# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/581e3d5a-9b13-4018-849c-a7837f597e0d/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 Li5GaO4 / Pbca (61) / materials id 774753](https://mdr.nims.go.jp/datasets/0af41896-33ef-47d7-935b-cae09a38e86a) ## 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: "Pbca" number: 61 Hall_symbol: "-P 2ac 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.950526800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.990760540000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.495358480000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.894406780000000, 0.170113130000000, 0.630340500000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.394406780000000, 0.170113130000000, 0.869659500000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.603379390000000, 0.114751840000000, 0.371100350000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.103379390000000, 0.114751840000000, 0.128899650000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.873686740000000, 0.147504430000000, 0.367821340000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.373686740000000, 0.147504430000000, 0.132178660000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.670661610000000, 0.120201380000000, 0.898521220000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.170661610000000, 0.120201380000000, 0.601478780000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.642957500000000, 0.093581250000000, 0.132342130000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.142957500000000, 0.093581250000000, 0.367657870000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.642957500000000, 0.406418750000000, 0.632342130000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.142957500000000, 0.406418750000000, 0.867657870000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.670661610000000, 0.379798620000000, 0.398521220000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.170661610000000, 0.379798620000000, 0.101478780000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.873686740000000, 0.352495570000000, 0.867821340000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.373686740000000, 0.352495570000000, 0.632178660000000 ] mass: 6.941000 - symbol: Li # 17 coordinates: [ 0.603379390000000, 0.385248160000000, 0.871100350000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.103379390000000, 0.385248160000000, 0.628899650000000 ] mass: 6.941000 - symbol: Li # 19 coordinates: [ 0.894406780000000, 0.329886870000000, 0.130340500000000 ] mass: 6.941000 - symbol: Li # 20 coordinates: [ 0.394406780000000, 0.329886870000000, 0.369659500000000 ] mass: 6.941000 - symbol: Li # 21 coordinates: [ 0.605593220000000, 0.670113130000000, 0.630340500000000 ] mass: 6.941000 - symbol: Li # 22 coordinates: [ 0.105593220000000, 0.670113130000000, 0.869659500000000 ] mass: 6.941000 - symbol: Li # 23 coordinates: [ 0.396620610000000, 0.614751840000000, 0.128899650000000 ] mass: 6.941000 - symbol: Li # 24 coordinates: [ 0.896620610000000, 0.614751840000000, 0.371100350000000 ] mass: 6.941000 - symbol: Li # 25 coordinates: [ 0.126313260000000, 0.647504430000000, 0.132178660000000 ] mass: 6.941000 - symbol: Li # 26 coordinates: [ 0.626313260000000, 0.647504430000000, 0.367821340000000 ] mass: 6.941000 - symbol: Li # 27 coordinates: [ 0.829338390000000, 0.620201380000000, 0.898521220000000 ] mass: 6.941000 - symbol: Li # 28 coordinates: [ 0.329338390000000, 0.620201380000000, 0.601478780000000 ] mass: 6.941000 - symbol: Li # 29 coordinates: [ 0.857042500000000, 0.593581250000000, 0.132342130000000 ] mass: 6.941000 - symbol: Li # 30 coordinates: [ 0.357042500000000, 0.593581250000000, 0.367657870000000 ] mass: 6.941000 - symbol: Li # 31 coordinates: [ 0.857042500000000, 0.906418750000000, 0.632342130000000 ] mass: 6.941000 - symbol: Li # 32 coordinates: [ 0.357042500000000, 0.906418750000000, 0.867657870000000 ] mass: 6.941000 - symbol: Li # 33 coordinates: [ 0.329338390000000, 0.879798620000000, 0.101478780000000 ] mass: 6.941000 - symbol: Li # 34 coordinates: [ 0.829338390000000, 0.879798620000000, 0.398521220000000 ] mass: 6.941000 - symbol: Li # 35 coordinates: [ 0.126313260000000, 0.852495570000000, 0.632178660000000 ] mass: 6.941000 - symbol: Li # 36 coordinates: [ 0.626313260000000, 0.852495570000000, 0.867821340000000 ] mass: 6.941000 - symbol: Li # 37 coordinates: [ 0.396620610000000, 0.885248160000000, 0.628899650000000 ] mass: 6.941000 - symbol: Li # 38 coordinates: [ 0.896620610000000, 0.885248160000000, 0.871100350000000 ] mass: 6.941000 - symbol: Li # 39 coordinates: [ 0.605593220000000, 0.829886870000000, 0.130340500000000 ] mass: 6.941000 - symbol: Li # 40 coordinates: [ 0.105593220000000, 0.829886870000000, 0.369659500000000 ] mass: 6.941000 - symbol: Ga # 41 coordinates: [ 0.614772970000000, 0.124543580000000, 0.633896400000000 ] mass: 69.723000 - symbol: Ga # 42 coordinates: [ 0.114772970000000, 0.124543580000000, 0.866103600000000 ] mass: 69.723000 - symbol: Ga # 43 coordinates: [ 0.614772970000000, 0.375456420000000, 0.133896400000000 ] mass: 69.723000 - symbol: Ga # 44 coordinates: [ 0.114772970000000, 0.375456420000000, 0.366103600000000 ] mass: 69.723000 - symbol: Ga # 45 coordinates: [ 0.885227030000000, 0.624543580000000, 0.633896400000000 ] mass: 69.723000 - symbol: Ga # 46 coordinates: [ 0.385227030000000, 0.624543580000000, 0.866103600000000 ] mass: 69.723000 - symbol: Ga # 47 coordinates: [ 0.885227030000000, 0.875456420000000, 0.133896400000000 ] mass: 69.723000 - symbol: Ga # 48 coordinates: [ 0.385227030000000, 0.875456420000000, 0.366103600000000 ] mass: 69.723000 - symbol: O # 49 coordinates: [ 0.510466220000000, 0.010467040000000, 0.761379120000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.010466220000000, 0.010467040000000, 0.738620880000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.752106440000000, 0.037095600000000, 0.511597340000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.252106440000000, 0.037095600000000, 0.988402660000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.729436910000000, 0.252893600000000, 0.750153460000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.229436910000000, 0.252893600000000, 0.749846540000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.025691430000000, 0.239272330000000, 0.486920980000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.525691430000000, 0.239272330000000, 0.013079020000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.525691430000000, 0.260727670000000, 0.513079020000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.025691430000000, 0.260727670000000, 0.986920980000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.729436910000000, 0.247106400000000, 0.250153460000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.229436910000000, 0.247106400000000, 0.249846540000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.752106440000000, 0.462904400000000, 0.011597340000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.252106440000000, 0.462904400000000, 0.488402660000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.510466220000000, 0.489532960000000, 0.261379120000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.010466220000000, 0.489532960000000, 0.238620880000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.989533780000000, 0.510467040000000, 0.761379120000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.489533780000000, 0.510467040000000, 0.738620880000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.747893560000000, 0.537095600000000, 0.511597340000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.247893560000000, 0.537095600000000, 0.988402660000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.770563090000000, 0.752893600000000, 0.750153460000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.270563090000000, 0.752893600000000, 0.749846540000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.974308570000000, 0.739272330000000, 0.013079020000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.474308570000000, 0.739272330000000, 0.486920980000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.474308570000000, 0.760727670000000, 0.986920980000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.974308570000000, 0.760727670000000, 0.513079020000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.770563090000000, 0.747106400000000, 0.250153460000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.270563090000000, 0.747106400000000, 0.249846540000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.747893560000000, 0.962904400000000, 0.011597340000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.247893560000000, 0.962904400000000, 0.488402660000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.989533780000000, 0.989532960000000, 0.261379120000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.489533780000000, 0.989532960000000, 0.238620880000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.111725267388731, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.111225295741221, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.105314612619028 ] # c*unit_cell: lattice: - [ 8.950526800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.990760540000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.495358480000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.894406780000000, 0.170113130000000, 0.630340500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.394406780000000, 0.170113130000000, 0.869659500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.603379390000000, 0.114751840000000, 0.371100350000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.103379390000000, 0.114751840000000, 0.128899650000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.873686740000000, 0.147504430000000, 0.367821340000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.373686740000000, 0.147504430000000, 0.132178660000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.670661610000000, 0.120201380000000, 0.898521220000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.170661610000000, 0.120201380000000, 0.601478780000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.642957500000000, 0.093581250000000, 0.132342130000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.142957500000000, 0.093581250000000, 0.367657870000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.642957500000000, 0.406418750000000, 0.632342130000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.142957500000000, 0.406418750000000, 0.867657870000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.670661610000000, 0.379798620000000, 0.398521220000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.170661610000000, 0.379798620000000, 0.101478780000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.873686740000000, 0.352495570000000, 0.867821340000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.373686740000000, 0.352495570000000, 0.632178660000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.603379390000000, 0.385248160000000, 0.871100350000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.103379390000000, 0.385248160000000, 0.628899650000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.894406780000000, 0.329886870000000, 0.130340500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.394406780000000, 0.329886870000000, 0.369659500000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.605593220000000, 0.670113130000000, 0.630340500000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.105593220000000, 0.670113130000000, 0.869659500000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.396620610000000, 0.614751840000000, 0.128899650000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.896620610000000, 0.614751840000000, 0.371100350000000 ] mass: 6.941000 reduced_to: 24 - symbol: Li # 25 coordinates: [ 0.126313260000000, 0.647504430000000, 0.132178660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.626313260000000, 0.647504430000000, 0.367821340000000 ] mass: 6.941000 reduced_to: 26 - symbol: Li # 27 coordinates: [ 0.829338390000000, 0.620201380000000, 0.898521220000000 ] mass: 6.941000 reduced_to: 27 - symbol: Li # 28 coordinates: [ 0.329338390000000, 0.620201380000000, 0.601478780000000 ] mass: 6.941000 reduced_to: 28 - symbol: Li # 29 coordinates: [ 0.857042500000000, 0.593581250000000, 0.132342130000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.357042500000000, 0.593581250000000, 0.367657870000000 ] mass: 6.941000 reduced_to: 30 - symbol: Li # 31 coordinates: [ 0.857042500000000, 0.906418750000000, 0.632342130000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.357042500000000, 0.906418750000000, 0.867657870000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 33 coordinates: [ 0.329338390000000, 0.879798620000000, 0.101478780000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.829338390000000, 0.879798620000000, 0.398521220000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 35 coordinates: [ 0.126313260000000, 0.852495570000000, 0.632178660000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.626313260000000, 0.852495570000000, 0.867821340000000 ] mass: 6.941000 reduced_to: 36 - symbol: Li # 37 coordinates: [ 0.396620610000000, 0.885248160000000, 0.628899650000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.896620610000000, 0.885248160000000, 0.871100350000000 ] mass: 6.941000 reduced_to: 38 - symbol: Li # 39 coordinates: [ 0.605593220000000, 0.829886870000000, 0.130340500000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 40 coordinates: [ 0.105593220000000, 0.829886870000000, 0.369659500000000 ] mass: 6.941000 reduced_to: 40 - symbol: Ga # 41 coordinates: [ 0.614772970000000, 0.124543580000000, 0.633896400000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 42 coordinates: [ 0.114772970000000, 0.124543580000000, 0.866103600000000 ] mass: 69.723000 reduced_to: 42 - symbol: Ga # 43 coordinates: [ 0.614772970000000, 0.375456420000000, 0.133896400000000 ] mass: 69.723000 reduced_to: 43 - symbol: Ga # 44 coordinates: [ 0.114772970000000, 0.375456420000000, 0.366103600000000 ] mass: 69.723000 reduced_to: 44 - symbol: Ga # 45 coordinates: [ 0.885227030000000, 0.624543580000000, 0.633896400000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 46 coordinates: [ 0.385227030000000, 0.624543580000000, 0.866103600000000 ] mass: 69.723000 reduced_to: 46 - symbol: Ga # 47 coordinates: [ 0.885227030000000, 0.875456420000000, 0.133896400000000 ] mass: 69.723000 reduced_to: 47 - symbol: Ga # 48 coordinates: [ 0.385227030000000, 0.875456420000000, 0.366103600000000 ] mass: 69.723000 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.510466220000000, 0.010467040000000, 0.761379120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.010466220000000, 0.010467040000000, 0.738620880000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.752106440000000, 0.037095600000000, 0.511597340000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.252106440000000, 0.037095600000000, 0.988402660000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.729436910000000, 0.252893600000000, 0.750153460000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.229436910000000, 0.252893600000000, 0.749846540000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.025691430000000, 0.239272330000000, 0.486920980000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.525691430000000, 0.239272330000000, 0.013079020000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.525691430000000, 0.260727670000000, 0.513079020000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.025691430000000, 0.260727670000000, 0.986920980000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.729436910000000, 0.247106400000000, 0.250153460000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.229436910000000, 0.247106400000000, 0.249846540000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.752106440000000, 0.462904400000000, 0.011597340000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.252106440000000, 0.462904400000000, 0.488402660000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.510466220000000, 0.489532960000000, 0.261379120000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.010466220000000, 0.489532960000000, 0.238620880000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.989533780000000, 0.510467040000000, 0.761379120000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.489533780000000, 0.510467040000000, 0.738620880000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.747893560000000, 0.537095600000000, 0.511597340000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.247893560000000, 0.537095600000000, 0.988402660000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.770563090000000, 0.752893600000000, 0.750153460000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.270563090000000, 0.752893600000000, 0.749846540000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.974308570000000, 0.739272330000000, 0.013079020000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.474308570000000, 0.739272330000000, 0.486920980000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.474308570000000, 0.760727670000000, 0.986920980000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.974308570000000, 0.760727670000000, 0.513079020000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.770563090000000, 0.747106400000000, 0.250153460000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.270563090000000, 0.747106400000000, 0.249846540000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.747893560000000, 0.962904400000000, 0.011597340000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.247893560000000, 0.962904400000000, 0.488402660000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.989533780000000, 0.989532960000000, 0.261379120000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.489533780000000, 0.989532960000000, 0.238620880000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 8.950526800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.990760540000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.495358480000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.894406780000000, 0.170113130000000, 0.630340500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.394406780000000, 0.170113130000000, 0.869659500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.603379390000000, 0.114751840000000, 0.371100350000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.103379390000000, 0.114751840000000, 0.128899650000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.873686740000000, 0.147504430000000, 0.367821340000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.373686740000000, 0.147504430000000, 0.132178660000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.670661610000000, 0.120201380000000, 0.898521220000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.170661610000000, 0.120201380000000, 0.601478780000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.642957500000000, 0.093581250000000, 0.132342130000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.142957500000000, 0.093581250000000, 0.367657870000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.642957500000000, 0.406418750000000, 0.632342130000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.142957500000000, 0.406418750000000, 0.867657870000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.670661610000000, 0.379798620000000, 0.398521220000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.170661610000000, 0.379798620000000, 0.101478780000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.873686740000000, 0.352495570000000, 0.867821340000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.373686740000000, 0.352495570000000, 0.632178660000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.603379390000000, 0.385248160000000, 0.871100350000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.103379390000000, 0.385248160000000, 0.628899650000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.894406780000000, 0.329886870000000, 0.130340500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.394406780000000, 0.329886870000000, 0.369659500000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.605593220000000, 0.670113130000000, 0.630340500000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.105593220000000, 0.670113130000000, 0.869659500000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.396620610000000, 0.614751840000000, 0.128899650000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.896620610000000, 0.614751840000000, 0.371100350000000 ] mass: 6.941000 reduced_to: 24 - symbol: Li # 25 coordinates: [ 0.126313260000000, 0.647504430000000, 0.132178660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.626313260000000, 0.647504430000000, 0.367821340000000 ] mass: 6.941000 reduced_to: 26 - symbol: Li # 27 coordinates: [ 0.829338390000000, 0.620201380000000, 0.898521220000000 ] mass: 6.941000 reduced_to: 27 - symbol: Li # 28 coordinates: [ 0.329338390000000, 0.620201380000000, 0.601478780000000 ] mass: 6.941000 reduced_to: 28 - symbol: Li # 29 coordinates: [ 0.857042500000000, 0.593581250000000, 0.132342130000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.357042500000000, 0.593581250000000, 0.367657870000000 ] mass: 6.941000 reduced_to: 30 - symbol: Li # 31 coordinates: [ 0.857042500000000, 0.906418750000000, 0.632342130000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.357042500000000, 0.906418750000000, 0.867657870000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 33 coordinates: [ 0.329338390000000, 0.879798620000000, 0.101478780000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.829338390000000, 0.879798620000000, 0.398521220000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 35 coordinates: [ 0.126313260000000, 0.852495570000000, 0.632178660000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.626313260000000, 0.852495570000000, 0.867821340000000 ] mass: 6.941000 reduced_to: 36 - symbol: Li # 37 coordinates: [ 0.396620610000000, 0.885248160000000, 0.628899650000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.896620610000000, 0.885248160000000, 0.871100350000000 ] mass: 6.941000 reduced_to: 38 - symbol: Li # 39 coordinates: [ 0.605593220000000, 0.829886870000000, 0.130340500000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 40 coordinates: [ 0.105593220000000, 0.829886870000000, 0.369659500000000 ] mass: 6.941000 reduced_to: 40 - symbol: Ga # 41 coordinates: [ 0.614772970000000, 0.124543580000000, 0.633896400000000 ] mass: 69.723000 reduced_to: 41 - symbol: Ga # 42 coordinates: [ 0.114772970000000, 0.124543580000000, 0.866103600000000 ] mass: 69.723000 reduced_to: 42 - symbol: Ga # 43 coordinates: [ 0.614772970000000, 0.375456420000000, 0.133896400000000 ] mass: 69.723000 reduced_to: 43 - symbol: Ga # 44 coordinates: [ 0.114772970000000, 0.375456420000000, 0.366103600000000 ] mass: 69.723000 reduced_to: 44 - symbol: Ga # 45 coordinates: [ 0.885227030000000, 0.624543580000000, 0.633896400000000 ] mass: 69.723000 reduced_to: 45 - symbol: Ga # 46 coordinates: [ 0.385227030000000, 0.624543580000000, 0.866103600000000 ] mass: 69.723000 reduced_to: 46 - symbol: Ga # 47 coordinates: [ 0.885227030000000, 0.875456420000000, 0.133896400000000 ] mass: 69.723000 reduced_to: 47 - symbol: Ga # 48 coordinates: [ 0.385227030000000, 0.875456420000000, 0.366103600000000 ] mass: 69.723000 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.510466220000000, 0.010467040000000, 0.761379120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.010466220000000, 0.010467040000000, 0.738620880000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.752106440000000, 0.037095600000000, 0.511597340000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.252106440000000, 0.037095600000000, 0.988402660000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.729436910000000, 0.252893600000000, 0.750153460000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.229436910000000, 0.252893600000000, 0.749846540000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.025691430000000, 0.239272330000000, 0.486920980000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.525691430000000, 0.239272330000000, 0.013079020000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.525691430000000, 0.260727670000000, 0.513079020000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.025691430000000, 0.260727670000000, 0.986920980000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.729436910000000, 0.247106400000000, 0.250153460000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.229436910000000, 0.247106400000000, 0.249846540000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.752106440000000, 0.462904400000000, 0.011597340000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.252106440000000, 0.462904400000000, 0.488402660000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.510466220000000, 0.489532960000000, 0.261379120000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.010466220000000, 0.489532960000000, 0.238620880000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.989533780000000, 0.510467040000000, 0.761379120000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.489533780000000, 0.510467040000000, 0.738620880000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.747893560000000, 0.537095600000000, 0.511597340000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.247893560000000, 0.537095600000000, 0.988402660000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.770563090000000, 0.752893600000000, 0.750153460000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.270563090000000, 0.752893600000000, 0.749846540000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.974308570000000, 0.739272330000000, 0.013079020000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.474308570000000, 0.739272330000000, 0.486920980000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.474308570000000, 0.760727670000000, 0.986920980000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.974308570000000, 0.760727670000000, 0.513079020000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.770563090000000, 0.747106400000000, 0.250153460000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.270563090000000, 0.747106400000000, 0.249846540000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.747893560000000, 0.962904400000000, 0.011597340000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.247893560000000, 0.962904400000000, 0.488402660000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.989533780000000, 0.989532960000000, 0.261379120000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.489533780000000, 0.989532960000000, 0.238620880000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0627213200000000, -0.0069873600000000, 0.0108504300000000 ] - [ 0.0018504900000000, -0.0006267800000000, -0.0002584500000000 ] - [ 0.0014787600000000, 0.0001640600000000, 0.0012110900000000 ] - [ 0.0002358900000000, 0.0000076400000000, 0.0004660000000000 ] - [ -0.0036347900000000, -0.0010874500000000, 0.0012983800000000 ] - [ 0.0010260000000000, -0.0003082900000000, 0.0003674200000000 ] - [ 0.0012278400000000, 0.0012631900000000, -0.0023087000000000 ] - [ 0.0117842000000000, -0.0025529100000000, -0.0014625300000000 ] - [ 0.0001557300000000, 0.0000637000000000, -0.0000788500000000 ] - [ 0.0010400200000000, -0.0011207800000000, -0.0012289000000000 ] - [ 0.0020786200000000, -0.0028224300000000, 0.0002066900000000 ] - [ 0.0000873900000000, 0.0009106300000000, 0.0006946900000000 ] - [ 0.0006420700000000, -0.0013494500000000, 0.0010648000000000 ] - [ 0.0008926100000000, -0.0000201600000000, 0.0000580400000000 ] - [ -0.0026876400000000, -0.0002483000000000, -0.0011407600000000 ] - [ 0.0021857100000000, 0.0002749700000000, -0.0001399000000000 ] - [ 0.0014979400000000, -0.0012109200000000, -0.0013263000000000 ] - [ 0.0035859300000000, 0.0052151300000000, 0.0004081300000000 ] - [ -0.0006870400000000, 0.0002575000000000, -0.0000958700000000 ] - [ 0.0014097700000000, 0.0000092400000000, 0.0002390500000000 ] - [ -0.0000428200000000, -0.0001110200000000, 0.0000785700000000 ] - [ -0.0000929200000000, -0.0004998000000000, -0.0000536700000000 ] - [ -0.0000400700000000, 0.0002800800000000, 0.0003963500000000 ] - [ -0.0009282200000000, 0.0006691000000000, -0.0002165100000000 ] - [ -0.0002091900000000, -0.0001130200000000, 0.0002514800000000 ] - [ -0.0002286500000000, -0.0001986200000000, -0.0001590000000000 ] - [ -0.0010877500000000, -0.0000012200000000, -0.0001954200000000 ] - [ -0.0001770800000000, 0.0004834700000000, 0.0003270800000000 ] - [ -0.0006474600000000, -0.0000271400000000, -0.0002598800000000 ] - [ 0.0003696500000000, 0.0000907300000000, 0.0000443600000000 ] - [ -0.0043844900000000, 0.0027663400000000, -0.0010003800000000 ] - [ 0.0008320400000000, 0.0001266600000000, -0.0001769800000000 ] - [ -0.0002700800000000, -0.0004062500000000, 0.0002874700000000 ] - [ -0.0018185800000000, 0.0008357700000000, 0.0007210100000000 ] - [ 0.0003557700000000, -0.0010015800000000, -0.0000512500000000 ] - [ -0.0005212900000000, 0.0008053200000000, -0.0007613200000000 ] - [ 0.0006420200000000, 0.0000061900000000, 0.0006477500000000 ] - [ -0.0015640200000000, -0.0005338300000000, -0.0001066000000000 ] - [ -0.0001651300000000, 0.0003109100000000, 0.0002392400000000 ] - [ -0.0003553200000000, 0.0001148300000000, -0.0002813700000000 ] - [ 0.0272578700000000, 0.0049863200000000, -0.0007627200000000 ] - [ 0.0036881500000000, -0.0009529400000000, 0.0074696200000000 ] - [ 0.0003945500000000, 0.0002001000000000, -0.0005679300000000 ] - [ 0.0029996000000000, 0.0031160900000000, -0.0024713900000000 ] - [ -0.0018919900000000, -0.0006176600000000, -0.0007000400000000 ] - [ 0.0009855300000000, -0.0006048100000000, 0.0000215500000000 ] - [ -0.0011554300000000, 0.0006467800000000, 0.0001142400000000 ] - [ 0.0015883400000000, 0.0004711400000000, 0.0000858600000000 ] - [ -0.0030318300000000, -0.0014019400000000, 0.0009082800000000 ] - [ 0.0068844700000000, 0.0007726100000000, -0.0005335600000000 ] - [ 0.0031890100000000, -0.0025266100000000, -0.0025132000000000 ] - [ -0.0020740100000000, 0.0007688900000000, -0.0013707700000000 ] - [ 0.0067983300000000, -0.0006849600000000, -0.0006804100000000 ] - [ -0.0042713600000000, -0.0008184600000000, -0.0016870000000000 ] - [ 0.0132739900000000, 0.0034690200000000, -0.0069582200000000 ] - [ -0.0008308400000000, 0.0003113500000000, 0.0012503300000000 ] - [ -0.0032070900000000, 0.0012696200000000, -0.0015215400000000 ] - [ 0.0013648900000000, -0.0008944300000000, -0.0012520600000000 ] - [ 0.0007968300000000, 0.0007219800000000, -0.0012808600000000 ] - [ -0.0016927200000000, 0.0002594600000000, 0.0014245800000000 ] - [ -0.0000523500000000, 0.0004713500000000, 0.0013344100000000 ] - [ -0.0028982800000000, -0.0014994400000000, -0.0003298800000000 ] - [ -0.0005886800000000, -0.0000325200000000, -0.0007416700000000 ] - [ 0.0004698300000000, -0.0017350700000000, 0.0019541400000000 ] - [ 0.0016506500000000, -0.0010049900000000, -0.0010374700000000 ] - [ -0.0015484900000000, 0.0011541600000000, 0.0009319400000000 ] - [ 0.0015229500000000, 0.0014966900000000, -0.0001216100000000 ] - [ -0.0000149900000000, -0.0001600800000000, -0.0002855100000000 ] - [ 0.0011732100000000, -0.0004707400000000, 0.0001250600000000 ] - [ -0.0011464000000000, 0.0002776200000000, 0.0002482800000000 ] - [ 0.0002601800000000, 0.0002632900000000, -0.0001288500000000 ] - [ -0.0014800000000000, 0.0000262200000000, -0.0005639300000000 ] - [ -0.0007988500000000, -0.0003484000000000, -0.0000813300000000 ] - [ 0.0009308800000000, -0.0001192300000000, 0.0005477100000000 ] - [ 0.0005648800000000, -0.0002646700000000, -0.0008258000000000 ] - [ -0.0005068400000000, 0.0000099200000000, 0.0004188200000000 ] - [ 0.0014140700000000, -0.0007426800000000, 0.0007887500000000 ] - [ -0.0012902500000000, 0.0009457500000000, 0.0004229200000000 ] - [ 0.0012772900000000, 0.0004439500000000, -0.0004853900000000 ] - [ -0.0011196700000000, -0.0006308300000000, 0.0002992500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0636321100000000, 0.0063751100000000, -0.0103562000000000 ] - [ -0.0013751500000000, 0.0000765400000000, -0.0000406800000000 ] - [ -0.0008320800000000, 0.0003969300000000, -0.0020120800000000 ] - [ 0.0004226800000000, 0.0005610200000000, 0.0003425800000000 ] - [ 0.0043868100000000, 0.0004802800000000, -0.0019028000000000 ] - [ -0.0002954900000000, -0.0002938900000000, 0.0003068300000000 ] - [ -0.0000095100000000, -0.0007591400000000, 0.0019866800000000 ] - [ -0.0103762400000000, 0.0029895900000000, 0.0017459500000000 ] - [ 0.0000166700000000, -0.0002352200000000, -0.0002145500000000 ] - [ -0.0008618000000000, 0.0009466200000000, 0.0015086900000000 ] - [ -0.0019150300000000, 0.0030269500000000, -0.0004958600000000 ] - [ 0.0000823500000000, -0.0007227500000000, -0.0003982600000000 ] - [ 0.0005780200000000, 0.0008608300000000, -0.0013958100000000 ] - [ 0.0003280300000000, -0.0004743500000000, 0.0002684200000000 ] - [ 0.0034362500000000, 0.0008419400000000, 0.0004388200000000 ] - [ -0.0014414100000000, 0.0003460300000000, 0.0008014000000000 ] - [ -0.0008378900000000, 0.0006398200000000, 0.0005190600000000 ] - [ -0.0029242300000000, -0.0057204200000000, 0.0003820200000000 ] - [ 0.0011482600000000, 0.0002827300000000, 0.0004064800000000 ] - [ -0.0009416600000000, 0.0005350100000000, -0.0005493500000000 ] - [ -0.0004289700000000, -0.0004322300000000, 0.0002272100000000 ] - [ -0.0003811100000000, -0.0000356900000000, -0.0002612800000000 ] - [ -0.0006150300000000, 0.0002903900000000, 0.0004092800000000 ] - [ 0.0002686200000000, -0.0000957700000000, -0.0005912300000000 ] - [ -0.0005274800000000, -0.0005024000000000, 0.0004077800000000 ] - [ -0.0004957600000000, -0.0004064100000000, -0.0005057600000000 ] - [ -0.0001217100000000, 0.0005144100000000, -0.0001306400000000 ] - [ -0.0010350100000000, 0.0000247000000000, -0.0000075400000000 ] - [ 0.0004767800000000, -0.0001481800000000, -0.0000335100000000 ] - [ -0.0005473100000000, -0.0002639600000000, 0.0002541300000000 ] - [ 0.0042350000000000, -0.0025211400000000, 0.0007037700000000 ] - [ -0.0010242300000000, 0.0000448700000000, 0.0004641900000000 ] - [ -0.0009436800000000, -0.0000957700000000, 0.0000373200000000 ] - [ 0.0006145700000000, -0.0013399500000000, -0.0010416500000000 ] - [ -0.0010872600000000, 0.0015974400000000, 0.0007246000000000 ] - [ -0.0002022200000000, -0.0002038700000000, 0.0000928100000000 ] - [ -0.0013038400000000, -0.0005819100000000, 0.0001648200000000 ] - [ 0.0009049700000000, -0.0000364300000000, -0.0007079800000000 ] - [ -0.0003054800000000, 0.0002200900000000, 0.0000745300000000 ] - [ -0.0001218400000000, 0.0004262600000000, -0.0000235400000000 ] - [ -0.0277409700000000, -0.0063216000000000, 0.0002595100000000 ] - [ -0.0036691400000000, -0.0002998100000000, -0.0068847500000000 ] - [ -0.0003672300000000, 0.0010051500000000, 0.0000404100000000 ] - [ -0.0029816900000000, -0.0019233900000000, 0.0030013000000000 ] - [ 0.0018741800000000, -0.0005958100000000, 0.0001797200000000 ] - [ -0.0010048000000000, -0.0005973000000000, 0.0004951500000000 ] - [ 0.0011463100000000, 0.0005621700000000, -0.0006421800000000 ] - [ -0.0016163100000000, 0.0007179300000000, 0.0004265700000000 ] - [ 0.0029727700000000, 0.0020422700000000, -0.0021127600000000 ] - [ -0.0067494700000000, -0.0002417800000000, 0.0018907800000000 ] - [ -0.0044512900000000, 0.0027816300000000, 0.0030904200000000 ] - [ 0.0009825400000000, -0.0003197200000000, 0.0006075300000000 ] - [ -0.0070211000000000, 0.0007940900000000, 0.0003388600000000 ] - [ 0.0044021900000000, 0.0006683300000000, 0.0023561400000000 ] - [ -0.0123290400000000, -0.0029807700000000, 0.0060946400000000 ] - [ 0.0014832700000000, 0.0000004500000000, -0.0008053400000000 ] - [ 0.0038435900000000, -0.0015511900000000, 0.0019314700000000 ] - [ -0.0006994500000000, 0.0005704800000000, 0.0007945600000000 ] - [ -0.0006147000000000, -0.0006012100000000, 0.0005867900000000 ] - [ 0.0019256600000000, -0.0001835500000000, -0.0008012900000000 ] - [ -0.0010145900000000, -0.0008979900000000, -0.0005838000000000 ] - [ 0.0018925500000000, 0.0011107000000000, -0.0003618500000000 ] - [ 0.0005568700000000, -0.0006270400000000, -0.0004875300000000 ] - [ -0.0005497100000000, 0.0011169200000000, -0.0007892400000000 ] - [ -0.0015980000000000, 0.0016466600000000, -0.0001590300000000 ] - [ 0.0015979400000000, -0.0005122300000000, 0.0002738500000000 ] - [ -0.0004777600000000, -0.0010875500000000, 0.0008335400000000 ] - [ 0.0010573300000000, 0.0005525700000000, -0.0004217100000000 ] - [ -0.0013795200000000, 0.0003691200000000, -0.0007980800000000 ] - [ 0.0009495700000000, -0.0003748900000000, 0.0004099600000000 ] - [ -0.0008813500000000, 0.0000059900000000, 0.0005356400000000 ] - [ 0.0008116200000000, 0.0003224600000000, 0.0000887700000000 ] - [ 0.0001637500000000, 0.0000498700000000, -0.0003389400000000 ] - [ -0.0015834900000000, -0.0001779400000000, -0.0001307600000000 ] - [ -0.0007786500000000, 0.0003323700000000, 0.0001936800000000 ] - [ 0.0003598500000000, 0.0001418800000000, 0.0002974500000000 ] - [ -0.0004010500000000, 0.0003701300000000, -0.0000963300000000 ] - [ 0.0023927000000000, -0.0013657000000000, -0.0011807000000000 ] - [ -0.0012114100000000, -0.0010611100000000, -0.0006915200000000 ] - [ 0.0011283500000000, -0.0000486700000000, 0.0009603800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0064673400000000, -0.0378122200000000, 0.0034597700000000 ] - [ -0.0000848400000000, -0.0008229100000000, 0.0000465400000000 ] - [ 0.0009043400000000, -0.0005673500000000, 0.0001989200000000 ] - [ 0.0003280000000000, -0.0001665700000000, 0.0000858500000000 ] - [ -0.0002607000000000, -0.0036806000000000, 0.0006885200000000 ] - [ 0.0003602600000000, -0.0007582900000000, 0.0001447300000000 ] - [ 0.0010209100000000, -0.0007790700000000, -0.0001823100000000 ] - [ -0.0020194300000000, -0.0026361100000000, 0.0013958100000000 ] - [ 0.0000695000000000, -0.0005177600000000, -0.0000201500000000 ] - [ -0.0000734200000000, -0.0012282100000000, 0.0001636200000000 ] - [ -0.0028751600000000, 0.0016105100000000, 0.0000424300000000 ] - [ 0.0007187500000000, -0.0000500500000000, 0.0008719200000000 ] - [ -0.0005759400000000, -0.0001472300000000, -0.0011548600000000 ] - [ 0.0005605100000000, -0.0002450300000000, -0.0000483000000000 ] - [ -0.0001792600000000, 0.0016828700000000, 0.0042944700000000 ] - [ 0.0005055400000000, 0.0003617400000000, 0.0003664600000000 ] - [ -0.0000968600000000, 0.0001676700000000, -0.0000629300000000 ] - [ 0.0066524900000000, 0.0035153100000000, 0.0001054000000000 ] - [ 0.0002668000000000, 0.0002196600000000, -0.0000170000000000 ] - [ 0.0005243500000000, 0.0002442500000000, -0.0001928500000000 ] - [ -0.0003884700000000, 0.0003172800000000, 0.0003814100000000 ] - [ 0.0000044900000000, 0.0006314100000000, 0.0001079500000000 ] - [ -0.0003428500000000, 0.0004454300000000, 0.0004572600000000 ] - [ -0.0001285000000000, 0.0009517400000000, -0.0007020700000000 ] - [ -0.0003669800000000, -0.0000650200000000, 0.0002723500000000 ] - [ -0.0005812700000000, 0.0001440700000000, -0.0006240000000000 ] - [ -0.0009264200000000, 0.0008791800000000, 0.0001960800000000 ] - [ -0.0004471500000000, 0.0005903100000000, 0.0001681300000000 ] - [ -0.0000782200000000, 0.0001698300000000, -0.0001974700000000 ] - [ 0.0000445400000000, 0.0001762800000000, 0.0001044300000000 ] - [ 0.0023656900000000, 0.0148971600000000, -0.0003770100000000 ] - [ -0.0004377200000000, 0.0004248900000000, 0.0001015700000000 ] - [ -0.0006404900000000, 0.0000513800000000, 0.0000487300000000 ] - [ -0.0006928200000000, 0.0012798500000000, 0.0011417100000000 ] - [ -0.0015008800000000, 0.0019385800000000, 0.0007560700000000 ] - [ -0.0001210600000000, 0.0005116500000000, -0.0005035000000000 ] - [ -0.0002789100000000, -0.0000460200000000, 0.0004079800000000 ] - [ 0.0001984800000000, 0.0012493900000000, -0.0018183000000000 ] - [ -0.0001778100000000, 0.0005079900000000, 0.0002078400000000 ] - [ -0.0004209800000000, 0.0005468700000000, 0.0000796700000000 ] - [ 0.0053058000000000, -0.0088085200000000, -0.0039796900000000 ] - [ -0.0027677900000000, -0.0065253700000000, -0.0023441300000000 ] - [ -0.0000760600000000, 0.0005586700000000, -0.0000976100000000 ] - [ 0.0017264500000000, 0.0026077000000000, -0.0020305600000000 ] - [ -0.0003136500000000, 0.0042683700000000, -0.0008597000000000 ] - [ -0.0000696300000000, 0.0000550300000000, 0.0002492300000000 ] - [ -0.0000263300000000, 0.0010768100000000, -0.0004248600000000 ] - [ 0.0002675000000000, 0.0011528700000000, 0.0004482500000000 ] - [ 0.0000901500000000, 0.0016763900000000, 0.0000860400000000 ] - [ 0.0020541000000000, 0.0075974100000000, 0.0027100100000000 ] - [ -0.0044551200000000, 0.0061407000000000, -0.0012427800000000 ] - [ 0.0006070000000000, 0.0007792500000000, 0.0007994900000000 ] - [ -0.0004313700000000, 0.0090641400000000, 0.0014844300000000 ] - [ -0.0003116500000000, 0.0023984500000000, -0.0009207100000000 ] - [ 0.0036064000000000, 0.0088782000000000, -0.0043255300000000 ] - [ 0.0006757000000000, 0.0004835200000000, -0.0002316900000000 ] - [ 0.0003941800000000, 0.0018755300000000, 0.0008071000000000 ] - [ -0.0000900100000000, 0.0015706900000000, -0.0001067000000000 ] - [ 0.0004974800000000, 0.0010019100000000, -0.0002564400000000 ] - [ -0.0006240200000000, 0.0005265700000000, 0.0014311000000000 ] - [ -0.0002158500000000, -0.0003752000000000, -0.0002439500000000 ] - [ -0.0012507900000000, -0.0008333300000000, -0.0000567500000000 ] - [ 0.0000555400000000, -0.0005016600000000, -0.0004294200000000 ] - [ -0.0000521500000000, -0.0009372300000000, 0.0011773800000000 ] - [ -0.0007145100000000, -0.0041326900000000, -0.0019704600000000 ] - [ 0.0003331100000000, -0.0001718300000000, 0.0004323500000000 ] - [ 0.0012248400000000, -0.0027778000000000, 0.0009076400000000 ] - [ 0.0003544900000000, -0.0000526900000000, -0.0005907600000000 ] - [ -0.0001926400000000, -0.0028313400000000, -0.0002835800000000 ] - [ 0.0003400400000000, -0.0013680200000000, 0.0005393300000000 ] - [ -0.0003408000000000, -0.0008175300000000, 0.0003676100000000 ] - [ -0.0003580800000000, -0.0006642200000000, -0.0002290100000000 ] - [ -0.0003629500000000, -0.0006045300000000, -0.0003373000000000 ] - [ -0.0002137900000000, -0.0030035100000000, 0.0000504500000000 ] - [ -0.0001657000000000, -0.0006129100000000, -0.0003446300000000 ] - [ -0.0001652000000000, -0.0002858300000000, 0.0003041700000000 ] - [ 0.0001292200000000, -0.0001373000000000, 0.0008741000000000 ] - [ 0.0011179700000000, 0.0000680800000000, -0.0011485900000000 ] - [ 0.0004092800000000, 0.0000124800000000, -0.0009392800000000 ] - [ -0.0003522600000000, -0.0003440800000000, 0.0003306100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0068957200000000, 0.0379541200000000, -0.0032867200000000 ] - [ 0.0005949300000000, 0.0002350000000000, -0.0003165400000000 ] - [ -0.0002602200000000, 0.0011168500000000, -0.0010369800000000 ] - [ 0.0003191100000000, 0.0007131700000000, 0.0008034800000000 ] - [ 0.0010367500000000, 0.0030429800000000, -0.0012870000000000 ] - [ 0.0003888200000000, 0.0001376000000000, 0.0005135100000000 ] - [ 0.0001655000000000, 0.0012954700000000, -0.0001321500000000 ] - [ 0.0031254200000000, 0.0031828500000000, -0.0010728900000000 ] - [ 0.0000495300000000, 0.0002893100000000, -0.0003258200000000 ] - [ 0.0001420100000000, 0.0010462700000000, 0.0000996500000000 ] - [ 0.0029737100000000, -0.0014117200000000, -0.0003325200000000 ] - [ -0.0005733200000000, 0.0002819100000000, -0.0005332100000000 ] - [ 0.0017311200000000, -0.0003178500000000, 0.0008678000000000 ] - [ 0.0006353500000000, -0.0002261600000000, 0.0003492300000000 ] - [ 0.0008758300000000, -0.0010794900000000, -0.0049337400000000 ] - [ 0.0002606100000000, 0.0002875900000000, 0.0002570100000000 ] - [ 0.0007607300000000, -0.0007485000000000, -0.0008056400000000 ] - [ -0.0059270300000000, -0.0040510200000000, 0.0007287200000000 ] - [ 0.0002227800000000, 0.0003805800000000, 0.0003136800000000 ] - [ -0.0000163600000000, 0.0003333600000000, -0.0000974700000000 ] - [ -0.0000825200000000, -0.0008844600000000, -0.0000508700000000 ] - [ -0.0004687800000000, -0.0012211300000000, -0.0003724100000000 ] - [ -0.0003072100000000, 0.0000801800000000, 0.0004130400000000 ] - [ -0.0005219100000000, -0.0003999600000000, -0.0001707800000000 ] - [ -0.0004015800000000, -0.0005897100000000, 0.0003724200000000 ] - [ -0.0001728700000000, -0.0007940900000000, -0.0000572500000000 ] - [ -0.0002701400000000, -0.0003958200000000, -0.0004918300000000 ] - [ -0.0007302600000000, -0.0001315100000000, 0.0001335700000000 ] - [ -0.0000457200000000, -0.0003958500000000, -0.0001102900000000 ] - [ -0.0001459800000000, -0.0004054400000000, 0.0002004400000000 ] - [ -0.0025561400000000, -0.0149755200000000, 0.0000741200000000 ] - [ 0.0003214300000000, -0.0001929900000000, 0.0002034000000000 ] - [ -0.0005591100000000, -0.0005030100000000, 0.0002566900000000 ] - [ -0.0004921100000000, -0.0017444500000000, -0.0014484700000000 ] - [ 0.0007183100000000, -0.0013239300000000, -0.0000950900000000 ] - [ -0.0006039800000000, 0.0001179100000000, -0.0001905100000000 ] - [ -0.0003352900000000, -0.0004961000000000, 0.0004544500000000 ] - [ -0.0008701400000000, -0.0018205900000000, 0.0009672800000000 ] - [ -0.0002842500000000, 0.0000710300000000, 0.0001141500000000 ] - [ -0.0000838000000000, 0.0000399300000000, -0.0003895700000000 ] - [ -0.0051828700000000, 0.0076552000000000, 0.0034864700000000 ] - [ 0.0027645200000000, 0.0053071000000000, 0.0028117900000000 ] - [ 0.0000640400000000, 0.0006785800000000, -0.0004025900000000 ] - [ -0.0017280500000000, -0.0013949200000000, 0.0025108200000000 ] - [ 0.0002821900000000, -0.0054409900000000, 0.0003402900000000 ] - [ 0.0000540800000000, -0.0013212000000000, 0.0002553200000000 ] - [ 0.0000202900000000, 0.0001783900000000, -0.0000529900000000 ] - [ -0.0002801700000000, 0.0000784400000000, 0.0000151400000000 ] - [ -0.0001012500000000, -0.0010167300000000, -0.0012319600000000 ] - [ -0.0017939900000000, -0.0072066800000000, -0.0012639300000000 ] - [ 0.0033091200000000, -0.0060292000000000, 0.0017969300000000 ] - [ -0.0016725200000000, -0.0004329300000000, -0.0015794100000000 ] - [ 0.0005679300000000, -0.0092030900000000, -0.0020418800000000 ] - [ 0.0005389300000000, -0.0026067400000000, 0.0016132000000000 ] - [ -0.0029320000000000, -0.0086755200000000, 0.0038627500000000 ] - [ -0.0000733200000000, -0.0002653000000000, 0.0005989000000000 ] - [ 0.0002272100000000, -0.0021089200000000, -0.0004244900000000 ] - [ 0.0007236300000000, -0.0018758700000000, -0.0003649800000000 ] - [ -0.0001702800000000, -0.0008636700000000, -0.0003279300000000 ] - [ 0.0009281600000000, -0.0003915300000000, -0.0007988600000000 ] - [ -0.0007119200000000, 0.0001017400000000, 0.0008854200000000 ] - [ 0.0003071000000000, 0.0005628000000000, -0.0005759500000000 ] - [ -0.0000818900000000, -0.0001479000000000, -0.0006694900000000 ] - [ 0.0000089300000000, 0.0002818500000000, -0.0000557400000000 ] - [ 0.0007077900000000, 0.0047762500000000, 0.0007954500000000 ] - [ -0.0004157000000000, 0.0009663500000000, 0.0008135200000000 ] - [ -0.0002112500000000, 0.0030691900000000, -0.0001889100000000 ] - [ 0.0007222800000000, 0.0004650100000000, -0.0002561500000000 ] - [ -0.0000642800000000, 0.0026370500000000, -0.0003812700000000 ] - [ -0.0005463600000000, 0.0011000500000000, 0.0002100800000000 ] - [ -0.0002626400000000, 0.0010345400000000, 0.0000111400000000 ] - [ -0.0002584700000000, 0.0009389700000000, -0.0002045900000000 ] - [ -0.0002988300000000, 0.0002943300000000, -0.0001632200000000 ] - [ -0.0004118900000000, 0.0027679400000000, 0.0003788800000000 ] - [ -0.0001256800000000, 0.0007845100000000, -0.0003005400000000 ] - [ -0.0000797500000000, 0.0005013000000000, 0.0003868600000000 ] - [ 0.0008575900000000, -0.0001859400000000, -0.0001882700000000 ] - [ -0.0000971300000000, -0.0003866700000000, 0.0004418700000000 ] - [ -0.0004200100000000, -0.0007175500000000, -0.0002219600000000 ] - [ 0.0003275200000000, -0.0004050500000000, 0.0008953800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0106399700000000, 0.0030013800000000, -0.0431579400000000 ] - [ 0.0003375200000000, -0.0004311400000000, 0.0001910500000000 ] - [ 0.0013289300000000, 0.0001325800000000, 0.0004629500000000 ] - [ 0.0003700700000000, 0.0000953200000000, 0.0016260800000000 ] - [ 0.0016093000000000, 0.0014172300000000, 0.0114680100000000 ] - [ 0.0003639700000000, -0.0001306900000000, 0.0009738300000000 ] - [ -0.0013217100000000, -0.0003466300000000, 0.0017303700000000 ] - [ -0.0007878400000000, 0.0013418000000000, -0.0036816800000000 ] - [ 0.0000762900000000, 0.0000648100000000, 0.0005383900000000 ] - [ -0.0012931900000000, 0.0010624300000000, 0.0015229100000000 ] - [ 0.0001687300000000, 0.0005451100000000, -0.0018751000000000 ] - [ 0.0005463100000000, 0.0007856600000000, 0.0003266400000000 ] - [ 0.0019199800000000, -0.0012399300000000, 0.0003927800000000 ] - [ 0.0008667900000000, 0.0000353900000000, 0.0011041300000000 ] - [ -0.0004309600000000, 0.0049403200000000, 0.0042218800000000 ] - [ 0.0001163300000000, 0.0005699500000000, -0.0008208500000000 ] - [ -0.0002080700000000, 0.0002735800000000, 0.0004267200000000 ] - [ 0.0005554900000000, -0.0002352600000000, -0.0030685700000000 ] - [ -0.0000277400000000, 0.0004287600000000, 0.0014870900000000 ] - [ -0.0001647800000000, 0.0002112300000000, 0.0000475400000000 ] - [ -0.0001464000000000, -0.0000596500000000, -0.0004679300000000 ] - [ -0.0001245400000000, -0.0004840200000000, 0.0001541300000000 ] - [ -0.0003436600000000, 0.0002501000000000, 0.0007612100000000 ] - [ -0.0001561600000000, -0.0001719100000000, -0.0003470000000000 ] - [ -0.0004969200000000, -0.0004379700000000, 0.0007984700000000 ] - [ -0.0003249300000000, -0.0002077300000000, -0.0001513600000000 ] - [ -0.0006631200000000, 0.0004489000000000, 0.0000883400000000 ] - [ -0.0006824800000000, 0.0000536300000000, -0.0005370300000000 ] - [ 0.0001281200000000, -0.0001720100000000, 0.0003275700000000 ] - [ -0.0002546100000000, -0.0002666300000000, 0.0003727400000000 ] - [ -0.0008900000000000, -0.0003130800000000, -0.0045860400000000 ] - [ 0.0002762400000000, -0.0001115300000000, 0.0002763300000000 ] - [ -0.0005484600000000, -0.0003980800000000, 0.0006509700000000 ] - [ -0.0007508700000000, 0.0011076800000000, 0.0007030500000000 ] - [ 0.0000295200000000, -0.0002397000000000, -0.0009958400000000 ] - [ -0.0005169800000000, 0.0000949900000000, -0.0003028500000000 ] - [ -0.0000026700000000, -0.0002962800000000, -0.0002974300000000 ] - [ -0.0007520900000000, -0.0019454200000000, 0.0007927400000000 ] - [ -0.0003098200000000, 0.0002253400000000, 0.0005709200000000 ] - [ -0.0003530300000000, 0.0005021800000000, -0.0001452300000000 ] - [ -0.0001915000000000, -0.0046042000000000, -0.0109174800000000 ] - [ 0.0074045700000000, -0.0009253800000000, 0.0063995200000000 ] - [ 0.0002870200000000, 0.0001311700000000, 0.0014832700000000 ] - [ -0.0031030100000000, -0.0024063300000000, 0.0043873700000000 ] - [ -0.0005395800000000, -0.0006542600000000, -0.0026115000000000 ] - [ 0.0000522300000000, -0.0005686600000000, 0.0006165100000000 ] - [ 0.0007102200000000, 0.0007305200000000, 0.0016454800000000 ] - [ 0.0002366700000000, 0.0007800600000000, 0.0006824600000000 ] - [ 0.0002059800000000, 0.0015323200000000, 0.0008232400000000 ] - [ -0.0011996700000000, 0.0004938100000000, 0.0067043600000000 ] - [ -0.0040481900000000, -0.0013659900000000, 0.0076183400000000 ] - [ -0.0015790600000000, 0.0004969900000000, -0.0018527400000000 ] - [ 0.0004228000000000, 0.0017160200000000, 0.0092820900000000 ] - [ -0.0017631700000000, -0.0011722900000000, 0.0016685600000000 ] - [ -0.0060248000000000, -0.0035579100000000, 0.0139585100000000 ] - [ 0.0003486900000000, -0.0000796900000000, -0.0013027000000000 ] - [ -0.0000884100000000, 0.0006149700000000, 0.0024588300000000 ] - [ -0.0009771900000000, -0.0008821500000000, -0.0030740800000000 ] - [ -0.0011587900000000, 0.0007338300000000, -0.0026051600000000 ] - [ 0.0012593000000000, -0.0002470300000000, -0.0020621300000000 ] - [ -0.0001406500000000, -0.0004889100000000, -0.0011352300000000 ] - [ 0.0016188800000000, 0.0016258200000000, 0.0005090800000000 ] - [ 0.0000490900000000, -0.0001716400000000, -0.0011504700000000 ] - [ -0.0000870700000000, 0.0007531700000000, -0.0014052000000000 ] - [ -0.0003720500000000, -0.0016394200000000, 0.0004962400000000 ] - [ 0.0004225800000000, -0.0003230100000000, 0.0010535000000000 ] - [ 0.0000970400000000, 0.0011686200000000, 0.0015138500000000 ] - [ 0.0004261600000000, -0.0000204800000000, -0.0009448900000000 ] - [ 0.0004629700000000, 0.0003835400000000, 0.0006090700000000 ] - [ -0.0006371200000000, 0.0004500900000000, 0.0006474800000000 ] - [ -0.0002638000000000, 0.0003088000000000, -0.0009077200000000 ] - [ -0.0005591200000000, -0.0001175700000000, 0.0000444800000000 ] - [ -0.0003575700000000, -0.0000842600000000, -0.0006165900000000 ] - [ 0.0000503600000000, -0.0004683600000000, 0.0014623300000000 ] - [ -0.0001679300000000, -0.0000026900000000, -0.0011054300000000 ] - [ -0.0000146200000000, 0.0001081200000000, -0.0001272600000000 ] - [ 0.0006708000000000, 0.0005646200000000, -0.0013648100000000 ] - [ 0.0009207300000000, -0.0009419300000000, 0.0004476000000000 ] - [ 0.0000690800000000, -0.0015211500000000, -0.0027173400000000 ] - [ -0.0002243900000000, -0.0004498400000000, -0.0001935400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0105640400000000, -0.0037439500000000, 0.0441417800000000 ] - [ 0.0001363100000000, -0.0000937200000000, -0.0004911800000000 ] - [ -0.0006873600000000, 0.0004292200000000, -0.0012642400000000 ] - [ 0.0002794200000000, 0.0004684400000000, -0.0008152400000000 ] - [ -0.0008999900000000, -0.0020533600000000, -0.0123550500000000 ] - [ 0.0003650400000000, -0.0004595200000000, -0.0003094100000000 ] - [ 0.0025360900000000, 0.0008697800000000, -0.0020579400000000 ] - [ 0.0019745500000000, -0.0008147000000000, 0.0040292000000000 ] - [ 0.0001008400000000, -0.0002361100000000, -0.0008328000000000 ] - [ 0.0014844900000000, -0.0012308200000000, -0.0012375800000000 ] - [ 0.0000211700000000, -0.0003833600000000, 0.0015855900000000 ] - [ -0.0003737900000000, -0.0006058300000000, -0.0000389600000000 ] - [ -0.0006928100000000, 0.0007337300000000, -0.0007234300000000 ] - [ 0.0003775700000000, -0.0005499400000000, -0.0007726300000000 ] - [ 0.0011368300000000, -0.0042648800000000, -0.0048500000000000 ] - [ 0.0006166700000000, 0.0000335400000000, 0.0014791400000000 ] - [ 0.0008523100000000, -0.0008441600000000, -0.0012391200000000 ] - [ 0.0000536100000000, -0.0003564700000000, 0.0038726100000000 ] - [ 0.0004940300000000, 0.0001004000000000, -0.0011850300000000 ] - [ 0.0006378200000000, 0.0003104600000000, -0.0003462800000000 ] - [ -0.0003217300000000, -0.0004624700000000, 0.0007693400000000 ] - [ -0.0003424500000000, -0.0000333000000000, -0.0004597300000000 ] - [ -0.0002989300000000, 0.0003136500000000, 0.0000455100000000 ] - [ -0.0004877600000000, 0.0007347700000000, -0.0004566800000000 ] - [ -0.0002395400000000, -0.0001670000000000, -0.0001372000000000 ] - [ -0.0004088700000000, -0.0003948800000000, -0.0005099800000000 ] - [ -0.0005749300000000, 0.0000672000000000, -0.0004193100000000 ] - [ -0.0005564800000000, 0.0004612700000000, 0.0008629700000000 ] - [ -0.0003042600000000, 0.0000000000000000, -0.0006242200000000 ] - [ 0.0000824600000000, 0.0000906400000000, -0.0000753600000000 ] - [ 0.0007240500000000, 0.0005610300000000, 0.0042876500000000 ] - [ -0.0004539200000000, 0.0002828200000000, 0.0000113500000000 ] - [ -0.0006888500000000, -0.0001164900000000, -0.0003269300000000 ] - [ -0.0004918800000000, -0.0016260500000000, -0.0010247600000000 ] - [ -0.0007678000000000, 0.0008476100000000, 0.0016618200000000 ] - [ -0.0002138400000000, 0.0004944700000000, -0.0003723300000000 ] - [ -0.0006390700000000, -0.0002689100000000, 0.0011048800000000 ] - [ 0.0001131100000000, 0.0013663300000000, -0.0016056100000000 ] - [ -0.0001603200000000, 0.0002969000000000, -0.0002707400000000 ] - [ -0.0001155900000000, 0.0000166800000000, -0.0001520400000000 ] - [ 0.0003548000000000, 0.0034147900000000, 0.0104075900000000 ] - [ -0.0072975000000000, -0.0003347200000000, -0.0058770900000000 ] - [ -0.0002721200000000, 0.0010885400000000, -0.0019992200000000 ] - [ 0.0031420500000000, 0.0036112200000000, -0.0038822300000000 ] - [ 0.0005149900000000, -0.0005645200000000, 0.0021035800000000 ] - [ -0.0000786400000000, -0.0006466500000000, -0.0001177000000000 ] - [ -0.0007384800000000, 0.0004706900000000, -0.0021573900000000 ] - [ -0.0002577200000000, 0.0004306300000000, -0.0001718800000000 ] - [ -0.0002642300000000, -0.0009033500000000, -0.0019537600000000 ] - [ 0.0012879200000000, -0.0000006800000000, -0.0053876700000000 ] - [ 0.0029386000000000, 0.0015774900000000, -0.0071523700000000 ] - [ 0.0005777900000000, -0.0001507300000000, 0.0011730900000000 ] - [ -0.0004505700000000, -0.0016969200000000, -0.0096876300000000 ] - [ 0.0019834600000000, 0.0010478600000000, -0.0010151300000000 ] - [ 0.0071952600000000, 0.0041099400000000, -0.0149538900000000 ] - [ 0.0002563400000000, 0.0003163800000000, 0.0016957500000000 ] - [ 0.0006958800000000, -0.0008392100000000, -0.0020884100000000 ] - [ 0.0015737000000000, 0.0006314000000000, 0.0026537500000000 ] - [ 0.0014149500000000, -0.0006256200000000, 0.0019894900000000 ] - [ -0.0010158100000000, 0.0003558900000000, 0.0026756100000000 ] - [ -0.0008491200000000, 0.0001512400000000, 0.0018070600000000 ] - [ -0.0026137600000000, -0.0019583100000000, -0.0011872600000000 ] - [ -0.0000876900000000, -0.0004705300000000, 0.0000006100000000 ] - [ 0.0000433900000000, -0.0014008300000000, 0.0025520700000000 ] - [ 0.0004240100000000, 0.0022698200000000, -0.0016264600000000 ] - [ -0.0003977800000000, 0.0009891100000000, 0.0001182700000000 ] - [ 0.0008869300000000, -0.0008362900000000, -0.0008631000000000 ] - [ 0.0005813900000000, 0.0003580300000000, 0.0002523600000000 ] - [ -0.0007088500000000, -0.0004940300000000, -0.0012305400000000 ] - [ 0.0004216700000000, -0.0005821700000000, 0.0000060200000000 ] - [ -0.0003603900000000, -0.0000501200000000, 0.0013201200000000 ] - [ -0.0000637700000000, 0.0003715600000000, -0.0004625200000000 ] - [ -0.0002620700000000, -0.0001641700000000, 0.0002110300000000 ] - [ -0.0006540800000000, 0.0002426700000000, -0.0010916700000000 ] - [ -0.0000564700000000, 0.0001315600000000, 0.0004494500000000 ] - [ -0.0002061700000000, 0.0000257200000000, 0.0007754800000000 ] - [ 0.0003493300000000, -0.0009065700000000, 0.0020485300000000 ] - [ 0.0000856300000000, 0.0005960300000000, -0.0011487800000000 ] - [ -0.0000443800000000, 0.0008711500000000, 0.0015608200000000 ] - [ 0.0002493600000000, -0.0002093700000000, 0.0013559400000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013908300000000, 0.0003201100000000, 0.0011590700000000 ] - [ 0.0001415300000000, -0.0002601900000000, -0.0001962700000000 ] - [ -0.0433200300000000, -0.0047428700000000, -0.0024597100000000 ] - [ 0.0010999100000000, 0.0005825200000000, 0.0004354700000000 ] - [ 0.0141374300000000, 0.0019500100000000, -0.0003841900000000 ] - [ 0.0018446400000000, -0.0009726700000000, 0.0032984400000000 ] - [ 0.0003322900000000, 0.0001870400000000, -0.0002102300000000 ] - [ 0.0014753200000000, -0.0001628400000000, -0.0003074100000000 ] - [ -0.0045444300000000, -0.0010604000000000, -0.0034553500000000 ] - [ 0.0018274400000000, -0.0001277600000000, 0.0003379700000000 ] - [ -0.0005959900000000, -0.0000852800000000, -0.0003790800000000 ] - [ 0.0002762900000000, 0.0000864900000000, 0.0001575300000000 ] - [ -0.0018322000000000, 0.0034466400000000, 0.0009661300000000 ] - [ 0.0008642300000000, -0.0004570600000000, 0.0004454700000000 ] - [ 0.0006057800000000, 0.0002507700000000, -0.0004396200000000 ] - [ 0.0008904800000000, -0.0001604300000000, -0.0002582000000000 ] - [ -0.0000504600000000, -0.0002549300000000, -0.0006600000000000 ] - [ 0.0006248900000000, -0.0001951400000000, 0.0004038900000000 ] - [ 0.0013996200000000, 0.0007042200000000, -0.0003794900000000 ] - [ 0.0034890900000000, -0.0059880400000000, -0.0003946900000000 ] - [ -0.0008282900000000, -0.0004656600000000, -0.0000165500000000 ] - [ 0.0000506800000000, -0.0002491000000000, -0.0001707800000000 ] - [ -0.0004685200000000, 0.0006570100000000, 0.0005306900000000 ] - [ -0.0000836900000000, 0.0002994400000000, -0.0003280400000000 ] - [ 0.0000505200000000, -0.0002442600000000, 0.0005008000000000 ] - [ -0.0010582300000000, -0.0000876600000000, -0.0002181600000000 ] - [ -0.0005709400000000, 0.0003446300000000, -0.0002353000000000 ] - [ -0.0004471600000000, 0.0004162200000000, -0.0000536500000000 ] - [ 0.0001822500000000, 0.0001010600000000, -0.0001652100000000 ] - [ -0.0001244400000000, 0.0001878900000000, 0.0002831300000000 ] - [ 0.0008011900000000, -0.0004874800000000, 0.0004625900000000 ] - [ -0.0000898300000000, -0.0000154800000000, 0.0002594600000000 ] - [ 0.0001573600000000, 0.0000606700000000, 0.0009305500000000 ] - [ 0.0015982700000000, -0.0036560900000000, 0.0000303700000000 ] - [ 0.0002626500000000, 0.0005216500000000, -0.0000937400000000 ] - [ -0.0007793000000000, 0.0002133000000000, -0.0001529400000000 ] - [ -0.0006137200000000, 0.0000874600000000, -0.0005148300000000 ] - [ -0.0001393100000000, -0.0003078000000000, -0.0003336900000000 ] - [ -0.0014700100000000, 0.0008166100000000, 0.0005843100000000 ] - [ 0.0007407300000000, 0.0002757000000000, 0.0001653200000000 ] - [ -0.0099819900000000, 0.0031283800000000, 0.0009620300000000 ] - [ 0.0006898200000000, -0.0006089000000000, 0.0003482900000000 ] - [ -0.0041980600000000, 0.0023617000000000, -0.0019347700000000 ] - [ 0.0019785600000000, 0.0003085600000000, -0.0006013400000000 ] - [ 0.0002272900000000, -0.0009018300000000, -0.0003106300000000 ] - [ 0.0000435900000000, -0.0003908500000000, 0.0002139200000000 ] - [ 0.0001711400000000, -0.0004578300000000, -0.0014239100000000 ] - [ 0.0051683200000000, 0.0097686600000000, -0.0005341500000000 ] - [ 0.0015918600000000, 0.0001683300000000, -0.0008670900000000 ] - [ -0.0011024400000000, 0.0002844700000000, 0.0002362700000000 ] - [ 0.0092383100000000, -0.0010825600000000, -0.0008929700000000 ] - [ -0.0011660700000000, 0.0003210300000000, -0.0010247700000000 ] - [ 0.0013736400000000, -0.0011211200000000, -0.0005126400000000 ] - [ -0.0003747700000000, -0.0000336700000000, 0.0006151100000000 ] - [ -0.0019348500000000, -0.0005110500000000, -0.0001870000000000 ] - [ 0.0020986600000000, 0.0009917200000000, 0.0006333000000000 ] - [ 0.0096493900000000, -0.0021194700000000, 0.0003568900000000 ] - [ -0.0004364500000000, -0.0000718300000000, -0.0000574100000000 ] - [ 0.0096260700000000, -0.0007662500000000, 0.0002131400000000 ] - [ -0.0027827200000000, 0.0013349300000000, -0.0001879900000000 ] - [ -0.0004738400000000, -0.0011910800000000, 0.0016865400000000 ] - [ -0.0013338900000000, -0.0000500900000000, -0.0001277900000000 ] - [ 0.0020726400000000, -0.0010139300000000, -0.0015339900000000 ] - [ -0.0013053300000000, -0.0002305600000000, 0.0004580800000000 ] - [ -0.0003474300000000, 0.0003853700000000, -0.0005523600000000 ] - [ 0.0002803000000000, 0.0003763300000000, 0.0009933100000000 ] - [ 0.0010517600000000, 0.0000325400000000, 0.0000363700000000 ] - [ 0.0002606200000000, 0.0000287100000000, -0.0004091700000000 ] - [ -0.0000761300000000, 0.0004664200000000, -0.0005721200000000 ] - [ -0.0003620500000000, -0.0001722400000000, 0.0006145900000000 ] - [ -0.0006983400000000, 0.0002744100000000, 0.0003486500000000 ] - [ 0.0004392200000000, -0.0010181500000000, 0.0007536300000000 ] - [ -0.0000512400000000, -0.0005957500000000, -0.0008132600000000 ] - [ -0.0013512800000000, 0.0003385400000000, 0.0001306900000000 ] - [ 0.0004211900000000, 0.0006920000000000, 0.0001357600000000 ] - [ -0.0014911400000000, -0.0012509900000000, -0.0003222200000000 ] - [ 0.0011943900000000, 0.0003347200000000, 0.0006498800000000 ] - [ -0.0019414100000000, -0.0014091800000000, 0.0006447600000000 ] - [ -0.0024021200000000, 0.0005666800000000, 0.0002306400000000 ] - [ 0.0090079300000000, 0.0013055400000000, 0.0034597000000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009147200000000, -0.0008711800000000, -0.0008637900000000 ] - [ 0.0003383000000000, -0.0002863100000000, -0.0000986900000000 ] - [ 0.0434309300000000, 0.0054164100000000, 0.0017279000000000 ] - [ -0.0004435200000000, -0.0000082500000000, 0.0003795800000000 ] - [ -0.0131473900000000, -0.0025056100000000, -0.0002627400000000 ] - [ -0.0011224300000000, 0.0003737800000000, -0.0026615400000000 ] - [ 0.0008771000000000, 0.0003156400000000, -0.0001032300000000 ] - [ -0.0002661500000000, 0.0006746700000000, 0.0006272900000000 ] - [ 0.0046564200000000, 0.0008883900000000, 0.0032312200000000 ] - [ -0.0016893600000000, -0.0000627000000000, -0.0000356100000000 ] - [ 0.0007188600000000, 0.0002770100000000, 0.0000789000000000 ] - [ -0.0001248100000000, 0.0001104200000000, 0.0001470600000000 ] - [ 0.0030082200000000, -0.0039854200000000, -0.0012869300000000 ] - [ 0.0003555800000000, -0.0000360700000000, -0.0001466200000000 ] - [ 0.0001304700000000, 0.0003510700000000, -0.0002296800000000 ] - [ -0.0001471600000000, 0.0007847800000000, 0.0009173700000000 ] - [ 0.0007103900000000, -0.0003218100000000, -0.0001858400000000 ] - [ 0.0000316500000000, -0.0003759000000000, 0.0004231500000000 ] - [ -0.0009313100000000, -0.0001480200000000, 0.0006688100000000 ] - [ -0.0030208300000000, 0.0066217400000000, 0.0001185000000000 ] - [ 0.0003525000000000, -0.0000930200000000, 0.0003105900000000 ] - [ -0.0005288600000000, -0.0002951700000000, -0.0001197500000000 ] - [ -0.0001897900000000, -0.0000779200000000, 0.0002887800000000 ] - [ -0.0005710300000000, 0.0002680000000000, -0.0004940000000000 ] - [ -0.0007877800000000, -0.0003748000000000, 0.0001522800000000 ] - [ 0.0003255400000000, -0.0005169300000000, -0.0004393200000000 ] - [ -0.0006399100000000, 0.0001617300000000, -0.0000820800000000 ] - [ -0.0007622700000000, 0.0000774800000000, 0.0003649300000000 ] - [ -0.0003179300000000, -0.0003032500000000, -0.0001337600000000 ] - [ -0.0000225900000000, -0.0003823400000000, 0.0000258000000000 ] - [ -0.0009393200000000, 0.0006863400000000, -0.0007613100000000 ] - [ -0.0000575600000000, 0.0001988100000000, 0.0000428300000000 ] - [ -0.0013589100000000, -0.0005671700000000, -0.0006217600000000 ] - [ -0.0028048700000000, 0.0031228700000000, -0.0003212900000000 ] - [ -0.0009947000000000, 0.0000715200000000, 0.0007673300000000 ] - [ 0.0000387200000000, 0.0003868000000000, -0.0005054100000000 ] - [ -0.0000417400000000, -0.0006706200000000, 0.0013488900000000 ] - [ -0.0005212400000000, -0.0002731600000000, -0.0004978600000000 ] - [ 0.0009833600000000, -0.0002686800000000, -0.0002977600000000 ] - [ -0.0012173100000000, 0.0002640300000000, -0.0004560600000000 ] - [ 0.0099867500000000, -0.0043497000000000, -0.0016154800000000 ] - [ -0.0006734900000000, -0.0006140300000000, 0.0001473900000000 ] - [ 0.0042228300000000, -0.0011461100000000, 0.0014521800000000 ] - [ -0.0019729100000000, 0.0009364900000000, 0.0011120500000000 ] - [ -0.0002517300000000, -0.0003193800000000, -0.0001828600000000 ] - [ -0.0000464200000000, -0.0008504500000000, 0.0002830500000000 ] - [ -0.0002053700000000, 0.0016622800000000, 0.0009061800000000 ] - [ -0.0051759200000000, -0.0086398000000000, 0.0010010900000000 ] - [ -0.0016546600000000, 0.0004652700000000, -0.0003003400000000 ] - [ 0.0010741700000000, 0.0003726000000000, 0.0009513700000000 ] - [ -0.0098849500000000, 0.0012589200000000, 0.0018901100000000 ] - [ 0.0001335300000000, 0.0000349800000000, 0.0003321500000000 ] - [ -0.0011185800000000, 0.0010194200000000, -0.0001170000000000 ] - [ 0.0006088700000000, -0.0000898800000000, 0.0000335600000000 ] - [ 0.0025313400000000, 0.0007498200000000, -0.0002015500000000 ] - [ -0.0014735600000000, -0.0007004500000000, -0.0002128800000000 ] - [ -0.0090968500000000, 0.0019620400000000, 0.0001302400000000 ] - [ 0.0010523700000000, -0.0002061200000000, -0.0003363600000000 ] - [ -0.0091912700000000, 0.0011129900000000, -0.0010786900000000 ] - [ 0.0030655400000000, -0.0012595000000000, 0.0008302500000000 ] - [ -0.0005717900000000, 0.0008247000000000, -0.0009768100000000 ] - [ 0.0003277700000000, -0.0002912100000000, -0.0005482600000000 ] - [ -0.0021034800000000, 0.0003410100000000, 0.0003354200000000 ] - [ 0.0012558400000000, -0.0004092700000000, 0.0007051500000000 ] - [ 0.0004004300000000, 0.0002521000000000, -0.0006277400000000 ] - [ -0.0002275300000000, 0.0002653300000000, 0.0001646000000000 ] - [ -0.0000340100000000, 0.0003107300000000, 0.0006402300000000 ] - [ 0.0007395000000000, 0.0003094300000000, -0.0002547400000000 ] - [ -0.0001685600000000, -0.0005727000000000, -0.0000687900000000 ] - [ 0.0001106700000000, 0.0000798000000000, 0.0000104700000000 ] - [ 0.0000791700000000, 0.0000204400000000, 0.0000743500000000 ] - [ -0.0010720800000000, 0.0013088500000000, -0.0011644800000000 ] - [ -0.0005521400000000, 0.0003509600000000, 0.0004384100000000 ] - [ 0.0007562900000000, -0.0005938400000000, 0.0002421700000000 ] - [ -0.0006391200000000, -0.0005632700000000, -0.0007973200000000 ] - [ 0.0012514900000000, 0.0013821800000000, 0.0009931700000000 ] - [ -0.0001441800000000, -0.0006970300000000, 0.0000579200000000 ] - [ 0.0029952200000000, 0.0010681100000000, -0.0013564700000000 ] - [ 0.0024215500000000, -0.0012215800000000, -0.0014100000000000 ] - [ -0.0091492400000000, -0.0021913000000000, -0.0024979000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001228600000000, -0.0011059300000000, 0.0000113700000000 ] - [ -0.0000411800000000, -0.0006963000000000, 0.0000325700000000 ] - [ -0.0046595300000000, -0.0435092500000000, -0.0053517000000000 ] - [ 0.0006371400000000, -0.0002906600000000, 0.0004245500000000 ] - [ 0.0023552700000000, -0.0040354300000000, 0.0003885100000000 ] - [ 0.0001449500000000, -0.0023282300000000, 0.0002754900000000 ] - [ 0.0006747100000000, -0.0004072300000000, -0.0002726500000000 ] - [ 0.0003657000000000, -0.0004798900000000, 0.0000380100000000 ] - [ -0.0008834000000000, -0.0052771900000000, 0.0023809600000000 ] - [ 0.0003377900000000, -0.0009207400000000, 0.0001501700000000 ] - [ 0.0005070500000000, 0.0012858600000000, 0.0008808200000000 ] - [ 0.0000907400000000, 0.0002076400000000, 0.0001511200000000 ] - [ 0.0041082500000000, 0.0116511600000000, 0.0015544100000000 ] - [ 0.0005906700000000, -0.0001532800000000, 0.0000428800000000 ] - [ 0.0005921500000000, 0.0003297500000000, -0.0005243300000000 ] - [ -0.0003738500000000, 0.0010553400000000, 0.0009683100000000 ] - [ 0.0003021900000000, -0.0000674500000000, -0.0004974400000000 ] - [ 0.0002481700000000, -0.0002316300000000, 0.0004633800000000 ] - [ 0.0011673200000000, 0.0007280400000000, -0.0003961000000000 ] - [ -0.0052669200000000, 0.0040492600000000, -0.0001016500000000 ] - [ -0.0006194400000000, 0.0004180500000000, -0.0002921400000000 ] - [ -0.0002334600000000, -0.0000561800000000, -0.0001259600000000 ] - [ -0.0007057000000000, 0.0010814100000000, 0.0003085100000000 ] - [ -0.0003465900000000, 0.0009938100000000, -0.0005811800000000 ] - [ -0.0002171800000000, 0.0001133100000000, 0.0004680600000000 ] - [ -0.0003992500000000, 0.0014673800000000, -0.0001253300000000 ] - [ -0.0004803000000000, 0.0006773000000000, -0.0002159100000000 ] - [ -0.0003421100000000, 0.0009455200000000, -0.0001276500000000 ] - [ 0.0000351100000000, 0.0007351600000000, 0.0000187900000000 ] - [ -0.0003163800000000, 0.0010771400000000, 0.0005300400000000 ] - [ -0.0005918400000000, 0.0006005400000000, -0.0007235200000000 ] - [ -0.0001529900000000, 0.0000550600000000, 0.0002942800000000 ] - [ -0.0000531100000000, 0.0003101800000000, 0.0010574300000000 ] - [ -0.0044314200000000, 0.0021116700000000, -0.0009444900000000 ] - [ -0.0002047300000000, 0.0005004900000000, 0.0000278900000000 ] - [ -0.0003027200000000, 0.0003680900000000, -0.0002320200000000 ] - [ 0.0000363500000000, -0.0003549600000000, -0.0006231300000000 ] - [ -0.0003522300000000, -0.0002607800000000, -0.0003595400000000 ] - [ -0.0004886800000000, 0.0017984200000000, 0.0018162300000000 ] - [ 0.0000603500000000, 0.0004849800000000, -0.0001810600000000 ] - [ 0.0039412000000000, -0.0106485400000000, 0.0006810500000000 ] - [ 0.0000896100000000, -0.0016634000000000, 0.0002659400000000 ] - [ -0.0012926100000000, 0.0046013100000000, -0.0054868400000000 ] - [ 0.0000165600000000, 0.0007821200000000, 0.0003726800000000 ] - [ 0.0003560200000000, 0.0004580900000000, -0.0001535700000000 ] - [ -0.0002011100000000, 0.0002497300000000, 0.0003539700000000 ] - [ -0.0010212800000000, 0.0002883600000000, 0.0009066900000000 ] - [ 0.0088818700000000, 0.0078273300000000, -0.0007170800000000 ] - [ -0.0002770600000000, 0.0019828800000000, -0.0008070800000000 ] - [ 0.0002141000000000, 0.0007429900000000, 0.0010378700000000 ] - [ -0.0026683100000000, 0.0095150700000000, 0.0008653800000000 ] - [ -0.0009803800000000, 0.0009322600000000, -0.0010871300000000 ] - [ -0.0012911300000000, 0.0011159100000000, -0.0007431700000000 ] - [ 0.0006654800000000, 0.0003966800000000, -0.0001033300000000 ] - [ 0.0001280200000000, 0.0009481000000000, -0.0006973900000000 ] - [ 0.0014553300000000, 0.0013328700000000, 0.0015373300000000 ] - [ -0.0006862400000000, 0.0095978400000000, -0.0010857400000000 ] - [ -0.0001363800000000, 0.0002473600000000, 0.0001641000000000 ] - [ 0.0006863500000000, 0.0076003200000000, 0.0003093300000000 ] - [ 0.0009023300000000, 0.0008780000000000, 0.0006914900000000 ] - [ -0.0010302400000000, -0.0015162300000000, 0.0016083700000000 ] - [ 0.0001838500000000, -0.0012074000000000, -0.0004746100000000 ] - [ 0.0011079200000000, -0.0035653700000000, 0.0001405900000000 ] - [ -0.0005168700000000, -0.0012229900000000, 0.0006420600000000 ] - [ -0.0001217400000000, -0.0000613800000000, -0.0006066400000000 ] - [ 0.0003476700000000, -0.0008603000000000, 0.0002848700000000 ] - [ -0.0000198000000000, -0.0016675700000000, -0.0002187000000000 ] - [ 0.0005729800000000, -0.0003204300000000, -0.0002817800000000 ] - [ 0.0000304600000000, -0.0006990100000000, -0.0002611000000000 ] - [ -0.0001010200000000, -0.0004524300000000, 0.0007005600000000 ] - [ -0.0002138800000000, -0.0002918400000000, -0.0001834600000000 ] - [ -0.0012492100000000, -0.0024141200000000, 0.0006850700000000 ] - [ -0.0003192400000000, -0.0010125000000000, -0.0009187300000000 ] - [ -0.0004130600000000, -0.0010773800000000, 0.0006816500000000 ] - [ 0.0012016300000000, -0.0020393300000000, -0.0012952900000000 ] - [ -0.0011028700000000, -0.0019247800000000, -0.0003596500000000 ] - [ 0.0010444700000000, 0.0004962600000000, -0.0004424200000000 ] - [ -0.0008431100000000, 0.0003616900000000, 0.0008135200000000 ] - [ 0.0003623800000000, 0.0006435300000000, -0.0011235500000000 ] - [ 0.0013835500000000, 0.0087758500000000, 0.0036967400000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003499300000000, 0.0005642300000000, 0.0002869600000000 ] - [ 0.0005159700000000, 0.0001610300000000, -0.0003263200000000 ] - [ 0.0055011500000000, 0.0435036400000000, 0.0047010000000000 ] - [ 0.0000361900000000, 0.0008743200000000, 0.0003909800000000 ] - [ -0.0016813800000000, 0.0034125700000000, -0.0010697500000000 ] - [ 0.0005819000000000, 0.0017148900000000, 0.0004105400000000 ] - [ 0.0005340400000000, 0.0009196000000000, -0.0000488900000000 ] - [ 0.0008442500000000, 0.0009910300000000, 0.0002794400000000 ] - [ 0.0010330800000000, 0.0051268600000000, -0.0025653600000000 ] - [ -0.0001687200000000, 0.0007504000000000, 0.0001173400000000 ] - [ -0.0003384000000000, -0.0011251700000000, -0.0011451800000000 ] - [ 0.0000810100000000, -0.0000350700000000, 0.0001374200000000 ] - [ -0.0027976300000000, -0.0119647100000000, -0.0018568300000000 ] - [ 0.0006274500000000, -0.0003739500000000, 0.0002913300000000 ] - [ 0.0001285200000000, 0.0002808300000000, -0.0001375200000000 ] - [ 0.0010954900000000, -0.0004348600000000, -0.0003011000000000 ] - [ 0.0003680100000000, -0.0005136000000000, -0.0003201800000000 ] - [ 0.0004248200000000, -0.0003478600000000, 0.0003397900000000 ] - [ -0.0006911100000000, -0.0001732500000000, 0.0007104400000000 ] - [ 0.0056558800000000, -0.0034966300000000, -0.0002125600000000 ] - [ 0.0001461900000000, -0.0009473600000000, 0.0006045100000000 ] - [ -0.0002349900000000, -0.0004671100000000, -0.0001746600000000 ] - [ 0.0000339900000000, -0.0004934100000000, 0.0004957300000000 ] - [ -0.0003192000000000, -0.0004125900000000, -0.0002433900000000 ] - [ -0.0005167100000000, -0.0007248100000000, 0.0002019800000000 ] - [ -0.0003282200000000, -0.0020795400000000, -0.0005513700000000 ] - [ -0.0007397800000000, -0.0001589000000000, -0.0001062000000000 ] - [ -0.0008867900000000, -0.0004348400000000, 0.0004580700000000 ] - [ -0.0001955300000000, -0.0009194000000000, -0.0002997800000000 ] - [ 0.0001438100000000, -0.0012560800000000, -0.0002464300000000 ] - [ 0.0004285400000000, -0.0004219800000000, 0.0004509500000000 ] - [ -0.0000445200000000, 0.0000986700000000, -0.0000149200000000 ] - [ -0.0011619100000000, -0.0008176800000000, -0.0007324200000000 ] - [ 0.0032729700000000, -0.0026374800000000, 0.0006355700000000 ] - [ -0.0005189100000000, 0.0001230500000000, 0.0006414600000000 ] - [ -0.0004205300000000, 0.0002656800000000, -0.0004233100000000 ] - [ -0.0007036400000000, -0.0002168300000000, 0.0014177800000000 ] - [ -0.0003101200000000, -0.0003138400000000, -0.0004472800000000 ] - [ 0.0000085900000000, -0.0012708100000000, -0.0015097000000000 ] - [ -0.0005278300000000, 0.0000604800000000, -0.0001404700000000 ] - [ -0.0038982900000000, 0.0094591500000000, -0.0013549400000000 ] - [ -0.0000568100000000, 0.0004628300000000, 0.0002481900000000 ] - [ 0.0013655600000000, -0.0034074200000000, 0.0049225300000000 ] - [ 0.0000142500000000, 0.0004158000000000, 0.0001372500000000 ] - [ -0.0004054700000000, -0.0016264200000000, -0.0003536600000000 ] - [ 0.0001870100000000, -0.0014570300000000, 0.0001761700000000 ] - [ 0.0010030800000000, 0.0009327300000000, -0.0014366600000000 ] - [ -0.0090214000000000, -0.0066440000000000, 0.0011992000000000 ] - [ 0.0002656100000000, -0.0012985900000000, -0.0004366000000000 ] - [ -0.0002562100000000, -0.0000985600000000, 0.0001721600000000 ] - [ 0.0016758800000000, -0.0091438300000000, -0.0000144800000000 ] - [ -0.0000566900000000, -0.0005167600000000, 0.0003670100000000 ] - [ 0.0014422500000000, -0.0012517800000000, 0.0000632900000000 ] - [ -0.0004798300000000, -0.0004953800000000, 0.0007613700000000 ] - [ 0.0004936600000000, -0.0006922800000000, 0.0003108000000000 ] - [ -0.0007974700000000, -0.0010190900000000, -0.0010869500000000 ] - [ 0.0012017500000000, -0.0095907200000000, 0.0018787100000000 ] - [ 0.0007842600000000, -0.0005318800000000, -0.0005939600000000 ] - [ -0.0003225700000000, -0.0072047900000000, -0.0011970300000000 ] - [ -0.0007052800000000, -0.0008137400000000, -0.0000815500000000 ] - [ -0.0000396300000000, 0.0011108500000000, -0.0008797200000000 ] - [ -0.0011868700000000, 0.0008415100000000, -0.0002044500000000 ] - [ -0.0011286000000000, 0.0028984100000000, -0.0013571000000000 ] - [ 0.0004409200000000, 0.0006212600000000, 0.0005196000000000 ] - [ 0.0001132900000000, 0.0007553900000000, -0.0006685300000000 ] - [ -0.0002963300000000, 0.0015030100000000, 0.0009173600000000 ] - [ 0.0011210000000000, 0.0020998800000000, 0.0009758200000000 ] - [ 0.0004594600000000, 0.0007197700000000, -0.0004160700000000 ] - [ -0.0001698800000000, 0.0005448400000000, -0.0004469400000000 ] - [ -0.0000846900000000, 0.0003544800000000, -0.0000543100000000 ] - [ -0.0004205400000000, 0.0005581200000000, 0.0005995900000000 ] - [ 0.0006374600000000, 0.0027034600000000, -0.0011154600000000 ] - [ -0.0003253200000000, 0.0007215500000000, 0.0004885100000000 ] - [ -0.0002625000000000, 0.0007219600000000, -0.0001996200000000 ] - [ -0.0014155100000000, 0.0021225200000000, 0.0006894800000000 ] - [ 0.0009110700000000, 0.0019876600000000, 0.0010101000000000 ] - [ -0.0000163900000000, -0.0008802200000000, 0.0011274700000000 ] - [ 0.0018815000000000, -0.0007640100000000, -0.0015140800000000 ] - [ -0.0003047900000000, -0.0012739700000000, -0.0000637400000000 ] - [ -0.0015728300000000, -0.0096342500000000, -0.0027864300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018355400000000, 0.0003776400000000, 0.0010162000000000 ] - [ 0.0001618500000000, 0.0001372800000000, 0.0010794000000000 ] - [ -0.0018475100000000, -0.0047819300000000, -0.0702121900000000 ] - [ 0.0002787100000000, 0.0002472100000000, 0.0006700100000000 ] - [ 0.0000334900000000, 0.0004963300000000, -0.0049932000000000 ] - [ 0.0029650700000000, -0.0007664700000000, 0.0024969900000000 ] - [ 0.0006141200000000, 0.0002933400000000, 0.0016032400000000 ] - [ 0.0002330300000000, 0.0001205900000000, 0.0001894000000000 ] - [ -0.0027344300000000, 0.0017156300000000, 0.0172823200000000 ] - [ 0.0002815600000000, -0.0002034100000000, -0.0006370100000000 ] - [ 0.0005189900000000, 0.0016521500000000, 0.0008402800000000 ] - [ 0.0001250500000000, 0.0001313300000000, 0.0005016700000000 ] - [ 0.0017584400000000, 0.0016544300000000, -0.0043464100000000 ] - [ 0.0007065400000000, -0.0002873000000000, 0.0003683700000000 ] - [ 0.0005565000000000, 0.0006032200000000, 0.0004969300000000 ] - [ -0.0007025500000000, 0.0012096300000000, 0.0013357900000000 ] - [ 0.0000623600000000, -0.0001716000000000, 0.0007603800000000 ] - [ 0.0003160000000000, -0.0002042600000000, 0.0004317100000000 ] - [ -0.0006994700000000, -0.0001355600000000, 0.0009852500000000 ] - [ 0.0002284800000000, -0.0000852700000000, -0.0036149600000000 ] - [ -0.0004132200000000, -0.0005021900000000, 0.0002040100000000 ] - [ -0.0002245200000000, -0.0002514400000000, 0.0002164100000000 ] - [ -0.0001814800000000, 0.0003607500000000, 0.0007659100000000 ] - [ -0.0003941900000000, 0.0000924800000000, -0.0011116600000000 ] - [ -0.0002909100000000, -0.0002153400000000, 0.0005420100000000 ] - [ -0.0005375700000000, -0.0002371200000000, -0.0012374600000000 ] - [ -0.0006682700000000, 0.0001699500000000, 0.0003959100000000 ] - [ -0.0006587200000000, 0.0004501000000000, 0.0001610000000000 ] - [ -0.0003149500000000, -0.0003277700000000, 0.0000074000000000 ] - [ -0.0000350400000000, 0.0001522600000000, -0.0005964100000000 ] - [ 0.0008841800000000, -0.0008143400000000, 0.0008822000000000 ] - [ -0.0004902100000000, -0.0002147600000000, 0.0008421300000000 ] - [ -0.0000622900000000, 0.0001386000000000, 0.0012180800000000 ] - [ -0.0002703300000000, -0.0012632900000000, -0.0026171800000000 ] - [ -0.0001788900000000, 0.0002275900000000, 0.0004180400000000 ] - [ -0.0000623300000000, 0.0000215500000000, 0.0006369700000000 ] - [ -0.0012458400000000, -0.0013039600000000, 0.0005410000000000 ] - [ -0.0003831700000000, -0.0003145300000000, 0.0002925000000000 ] - [ -0.0005292600000000, 0.0016191800000000, 0.0013392000000000 ] - [ 0.0000188400000000, 0.0002125000000000, -0.0008459200000000 ] - [ 0.0014129500000000, 0.0006769800000000, 0.0304630800000000 ] - [ 0.0001889200000000, -0.0006260800000000, 0.0016364600000000 ] - [ 0.0013560000000000, -0.0044951000000000, 0.0037128700000000 ] - [ -0.0003880900000000, 0.0005618700000000, -0.0017320500000000 ] - [ 0.0002091500000000, -0.0008516600000000, 0.0000025900000000 ] - [ -0.0001344200000000, -0.0004658800000000, 0.0014114900000000 ] - [ -0.0012091100000000, 0.0014367100000000, -0.0000177400000000 ] - [ 0.0014597000000000, 0.0019323000000000, -0.0064290000000000 ] - [ 0.0010450500000000, 0.0014314800000000, -0.0035849300000000 ] - [ -0.0008290500000000, 0.0004032100000000, -0.0005081800000000 ] - [ -0.0003960000000000, 0.0000309700000000, 0.0075807300000000 ] - [ -0.0010095200000000, 0.0002335000000000, -0.0017517000000000 ] - [ -0.0010959400000000, -0.0016995300000000, -0.0036749000000000 ] - [ 0.0007559700000000, -0.0001045700000000, -0.0006468900000000 ] - [ -0.0004253500000000, -0.0005960100000000, 0.0011041800000000 ] - [ -0.0003636500000000, 0.0010274800000000, -0.0030625900000000 ] - [ -0.0000375700000000, 0.0001881100000000, 0.0076491300000000 ] - [ 0.0006004600000000, -0.0001886600000000, -0.0012533100000000 ] - [ -0.0001520600000000, 0.0014734100000000, 0.0074466500000000 ] - [ -0.0009431900000000, 0.0007952300000000, 0.0013264300000000 ] - [ -0.0000036100000000, 0.0005832200000000, -0.0015021800000000 ] - [ 0.0003690400000000, -0.0008198700000000, 0.0005601000000000 ] - [ -0.0011354300000000, 0.0008240500000000, 0.0007869700000000 ] - [ 0.0006591200000000, -0.0000309700000000, 0.0010717800000000 ] - [ -0.0001819200000000, 0.0002779000000000, -0.0010734500000000 ] - [ 0.0003904000000000, -0.0004966600000000, -0.0006065600000000 ] - [ 0.0000141600000000, -0.0004625900000000, 0.0011069500000000 ] - [ 0.0004659700000000, 0.0002021000000000, -0.0010241900000000 ] - [ -0.0003570400000000, 0.0005114600000000, -0.0012224600000000 ] - [ -0.0000523900000000, 0.0001677200000000, -0.0000981600000000 ] - [ -0.0000771700000000, -0.0000758200000000, -0.0003689400000000 ] - [ 0.0003838100000000, 0.0000679300000000, 0.0017792500000000 ] - [ -0.0004736100000000, -0.0003984400000000, -0.0015911100000000 ] - [ -0.0009452000000000, 0.0005874600000000, 0.0006100200000000 ] - [ 0.0006483500000000, -0.0004108700000000, 0.0003808000000000 ] - [ -0.0014614700000000, -0.0013237100000000, 0.0007706900000000 ] - [ 0.0013527200000000, -0.0010904600000000, -0.0017489800000000 ] - [ 0.0004513400000000, 0.0007041000000000, 0.0016962500000000 ] - [ 0.0004406000000000, -0.0006824200000000, 0.0005183500000000 ] - [ 0.0008144700000000, 0.0006989200000000, 0.0119742600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013675600000000, -0.0009043800000000, -0.0007098200000000 ] - [ 0.0003045600000000, -0.0006632000000000, -0.0013747900000000 ] - [ 0.0023556300000000, 0.0052967600000000, 0.0690274900000000 ] - [ 0.0003625300000000, 0.0003142800000000, 0.0001471500000000 ] - [ 0.0006364500000000, -0.0011032100000000, 0.0043293200000000 ] - [ -0.0022535900000000, 0.0001611700000000, -0.0018459400000000 ] - [ 0.0006243600000000, 0.0002238400000000, -0.0019217300000000 ] - [ 0.0010090200000000, 0.0003882400000000, 0.0001220300000000 ] - [ 0.0029828300000000, -0.0019325600000000, -0.0179231000000000 ] - [ -0.0001100500000000, 0.0000240200000000, 0.0009343800000000 ] - [ -0.0003473100000000, -0.0014711000000000, -0.0011320000000000 ] - [ 0.0000497800000000, 0.0000492500000000, -0.0001984600000000 ] - [ -0.0005324900000000, -0.0022238800000000, 0.0040078500000000 ] - [ 0.0005301000000000, -0.0002200400000000, -0.0000449200000000 ] - [ 0.0001766300000000, -0.0000042300000000, -0.0011610100000000 ] - [ 0.0014462600000000, -0.0006005900000000, -0.0006732200000000 ] - [ 0.0005894700000000, -0.0003934600000000, -0.0015887100000000 ] - [ 0.0003279700000000, -0.0003611700000000, 0.0003818700000000 ] - [ 0.0011636500000000, 0.0006702000000000, -0.0006741800000000 ] - [ 0.0002631700000000, 0.0005824400000000, 0.0033132000000000 ] - [ -0.0000603900000000, -0.0000257400000000, 0.0000968200000000 ] - [ -0.0002400000000000, -0.0002752200000000, -0.0005139600000000 ] - [ -0.0004631600000000, 0.0002111800000000, 0.0000456900000000 ] - [ -0.0002537000000000, 0.0004738700000000, 0.0002959400000000 ] - [ -0.0004430800000000, -0.0003872200000000, 0.0001146900000000 ] - [ -0.0001891100000000, -0.0003564300000000, 0.0005691200000000 ] - [ -0.0005652800000000, 0.0003430700000000, -0.0007035200000000 ] - [ -0.0005724000000000, 0.0000698600000000, 0.0001640500000000 ] - [ 0.0001419900000000, 0.0001490200000000, -0.0003052500000000 ] - [ -0.0001331800000000, -0.0003279300000000, 0.0008957900000000 ] - [ -0.0010569200000000, 0.0009878500000000, -0.0011808600000000 ] - [ 0.0003134000000000, 0.0003877700000000, -0.0005428200000000 ] - [ -0.0011686400000000, -0.0006524000000000, -0.0008968300000000 ] - [ -0.0009850000000000, 0.0007597900000000, 0.0022856300000000 ] - [ -0.0005512800000000, 0.0003606600000000, 0.0002469500000000 ] - [ -0.0006731200000000, 0.0005761400000000, -0.0012874000000000 ] - [ 0.0005821500000000, 0.0007193500000000, 0.0002765700000000 ] - [ -0.0002667900000000, -0.0002594400000000, -0.0011121200000000 ] - [ 0.0000531200000000, -0.0011056000000000, -0.0010384700000000 ] - [ -0.0004899900000000, 0.0003134500000000, 0.0005430000000000 ] - [ -0.0013306300000000, -0.0018429300000000, -0.0303760700000000 ] - [ -0.0001645300000000, -0.0005940900000000, -0.0011293700000000 ] - [ -0.0013047400000000, 0.0057553100000000, -0.0042102600000000 ] - [ 0.0004131900000000, 0.0006551700000000, 0.0022319300000000 ] - [ -0.0002332400000000, -0.0003616100000000, -0.0005111100000000 ] - [ 0.0001116400000000, -0.0007542600000000, -0.0009070200000000 ] - [ 0.0011980900000000, -0.0002217700000000, -0.0004743800000000 ] - [ -0.0014360400000000, -0.0006625800000000, 0.0069158600000000 ] - [ -0.0010810700000000, -0.0007745900000000, 0.0024581900000000 ] - [ 0.0008048000000000, 0.0002679900000000, 0.0016502100000000 ] - [ -0.0003168600000000, 0.0001750600000000, -0.0065527900000000 ] - [ 0.0000255200000000, 0.0001125400000000, 0.0010446300000000 ] - [ 0.0013285900000000, 0.0015652100000000, 0.0030367600000000 ] - [ -0.0005251900000000, -0.0000306300000000, 0.0013008000000000 ] - [ 0.0010386500000000, 0.0008281500000000, -0.0015017600000000 ] - [ 0.0009807900000000, -0.0008185300000000, 0.0034743000000000 ] - [ 0.0005090100000000, -0.0001263000000000, -0.0068982100000000 ] - [ 0.0000150400000000, -0.0000440100000000, 0.0008411800000000 ] - [ 0.0005790700000000, -0.0011221700000000, -0.0083416500000000 ] - [ 0.0011752700000000, -0.0006604200000000, -0.0006728800000000 ] - [ -0.0009865200000000, -0.0009188800000000, 0.0021801000000000 ] - [ -0.0013559400000000, 0.0004807000000000, -0.0012505700000000 ] - [ 0.0011030800000000, -0.0014884400000000, -0.0019237200000000 ] - [ -0.0006851400000000, -0.0006349500000000, 0.0000710700000000 ] - [ 0.0002200200000000, 0.0003837900000000, -0.0000559000000000 ] - [ -0.0003491100000000, 0.0011520700000000, 0.0017338000000000 ] - [ 0.0009683300000000, 0.0007989000000000, -0.0004129600000000 ] - [ 0.0005011300000000, 0.0001269900000000, 0.0003335700000000 ] - [ 0.0001152900000000, -0.0006405000000000, 0.0005806500000000 ] - [ -0.0001890200000000, -0.0002890000000000, 0.0007402200000000 ] - [ -0.0005219800000000, 0.0002765800000000, 0.0007350900000000 ] - [ -0.0009918400000000, 0.0001597500000000, -0.0021699700000000 ] - [ -0.0001302800000000, 0.0001828900000000, 0.0011929300000000 ] - [ 0.0003336200000000, -0.0008199800000000, -0.0002057100000000 ] - [ -0.0009021600000000, 0.0005160100000000, -0.0010111100000000 ] - [ 0.0012217300000000, 0.0014461900000000, -0.0001215400000000 ] - [ -0.0004133800000000, 0.0007849700000000, 0.0024188500000000 ] - [ 0.0005267800000000, -0.0010367400000000, -0.0023763400000000 ] - [ -0.0003894100000000, 0.0000417000000000, -0.0016245600000000 ] - [ -0.0010525400000000, -0.0016619600000000, -0.0111806500000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037822300000000, -0.0009299500000000, 0.0013753600000000 ] - [ 0.0009011900000000, -0.0002796100000000, -0.0001500800000000 ] - [ 0.0138350700000000, 0.0022758000000000, -0.0006973200000000 ] - [ 0.0018002200000000, 0.0000605600000000, -0.0022323900000000 ] - [ -0.0629708200000000, -0.0026210200000000, -0.0080797100000000 ] - [ 0.0016204800000000, -0.0005380900000000, 0.0000383500000000 ] - [ 0.0004799900000000, 0.0006332500000000, -0.0001882500000000 ] - [ 0.0021699300000000, -0.0003793300000000, 0.0016611300000000 ] - [ 0.0015112900000000, 0.0012758000000000, 0.0022699800000000 ] - [ 0.0126599300000000, -0.0035498800000000, 0.0000166500000000 ] - [ 0.0000464500000000, -0.0005940500000000, -0.0005137200000000 ] - [ 0.0001720700000000, 0.0002162300000000, 0.0002224600000000 ] - [ 0.0027524200000000, -0.0048281000000000, -0.0011096600000000 ] - [ 0.0008469600000000, 0.0001084600000000, -0.0004912200000000 ] - [ -0.0004321400000000, 0.0003022100000000, -0.0001363100000000 ] - [ 0.0013585700000000, 0.0000133300000000, 0.0003400800000000 ] - [ 0.0005602300000000, -0.0005080300000000, -0.0001974700000000 ] - [ 0.0008368100000000, 0.0004525100000000, 0.0014695700000000 ] - [ -0.0028279300000000, 0.0007666600000000, -0.0006195400000000 ] - [ 0.0020466600000000, 0.0001533400000000, 0.0000981700000000 ] - [ -0.0001026400000000, -0.0000599000000000, 0.0001116800000000 ] - [ -0.0000719800000000, -0.0002901300000000, -0.0002842200000000 ] - [ 0.0001001900000000, 0.0001326100000000, 0.0004715200000000 ] - [ -0.0010131200000000, 0.0003184000000000, -0.0002169100000000 ] - [ 0.0000575900000000, -0.0003432000000000, 0.0000968500000000 ] - [ -0.0004894700000000, -0.0005149500000000, -0.0003341100000000 ] - [ -0.0011170600000000, -0.0000303000000000, -0.0001645500000000 ] - [ -0.0002713600000000, 0.0004749400000000, 0.0003756200000000 ] - [ -0.0009439000000000, -0.0005660200000000, -0.0003402400000000 ] - [ 0.0005632900000000, 0.0000039600000000, -0.0001045800000000 ] - [ -0.0014694300000000, 0.0005686400000000, -0.0004527700000000 ] - [ 0.0003215100000000, 0.0001701700000000, 0.0000205800000000 ] - [ -0.0000477600000000, -0.0002665800000000, 0.0002100700000000 ] - [ -0.0041620600000000, 0.0026506900000000, 0.0003704100000000 ] - [ -0.0003289300000000, 0.0000275600000000, 0.0006132400000000 ] - [ -0.0004340200000000, 0.0004498900000000, -0.0005878200000000 ] - [ 0.0003128100000000, -0.0001203600000000, 0.0005755200000000 ] - [ -0.0007297100000000, -0.0002222800000000, -0.0007051800000000 ] - [ -0.0003943000000000, 0.0004893200000000, 0.0003047900000000 ] - [ 0.0004826700000000, -0.0008270800000000, 0.0002431600000000 ] - [ 0.0033932700000000, -0.0013846100000000, -0.0044416600000000 ] - [ 0.0001166400000000, -0.0008085600000000, 0.0002799500000000 ] - [ 0.0035110800000000, -0.0023163800000000, 0.0025495400000000 ] - [ 0.0059233400000000, 0.0086878800000000, -0.0015984200000000 ] - [ -0.0013163800000000, -0.0001749800000000, -0.0000818000000000 ] - [ 0.0006746200000000, -0.0006418700000000, 0.0002207800000000 ] - [ -0.0041046700000000, -0.0005534900000000, -0.0020128400000000 ] - [ 0.0021259600000000, 0.0008600300000000, -0.0004977900000000 ] - [ -0.0012370300000000, -0.0001783700000000, 0.0004828800000000 ] - [ 0.0008382700000000, 0.0008531100000000, 0.0001284000000000 ] - [ 0.0066432900000000, 0.0002562100000000, 0.0013420200000000 ] - [ -0.0013550400000000, 0.0002703000000000, 0.0001562700000000 ] - [ 0.0009678600000000, 0.0010186200000000, 0.0007653800000000 ] - [ -0.0009628500000000, 0.0000480600000000, -0.0004706900000000 ] - [ 0.0121160900000000, 0.0016653500000000, 0.0041791600000000 ] - [ -0.0014742800000000, -0.0001029600000000, -0.0012120400000000 ] - [ -0.0026164600000000, 0.0010759700000000, 0.0016599100000000 ] - [ 0.0009400900000000, -0.0003796300000000, 0.0005322600000000 ] - [ 0.0113126400000000, -0.0023971200000000, 0.0027289400000000 ] - [ -0.0033986100000000, -0.0010035400000000, 0.0018916900000000 ] - [ 0.0004344000000000, 0.0015303200000000, -0.0013890300000000 ] - [ -0.0029837600000000, -0.0015555200000000, -0.0010149700000000 ] - [ -0.0021871100000000, 0.0013808600000000, -0.0002905600000000 ] - [ 0.0010610200000000, -0.0017243800000000, 0.0018972100000000 ] - [ 0.0006833400000000, -0.0001214600000000, -0.0009716900000000 ] - [ -0.0005836300000000, 0.0006721000000000, 0.0005875900000000 ] - [ 0.0015235100000000, 0.0009225200000000, 0.0007724500000000 ] - [ -0.0000947500000000, 0.0000568000000000, -0.0001108000000000 ] - [ 0.0005607700000000, -0.0005696400000000, -0.0000101500000000 ] - [ -0.0005749700000000, -0.0000489000000000, 0.0001877300000000 ] - [ 0.0002791300000000, 0.0009896900000000, 0.0013392300000000 ] - [ -0.0012659100000000, -0.0000244300000000, -0.0002610700000000 ] - [ -0.0006412900000000, -0.0001792400000000, -0.0002285500000000 ] - [ 0.0007603700000000, 0.0001023700000000, -0.0005602800000000 ] - [ 0.0018916000000000, 0.0007364800000000, -0.0009041100000000 ] - [ -0.0013593000000000, 0.0000621700000000, 0.0003551800000000 ] - [ 0.0020344500000000, -0.0010697100000000, 0.0007571000000000 ] - [ -0.0017061400000000, 0.0010301300000000, -0.0007053200000000 ] - [ 0.0085880400000000, 0.0005658700000000, 0.0004409000000000 ] - [ -0.0023650500000000, -0.0016255100000000, 0.0002280500000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042371600000000, 0.0004199500000000, -0.0011300900000000 ] - [ -0.0004359000000000, -0.0002351600000000, -0.0001520400000000 ] - [ -0.0134575200000000, -0.0017568300000000, -0.0000775100000000 ] - [ -0.0011672700000000, 0.0004922300000000, 0.0029840800000000 ] - [ 0.0637248900000000, 0.0016862100000000, 0.0073022200000000 ] - [ -0.0008916900000000, -0.0000536900000000, 0.0006170800000000 ] - [ 0.0007856000000000, -0.0000998300000000, -0.0001495300000000 ] - [ -0.0009029800000000, 0.0009232600000000, -0.0013074800000000 ] - [ -0.0013389900000000, -0.0014415900000000, -0.0025823800000000 ] - [ -0.0122516900000000, 0.0033114300000000, 0.0002808000000000 ] - [ 0.0001328400000000, 0.0007635900000000, 0.0002282300000000 ] - [ 0.0000042600000000, -0.0000464400000000, 0.0000688600000000 ] - [ -0.0014896600000000, 0.0043374100000000, 0.0007708200000000 ] - [ 0.0004151300000000, -0.0006437500000000, 0.0008290400000000 ] - [ 0.0011583500000000, 0.0002928600000000, -0.0005279400000000 ] - [ -0.0006323000000000, 0.0005907600000000, 0.0003284700000000 ] - [ 0.0000731200000000, -0.0000541700000000, -0.0005783000000000 ] - [ -0.0002044100000000, -0.0010197000000000, -0.0006901800000000 ] - [ 0.0032840900000000, -0.0002738800000000, 0.0009482900000000 ] - [ -0.0015801000000000, 0.0003658100000000, -0.0004008900000000 ] - [ -0.0003565100000000, -0.0004493700000000, 0.0001936300000000 ] - [ -0.0003938500000000, -0.0002223800000000, -0.0000194600000000 ] - [ -0.0007315400000000, 0.0004309600000000, 0.0003077100000000 ] - [ 0.0003743500000000, 0.0002431700000000, -0.0005654100000000 ] - [ -0.0007893100000000, -0.0002420100000000, 0.0005648300000000 ] - [ -0.0002344300000000, -0.0000765400000000, -0.0003316800000000 ] - [ -0.0001454400000000, 0.0005666800000000, -0.0001739700000000 ] - [ -0.0009941800000000, 0.0000624500000000, -0.0000300500000000 ] - [ 0.0007616600000000, 0.0004012200000000, 0.0000479200000000 ] - [ -0.0007402900000000, -0.0001745600000000, 0.0003953000000000 ] - [ 0.0012897200000000, -0.0003884800000000, 0.0001598100000000 ] - [ -0.0004970700000000, 0.0000008700000000, 0.0002707000000000 ] - [ -0.0012204600000000, -0.0002733600000000, 0.0001309400000000 ] - [ 0.0029253200000000, -0.0031308900000000, -0.0007138800000000 ] - [ -0.0003995500000000, 0.0005564000000000, 0.0000540700000000 ] - [ -0.0002938400000000, 0.0001403500000000, -0.0000758200000000 ] - [ -0.0009437400000000, -0.0004412200000000, 0.0002062000000000 ] - [ 0.0000926800000000, -0.0003430400000000, -0.0000780400000000 ] - [ -0.0000657100000000, 0.0000167100000000, -0.0000030500000000 ] - [ -0.0009474700000000, 0.0013345000000000, -0.0005494100000000 ] - [ -0.0033605200000000, 0.0001359400000000, 0.0039592800000000 ] - [ -0.0000919700000000, -0.0004049800000000, 0.0002278400000000 ] - [ -0.0034865700000000, 0.0035253400000000, -0.0030621700000000 ] - [ -0.0058844700000000, -0.0074029100000000, 0.0021378400000000 ] - [ 0.0012907400000000, -0.0010374800000000, -0.0004248800000000 ] - [ -0.0007011900000000, -0.0005684200000000, 0.0002922600000000 ] - [ 0.0040943400000000, 0.0017867900000000, 0.0015171700000000 ] - [ -0.0021529500000000, 0.0003363700000000, 0.0010078700000000 ] - [ 0.0011718600000000, 0.0008162300000000, -0.0016116400000000 ] - [ -0.0008896700000000, -0.0002152700000000, 0.0010096800000000 ] - [ -0.0078285900000000, -0.0000557000000000, -0.0004691200000000 ] - [ 0.0003781400000000, 0.0000687400000000, -0.0008288900000000 ] - [ -0.0007383600000000, -0.0011181200000000, -0.0013934900000000 ] - [ 0.0011946700000000, -0.0001573300000000, 0.0011091400000000 ] - [ -0.0110214400000000, -0.0011364600000000, -0.0041459000000000 ] - [ 0.0020745400000000, 0.0003230400000000, 0.0015872000000000 ] - [ 0.0032348400000000, -0.0012986600000000, -0.0012990500000000 ] - [ -0.0003238100000000, 0.0001579500000000, -0.0009201000000000 ] - [ -0.0115137200000000, 0.0028252400000000, -0.0037468500000000 ] - [ 0.0036092800000000, 0.0010901500000000, -0.0012478800000000 ] - [ -0.0014171300000000, -0.0018651800000000, 0.0020562900000000 ] - [ 0.0020108700000000, 0.0012216000000000, 0.0003354100000000 ] - [ 0.0021220800000000, -0.0020108000000000, -0.0008387600000000 ] - [ -0.0011049200000000, 0.0010840700000000, -0.0007604900000000 ] - [ -0.0006332900000000, 0.0007618500000000, -0.0001703100000000 ] - [ 0.0006343000000000, -0.0000328300000000, 0.0005508400000000 ] - [ -0.0005452500000000, -0.0005841100000000, -0.0000953000000000 ] - [ 0.0010817500000000, 0.0002836800000000, -0.0005695000000000 ] - [ -0.0007905900000000, 0.0004543500000000, -0.0006253200000000 ] - [ 0.0003514700000000, -0.0000690300000000, 0.0004550100000000 ] - [ -0.0008855200000000, -0.0007797000000000, -0.0009635200000000 ] - [ 0.0006515100000000, 0.0002508100000000, -0.0001310000000000 ] - [ 0.0000241200000000, -0.0000526900000000, -0.0001693900000000 ] - [ -0.0013677000000000, -0.0003335800000000, 0.0009518700000000 ] - [ -0.0021296700000000, -0.0006365500000000, 0.0002779400000000 ] - [ 0.0011386500000000, 0.0000487100000000, 0.0002836600000000 ] - [ -0.0010653800000000, 0.0007364600000000, -0.0000891700000000 ] - [ 0.0026740600000000, -0.0013568400000000, 0.0000210200000000 ] - [ -0.0083870800000000, -0.0013636100000000, -0.0016867800000000 ] - [ 0.0024293200000000, 0.0010029800000000, 0.0009173600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005517600000000, -0.0036014200000000, 0.0018608800000000 ] - [ 0.0002188800000000, -0.0007019100000000, -0.0003153500000000 ] - [ 0.0025728000000000, -0.0034234400000000, 0.0004056900000000 ] - [ -0.0003636100000000, -0.0017329000000000, 0.0008673800000000 ] - [ -0.0018067200000000, -0.0462731300000000, 0.0020539400000000 ] - [ 0.0001219700000000, -0.0009784500000000, 0.0001545200000000 ] - [ 0.0007809700000000, -0.0004137000000000, -0.0005107600000000 ] - [ 0.0009423100000000, -0.0008860600000000, 0.0005125400000000 ] - [ 0.0008422600000000, -0.0019975500000000, 0.0001621700000000 ] - [ -0.0032797700000000, -0.0035809300000000, -0.0007191100000000 ] - [ -0.0003090700000000, 0.0000687800000000, 0.0003919400000000 ] - [ 0.0000571200000000, 0.0001757700000000, 0.0001781800000000 ] - [ -0.0045278700000000, 0.0035471500000000, 0.0006485700000000 ] - [ 0.0008804800000000, -0.0003354800000000, -0.0004084200000000 ] - [ 0.0003568600000000, 0.0001962600000000, -0.0005081900000000 ] - [ 0.0006572300000000, 0.0002753000000000, 0.0005416400000000 ] - [ 0.0003671800000000, -0.0002594400000000, -0.0007064000000000 ] - [ 0.0007842100000000, 0.0004568200000000, 0.0012974200000000 ] - [ 0.0007683500000000, 0.0016326300000000, -0.0044680700000000 ] - [ 0.0002715400000000, 0.0002738300000000, 0.0001165700000000 ] - [ -0.0003319100000000, 0.0002289400000000, 0.0002462700000000 ] - [ -0.0004246400000000, 0.0000270300000000, -0.0000165400000000 ] - [ -0.0003738700000000, 0.0007006000000000, 0.0003061800000000 ] - [ -0.0005264900000000, 0.0020558000000000, -0.0003397800000000 ] - [ -0.0003156800000000, 0.0007436000000000, 0.0000354200000000 ] - [ -0.0001514600000000, 0.0005718000000000, -0.0005952600000000 ] - [ -0.0004552600000000, 0.0007599000000000, -0.0001365600000000 ] - [ -0.0005627600000000, 0.0006739500000000, 0.0002702200000000 ] - [ -0.0004261500000000, 0.0011586200000000, -0.0004493600000000 ] - [ -0.0000178800000000, 0.0004600500000000, 0.0001828800000000 ] - [ -0.0003697200000000, 0.0011366100000000, -0.0016554000000000 ] - [ -0.0000040500000000, 0.0002085200000000, 0.0001069600000000 ] - [ -0.0009988100000000, -0.0001260100000000, 0.0003420000000000 ] - [ 0.0018945900000000, 0.0124639000000000, -0.0024322600000000 ] - [ -0.0006222600000000, 0.0003721900000000, 0.0000525700000000 ] - [ -0.0002117500000000, 0.0006066100000000, -0.0002954300000000 ] - [ -0.0000917700000000, -0.0000910100000000, 0.0003392500000000 ] - [ -0.0004049000000000, -0.0002200200000000, -0.0001167100000000 ] - [ 0.0002748100000000, 0.0004410100000000, 0.0003488700000000 ] - [ -0.0015142400000000, 0.0018828800000000, -0.0007005500000000 ] - [ 0.0021171500000000, -0.0042332600000000, -0.0015564600000000 ] - [ -0.0001149300000000, -0.0018065200000000, 0.0006796200000000 ] - [ -0.0018366000000000, 0.0032832700000000, -0.0024846500000000 ] - [ 0.0080333000000000, 0.0054233700000000, -0.0002277600000000 ] - [ 0.0009012500000000, 0.0013686500000000, 0.0000402700000000 ] - [ 0.0000007700000000, 0.0000451300000000, 0.0002360300000000 ] - [ 0.0022649100000000, 0.0053671100000000, 0.0047164100000000 ] - [ -0.0000853800000000, 0.0009405400000000, 0.0003141800000000 ] - [ -0.0010515200000000, 0.0006331300000000, 0.0004209200000000 ] - [ 0.0006765000000000, 0.0011917200000000, 0.0008048900000000 ] - [ -0.0009644800000000, 0.0089763100000000, 0.0011779500000000 ] - [ -0.0001099600000000, 0.0009108500000000, -0.0008131100000000 ] - [ 0.0004598500000000, 0.0016480700000000, 0.0002888200000000 ] - [ -0.0002101300000000, 0.0004482700000000, -0.0004669100000000 ] - [ 0.0028800700000000, 0.0089740500000000, 0.0029052000000000 ] - [ 0.0012533000000000, 0.0007434500000000, 0.0019173500000000 ] - [ 0.0002147800000000, 0.0019677100000000, -0.0012094900000000 ] - [ 0.0000630700000000, 0.0008145400000000, 0.0003575800000000 ] - [ -0.0031059300000000, 0.0096623200000000, -0.0034331000000000 ] - [ -0.0008147600000000, 0.0014631300000000, 0.0014192200000000 ] - [ -0.0005514600000000, -0.0012779400000000, 0.0015088700000000 ] - [ -0.0015124700000000, -0.0011898200000000, -0.0009408900000000 ] - [ 0.0006109700000000, -0.0017735600000000, -0.0005673400000000 ] - [ -0.0014290600000000, -0.0031431000000000, 0.0017353800000000 ] - [ 0.0000742500000000, -0.0005043400000000, -0.0008030100000000 ] - [ 0.0000488900000000, 0.0000083500000000, 0.0004563600000000 ] - [ 0.0006625100000000, -0.0023357600000000, -0.0008714600000000 ] - [ 0.0004085000000000, -0.0003521800000000, -0.0000158200000000 ] - [ -0.0001968600000000, -0.0010243500000000, -0.0004199200000000 ] - [ -0.0000390500000000, -0.0004593900000000, 0.0003941200000000 ] - [ -0.0001962100000000, -0.0017342600000000, -0.0008975100000000 ] - [ -0.0004936200000000, -0.0006918900000000, -0.0001500400000000 ] - [ -0.0004748600000000, -0.0005936200000000, -0.0002635000000000 ] - [ -0.0000405400000000, -0.0025509600000000, 0.0013608100000000 ] - [ -0.0011159000000000, -0.0028401800000000, -0.0007286600000000 ] - [ 0.0004838200000000, -0.0010642900000000, 0.0003570300000000 ] - [ -0.0007203000000000, 0.0002772400000000, -0.0008132100000000 ] - [ 0.0011295500000000, 0.0003774300000000, 0.0001965900000000 ] - [ 0.0000800100000000, 0.0060233400000000, -0.0018276600000000 ] - [ -0.0004486300000000, 0.0005303400000000, 0.0001549300000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010191100000000, 0.0030660100000000, -0.0016143900000000 ] - [ 0.0002535200000000, 0.0001757000000000, 0.0000198400000000 ] - [ -0.0018790400000000, 0.0040100800000000, -0.0011976700000000 ] - [ 0.0009842700000000, 0.0022918100000000, -0.0000604300000000 ] - [ 0.0024894800000000, 0.0462752600000000, -0.0025296800000000 ] - [ 0.0006131600000000, 0.0003865900000000, 0.0005118000000000 ] - [ 0.0004645600000000, 0.0009391600000000, 0.0001748200000000 ] - [ 0.0003009700000000, 0.0014146300000000, -0.0001796700000000 ] - [ -0.0006630100000000, 0.0018361200000000, -0.0004539600000000 ] - [ 0.0034084400000000, 0.0034366100000000, 0.0010190000000000 ] - [ 0.0004826700000000, 0.0000998400000000, -0.0006842000000000 ] - [ 0.0001225000000000, -0.0000085600000000, 0.0001197900000000 ] - [ 0.0056974700000000, -0.0040476500000000, -0.0009881700000000 ] - [ 0.0003737100000000, -0.0001926600000000, 0.0007421800000000 ] - [ 0.0003681700000000, 0.0003933000000000, -0.0001570100000000 ] - [ 0.0000741700000000, 0.0003232600000000, 0.0001162300000000 ] - [ 0.0002668600000000, -0.0003048600000000, -0.0000839200000000 ] - [ -0.0001460500000000, -0.0010254800000000, -0.0005062600000000 ] - [ -0.0003092400000000, -0.0011177900000000, 0.0047304800000000 ] - [ 0.0002001900000000, 0.0002458000000000, -0.0004175400000000 ] - [ -0.0001404400000000, -0.0007507900000000, 0.0000551400000000 ] - [ -0.0000428000000000, -0.0005495300000000, -0.0002799300000000 ] - [ -0.0002573400000000, -0.0001431000000000, 0.0004909100000000 ] - [ -0.0001040400000000, -0.0014931900000000, -0.0004534700000000 ] - [ -0.0004161600000000, -0.0013315600000000, 0.0006247100000000 ] - [ -0.0005926900000000, -0.0011583000000000, -0.0000785400000000 ] - [ -0.0007930900000000, -0.0002435500000000, -0.0001965000000000 ] - [ -0.0006829100000000, -0.0001563700000000, 0.0000636400000000 ] - [ 0.0002509500000000, -0.0013336100000000, 0.0001401400000000 ] - [ -0.0001541700000000, -0.0006357700000000, 0.0001170000000000 ] - [ 0.0001881700000000, -0.0009607600000000, 0.0013707300000000 ] - [ -0.0001718400000000, -0.0000342300000000, 0.0001879800000000 ] - [ -0.0002527600000000, -0.0003983000000000, -0.0000018400000000 ] - [ -0.0031999800000000, -0.0132169200000000, 0.0021371900000000 ] - [ -0.0001043400000000, 0.0002245700000000, 0.0006131900000000 ] - [ -0.0005215500000000, -0.0000027000000000, -0.0003700700000000 ] - [ -0.0005386100000000, -0.0004659900000000, 0.0004532600000000 ] - [ -0.0002275700000000, -0.0003409700000000, -0.0006767000000000 ] - [ -0.0007421900000000, 0.0000784600000000, -0.0000454200000000 ] - [ 0.0010632500000000, -0.0013658400000000, 0.0003895800000000 ] - [ -0.0020793700000000, 0.0030043100000000, 0.0010322300000000 ] - [ 0.0001393000000000, 0.0005946700000000, -0.0001713200000000 ] - [ 0.0018606500000000, -0.0020963200000000, 0.0019827900000000 ] - [ -0.0079189700000000, -0.0042182200000000, 0.0007658800000000 ] - [ -0.0009241500000000, -0.0025816600000000, -0.0005268900000000 ] - [ -0.0000249300000000, -0.0012597100000000, 0.0002732700000000 ] - [ -0.0022604300000000, -0.0041611700000000, -0.0052590200000000 ] - [ 0.0000650200000000, 0.0002781900000000, 0.0001929300000000 ] - [ 0.0009916500000000, 0.0000055600000000, -0.0015412000000000 ] - [ -0.0007191000000000, -0.0005484500000000, 0.0003377500000000 ] - [ -0.0001493500000000, -0.0087776600000000, -0.0003422100000000 ] - [ -0.0008758900000000, -0.0005763000000000, 0.0001301400000000 ] - [ -0.0002163100000000, -0.0017479300000000, -0.0009213700000000 ] - [ 0.0004447600000000, -0.0005642900000000, 0.0011136900000000 ] - [ -0.0021027300000000, -0.0086907700000000, -0.0031325300000000 ] - [ -0.0006622700000000, -0.0005342700000000, -0.0015562700000000 ] - [ 0.0003927100000000, -0.0021804000000000, 0.0015955700000000 ] - [ 0.0005463200000000, -0.0010441800000000, -0.0007512500000000 ] - [ 0.0031318800000000, -0.0094357800000000, 0.0026141400000000 ] - [ 0.0010623200000000, -0.0013597600000000, -0.0007999900000000 ] - [ -0.0004133400000000, 0.0009585900000000, -0.0008494300000000 ] - [ 0.0005476300000000, 0.0008747900000000, 0.0002762000000000 ] - [ -0.0006714000000000, 0.0011500400000000, -0.0005507900000000 ] - [ 0.0013465900000000, 0.0024917500000000, -0.0006041300000000 ] - [ -0.0000335400000000, 0.0011569900000000, -0.0003419200000000 ] - [ 0.0000014500000000, 0.0006400100000000, 0.0006742600000000 ] - [ 0.0003296600000000, 0.0026533000000000, 0.0015422800000000 ] - [ 0.0005677800000000, 0.0006843300000000, -0.0006653800000000 ] - [ -0.0000347500000000, 0.0009009200000000, -0.0002258800000000 ] - [ -0.0002013000000000, 0.0003478900000000, 0.0002406000000000 ] - [ -0.0004158100000000, 0.0019552100000000, 0.0012856100000000 ] - [ -0.0001042800000000, 0.0009007700000000, -0.0002294000000000 ] - [ -0.0001296200000000, 0.0003729800000000, -0.0001264300000000 ] - [ -0.0005774900000000, 0.0023368400000000, -0.0009801200000000 ] - [ 0.0008832800000000, 0.0029619800000000, 0.0001049600000000 ] - [ -0.0007279700000000, 0.0011641100000000, 0.0002739000000000 ] - [ 0.0017126200000000, -0.0006205200000000, 0.0014962000000000 ] - [ -0.0001571600000000, -0.0007115100000000, -0.0008651700000000 ] - [ 0.0001911300000000, -0.0070682400000000, 0.0004295500000000 ] - [ 0.0005036200000000, -0.0011748200000000, 0.0009765300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018325400000000, 0.0007823900000000, 0.0121899300000000 ] - [ 0.0001879400000000, 0.0000526300000000, 0.0004292800000000 ] - [ 0.0002129300000000, 0.0009510400000000, -0.0049462400000000 ] - [ -0.0027190000000000, 0.0002705300000000, 0.0024792200000000 ] - [ -0.0072480500000000, 0.0019665300000000, -0.0463728300000000 ] - [ 0.0006464500000000, -0.0000969300000000, 0.0004723400000000 ] - [ 0.0008915000000000, 0.0001367200000000, 0.0011128200000000 ] - [ 0.0019147300000000, -0.0001611300000000, 0.0010973200000000 ] - [ 0.0028469000000000, 0.0008979100000000, 0.0017926300000000 ] - [ -0.0000756000000000, -0.0009870000000000, -0.0038559000000000 ] - [ -0.0002840900000000, 0.0007275400000000, 0.0001856000000000 ] - [ 0.0000876900000000, -0.0000685800000000, 0.0006312200000000 ] - [ -0.0004522500000000, 0.0006812700000000, -0.0032078400000000 ] - [ 0.0005140800000000, -0.0004821500000000, 0.0002416600000000 ] - [ 0.0005667900000000, 0.0004644900000000, 0.0007127200000000 ] - [ 0.0003450200000000, 0.0004805700000000, 0.0007370800000000 ] - [ 0.0001139500000000, -0.0000223300000000, 0.0005728200000000 ] - [ 0.0008187500000000, 0.0004341400000000, 0.0012957800000000 ] - [ -0.0005734100000000, -0.0044153800000000, 0.0046693300000000 ] - [ 0.0006991800000000, 0.0002328400000000, -0.0013414200000000 ] - [ -0.0003207600000000, -0.0004517700000000, 0.0003622100000000 ] - [ -0.0003160300000000, -0.0001280400000000, 0.0002671900000000 ] - [ -0.0000697600000000, 0.0000808600000000, 0.0005161500000000 ] - [ -0.0003337200000000, 0.0004241100000000, -0.0011185900000000 ] - [ -0.0005933700000000, 0.0000233500000000, 0.0004825400000000 ] - [ -0.0003593900000000, -0.0005262100000000, -0.0012041000000000 ] - [ -0.0007678300000000, 0.0002872600000000, 0.0003829300000000 ] - [ -0.0006856300000000, 0.0004363200000000, 0.0003326800000000 ] - [ -0.0003807000000000, -0.0001731200000000, -0.0000173000000000 ] - [ 0.0000446400000000, -0.0000163100000000, -0.0005535300000000 ] - [ 0.0004064000000000, -0.0018038400000000, 0.0015106900000000 ] - [ -0.0003281600000000, -0.0001116000000000, 0.0005564600000000 ] - [ -0.0009661600000000, -0.0002403900000000, 0.0004147900000000 ] - [ -0.0002305800000000, -0.0023082900000000, -0.0044655400000000 ] - [ -0.0000793300000000, -0.0000105200000000, 0.0004326100000000 ] - [ -0.0000996800000000, 0.0002534200000000, 0.0004817900000000 ] - [ -0.0006752500000000, -0.0005226100000000, 0.0003467700000000 ] - [ -0.0003993800000000, -0.0003194500000000, 0.0006800400000000 ] - [ 0.0002183700000000, 0.0003186700000000, 0.0002169000000000 ] - [ -0.0006231300000000, 0.0005692200000000, -0.0015223700000000 ] - [ -0.0044792200000000, 0.0012231000000000, 0.0042794600000000 ] - [ -0.0000221400000000, 0.0002176600000000, 0.0025897200000000 ] - [ 0.0024890400000000, -0.0017307500000000, 0.0029358300000000 ] - [ 0.0008660200000000, 0.0022766300000000, -0.0059164500000000 ] - [ 0.0000836600000000, -0.0004006100000000, 0.0002247900000000 ] - [ -0.0000184800000000, -0.0006489000000000, 0.0011725500000000 ] - [ 0.0010999400000000, 0.0054396000000000, 0.0034412600000000 ] - [ -0.0004828800000000, 0.0004741300000000, -0.0015939100000000 ] - [ 0.0011071100000000, 0.0006762600000000, -0.0026107300000000 ] - [ -0.0010393700000000, 0.0006731400000000, -0.0016999200000000 ] - [ 0.0002846300000000, -0.0000173100000000, 0.0075011900000000 ] - [ -0.0002495700000000, 0.0001363800000000, -0.0014544900000000 ] - [ 0.0008653600000000, -0.0011982800000000, -0.0029570700000000 ] - [ 0.0001151200000000, -0.0000826600000000, -0.0010409000000000 ] - [ 0.0033562700000000, 0.0016893000000000, 0.0119640900000000 ] - [ -0.0006368900000000, -0.0000806000000000, -0.0017853000000000 ] - [ 0.0018462900000000, -0.0018557400000000, 0.0015306100000000 ] - [ 0.0013520000000000, 0.0000685500000000, -0.0025874000000000 ] - [ 0.0039112700000000, -0.0028577700000000, 0.0101486300000000 ] - [ 0.0002909800000000, 0.0010056900000000, 0.0025247400000000 ] - [ -0.0004583500000000, 0.0006343200000000, -0.0015487700000000 ] - [ -0.0019155400000000, -0.0016165500000000, 0.0002219200000000 ] - [ -0.0017235100000000, 0.0013490100000000, 0.0003208000000000 ] - [ 0.0011737500000000, -0.0000363500000000, 0.0022702100000000 ] - [ -0.0000667700000000, 0.0000107300000000, -0.0015547100000000 ] - [ 0.0001663100000000, 0.0000645300000000, -0.0000785300000000 ] - [ 0.0009262000000000, -0.0006280400000000, 0.0009883900000000 ] - [ 0.0005977100000000, 0.0002484000000000, -0.0008729200000000 ] - [ -0.0002356800000000, 0.0004210400000000, -0.0014126200000000 ] - [ -0.0002062100000000, 0.0001465000000000, -0.0001505500000000 ] - [ -0.0000919500000000, -0.0006225600000000, -0.0010064500000000 ] - [ 0.0001675700000000, 0.0005421100000000, 0.0006444200000000 ] - [ -0.0005517100000000, -0.0001060200000000, -0.0008263300000000 ] - [ -0.0008558700000000, 0.0004948900000000, 0.0010086300000000 ] - [ -0.0011155800000000, -0.0009263300000000, 0.0006126300000000 ] - [ 0.0004395900000000, -0.0001837300000000, 0.0009222600000000 ] - [ -0.0002506900000000, -0.0011222000000000, -0.0017105000000000 ] - [ 0.0002135700000000, 0.0005921400000000, 0.0008576600000000 ] - [ -0.0000006900000000, -0.0008746500000000, 0.0059888400000000 ] - [ -0.0007179400000000, -0.0010212600000000, 0.0016610800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013552900000000, -0.0012313600000000, -0.0116446000000000 ] - [ 0.0002570200000000, -0.0004490300000000, -0.0007991300000000 ] - [ 0.0004013100000000, -0.0004502700000000, 0.0042738800000000 ] - [ 0.0033125700000000, 0.0002023300000000, -0.0017793900000000 ] - [ 0.0081429300000000, -0.0026437600000000, 0.0453685100000000 ] - [ 0.0000795100000000, -0.0004784100000000, 0.0002122000000000 ] - [ 0.0004691500000000, 0.0004307600000000, -0.0015054300000000 ] - [ -0.0005469500000000, 0.0007327600000000, -0.0007304000000000 ] - [ -0.0026380000000000, -0.0010273500000000, -0.0020645100000000 ] - [ 0.0002564800000000, 0.0008432500000000, 0.0041381800000000 ] - [ 0.0005306400000000, -0.0005845900000000, -0.0004594800000000 ] - [ 0.0001612000000000, 0.0002073400000000, -0.0003556800000000 ] - [ 0.0018215800000000, -0.0012553000000000, 0.0028146100000000 ] - [ 0.0008509900000000, -0.0000648100000000, 0.0000922300000000 ] - [ 0.0001704500000000, 0.0001282500000000, -0.0013870000000000 ] - [ 0.0003752900000000, 0.0000901800000000, -0.0000539600000000 ] - [ 0.0004182200000000, -0.0004671200000000, -0.0012245900000000 ] - [ -0.0002730700000000, -0.0009059600000000, -0.0006108900000000 ] - [ 0.0010088000000000, 0.0049230400000000, -0.0044057500000000 ] - [ -0.0002335600000000, 0.0001943200000000, 0.0009996700000000 ] - [ -0.0000522000000000, 0.0000109200000000, -0.0000223700000000 ] - [ -0.0001562200000000, -0.0003050800000000, -0.0006201700000000 ] - [ -0.0004817700000000, 0.0004113900000000, 0.0001764400000000 ] - [ -0.0001991300000000, 0.0000618200000000, 0.0005050900000000 ] - [ -0.0001338400000000, -0.0005896100000000, 0.0001957200000000 ] - [ -0.0003646200000000, -0.0000456300000000, 0.0005299200000000 ] - [ -0.0005836300000000, 0.0002991900000000, -0.0008081100000000 ] - [ -0.0006838700000000, 0.0001224600000000, 0.0000277600000000 ] - [ 0.0001458100000000, 0.0000551600000000, -0.0002452300000000 ] - [ -0.0003186100000000, -0.0001129800000000, 0.0008287000000000 ] - [ -0.0006480800000000, 0.0018905200000000, -0.0017657600000000 ] - [ 0.0000641900000000, 0.0002327600000000, -0.0002761300000000 ] - [ -0.0003854300000000, -0.0003167600000000, -0.0000616600000000 ] - [ -0.0011429900000000, 0.0017864100000000, 0.0040365700000000 ] - [ -0.0006423400000000, 0.0005760500000000, 0.0002448400000000 ] - [ -0.0006223100000000, 0.0003345100000000, -0.0011469300000000 ] - [ 0.0001173300000000, 0.0000374000000000, 0.0003161300000000 ] - [ -0.0001365500000000, -0.0001810300000000, -0.0013498100000000 ] - [ -0.0006583400000000, 0.0001176500000000, 0.0001176000000000 ] - [ 0.0001564000000000, -0.0001658600000000, 0.0011761500000000 ] - [ 0.0044741400000000, -0.0024773000000000, -0.0047838000000000 ] - [ 0.0000393800000000, -0.0014622900000000, -0.0020779600000000 ] - [ -0.0024823000000000, 0.0029491000000000, -0.0034346400000000 ] - [ -0.0009014500000000, -0.0010685200000000, 0.0064448500000000 ] - [ -0.0000988600000000, -0.0008211900000000, -0.0007359000000000 ] - [ 0.0000080900000000, -0.0005865500000000, -0.0006551000000000 ] - [ -0.0010885500000000, -0.0042527200000000, -0.0039490000000000 ] - [ 0.0004750200000000, 0.0007607900000000, 0.0021021500000000 ] - [ -0.0011457900000000, -0.0000125900000000, 0.0014547200000000 ] - [ 0.0009753900000000, -0.0000313500000000, 0.0028186000000000 ] - [ -0.0015461600000000, 0.0001470000000000, -0.0064093600000000 ] - [ -0.0007293400000000, 0.0001946500000000, 0.0007795600000000 ] - [ -0.0006035300000000, 0.0010707200000000, 0.0022848400000000 ] - [ 0.0001400700000000, -0.0000244800000000, 0.0016896000000000 ] - [ -0.0024459600000000, -0.0012704200000000, -0.0120813800000000 ] - [ 0.0012446800000000, 0.0003306700000000, 0.0021831300000000 ] - [ -0.0012379000000000, 0.0016144200000000, -0.0011276600000000 ] - [ -0.0007673300000000, -0.0002874100000000, 0.0022222600000000 ] - [ -0.0040183500000000, 0.0032448700000000, -0.0110844800000000 ] - [ -0.0000231200000000, -0.0008988600000000, -0.0018828600000000 ] - [ -0.0005369100000000, -0.0009882600000000, 0.0022525600000000 ] - [ 0.0009458400000000, 0.0012876000000000, -0.0008922800000000 ] - [ 0.0016899400000000, -0.0020210900000000, -0.0014847100000000 ] - [ -0.0012315400000000, -0.0006117100000000, -0.0011427900000000 ] - [ 0.0001080300000000, 0.0006518000000000, 0.0004060400000000 ] - [ -0.0001031400000000, 0.0005686400000000, 0.0012015200000000 ] - [ 0.0000596300000000, 0.0009734400000000, -0.0002826500000000 ] - [ 0.0003655900000000, 0.0000728900000000, 0.0001963900000000 ] - [ 0.0000002000000000, -0.0005450400000000, 0.0007504800000000 ] - [ -0.0000662800000000, -0.0002510500000000, 0.0007837400000000 ] - [ -0.0005197700000000, 0.0008580700000000, 0.0013913600000000 ] - [ -0.0007607700000000, -0.0003086700000000, -0.0010231200000000 ] - [ -0.0000390900000000, -0.0001030300000000, 0.0004559800000000 ] - [ 0.0002507100000000, -0.0007297700000000, -0.0005989400000000 ] - [ 0.0008567200000000, 0.0010531800000000, -0.0012795600000000 ] - [ -0.0006983400000000, 0.0002967000000000, -0.0002848800000000 ] - [ 0.0012404500000000, 0.0007862200000000, 0.0024108100000000 ] - [ 0.0007644100000000, -0.0009278700000000, -0.0015293300000000 ] - [ 0.0001545100000000, 0.0000318100000000, -0.0072990100000000 ] - [ 0.0007686300000000, 0.0003739600000000, -0.0005264000000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008449800000000, 0.0002001900000000, -0.0017774500000000 ] - [ 0.0112115000000000, -0.0027621500000000, 0.0012047200000000 ] - [ 0.0000324300000000, 0.0003456700000000, -0.0003942900000000 ] - [ 0.0011883900000000, 0.0000434300000000, 0.0007812600000000 ] - [ 0.0002184000000000, -0.0001414800000000, -0.0001799800000000 ] - [ 0.0019016200000000, 0.0000218100000000, -0.0008290600000000 ] - [ -0.0281336700000000, 0.0094167700000000, 0.0031286200000000 ] - [ 0.0013227400000000, 0.0004334100000000, -0.0000589400000000 ] - [ -0.0052426100000000, 0.0007565200000000, -0.0026249300000000 ] - [ 0.0003886600000000, -0.0000186900000000, 0.0002110800000000 ] - [ -0.0002709500000000, 0.0002169700000000, -0.0002900900000000 ] - [ 0.0007144400000000, 0.0004283100000000, -0.0001631800000000 ] - [ 0.0002922900000000, -0.0002792400000000, -0.0003891300000000 ] - [ 0.0014294100000000, 0.0000080800000000, 0.0004463200000000 ] - [ 0.0024842800000000, 0.0054368800000000, -0.0015363300000000 ] - [ 0.0005843000000000, 0.0000493500000000, 0.0005583100000000 ] - [ -0.0020911700000000, -0.0037534100000000, 0.0007574500000000 ] - [ 0.0005631600000000, -0.0002640800000000, 0.0002950400000000 ] - [ 0.0002639500000000, 0.0013842800000000, 0.0014743400000000 ] - [ 0.0005118000000000, 0.0002806800000000, -0.0004020900000000 ] - [ -0.0007180300000000, 0.0000932000000000, 0.0002045600000000 ] - [ 0.0002007900000000, -0.0003692000000000, -0.0002209700000000 ] - [ -0.0001522200000000, 0.0000200600000000, 0.0003463700000000 ] - [ -0.0002765200000000, 0.0001575800000000, -0.0003337600000000 ] - [ -0.0000033800000000, -0.0003550800000000, 0.0003975600000000 ] - [ -0.0008535100000000, -0.0004598400000000, -0.0002962200000000 ] - [ -0.0006532000000000, -0.0000147200000000, -0.0002376500000000 ] - [ -0.0004245300000000, 0.0003634200000000, 0.0001919900000000 ] - [ -0.0001174000000000, -0.0003701900000000, -0.0000547400000000 ] - [ 0.0001658300000000, -0.0001055200000000, 0.0000807400000000 ] - [ -0.0004207200000000, -0.0004952600000000, -0.0011034800000000 ] - [ 0.0017704100000000, 0.0014172400000000, -0.0001299500000000 ] - [ -0.0002519700000000, -0.0000181800000000, -0.0000734700000000 ] - [ -0.0007598800000000, -0.0001640100000000, 0.0000687500000000 ] - [ 0.0002291100000000, -0.0000752100000000, 0.0001016000000000 ] - [ -0.0038947100000000, 0.0028725600000000, -0.0008543600000000 ] - [ 0.0004486200000000, 0.0002697700000000, 0.0009435000000000 ] - [ 0.0018962300000000, -0.0041595800000000, -0.0007432300000000 ] - [ -0.0014460700000000, 0.0001318900000000, 0.0002886900000000 ] - [ 0.0001023000000000, 0.0002045900000000, -0.0000921300000000 ] - [ -0.0073416900000000, -0.0046181100000000, 0.0055092400000000 ] - [ 0.0050055700000000, -0.0008638700000000, 0.0001889200000000 ] - [ -0.0045125900000000, -0.0020361000000000, -0.0024846200000000 ] - [ 0.0005160200000000, 0.0005355300000000, 0.0002989500000000 ] - [ -0.0000094800000000, -0.0006981800000000, -0.0005774700000000 ] - [ 0.0003859700000000, -0.0005063900000000, 0.0003792700000000 ] - [ 0.0022896000000000, -0.0015826200000000, 0.0019975500000000 ] - [ 0.0004167900000000, 0.0006445300000000, 0.0004909300000000 ] - [ 0.0022939800000000, -0.0021213100000000, -0.0067418500000000 ] - [ -0.0032843700000000, 0.0008324100000000, 0.0020449500000000 ] - [ 0.0009298200000000, 0.0005632300000000, 0.0003608600000000 ] - [ -0.0036042200000000, 0.0003195800000000, -0.0003616500000000 ] - [ 0.0098450500000000, 0.0042390300000000, -0.0039860600000000 ] - [ -0.0021102900000000, -0.0001177300000000, 0.0005404200000000 ] - [ 0.0000740000000000, -0.0000419000000000, 0.0000792700000000 ] - [ 0.0088442700000000, 0.0006050600000000, 0.0007014000000000 ] - [ 0.0013441000000000, 0.0005191100000000, 0.0004441800000000 ] - [ -0.0035943100000000, -0.0013469900000000, -0.0007794000000000 ] - [ 0.0022396500000000, -0.0006873600000000, -0.0000300100000000 ] - [ -0.0009218000000000, 0.0000579600000000, 0.0004163100000000 ] - [ 0.0019888300000000, -0.0003929400000000, -0.0006572900000000 ] - [ -0.0009319700000000, -0.0002919800000000, -0.0003728800000000 ] - [ 0.0003278400000000, 0.0007576000000000, 0.0004845400000000 ] - [ -0.0002674900000000, -0.0002713200000000, 0.0003318200000000 ] - [ -0.0003219500000000, 0.0000533100000000, -0.0003787300000000 ] - [ 0.0003696900000000, 0.0004756600000000, 0.0002311000000000 ] - [ 0.0009935500000000, 0.0003340700000000, 0.0006852000000000 ] - [ -0.0003995800000000, 0.0002434600000000, -0.0003591200000000 ] - [ 0.0008347400000000, 0.0005875200000000, 0.0003551500000000 ] - [ -0.0010651700000000, -0.0004291200000000, 0.0003162500000000 ] - [ -0.0011041300000000, 0.0009578300000000, 0.0000754800000000 ] - [ -0.0003640000000000, -0.0001027500000000, -0.0005702400000000 ] - [ 0.0000837600000000, -0.0009581600000000, 0.0002855500000000 ] - [ -0.0005047500000000, -0.0000359200000000, 0.0003916500000000 ] - [ 0.0002624700000000, 0.0009978100000000, -0.0013391300000000 ] - [ -0.0005753900000000, 0.0000209000000000, 0.0002680300000000 ] - [ 0.0094946800000000, -0.0048129500000000, 0.0039070600000000 ] - [ -0.0003235600000000, -0.0002086400000000, -0.0005548300000000 ] - [ -0.0006977700000000, -0.0003420600000000, -0.0014708900000000 ] - [ 0.0003390600000000, -0.0010249700000000, 0.0011846000000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003741600000000, -0.0007222200000000, 0.0020833200000000 ] - [ -0.0109380800000000, 0.0022813600000000, -0.0015611400000000 ] - [ 0.0006172200000000, 0.0002116900000000, -0.0003977700000000 ] - [ -0.0005268300000000, 0.0005169800000000, 0.0000066800000000 ] - [ 0.0005231300000000, -0.0004663000000000, -0.0004902100000000 ] - [ -0.0011637600000000, -0.0006334700000000, 0.0015125600000000 ] - [ 0.0299197600000000, -0.0090506600000000, -0.0036028400000000 ] - [ -0.0000995000000000, 0.0000663400000000, 0.0003728000000000 ] - [ 0.0054449700000000, -0.0009235700000000, 0.0022493700000000 ] - [ -0.0002190400000000, -0.0001679900000000, 0.0000786300000000 ] - [ 0.0004516500000000, -0.0000535800000000, 0.0000283900000000 ] - [ -0.0005287800000000, -0.0002422400000000, 0.0004474400000000 ] - [ 0.0009267300000000, -0.0002313200000000, 0.0000439100000000 ] - [ -0.0002053700000000, -0.0005007000000000, -0.0001148600000000 ] - [ -0.0017588000000000, -0.0047756900000000, 0.0008441500000000 ] - [ 0.0001483200000000, 0.0005589500000000, 0.0001159100000000 ] - [ 0.0027847100000000, 0.0031497200000000, -0.0015302000000000 ] - [ 0.0000905000000000, -0.0002986700000000, 0.0004764500000000 ] - [ 0.0002025200000000, -0.0008436600000000, -0.0011361500000000 ] - [ -0.0000374500000000, 0.0002552700000000, 0.0000733300000000 ] - [ 0.0002421500000000, -0.0006200400000000, 0.0001137800000000 ] - [ -0.0006761500000000, -0.0001592900000000, -0.0000950300000000 ] - [ -0.0005049200000000, 0.0005484900000000, 0.0004361300000000 ] - [ -0.0003759100000000, 0.0004150300000000, -0.0004477200000000 ] - [ -0.0007237800000000, -0.0002451700000000, 0.0002765800000000 ] - [ 0.0001185400000000, -0.0001367500000000, -0.0003788100000000 ] - [ -0.0005639900000000, 0.0005272200000000, -0.0000937800000000 ] - [ -0.0007849600000000, 0.0001440500000000, 0.0001293000000000 ] - [ -0.0000535700000000, 0.0001882300000000, -0.0002228900000000 ] - [ -0.0003435900000000, -0.0000712500000000, 0.0002037300000000 ] - [ 0.0002407200000000, 0.0006681700000000, 0.0008229000000000 ] - [ -0.0019595300000000, -0.0012471700000000, 0.0004088200000000 ] - [ -0.0009641100000000, -0.0004884900000000, 0.0004000800000000 ] - [ -0.0004571700000000, -0.0003448400000000, -0.0004042000000000 ] - [ -0.0009524400000000, 0.0006877600000000, 0.0005691100000000 ] - [ 0.0031950100000000, -0.0022087400000000, 0.0001901400000000 ] - [ -0.0010990900000000, -0.0008324000000000, -0.0001602400000000 ] - [ -0.0025414700000000, 0.0035452800000000, -0.0000378400000000 ] - [ 0.0009773300000000, 0.0004105000000000, 0.0000326400000000 ] - [ -0.0005739900000000, 0.0003373200000000, -0.0002319000000000 ] - [ 0.0074610500000000, 0.0034671400000000, -0.0059234700000000 ] - [ -0.0049146700000000, -0.0003091700000000, 0.0003171400000000 ] - [ 0.0045688200000000, 0.0031754000000000, 0.0019511700000000 ] - [ -0.0004599200000000, 0.0006298600000000, 0.0002193600000000 ] - [ -0.0000513600000000, -0.0004640200000000, 0.0000704000000000 ] - [ -0.0004208900000000, -0.0006583600000000, 0.0001306300000000 ] - [ -0.0023564300000000, 0.0027579200000000, -0.0025164700000000 ] - [ -0.0004596800000000, 0.0005239700000000, 0.0000203800000000 ] - [ -0.0024904100000000, 0.0027490200000000, 0.0052895200000000 ] - [ 0.0032265300000000, -0.0001713700000000, -0.0007161600000000 ] - [ -0.0020899500000000, -0.0001039200000000, 0.0004263300000000 ] - [ 0.0024798200000000, 0.0001557400000000, -0.0003963000000000 ] - [ -0.0097924400000000, -0.0043274900000000, 0.0032083400000000 ] - [ 0.0022475300000000, 0.0000126700000000, 0.0001317600000000 ] - [ 0.0006108200000000, 0.0004013300000000, -0.0005488400000000 ] - [ -0.0084350500000000, 0.0000656800000000, 0.0000751900000000 ] - [ -0.0006495500000000, -0.0009307100000000, 0.0000871300000000 ] - [ 0.0042518300000000, 0.0009536400000000, 0.0003004000000000 ] - [ -0.0021414200000000, 0.0008270900000000, -0.0006805900000000 ] - [ 0.0010493100000000, 0.0000336500000000, 0.0002253400000000 ] - [ -0.0031536800000000, -0.0000910000000000, 0.0014625100000000 ] - [ -0.0001935600000000, -0.0001660100000000, -0.0003612900000000 ] - [ -0.0003204500000000, -0.0014416800000000, -0.0018208600000000 ] - [ 0.0002351000000000, -0.0003572600000000, 0.0009372800000000 ] - [ 0.0003256000000000, 0.0006236400000000, -0.0009607800000000 ] - [ -0.0003162100000000, 0.0001319900000000, 0.0010207200000000 ] - [ 0.0001836000000000, 0.0001392200000000, 0.0001065400000000 ] - [ 0.0014833100000000, 0.0001858300000000, -0.0003379300000000 ] - [ -0.0009271000000000, -0.0007152600000000, -0.0010675600000000 ] - [ 0.0008880900000000, 0.0003503000000000, 0.0003324700000000 ] - [ 0.0004535100000000, -0.0006210800000000, 0.0003686500000000 ] - [ -0.0002928700000000, 0.0004288900000000, 0.0001421600000000 ] - [ -0.0007596200000000, 0.0006168700000000, -0.0007275500000000 ] - [ -0.0002066000000000, -0.0003683000000000, 0.0000975200000000 ] - [ -0.0003900200000000, -0.0009350900000000, 0.0007231700000000 ] - [ 0.0003976100000000, 0.0000284000000000, 0.0003574000000000 ] - [ -0.0083653400000000, 0.0042213000000000, -0.0030622300000000 ] - [ 0.0014083500000000, -0.0002149500000000, -0.0001681500000000 ] - [ 0.0007479800000000, -0.0002746800000000, 0.0002211500000000 ] - [ -0.0002884200000000, 0.0004226400000000, 0.0000549700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012419800000000, -0.0012867300000000, -0.0004563100000000 ] - [ -0.0025203900000000, -0.0031779900000000, -0.0012255900000000 ] - [ 0.0002389100000000, -0.0003782200000000, -0.0003570400000000 ] - [ -0.0001133000000000, -0.0004528900000000, 0.0005264100000000 ] - [ 0.0007295900000000, -0.0009736600000000, -0.0004998900000000 ] - [ -0.0002855500000000, -0.0014456200000000, 0.0007966500000000 ] - [ 0.0097271800000000, -0.0577056800000000, 0.0195986900000000 ] - [ 0.0008047000000000, -0.0001873200000000, 0.0003093700000000 ] - [ 0.0008908000000000, -0.0058334900000000, -0.0026399600000000 ] - [ -0.0000947900000000, -0.0006041400000000, 0.0000625600000000 ] - [ -0.0002194600000000, 0.0013296600000000, -0.0012355300000000 ] - [ 0.0001301000000000, 0.0003150700000000, 0.0000208900000000 ] - [ 0.0006455300000000, 0.0000429100000000, -0.0000633800000000 ] - [ 0.0003715000000000, 0.0000243500000000, 0.0002836800000000 ] - [ 0.0049744800000000, 0.0041074000000000, -0.0013309000000000 ] - [ -0.0000125900000000, 0.0002252900000000, 0.0001364800000000 ] - [ -0.0034563800000000, 0.0116287000000000, -0.0023502800000000 ] - [ 0.0005102000000000, -0.0001744800000000, 0.0003534800000000 ] - [ 0.0013363200000000, 0.0003109000000000, 0.0011407900000000 ] - [ 0.0000023700000000, 0.0002250000000000, 0.0001436200000000 ] - [ 0.0000316400000000, 0.0003962600000000, 0.0003392300000000 ] - [ -0.0004591800000000, 0.0001330300000000, 0.0000547800000000 ] - [ -0.0004718900000000, 0.0009707300000000, 0.0002020800000000 ] - [ -0.0003982900000000, 0.0006964700000000, -0.0004789600000000 ] - [ -0.0005774000000000, 0.0001155200000000, 0.0001924400000000 ] - [ -0.0000722100000000, 0.0002015500000000, -0.0003693500000000 ] - [ -0.0003475100000000, 0.0019108200000000, -0.0004804500000000 ] - [ -0.0007336800000000, 0.0006024300000000, 0.0001075700000000 ] - [ 0.0003376500000000, 0.0010456900000000, 0.0001508000000000 ] - [ -0.0002708900000000, 0.0002960800000000, 0.0002470100000000 ] - [ -0.0005991500000000, 0.0000310800000000, 0.0008245100000000 ] - [ 0.0012253600000000, 0.0006374300000000, -0.0000063100000000 ] - [ -0.0003867600000000, -0.0003541100000000, -0.0000109200000000 ] - [ -0.0005358700000000, -0.0003241100000000, -0.0005709900000000 ] - [ -0.0003646000000000, 0.0004363200000000, 0.0003856700000000 ] - [ 0.0024918000000000, 0.0130257200000000, 0.0016663700000000 ] - [ 0.0000105200000000, 0.0002822200000000, 0.0007865400000000 ] - [ -0.0036743600000000, 0.0020949300000000, 0.0006228800000000 ] - [ 0.0008634500000000, 0.0017446900000000, -0.0012109400000000 ] - [ -0.0003786100000000, 0.0005071800000000, -0.0002916900000000 ] - [ -0.0040421400000000, -0.0101233100000000, -0.0007466700000000 ] - [ 0.0000293800000000, -0.0024866500000000, -0.0002863600000000 ] - [ -0.0000917100000000, 0.0046086900000000, 0.0054602200000000 ] - [ -0.0000684600000000, 0.0008030100000000, 0.0003465800000000 ] - [ -0.0006187400000000, 0.0011378000000000, 0.0002636500000000 ] - [ -0.0000861000000000, 0.0014012400000000, 0.0010111200000000 ] - [ -0.0032248600000000, 0.0041296800000000, -0.0037521100000000 ] - [ -0.0001052100000000, 0.0008738200000000, 0.0003281100000000 ] - [ -0.0027235300000000, 0.0063608100000000, -0.0048676500000000 ] - [ 0.0009580000000000, 0.0015780700000000, -0.0000098400000000 ] - [ -0.0003967500000000, 0.0021114700000000, 0.0009319400000000 ] - [ -0.0005070200000000, 0.0014550100000000, -0.0000558500000000 ] - [ 0.0031523500000000, 0.0145966600000000, -0.0055413700000000 ] - [ 0.0002470400000000, 0.0007648600000000, 0.0006695700000000 ] - [ -0.0000291100000000, 0.0005209200000000, 0.0000281000000000 ] - [ -0.0000515200000000, 0.0073061500000000, -0.0007699900000000 ] - [ 0.0016062900000000, 0.0008257600000000, 0.0008909500000000 ] - [ -0.0013626400000000, 0.0007726900000000, -0.0004935200000000 ] - [ -0.0010274900000000, 0.0012644200000000, -0.0020069900000000 ] - [ 0.0006874400000000, 0.0004041200000000, -0.0000993800000000 ] - [ -0.0016953800000000, -0.0043401200000000, -0.0014824700000000 ] - [ -0.0003547800000000, -0.0004089200000000, -0.0004108900000000 ] - [ 0.0003430800000000, -0.0016511300000000, -0.0017354600000000 ] - [ -0.0001930100000000, -0.0009057100000000, 0.0004393800000000 ] - [ -0.0002064400000000, -0.0011202600000000, -0.0002544900000000 ] - [ 0.0009433500000000, -0.0015819900000000, 0.0009037200000000 ] - [ 0.0002125600000000, -0.0010101700000000, 0.0002616300000000 ] - [ 0.0006321900000000, -0.0009585200000000, -0.0002165800000000 ] - [ 0.0008226100000000, -0.0028128400000000, -0.0019767500000000 ] - [ -0.0001772800000000, -0.0009066800000000, 0.0002314700000000 ] - [ 0.0010460600000000, -0.0024190000000000, 0.0000673000000000 ] - [ -0.0003424100000000, -0.0004547900000000, -0.0003905300000000 ] - [ -0.0016727000000000, -0.0023678100000000, -0.0000612400000000 ] - [ -0.0001495800000000, -0.0005047700000000, 0.0001494200000000 ] - [ -0.0003574600000000, -0.0020449600000000, 0.0011808900000000 ] - [ 0.0000452000000000, -0.0003736600000000, 0.0004064400000000 ] - [ -0.0030257100000000, 0.0142828900000000, -0.0055017300000000 ] - [ 0.0004301100000000, -0.0001195600000000, -0.0005668000000000 ] - [ 0.0014280600000000, 0.0003471500000000, 0.0011662000000000 ] - [ -0.0006648900000000, 0.0006066600000000, 0.0011159500000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007825500000000, 0.0007688800000000, 0.0007643600000000 ] - [ 0.0030301700000000, 0.0026255700000000, 0.0009231300000000 ] - [ 0.0003897400000000, 0.0009353400000000, -0.0004234900000000 ] - [ 0.0007452900000000, 0.0010101100000000, 0.0002614800000000 ] - [ 0.0000000000000000, 0.0003727700000000, -0.0001589500000000 ] - [ 0.0010145700000000, 0.0008500600000000, -0.0001399600000000 ] - [ -0.0087452700000000, 0.0584593000000000, -0.0200748600000000 ] - [ 0.0004439700000000, 0.0007131100000000, 0.0000335000000000 ] - [ -0.0006864800000000, 0.0057002200000000, 0.0022409000000000 ] - [ 0.0002767000000000, 0.0004394700000000, 0.0002313000000000 ] - [ 0.0004067400000000, -0.0011675100000000, 0.0009345200000000 ] - [ 0.0000591200000000, -0.0001500000000000, 0.0002718300000000 ] - [ 0.0006030200000000, -0.0005702500000000, -0.0002780400000000 ] - [ 0.0008813800000000, -0.0005498100000000, 0.0000577300000000 ] - [ -0.0041941900000000, -0.0034855300000000, 0.0006432600000000 ] - [ 0.0007408600000000, 0.0003705000000000, 0.0005146600000000 ] - [ 0.0039990700000000, -0.0119709600000000, 0.0015235700000000 ] - [ 0.0001201000000000, -0.0003842500000000, 0.0004288300000000 ] - [ -0.0008688200000000, 0.0002079700000000, -0.0008268700000000 ] - [ 0.0004637000000000, 0.0002958900000000, -0.0004465900000000 ] - [ -0.0004990600000000, -0.0009230500000000, -0.0000330900000000 ] - [ -0.0000022300000000, -0.0006517500000000, -0.0003569700000000 ] - [ -0.0001597100000000, -0.0004180300000000, 0.0005848600000000 ] - [ -0.0002328900000000, -0.0001416700000000, -0.0003094300000000 ] - [ -0.0001555700000000, -0.0007162300000000, 0.0004673100000000 ] - [ -0.0006577100000000, -0.0007960600000000, -0.0002977300000000 ] - [ -0.0008962600000000, -0.0013850400000000, 0.0001351700000000 ] - [ -0.0005173600000000, -0.0000826200000000, 0.0002344600000000 ] - [ -0.0005167200000000, -0.0012065400000000, -0.0004347700000000 ] - [ 0.0000905800000000, -0.0004654400000000, 0.0000476500000000 ] - [ 0.0004197600000000, 0.0001425000000000, -0.0011229700000000 ] - [ -0.0014072500000000, -0.0004669300000000, 0.0002890400000000 ] - [ -0.0008667400000000, -0.0001641000000000, 0.0003541300000000 ] - [ -0.0007178200000000, -0.0001930400000000, 0.0002321300000000 ] - [ -0.0003640400000000, 0.0001614100000000, 0.0002790900000000 ] - [ -0.0032845900000000, -0.0126535800000000, -0.0023702200000000 ] - [ -0.0006413300000000, -0.0008350100000000, -0.0000003600000000 ] - [ 0.0030834500000000, -0.0026593100000000, -0.0014051300000000 ] - [ -0.0013233200000000, -0.0012299500000000, 0.0015284000000000 ] - [ -0.0000751100000000, 0.0000134100000000, -0.0000166900000000 ] - [ 0.0040839400000000, 0.0089024100000000, 0.0003672800000000 ] - [ -0.0000140200000000, 0.0012690200000000, 0.0007922900000000 ] - [ 0.0000662900000000, -0.0033983300000000, -0.0059203700000000 ] - [ 0.0000871600000000, 0.0004104500000000, 0.0001640400000000 ] - [ 0.0006049800000000, -0.0023655700000000, -0.0007842600000000 ] - [ 0.0000513300000000, -0.0026227800000000, -0.0005059400000000 ] - [ 0.0031922600000000, -0.0029165700000000, 0.0032477100000000 ] - [ 0.0000799200000000, 0.0003434600000000, 0.0001803700000000 ] - [ 0.0026031400000000, -0.0058436200000000, 0.0036679400000000 ] - [ -0.0010118100000000, -0.0009495500000000, 0.0011509100000000 ] - [ -0.0005853100000000, -0.0017820500000000, -0.0002625000000000 ] - [ -0.0004795300000000, -0.0011238200000000, -0.0006153200000000 ] - [ -0.0027531400000000, -0.0143361200000000, 0.0044350300000000 ] - [ -0.0000109100000000, -0.0008670500000000, -0.0000377800000000 ] - [ 0.0006322900000000, -0.0002931600000000, -0.0004128900000000 ] - [ 0.0004631600000000, -0.0068690200000000, 0.0013121500000000 ] - [ -0.0010045900000000, -0.0010495300000000, -0.0005119400000000 ] - [ 0.0019648000000000, -0.0009934600000000, 0.0001117100000000 ] - [ 0.0012591900000000, -0.0011450000000000, 0.0013662700000000 ] - [ -0.0004501800000000, -0.0003017800000000, 0.0007300500000000 ] - [ 0.0006994300000000, 0.0039632800000000, 0.0021238700000000 ] - [ -0.0006269700000000, 0.0000824600000000, -0.0002583900000000 ] - [ -0.0003873100000000, 0.0010183300000000, 0.0005924700000000 ] - [ 0.0001331400000000, 0.0002705900000000, 0.0006895500000000 ] - [ 0.0002482900000000, 0.0017705200000000, -0.0008889900000000 ] - [ -0.0008799200000000, 0.0022165700000000, 0.0002440300000000 ] - [ 0.0007797600000000, 0.0013606100000000, 0.0004185600000000 ] - [ 0.0003585400000000, 0.0012988900000000, -0.0004557300000000 ] - [ -0.0010672400000000, 0.0027274100000000, 0.0013582300000000 ] - [ -0.0000571000000000, 0.0007985800000000, 0.0004048800000000 ] - [ -0.0016485000000000, 0.0026410100000000, 0.0003079400000000 ] - [ -0.0002640400000000, 0.0006857500000000, 0.0000015400000000 ] - [ 0.0010856500000000, 0.0021500200000000, -0.0003291200000000 ] - [ -0.0004650800000000, 0.0002676200000000, 0.0002445600000000 ] - [ 0.0001193800000000, 0.0021326300000000, -0.0018009300000000 ] - [ -0.0002756800000000, 0.0004784300000000, 0.0002285300000000 ] - [ 0.0043992200000000, -0.0152675000000000, 0.0067490200000000 ] - [ 0.0005579800000000, -0.0002223700000000, -0.0001104600000000 ] - [ -0.0013779600000000, -0.0009904600000000, -0.0023048300000000 ] - [ 0.0007162300000000, -0.0012501700000000, 0.0000252800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0019092300000000, -0.0003025000000000, 0.0020419600000000 ] - [ 0.0018763100000000, -0.0015167000000000, -0.0039924500000000 ] - [ 0.0002726200000000, 0.0001682200000000, 0.0013564700000000 ] - [ 0.0007921900000000, 0.0003942500000000, 0.0004509100000000 ] - [ 0.0003566500000000, -0.0006543500000000, 0.0009982400000000 ] - [ -0.0011154600000000, -0.0006627300000000, 0.0012207800000000 ] - [ 0.0039813300000000, 0.0199398200000000, -0.0708241400000000 ] - [ 0.0008377900000000, 0.0001125600000000, 0.0005356200000000 ] - [ -0.0033799300000000, -0.0029957300000000, 0.0201248900000000 ] - [ 0.0002122600000000, 0.0000192500000000, 0.0006356700000000 ] - [ 0.0005245700000000, -0.0014406500000000, 0.0008557600000000 ] - [ -0.0000942600000000, 0.0001446200000000, -0.0004594600000000 ] - [ 0.0004012200000000, -0.0003531700000000, 0.0011476800000000 ] - [ 0.0003412600000000, -0.0001301200000000, 0.0002596600000000 ] - [ -0.0005800600000000, -0.0005181700000000, -0.0033194400000000 ] - [ 0.0010317200000000, -0.0002718400000000, 0.0004143500000000 ] - [ 0.0014623500000000, -0.0020112600000000, -0.0045843000000000 ] - [ 0.0000348100000000, -0.0004015500000000, 0.0006188100000000 ] - [ 0.0014761100000000, 0.0013123300000000, 0.0007078400000000 ] - [ 0.0003403000000000, 0.0000912700000000, 0.0007871900000000 ] - [ -0.0002108300000000, 0.0000596100000000, 0.0004048200000000 ] - [ -0.0000778900000000, -0.0003024200000000, -0.0008458200000000 ] - [ -0.0005312100000000, 0.0005640300000000, 0.0004023300000000 ] - [ -0.0002532300000000, 0.0002263200000000, 0.0001376500000000 ] - [ -0.0001683700000000, -0.0004151800000000, 0.0004621600000000 ] - [ -0.0003703000000000, -0.0002761900000000, 0.0003055600000000 ] - [ -0.0005429200000000, -0.0000553700000000, -0.0012590800000000 ] - [ -0.0005834800000000, 0.0003231300000000, 0.0003718000000000 ] - [ 0.0001691100000000, -0.0002036000000000, 0.0001179000000000 ] - [ -0.0002082900000000, -0.0000099700000000, 0.0005597300000000 ] - [ -0.0010736200000000, 0.0012448700000000, 0.0004816200000000 ] - [ 0.0007741900000000, 0.0007824800000000, -0.0015482100000000 ] - [ -0.0008527300000000, -0.0004285300000000, -0.0000171500000000 ] - [ -0.0008485900000000, 0.0001471500000000, 0.0008467800000000 ] - [ -0.0003236500000000, 0.0004678000000000, 0.0005658800000000 ] - [ -0.0009013100000000, 0.0026244100000000, -0.0045308300000000 ] - [ 0.0004407000000000, 0.0006146800000000, 0.0014692100000000 ] - [ -0.0005154200000000, 0.0005082100000000, -0.0028611600000000 ] - [ -0.0011193300000000, -0.0010130800000000, 0.0010109700000000 ] - [ -0.0001268900000000, 0.0001847000000000, 0.0003436700000000 ] - [ 0.0053991100000000, -0.0013742600000000, 0.0252463900000000 ] - [ -0.0001070000000000, -0.0011141100000000, -0.0023011000000000 ] - [ 0.0001359100000000, 0.0056402400000000, 0.0036964000000000 ] - [ 0.0000509700000000, 0.0004881300000000, 0.0014383400000000 ] - [ -0.0003820600000000, -0.0009863300000000, 0.0002713100000000 ] - [ 0.0000207200000000, -0.0001022000000000, -0.0016073500000000 ] - [ 0.0024823600000000, -0.0019930200000000, 0.0030441600000000 ] - [ -0.0004648600000000, 0.0002195000000000, 0.0020493500000000 ] - [ -0.0055058600000000, -0.0032369600000000, 0.0007451100000000 ] - [ 0.0018129700000000, -0.0002355600000000, 0.0014134800000000 ] - [ 0.0006215500000000, -0.0007561100000000, -0.0031480400000000 ] - [ -0.0002192200000000, 0.0006198300000000, 0.0011418700000000 ] - [ -0.0030140500000000, -0.0069313100000000, 0.0139810600000000 ] - [ -0.0004690200000000, 0.0004860800000000, 0.0012375800000000 ] - [ 0.0008576700000000, 0.0003798400000000, -0.0014802900000000 ] - [ -0.0000034900000000, -0.0005604500000000, 0.0085973700000000 ] - [ -0.0007862600000000, 0.0013060300000000, -0.0030916900000000 ] - [ -0.0007980100000000, -0.0004442700000000, 0.0013686200000000 ] - [ -0.0002223700000000, -0.0011948900000000, -0.0039367900000000 ] - [ 0.0005199900000000, -0.0000343700000000, -0.0004944600000000 ] - [ -0.0016683400000000, -0.0017275400000000, 0.0018628500000000 ] - [ -0.0007023900000000, -0.0000487800000000, -0.0010160800000000 ] - [ 0.0004468600000000, -0.0011629800000000, -0.0021241000000000 ] - [ -0.0003769900000000, -0.0003045900000000, 0.0000108700000000 ] - [ 0.0007031500000000, 0.0009445900000000, 0.0000373500000000 ] - [ -0.0007953600000000, 0.0011080900000000, 0.0014807900000000 ] - [ 0.0005568500000000, 0.0007433400000000, -0.0007713500000000 ] - [ 0.0006065800000000, -0.0002494600000000, 0.0004496400000000 ] - [ 0.0005570000000000, -0.0010274200000000, 0.0005911100000000 ] - [ -0.0006246500000000, -0.0009587200000000, 0.0008910000000000 ] - [ -0.0018238600000000, 0.0016272000000000, 0.0008535400000000 ] - [ -0.0005138300000000, -0.0001008200000000, -0.0014371900000000 ] - [ 0.0005355800000000, 0.0000715300000000, 0.0013295600000000 ] - [ -0.0001176800000000, -0.0002175800000000, -0.0004782600000000 ] - [ -0.0001721200000000, 0.0007741300000000, -0.0018525500000000 ] - [ -0.0000857600000000, 0.0001451500000000, -0.0001257300000000 ] - [ 0.0030928900000000, -0.0056490500000000, 0.0123863900000000 ] - [ 0.0003732300000000, -0.0004396800000000, -0.0017039300000000 ] - [ -0.0008719900000000, -0.0003433600000000, -0.0022595000000000 ] - [ 0.0014132900000000, 0.0006735200000000, -0.0016895600000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0023919300000000, -0.0002166500000000, -0.0017438300000000 ] - [ -0.0013531000000000, 0.0009789200000000, 0.0037100400000000 ] - [ 0.0003668400000000, 0.0003947900000000, -0.0021648300000000 ] - [ -0.0001596100000000, 0.0001585600000000, 0.0003568200000000 ] - [ 0.0003861800000000, 0.0000441700000000, -0.0016639000000000 ] - [ 0.0018444300000000, 0.0000504100000000, -0.0005736700000000 ] - [ -0.0027412100000000, -0.0197154600000000, 0.0709399300000000 ] - [ 0.0004022700000000, 0.0004034500000000, -0.0002083100000000 ] - [ 0.0034783200000000, 0.0027482200000000, -0.0200386000000000 ] - [ -0.0000472500000000, -0.0001982900000000, -0.0003416500000000 ] - [ -0.0003432900000000, 0.0016260000000000, -0.0011566700000000 ] - [ 0.0002637300000000, 0.0000381100000000, 0.0007557500000000 ] - [ 0.0008409600000000, -0.0001529900000000, -0.0014680500000000 ] - [ 0.0009009700000000, -0.0003779100000000, 0.0000660700000000 ] - [ 0.0012923600000000, 0.0011021600000000, 0.0026606800000000 ] - [ -0.0002952200000000, 0.0008766300000000, 0.0002505000000000 ] - [ -0.0008090800000000, 0.0013960200000000, 0.0037993100000000 ] - [ 0.0006018100000000, -0.0001607700000000, 0.0001830800000000 ] - [ -0.0009962300000000, -0.0007693500000000, -0.0004072900000000 ] - [ 0.0001222300000000, 0.0004445300000000, -0.0010932700000000 ] - [ -0.0002541300000000, -0.0005910900000000, -0.0000956500000000 ] - [ -0.0003960300000000, -0.0002298600000000, 0.0005447200000000 ] - [ -0.0000996200000000, -0.0000118500000000, 0.0004013600000000 ] - [ -0.0003850300000000, 0.0003324100000000, -0.0009450300000000 ] - [ -0.0005757800000000, -0.0001967300000000, 0.0001852200000000 ] - [ -0.0003603700000000, -0.0003275100000000, -0.0009708500000000 ] - [ -0.0006926700000000, 0.0005681500000000, 0.0009336000000000 ] - [ -0.0006589200000000, 0.0001974500000000, -0.0000383600000000 ] - [ -0.0003391500000000, 0.0000244100000000, -0.0004265000000000 ] - [ 0.0000410800000000, -0.0001689000000000, -0.0002654600000000 ] - [ 0.0009177900000000, -0.0010706900000000, -0.0007894300000000 ] - [ -0.0009384200000000, -0.0005974900000000, 0.0018459500000000 ] - [ -0.0003870800000000, -0.0000776900000000, 0.0003326400000000 ] - [ -0.0003859800000000, -0.0006627900000000, -0.0011743600000000 ] - [ -0.0004089000000000, 0.0001282800000000, 0.0000982100000000 ] - [ 0.0001765100000000, -0.0019527400000000, 0.0038933500000000 ] - [ -0.0010842100000000, -0.0011789200000000, -0.0006667200000000 ] - [ -0.0001312800000000, -0.0010486700000000, 0.0020704900000000 ] - [ 0.0006549300000000, 0.0015362000000000, -0.0007087300000000 ] - [ -0.0003467400000000, 0.0003523400000000, -0.0006446500000000 ] - [ -0.0055086400000000, 0.0001883900000000, -0.0262006000000000 ] - [ 0.0001246300000000, -0.0001016800000000, 0.0028058200000000 ] - [ -0.0001524600000000, -0.0043837000000000, -0.0042104700000000 ] - [ -0.0000177000000000, 0.0007159600000000, -0.0009424800000000 ] - [ 0.0003613900000000, -0.0002355000000000, -0.0007710700000000 ] - [ -0.0000450500000000, -0.0011198700000000, 0.0021051600000000 ] - [ -0.0025126100000000, 0.0031995000000000, -0.0035631200000000 ] - [ 0.0004365700000000, 0.0009899400000000, -0.0015409900000000 ] - [ 0.0054097400000000, 0.0038556000000000, -0.0020534100000000 ] - [ -0.0018502800000000, 0.0008947800000000, -0.0002697900000000 ] - [ -0.0016118000000000, 0.0010912200000000, 0.0038357000000000 ] - [ -0.0007723700000000, -0.0002853100000000, -0.0018373300000000 ] - [ 0.0034840500000000, 0.0073724800000000, -0.0152414800000000 ] - [ 0.0007056100000000, -0.0006138700000000, -0.0005945400000000 ] - [ -0.0002363400000000, -0.0001293100000000, 0.0010559900000000 ] - [ 0.0004027800000000, 0.0009632600000000, -0.0079945400000000 ] - [ 0.0013983400000000, -0.0015446200000000, 0.0034795600000000 ] - [ 0.0014083500000000, 0.0002107800000000, -0.0017638800000000 ] - [ 0.0004723700000000, 0.0012899900000000, 0.0032806700000000 ] - [ -0.0002993900000000, 0.0001818200000000, 0.0011706300000000 ] - [ 0.0006856500000000, 0.0013931400000000, -0.0011797800000000 ] - [ -0.0003018400000000, -0.0003047300000000, 0.0003030600000000 ] - [ -0.0004845900000000, 0.0005146300000000, 0.0009957500000000 ] - [ 0.0003550700000000, -0.0003774900000000, 0.0011543300000000 ] - [ -0.0006537800000000, -0.0003011800000000, -0.0011653400000000 ] - [ 0.0008484700000000, -0.0004678600000000, -0.0003567600000000 ] - [ 0.0004076500000000, -0.0004138500000000, 0.0014315400000000 ] - [ 0.0003601800000000, 0.0005767300000000, -0.0011230300000000 ] - [ -0.0008118600000000, 0.0009181400000000, -0.0012289300000000 ] - [ 0.0003748700000000, 0.0008530600000000, -0.0002673900000000 ] - [ 0.0012361200000000, -0.0014269100000000, -0.0004848300000000 ] - [ -0.0001023800000000, 0.0003529500000000, 0.0010192500000000 ] - [ -0.0011324500000000, -0.0002825300000000, -0.0017068000000000 ] - [ -0.0004867300000000, 0.0000052400000000, 0.0008570900000000 ] - [ -0.0000948000000000, -0.0006789200000000, 0.0012477200000000 ] - [ -0.0001437600000000, -0.0000011400000000, 0.0007845200000000 ] - [ -0.0019341800000000, 0.0049317200000000, -0.0114542400000000 ] - [ 0.0006294900000000, 0.0000926600000000, 0.0009958900000000 ] - [ 0.0009287400000000, -0.0002899500000000, 0.0011465400000000 ] - [ -0.0013701300000000, -0.0013284600000000, 0.0028396800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002970600000000, -0.0002515100000000, 0.0001300700000000 ] - [ 0.0011950000000000, -0.0003421700000000, 0.0012423400000000 ] - [ -0.0042761900000000, -0.0006858900000000, -0.0032984400000000 ] - [ 0.0020664300000000, 0.0005356700000000, 0.0002039100000000 ] - [ 0.0017955100000000, 0.0004462400000000, 0.0024059700000000 ] - [ 0.0127146500000000, -0.0036227000000000, 0.0005237600000000 ] - [ -0.0047461600000000, 0.0010293900000000, -0.0035266100000000 ] - [ 0.0009132700000000, 0.0000513100000000, 0.0000056800000000 ] - [ -0.0430117500000000, 0.0056626500000000, 0.0116540300000000 ] - [ 0.0012818800000000, 0.0001615300000000, 0.0004657600000000 ] - [ -0.0002226700000000, 0.0001216700000000, -0.0000329400000000 ] - [ 0.0004633100000000, 0.0002363900000000, 0.0000558900000000 ] - [ 0.0002497000000000, 0.0000658500000000, 0.0002806200000000 ] - [ 0.0012317800000000, -0.0002806700000000, 0.0003291300000000 ] - [ 0.0003211300000000, 0.0007131400000000, -0.0007658500000000 ] - [ 0.0004645900000000, 0.0003584900000000, 0.0003846200000000 ] - [ -0.0003561300000000, -0.0007072200000000, 0.0000376200000000 ] - [ 0.0005048000000000, -0.0002815200000000, 0.0003527200000000 ] - [ 0.0022313900000000, 0.0032092200000000, 0.0002196400000000 ] - [ 0.0002406600000000, -0.0003722700000000, -0.0005949200000000 ] - [ -0.0008020400000000, -0.0002515100000000, -0.0000866400000000 ] - [ 0.0002241200000000, -0.0003489400000000, -0.0003080800000000 ] - [ -0.0003635300000000, 0.0005110300000000, 0.0004497200000000 ] - [ -0.0000571400000000, 0.0001579000000000, -0.0001720600000000 ] - [ 0.0002861300000000, -0.0003834900000000, 0.0005564400000000 ] - [ -0.0012260100000000, 0.0000234700000000, -0.0000784000000000 ] - [ -0.0006462900000000, -0.0001752900000000, -0.0004062700000000 ] - [ -0.0003519400000000, 0.0004347000000000, 0.0000212600000000 ] - [ 0.0000826500000000, -0.0003852500000000, -0.0001700500000000 ] - [ -0.0000165600000000, 0.0002834700000000, 0.0001912400000000 ] - [ -0.0000327400000000, 0.0001266900000000, -0.0002894300000000 ] - [ 0.0001223500000000, 0.0003870700000000, 0.0006434800000000 ] - [ 0.0012521700000000, 0.0010558700000000, 0.0010050500000000 ] - [ -0.0009450600000000, -0.0007587300000000, 0.0008523100000000 ] - [ 0.0000370700000000, 0.0004003500000000, 0.0001641000000000 ] - [ -0.0017496700000000, 0.0000335100000000, -0.0008718700000000 ] - [ -0.0003275500000000, -0.0003334700000000, -0.0000023400000000 ] - [ 0.0005629200000000, -0.0007941200000000, -0.0013665100000000 ] - [ -0.0045220900000000, 0.0027515300000000, 0.0009524900000000 ] - [ 0.0006869700000000, -0.0001323300000000, 0.0002290000000000 ] - [ -0.0010203800000000, -0.0006530700000000, -0.0003073200000000 ] - [ 0.0019532400000000, -0.0014612500000000, 0.0000940400000000 ] - [ -0.0081704800000000, -0.0020709100000000, -0.0038591400000000 ] - [ 0.0010848300000000, 0.0004075200000000, 0.0000577800000000 ] - [ 0.0001682600000000, -0.0008188700000000, -0.0004138500000000 ] - [ 0.0003416000000000, -0.0006697700000000, 0.0004275500000000 ] - [ 0.0066226800000000, -0.0084379800000000, 0.0003856800000000 ] - [ 0.0036619700000000, 0.0034230900000000, -0.0024482300000000 ] - [ 0.0008902100000000, 0.0001157800000000, -0.0009977800000000 ] - [ -0.0009580000000000, 0.0002305400000000, 0.0009093700000000 ] - [ 0.0005193400000000, 0.0003824100000000, -0.0004345600000000 ] - [ -0.0031368400000000, 0.0003015700000000, -0.0015639600000000 ] - [ 0.0010900000000000, -0.0003575700000000, -0.0001675800000000 ] - [ -0.0005903100000000, 0.0000509000000000, 0.0003468400000000 ] - [ -0.0004266000000000, -0.0001255200000000, -0.0003431100000000 ] - [ 0.0085448100000000, 0.0013800600000000, 0.0008441200000000 ] - [ 0.0011464900000000, 0.0002422400000000, 0.0003146200000000 ] - [ -0.0017848400000000, -0.0005519500000000, 0.0007667500000000 ] - [ 0.0108277600000000, 0.0033048000000000, 0.0038526300000000 ] - [ -0.0019138400000000, 0.0008153000000000, 0.0008315800000000 ] - [ 0.0012581200000000, -0.0001443000000000, 0.0010733300000000 ] - [ -0.0008713500000000, -0.0003382400000000, -0.0002797600000000 ] - [ 0.0015858000000000, -0.0008251400000000, -0.0001443100000000 ] - [ -0.0010123600000000, -0.0002176600000000, 0.0003000900000000 ] - [ -0.0002170900000000, 0.0004156700000000, -0.0004266200000000 ] - [ 0.0002262700000000, 0.0003836200000000, 0.0003774500000000 ] - [ 0.0008785600000000, 0.0001471100000000, 0.0001151700000000 ] - [ -0.0002313800000000, 0.0002596700000000, -0.0004148900000000 ] - [ 0.0000606800000000, 0.0004872600000000, 0.0004564900000000 ] - [ -0.0005398800000000, -0.0001068200000000, 0.0004491600000000 ] - [ -0.0015989400000000, 0.0014484000000000, 0.0007423900000000 ] - [ -0.0001398200000000, -0.0013493400000000, 0.0012078200000000 ] - [ 0.0004640900000000, -0.0010103800000000, -0.0010878600000000 ] - [ -0.0007253700000000, -0.0000245300000000, -0.0000367700000000 ] - [ 0.0009772400000000, 0.0015127800000000, -0.0016176500000000 ] - [ -0.0022163900000000, -0.0014805000000000, 0.0000068900000000 ] - [ 0.0122255400000000, -0.0059677300000000, -0.0067672700000000 ] - [ -0.0013847400000000, -0.0001295400000000, 0.0007501000000000 ] - [ -0.0032376300000000, 0.0009452100000000, -0.0020744200000000 ] - [ 0.0100767100000000, 0.0018370900000000, -0.0023112000000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001778000000000, -0.0003039800000000, 0.0001513800000000 ] - [ -0.0007011000000000, -0.0001977500000000, -0.0015314900000000 ] - [ 0.0049530400000000, 0.0012311200000000, 0.0024107400000000 ] - [ -0.0014207500000000, 0.0000273300000000, 0.0006015200000000 ] - [ -0.0010617700000000, -0.0010456200000000, -0.0030338600000000 ] - [ -0.0122035700000000, 0.0030689900000000, 0.0001340300000000 ] - [ 0.0059454200000000, -0.0005341100000000, 0.0033040100000000 ] - [ 0.0003204700000000, 0.0004442900000000, 0.0003032500000000 ] - [ 0.0437681200000000, -0.0054985000000000, -0.0120623800000000 ] - [ -0.0011152000000000, -0.0003454700000000, -0.0001478200000000 ] - [ 0.0003815700000000, 0.0000678000000000, -0.0002693200000000 ] - [ -0.0002984200000000, -0.0000418400000000, 0.0002509800000000 ] - [ 0.0009879500000000, -0.0005772900000000, -0.0006132000000000 ] - [ 0.0000022500000000, -0.0002222600000000, -0.0000062900000000 ] - [ 0.0004107300000000, -0.0000812500000000, 0.0001149800000000 ] - [ 0.0002766700000000, 0.0002768800000000, 0.0002647000000000 ] - [ 0.0009955600000000, 0.0001442700000000, -0.0008327800000000 ] - [ 0.0001340600000000, -0.0002773000000000, 0.0004369900000000 ] - [ -0.0017440800000000, -0.0026210700000000, 0.0000743400000000 ] - [ 0.0002379900000000, 0.0009339100000000, 0.0003140200000000 ] - [ 0.0003168900000000, -0.0003013500000000, 0.0003599700000000 ] - [ -0.0006960000000000, -0.0002049300000000, 0.0000207200000000 ] - [ -0.0002754300000000, 0.0000457700000000, 0.0003559000000000 ] - [ -0.0005813900000000, 0.0003942500000000, -0.0006296300000000 ] - [ -0.0010196600000000, -0.0002392200000000, 0.0001088700000000 ] - [ 0.0004798700000000, -0.0006493500000000, -0.0005703100000000 ] - [ -0.0005922900000000, 0.0006800200000000, 0.0000851500000000 ] - [ -0.0008724500000000, 0.0000725300000000, 0.0002956000000000 ] - [ -0.0002427800000000, 0.0001979700000000, -0.0001264600000000 ] - [ -0.0001393100000000, -0.0004736200000000, 0.0001090500000000 ] - [ -0.0001260700000000, 0.0000646100000000, -0.0000101800000000 ] - [ -0.0002807900000000, -0.0002052700000000, -0.0003467100000000 ] - [ -0.0024948400000000, -0.0015811200000000, -0.0006821800000000 ] - [ -0.0002970700000000, 0.0002508200000000, -0.0011716600000000 ] - [ -0.0007800500000000, 0.0002250200000000, 0.0004835900000000 ] - [ 0.0010126900000000, 0.0005854600000000, 0.0002255900000000 ] - [ -0.0003109400000000, -0.0002223400000000, 0.0007983800000000 ] - [ -0.0012070700000000, 0.0002335200000000, 0.0005651800000000 ] - [ 0.0040837900000000, -0.0021392700000000, -0.0006572200000000 ] - [ -0.0011639700000000, 0.0006715400000000, -0.0005152300000000 ] - [ 0.0010388600000000, -0.0005721000000000, -0.0001987000000000 ] - [ -0.0019491700000000, 0.0002191000000000, 0.0003984200000000 ] - [ 0.0082158000000000, 0.0031878900000000, 0.0033538400000000 ] - [ -0.0010892800000000, 0.0008444200000000, 0.0004565300000000 ] - [ -0.0001921500000000, -0.0004095200000000, -0.0001014100000000 ] - [ -0.0003578300000000, -0.0005586500000000, 0.0000795300000000 ] - [ -0.0066219800000000, 0.0095627700000000, -0.0009318700000000 ] - [ -0.0036887100000000, -0.0021966900000000, 0.0029540900000000 ] - [ -0.0009671300000000, 0.0005155500000000, -0.0001441600000000 ] - [ 0.0008853300000000, 0.0003973900000000, 0.0002253400000000 ] - [ -0.0014991300000000, -0.0000255100000000, 0.0011159000000000 ] - [ 0.0021750900000000, 0.0000575300000000, 0.0009182700000000 ] - [ -0.0008254200000000, 0.0002731300000000, -0.0004795700000000 ] - [ 0.0008570300000000, -0.0001214200000000, 0.0002963400000000 ] - [ 0.0010076200000000, 0.0003346700000000, -0.0000265300000000 ] - [ -0.0081488900000000, -0.0009768300000000, -0.0006248900000000 ] - [ -0.0005726900000000, -0.0004752400000000, 0.0000667100000000 ] - [ 0.0023638000000000, 0.0003125800000000, -0.0011249800000000 ] - [ -0.0105146600000000, -0.0030508300000000, -0.0043515400000000 ] - [ 0.0021771200000000, -0.0007593700000000, -0.0002121000000000 ] - [ -0.0022276700000000, -0.0002083900000000, -0.0004224200000000 ] - [ -0.0000933100000000, -0.0000145100000000, -0.0003854300000000 ] - [ -0.0016835900000000, 0.0002146100000000, -0.0009816200000000 ] - [ 0.0009455200000000, -0.0004023600000000, 0.0008362300000000 ] - [ 0.0002840400000000, 0.0002191800000000, -0.0007147900000000 ] - [ -0.0001731300000000, 0.0002618700000000, 0.0007738300000000 ] - [ 0.0001287800000000, 0.0002281900000000, 0.0005777200000000 ] - [ 0.0012291900000000, 0.0001093500000000, -0.0002752400000000 ] - [ -0.0003037400000000, -0.0005925000000000, -0.0011184300000000 ] - [ 0.0002943400000000, 0.0000080400000000, 0.0002101600000000 ] - [ 0.0010224700000000, -0.0012074200000000, -0.0003543700000000 ] - [ -0.0004581800000000, 0.0015839700000000, -0.0015856200000000 ] - [ -0.0010792200000000, 0.0007593800000000, 0.0006950400000000 ] - [ 0.0001241800000000, -0.0002228700000000, 0.0004218800000000 ] - [ -0.0011954000000000, -0.0014125900000000, 0.0009778100000000 ] - [ 0.0019623800000000, 0.0015490000000000, 0.0006221100000000 ] - [ -0.0110712200000000, 0.0052993300000000, 0.0071645700000000 ] - [ 0.0023679800000000, -0.0002256500000000, -0.0014259600000000 ] - [ 0.0032735900000000, -0.0015504200000000, 0.0009063800000000 ] - [ -0.0105004600000000, -0.0028082700000000, 0.0038467200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003805800000000, -0.0006410800000000, 0.0002987800000000 ] - [ -0.0007911100000000, -0.0013942400000000, -0.0012848800000000 ] - [ -0.0006530600000000, -0.0049293500000000, 0.0013840300000000 ] - [ 0.0002860500000000, -0.0005429800000000, 0.0005225500000000 ] - [ 0.0017218400000000, -0.0022226900000000, 0.0006056600000000 ] - [ -0.0030412000000000, -0.0038320600000000, 0.0012451500000000 ] - [ 0.0014480600000000, -0.0055229500000000, -0.0029818600000000 ] - [ 0.0006833100000000, -0.0002641800000000, 0.0000477600000000 ] - [ 0.0055685200000000, -0.0723388100000000, -0.0120834900000000 ] - [ 0.0003467300000000, -0.0008651000000000, -0.0000130000000000 ] - [ 0.0000868200000000, 0.0003478600000000, -0.0001639600000000 ] - [ -0.0000432100000000, 0.0003091400000000, 0.0000501500000000 ] - [ 0.0004853800000000, 0.0009852100000000, 0.0013764200000000 ] - [ 0.0002695800000000, -0.0000209300000000, 0.0002079500000000 ] - [ 0.0010406600000000, 0.0002861500000000, -0.0010034000000000 ] - [ 0.0002430600000000, 0.0004034600000000, 0.0002099900000000 ] - [ 0.0004886500000000, 0.0009142500000000, -0.0019577800000000 ] - [ 0.0003213100000000, -0.0001696400000000, 0.0004347800000000 ] - [ 0.0031676500000000, 0.0017710100000000, -0.0003184500000000 ] - [ -0.0005799500000000, 0.0000629100000000, 0.0005524400000000 ] - [ -0.0002917000000000, 0.0000473100000000, 0.0000635200000000 ] - [ -0.0004089100000000, 0.0000517700000000, 0.0000331300000000 ] - [ -0.0005973900000000, 0.0014479100000000, 0.0001602800000000 ] - [ -0.0005148000000000, 0.0011094200000000, -0.0006473800000000 ] - [ -0.0004534600000000, 0.0002387500000000, 0.0003021600000000 ] - [ 0.0001137900000000, 0.0009428200000000, -0.0004661000000000 ] - [ -0.0003311100000000, 0.0013849100000000, -0.0002717800000000 ] - [ -0.0005926500000000, 0.0006383000000000, 0.0000794200000000 ] - [ 0.0002031100000000, 0.0014513000000000, 0.0002170800000000 ] - [ -0.0004784200000000, 0.0006627100000000, 0.0004150100000000 ] - [ -0.0000630500000000, 0.0000079500000000, 0.0000078100000000 ] - [ 0.0001958000000000, -0.0001787900000000, 0.0005028300000000 ] - [ 0.0007123600000000, 0.0002946100000000, 0.0008510800000000 ] - [ -0.0011850600000000, -0.0003068700000000, -0.0013061300000000 ] - [ -0.0002819800000000, 0.0004367200000000, 0.0001769900000000 ] - [ 0.0001154500000000, 0.0013565400000000, 0.0014762500000000 ] - [ -0.0004265300000000, -0.0003170100000000, 0.0001029800000000 ] - [ -0.0008981300000000, 0.0002243600000000, 0.0005017600000000 ] - [ 0.0023890800000000, 0.0150484500000000, 0.0005793400000000 ] - [ -0.0001946900000000, 0.0005473000000000, -0.0003366500000000 ] - [ -0.0000825200000000, -0.0020599700000000, -0.0003423100000000 ] - [ -0.0005348500000000, -0.0019518200000000, 0.0001110600000000 ] - [ -0.0031381500000000, 0.0277723800000000, 0.0002763500000000 ] - [ 0.0005426600000000, 0.0008553900000000, 0.0004925300000000 ] - [ 0.0000404700000000, 0.0003164300000000, -0.0002056300000000 ] - [ 0.0002266500000000, 0.0011872100000000, 0.0007782000000000 ] - [ -0.0081557000000000, 0.0055591300000000, -0.0016828500000000 ] - [ 0.0018220700000000, 0.0036035500000000, -0.0017763400000000 ] - [ -0.0002410700000000, 0.0016868400000000, -0.0008979100000000 ] - [ 0.0003856400000000, 0.0009514000000000, 0.0003028700000000 ] - [ -0.0004752800000000, 0.0016820600000000, 0.0005580600000000 ] - [ -0.0003120400000000, 0.0016605800000000, -0.0009261100000000 ] - [ -0.0005154300000000, 0.0007463400000000, 0.0007852500000000 ] - [ 0.0005889300000000, 0.0003705300000000, 0.0006184000000000 ] - [ -0.0003065600000000, 0.0005731300000000, -0.0006135900000000 ] - [ 0.0013356000000000, 0.0056607500000000, 0.0012176400000000 ] - [ 0.0010444500000000, 0.0006118100000000, -0.0007956700000000 ] - [ -0.0004317600000000, 0.0006724000000000, 0.0004050200000000 ] - [ 0.0029226100000000, 0.0119929000000000, 0.0043452500000000 ] - [ 0.0005644800000000, 0.0009758100000000, -0.0001675100000000 ] - [ -0.0021988400000000, -0.0034785800000000, 0.0019640600000000 ] - [ -0.0004011200000000, -0.0005345900000000, -0.0005350800000000 ] - [ 0.0014209500000000, -0.0035004100000000, -0.0020727200000000 ] - [ -0.0007509000000000, -0.0015352100000000, 0.0004905200000000 ] - [ -0.0000882500000000, -0.0002787800000000, -0.0003786000000000 ] - [ 0.0003299700000000, -0.0008417100000000, 0.0008172900000000 ] - [ 0.0002334500000000, -0.0009660600000000, -0.0000517900000000 ] - [ 0.0006308500000000, -0.0011233700000000, -0.0001099000000000 ] - [ -0.0000504300000000, -0.0009708900000000, -0.0010063400000000 ] - [ -0.0001940900000000, -0.0004164800000000, 0.0002688300000000 ] - [ 0.0007491700000000, -0.0019707100000000, -0.0005239800000000 ] - [ -0.0003138600000000, -0.0011926200000000, 0.0005130800000000 ] - [ -0.0015628100000000, -0.0024377300000000, -0.0016412800000000 ] - [ -0.0003354000000000, -0.0005566200000000, 0.0005779700000000 ] - [ 0.0012082500000000, -0.0031916300000000, 0.0009393800000000 ] - [ -0.0005654900000000, -0.0015329600000000, 0.0002554600000000 ] - [ -0.0045175900000000, 0.0147002500000000, 0.0082486000000000 ] - [ -0.0004891300000000, -0.0000035800000000, 0.0009884800000000 ] - [ 0.0010595100000000, 0.0011039300000000, 0.0006177500000000 ] - [ 0.0021141500000000, 0.0084364600000000, -0.0014149100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001112700000000, 0.0001173200000000, 0.0000078300000000 ] - [ 0.0012490400000000, 0.0008377200000000, 0.0009788000000000 ] - [ 0.0013332400000000, 0.0054942200000000, -0.0022917400000000 ] - [ 0.0003902400000000, 0.0011368800000000, 0.0003247500000000 ] - [ -0.0010100200000000, 0.0016114400000000, -0.0012954600000000 ] - [ 0.0037899100000000, 0.0032317300000000, -0.0005464900000000 ] - [ -0.0002283300000000, 0.0060127800000000, 0.0027672400000000 ] - [ 0.0005325900000000, 0.0008158100000000, 0.0003128900000000 ] - [ -0.0056369600000000, 0.0717513300000000, 0.0118519900000000 ] - [ -0.0002141300000000, 0.0007094700000000, 0.0002739900000000 ] - [ 0.0000546200000000, -0.0001622300000000, -0.0000966100000000 ] - [ 0.0001825800000000, -0.0001564100000000, 0.0002233000000000 ] - [ 0.0007379100000000, -0.0015324400000000, -0.0017218500000000 ] - [ 0.0009560500000000, -0.0005042100000000, 0.0001427600000000 ] - [ -0.0003469300000000, 0.0003017200000000, 0.0003013900000000 ] - [ 0.0004811700000000, 0.0002483300000000, 0.0004658400000000 ] - [ 0.0001819900000000, -0.0015019100000000, 0.0011158500000000 ] - [ 0.0003375300000000, -0.0004235900000000, 0.0003670500000000 ] - [ -0.0027134000000000, -0.0011992600000000, 0.0006505800000000 ] - [ 0.0010465100000000, 0.0004633200000000, -0.0008554300000000 ] - [ -0.0001238600000000, -0.0006099900000000, 0.0002698100000000 ] - [ -0.0000920600000000, -0.0005733900000000, -0.0003273900000000 ] - [ -0.0000677700000000, -0.0008705500000000, 0.0006757000000000 ] - [ -0.0001543900000000, -0.0005324000000000, -0.0001915700000000 ] - [ -0.0002767300000000, -0.0008798700000000, 0.0003615700000000 ] - [ -0.0008214200000000, -0.0015300600000000, -0.0002298500000000 ] - [ -0.0008876300000000, -0.0008521200000000, -0.0000765200000000 ] - [ -0.0006256000000000, -0.0001262300000000, 0.0002376800000000 ] - [ -0.0003304900000000, -0.0016390800000000, -0.0004978600000000 ] - [ 0.0003169700000000, -0.0008164500000000, -0.0001352700000000 ] - [ -0.0000677700000000, 0.0001364500000000, -0.0002834300000000 ] - [ -0.0003080800000000, 0.0003823200000000, -0.0002442400000000 ] - [ -0.0019462100000000, -0.0008366500000000, -0.0004878400000000 ] - [ -0.0000383500000000, -0.0002071200000000, 0.0009868700000000 ] - [ -0.0004260900000000, 0.0001599700000000, 0.0005129000000000 ] - [ -0.0008223100000000, -0.0007197500000000, -0.0021630200000000 ] - [ -0.0002596000000000, -0.0002808700000000, 0.0007220500000000 ] - [ 0.0002336700000000, -0.0008167700000000, -0.0012953400000000 ] - [ -0.0029220200000000, -0.0147950100000000, -0.0002928200000000 ] - [ -0.0002442400000000, 0.0000193400000000, 0.0000226900000000 ] - [ 0.0000951500000000, 0.0008039500000000, -0.0001858300000000 ] - [ 0.0005315200000000, 0.0006945400000000, 0.0003900000000000 ] - [ 0.0030717000000000, -0.0260365900000000, -0.0007826800000000 ] - [ -0.0005461400000000, 0.0003860000000000, -0.0000051000000000 ] - [ -0.0000428100000000, -0.0015864000000000, -0.0002942800000000 ] - [ -0.0002542000000000, -0.0024586800000000, -0.0002914800000000 ] - [ 0.0082180100000000, -0.0043221000000000, 0.0011513000000000 ] - [ -0.0018073400000000, -0.0023139400000000, 0.0022975700000000 ] - [ 0.0002128800000000, -0.0009938400000000, -0.0003584600000000 ] - [ -0.0004180200000000, -0.0003077200000000, 0.0009363200000000 ] - [ -0.0006357200000000, -0.0013261300000000, 0.0001175200000000 ] - [ -0.0007440500000000, -0.0013292200000000, 0.0002506200000000 ] - [ 0.0006848900000000, -0.0009327700000000, -0.0014820600000000 ] - [ -0.0004107000000000, -0.0005190700000000, 0.0000370800000000 ] - [ 0.0009928600000000, -0.0002007900000000, 0.0002054300000000 ] - [ -0.0008525300000000, -0.0049859200000000, -0.0009761200000000 ] - [ -0.0003598100000000, -0.0009806600000000, 0.0011977900000000 ] - [ 0.0010741300000000, -0.0009923400000000, -0.0008008500000000 ] - [ -0.0024639300000000, -0.0113051700000000, -0.0045755600000000 ] - [ -0.0003688200000000, -0.0007992500000000, 0.0008514000000000 ] - [ 0.0010778000000000, 0.0030895400000000, -0.0012620100000000 ] - [ -0.0007052300000000, 0.0001815200000000, -0.0001712200000000 ] - [ -0.0014495400000000, 0.0028288900000000, 0.0007977600000000 ] - [ 0.0007454500000000, 0.0008364200000000, 0.0007725600000000 ] - [ 0.0001016400000000, 0.0009610000000000, -0.0008969100000000 ] - [ -0.0003152800000000, 0.0015665600000000, 0.0004451000000000 ] - [ 0.0008673800000000, 0.0013454400000000, 0.0007522500000000 ] - [ 0.0004795200000000, 0.0014854300000000, -0.0005821600000000 ] - [ -0.0001134800000000, 0.0007838300000000, 0.0003045800000000 ] - [ 0.0000067400000000, 0.0002785100000000, 0.0004264300000000 ] - [ -0.0014059000000000, 0.0023093000000000, 0.0008950600000000 ] - [ -0.0003443200000000, 0.0015140200000000, -0.0009239000000000 ] - [ 0.0009254700000000, 0.0021174800000000, 0.0012797700000000 ] - [ -0.0003329400000000, 0.0002010200000000, -0.0001559300000000 ] - [ -0.0014894800000000, 0.0033663900000000, -0.0016015500000000 ] - [ 0.0003651300000000, 0.0016747300000000, 0.0004352000000000 ] - [ 0.0059891600000000, -0.0154562000000000, -0.0080439300000000 ] - [ 0.0015608900000000, -0.0003774200000000, -0.0016651000000000 ] - [ -0.0010277600000000, -0.0017994600000000, -0.0018538900000000 ] - [ -0.0022832000000000, -0.0092646800000000, 0.0028244900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002955300000000, -0.0000770900000000, 0.0008502900000000 ] - [ 0.0015778500000000, -0.0003052200000000, 0.0012249400000000 ] - [ -0.0030611300000000, 0.0027891400000000, 0.0173919300000000 ] - [ 0.0001324200000000, 0.0002706500000000, -0.0004002700000000 ] - [ 0.0028051600000000, 0.0000250700000000, 0.0015699900000000 ] - [ 0.0005306300000000, 0.0005705000000000, -0.0036501100000000 ] - [ -0.0017879000000000, -0.0021494400000000, 0.0197194600000000 ] - [ 0.0005455100000000, 0.0003382900000000, 0.0006575900000000 ] - [ 0.0118800300000000, -0.0120647800000000, -0.0695193000000000 ] - [ -0.0001992500000000, 0.0000872900000000, 0.0002552800000000 ] - [ 0.0002242000000000, 0.0000910800000000, 0.0004137200000000 ] - [ 0.0002035300000000, -0.0000208000000000, 0.0003269200000000 ] - [ 0.0004602700000000, 0.0008304800000000, 0.0008291700000000 ] - [ 0.0009341700000000, -0.0003780200000000, -0.0004353600000000 ] - [ -0.0000069700000000, -0.0002418000000000, -0.0000276700000000 ] - [ 0.0002898700000000, 0.0003260600000000, 0.0008388900000000 ] - [ 0.0000965000000000, -0.0013007500000000, 0.0005961500000000 ] - [ 0.0003146500000000, -0.0002779200000000, 0.0007279400000000 ] - [ 0.0005615400000000, 0.0000613000000000, -0.0015596300000000 ] - [ -0.0003299100000000, 0.0009488200000000, 0.0000118000000000 ] - [ -0.0000994100000000, -0.0003002500000000, 0.0006351500000000 ] - [ -0.0003264400000000, -0.0002042600000000, 0.0000599700000000 ] - [ -0.0001964600000000, -0.0001000300000000, -0.0003594500000000 ] - [ -0.0003082400000000, 0.0004459100000000, -0.0002317900000000 ] - [ -0.0006012100000000, -0.0003296000000000, -0.0003384800000000 ] - [ -0.0001686100000000, -0.0005883800000000, -0.0002452700000000 ] - [ -0.0006980300000000, 0.0005536500000000, 0.0001056200000000 ] - [ -0.0006826200000000, 0.0001618900000000, 0.0005810000000000 ] - [ -0.0000845800000000, 0.0002874000000000, -0.0008376800000000 ] - [ -0.0000664500000000, -0.0003428900000000, 0.0002128700000000 ] - [ 0.0000320100000000, -0.0000818100000000, 0.0004511600000000 ] - [ 0.0003828100000000, 0.0004337600000000, 0.0003802200000000 ] - [ -0.0008770100000000, -0.0004106500000000, -0.0015234400000000 ] - [ 0.0003499600000000, -0.0012415700000000, 0.0004678300000000 ] - [ -0.0004806600000000, 0.0002508700000000, 0.0007618900000000 ] - [ -0.0000478600000000, 0.0017968900000000, 0.0012873700000000 ] - [ -0.0002208300000000, -0.0001453700000000, 0.0010769900000000 ] - [ -0.0009365200000000, 0.0003027400000000, 0.0006516200000000 ] - [ 0.0006304500000000, 0.0005166500000000, -0.0042751900000000 ] - [ -0.0005387600000000, 0.0001991700000000, -0.0000322700000000 ] - [ -0.0005489100000000, -0.0005640700000000, 0.0032301300000000 ] - [ -0.0003309700000000, -0.0006405700000000, 0.0008643300000000 ] - [ -0.0040529700000000, 0.0005346600000000, -0.0104621400000000 ] - [ 0.0003132400000000, 0.0007116800000000, 0.0004724300000000 ] - [ -0.0000755400000000, -0.0004958900000000, 0.0006536600000000 ] - [ 0.0002226500000000, -0.0007800900000000, 0.0008800300000000 ] - [ -0.0016861400000000, 0.0015667700000000, -0.0066547900000000 ] - [ -0.0023080200000000, -0.0016904000000000, 0.0034254200000000 ] - [ -0.0004820900000000, 0.0001196900000000, -0.0034638900000000 ] - [ 0.0003137900000000, 0.0003228700000000, -0.0002490000000000 ] - [ -0.0009868300000000, 0.0002803100000000, -0.0028406800000000 ] - [ -0.0011926000000000, -0.0002479900000000, 0.0002468900000000 ] - [ 0.0001562500000000, 0.0003189200000000, -0.0029244600000000 ] - [ -0.0001658000000000, -0.0000282300000000, -0.0003113600000000 ] - [ -0.0000080400000000, 0.0001056800000000, -0.0008565600000000 ] - [ -0.0001138600000000, 0.0026315400000000, 0.0093589800000000 ] - [ 0.0006140400000000, -0.0007701600000000, -0.0020233700000000 ] - [ 0.0009767800000000, 0.0002474800000000, 0.0001027100000000 ] - [ 0.0032725100000000, 0.0035120500000000, 0.0132185800000000 ] - [ 0.0003383600000000, -0.0004579100000000, 0.0010541600000000 ] - [ 0.0003984900000000, 0.0001886600000000, 0.0022183100000000 ] - [ -0.0005439800000000, -0.0002413400000000, -0.0007806600000000 ] - [ 0.0009930000000000, -0.0006866000000000, 0.0007418900000000 ] - [ -0.0003582200000000, -0.0007397600000000, 0.0011512900000000 ] - [ 0.0000232100000000, 0.0003956600000000, -0.0011489100000000 ] - [ -0.0000349200000000, 0.0005665300000000, -0.0001594500000000 ] - [ 0.0004236900000000, -0.0000395100000000, -0.0003134900000000 ] - [ 0.0002318400000000, 0.0005483800000000, -0.0001031500000000 ] - [ 0.0001374500000000, -0.0005555200000000, -0.0014531500000000 ] - [ -0.0001435600000000, -0.0000228100000000, -0.0002469900000000 ] - [ 0.0010350400000000, -0.0013563700000000, 0.0006895500000000 ] - [ -0.0003100500000000, 0.0010298400000000, -0.0014281900000000 ] - [ -0.0012610600000000, -0.0009042100000000, 0.0003190700000000 ] - [ -0.0002573800000000, -0.0000278800000000, -0.0002610500000000 ] - [ -0.0011082400000000, 0.0001333000000000, 0.0016960600000000 ] - [ 0.0012708200000000, 0.0016498800000000, 0.0008870200000000 ] - [ -0.0042067700000000, 0.0059197800000000, 0.0165409000000000 ] - [ 0.0013527500000000, -0.0002196200000000, -0.0016615100000000 ] - [ -0.0003388400000000, 0.0006579100000000, 0.0011708700000000 ] - [ -0.0020873600000000, -0.0016996500000000, 0.0097706300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001738400000000, -0.0004465600000000, -0.0005217100000000 ] - [ -0.0011165100000000, -0.0002176500000000, -0.0015303400000000 ] - [ 0.0036312700000000, -0.0021704200000000, -0.0178283000000000 ] - [ 0.0005182600000000, 0.0002965900000000, 0.0011777400000000 ] - [ -0.0020535900000000, -0.0006018300000000, -0.0022453900000000 ] - [ 0.0002657100000000, -0.0011846000000000, 0.0043186900000000 ] - [ 0.0030729900000000, 0.0027185300000000, -0.0204349700000000 ] - [ 0.0006716000000000, 0.0001626900000000, -0.0003247100000000 ] - [ -0.0118663000000000, 0.0118340600000000, 0.0693185800000000 ] - [ 0.0003805400000000, -0.0002578200000000, 0.0000218000000000 ] - [ -0.0000364100000000, 0.0000805400000000, -0.0006762600000000 ] - [ -0.0000189100000000, 0.0001976900000000, -0.0000321900000000 ] - [ 0.0007659600000000, -0.0013360800000000, -0.0011788700000000 ] - [ 0.0002923500000000, -0.0001252500000000, 0.0007737400000000 ] - [ 0.0007334300000000, 0.0008442700000000, -0.0006459100000000 ] - [ 0.0004409100000000, 0.0002764300000000, -0.0001593300000000 ] - [ 0.0005554400000000, 0.0007294500000000, -0.0013789400000000 ] - [ 0.0003378400000000, -0.0002860900000000, 0.0000457000000000 ] - [ -0.0001141300000000, 0.0004516700000000, 0.0018944700000000 ] - [ 0.0007857100000000, -0.0004107100000000, -0.0003485900000000 ] - [ -0.0003638800000000, -0.0002293000000000, -0.0003113400000000 ] - [ -0.0001365800000000, -0.0003167000000000, -0.0003900400000000 ] - [ -0.0004570500000000, 0.0006654200000000, 0.0011440200000000 ] - [ -0.0003431400000000, 0.0001246200000000, -0.0005441800000000 ] - [ -0.0001191900000000, -0.0002779100000000, 0.0010095600000000 ] - [ -0.0005689200000000, -0.0000123300000000, -0.0004318100000000 ] - [ -0.0005205000000000, -0.0000487400000000, -0.0004364600000000 ] - [ -0.0005374800000000, 0.0003578200000000, -0.0002469000000000 ] - [ -0.0000997900000000, -0.0004607900000000, 0.0005538000000000 ] - [ -0.0001128000000000, 0.0001716900000000, 0.0000660200000000 ] - [ -0.0002078700000000, 0.0002412500000000, -0.0007282400000000 ] - [ -0.0005739900000000, -0.0002596800000000, -0.0000947400000000 ] - [ -0.0003290300000000, -0.0000916300000000, 0.0018566700000000 ] - [ -0.0015554500000000, 0.0007219700000000, -0.0007924900000000 ] - [ -0.0002396700000000, 0.0003410000000000, -0.0000801100000000 ] - [ -0.0006685800000000, -0.0012182700000000, -0.0019550000000000 ] - [ -0.0004444500000000, -0.0004303800000000, -0.0002935900000000 ] - [ 0.0002776100000000, -0.0008787600000000, -0.0014323400000000 ] - [ -0.0010929800000000, 0.0000837000000000, 0.0045998200000000 ] - [ 0.0000712300000000, 0.0003220900000000, -0.0002917600000000 ] - [ 0.0005835900000000, -0.0005953700000000, -0.0037513200000000 ] - [ 0.0003862800000000, -0.0005331600000000, -0.0003481100000000 ] - [ 0.0041089900000000, 0.0005043500000000, 0.0099477200000000 ] - [ -0.0002589400000000, 0.0004523600000000, 0.0000508400000000 ] - [ 0.0000325600000000, -0.0006763600000000, -0.0011699300000000 ] - [ -0.0002716400000000, -0.0003887700000000, -0.0003481800000000 ] - [ 0.0016035500000000, -0.0003611000000000, 0.0061119100000000 ] - [ 0.0022466300000000, 0.0028696100000000, -0.0029246300000000 ] - [ 0.0004814400000000, 0.0005561600000000, 0.0021594000000000 ] - [ -0.0003329800000000, 0.0003381200000000, 0.0015746100000000 ] - [ -0.0001797800000000, 0.0001894600000000, 0.0035946700000000 ] - [ 0.0000347200000000, 0.0007251400000000, -0.0010379300000000 ] - [ -0.0000458100000000, -0.0004303700000000, 0.0022530300000000 ] - [ 0.0003033300000000, -0.0001090700000000, 0.0009893900000000 ] - [ 0.0007214700000000, 0.0003226100000000, 0.0003313800000000 ] - [ 0.0006716900000000, -0.0019979900000000, -0.0091045700000000 ] - [ 0.0001031400000000, 0.0003469100000000, 0.0025472300000000 ] - [ -0.0002723500000000, -0.0006460200000000, -0.0005776500000000 ] - [ -0.0029605300000000, -0.0030207300000000, -0.0136495700000000 ] - [ -0.0002768000000000, 0.0006258700000000, -0.0003612900000000 ] - [ -0.0015582100000000, -0.0006661700000000, -0.0014311700000000 ] - [ -0.0006406200000000, -0.0002268800000000, -0.0000168600000000 ] - [ -0.0010043500000000, 0.0000278600000000, -0.0020809800000000 ] - [ 0.0003651600000000, 0.0000585000000000, 0.0001843000000000 ] - [ -0.0000441500000000, 0.0002737900000000, -0.0002090000000000 ] - [ 0.0000970300000000, 0.0000394000000000, 0.0014255500000000 ] - [ 0.0007546000000000, 0.0005146600000000, 0.0011078100000000 ] - [ 0.0008811400000000, -0.0001189700000000, -0.0005796800000000 ] - [ -0.0002476500000000, 0.0004378200000000, 0.0007350400000000 ] - [ -0.0000039200000000, -0.0000407000000000, 0.0008807100000000 ] - [ -0.0017355500000000, 0.0017467700000000, -0.0001821000000000 ] - [ -0.0003944900000000, -0.0006469400000000, 0.0009488500000000 ] - [ 0.0005837600000000, 0.0005494800000000, -0.0007792700000000 ] - [ -0.0004664300000000, -0.0003907600000000, 0.0007721600000000 ] - [ 0.0009975200000000, -0.0000393300000000, -0.0023769300000000 ] - [ -0.0013963900000000, -0.0015674600000000, -0.0001902500000000 ] - [ 0.0057238900000000, -0.0068244700000000, -0.0161324000000000 ] - [ -0.0001943100000000, -0.0002393700000000, 0.0009129800000000 ] - [ 0.0003491800000000, -0.0012970500000000, -0.0024728900000000 ] - [ 0.0018577200000000, 0.0008781700000000, -0.0082489800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0279883900000000, 0.0050224800000000, -0.0001338500000000 ] - [ 0.0039062300000000, -0.0030425300000000, -0.0074646200000000 ] - [ -0.0096660600000000, 0.0041884200000000, 0.0010363800000000 ] - [ 0.0009953900000000, 0.0003417400000000, 0.0002308800000000 ] - [ 0.0037450300000000, 0.0017747100000000, -0.0048180000000000 ] - [ 0.0004784100000000, -0.0004457700000000, 0.0003436900000000 ] - [ -0.0068275000000000, -0.0038084600000000, 0.0052500300000000 ] - [ 0.0055475600000000, 0.0002816800000000, 0.0002849700000000 ] - [ -0.0009526200000000, -0.0001925800000000, -0.0007262800000000 ] - [ 0.0020187900000000, -0.0006427600000000, 0.0005063700000000 ] - [ -0.0081273200000000, 0.0031561800000000, -0.0042340200000000 ] - [ 0.0011569900000000, -0.0004133500000000, -0.0001305200000000 ] - [ -0.0039481200000000, -0.0001744500000000, -0.0000115600000000 ] - [ 0.0010964200000000, -0.0001731800000000, 0.0001272100000000 ] - [ 0.0038675900000000, 0.0021722500000000, 0.0021644000000000 ] - [ 0.0062721500000000, -0.0076199300000000, -0.0005723400000000 ] - [ -0.0038981500000000, 0.0010624200000000, 0.0009186700000000 ] - [ 0.0022883600000000, -0.0002577500000000, 0.0008109900000000 ] - [ 0.0005998600000000, 0.0003217000000000, 0.0004216100000000 ] - [ 0.0032257200000000, -0.0014592900000000, 0.0029766800000000 ] - [ -0.0021048200000000, 0.0000294000000000, 0.0006804200000000 ] - [ 0.0007699300000000, -0.0002131600000000, -0.0000872600000000 ] - [ -0.0002548600000000, 0.0004513100000000, 0.0002836300000000 ] - [ -0.0000774700000000, -0.0001222300000000, -0.0006260400000000 ] - [ 0.0003110500000000, -0.0003331600000000, 0.0003051300000000 ] - [ -0.0016803300000000, -0.0012376800000000, -0.0004186100000000 ] - [ -0.0005866600000000, 0.0008523100000000, 0.0002168300000000 ] - [ -0.0002097200000000, 0.0003189000000000, 0.0002001600000000 ] - [ 0.0001008600000000, -0.0001576800000000, -0.0001050900000000 ] - [ 0.0002834300000000, -0.0003540900000000, 0.0003992200000000 ] - [ 0.0065663500000000, -0.0081119400000000, 0.0014867700000000 ] - [ 0.0036079600000000, 0.0019381100000000, -0.0021185100000000 ] - [ -0.0001739500000000, -0.0003313400000000, -0.0002969900000000 ] - [ 0.0017196100000000, -0.0034499800000000, -0.0026583400000000 ] - [ 0.0017595800000000, 0.0002375900000000, -0.0001504400000000 ] - [ -0.0044806000000000, 0.0025892900000000, -0.0014297500000000 ] - [ 0.0048648800000000, 0.0086445200000000, 0.0018578700000000 ] - [ -0.0001335700000000, -0.0012799100000000, 0.0008011300000000 ] - [ -0.0013733600000000, 0.0002429600000000, -0.0005793400000000 ] - [ 0.0013797800000000, 0.0005401900000000, 0.0000925500000000 ] - [ -0.1977049600000000, -0.0052608200000000, 0.0274970500000000 ] - [ 0.0060627400000000, 0.0019706400000000, 0.0005728500000000 ] - [ -0.0031409400000000, 0.0008933100000000, 0.0016022500000000 ] - [ 0.0030774400000000, 0.0020293000000000, -0.0004941300000000 ] - [ 0.0003911000000000, -0.0006416200000000, -0.0004951800000000 ] - [ 0.0005517900000000, 0.0010604800000000, -0.0000277100000000 ] - [ 0.0001928300000000, 0.0005345600000000, -0.0017565800000000 ] - [ -0.0020127600000000, 0.0026397400000000, 0.0033077300000000 ] - [ 0.0449138200000000, 0.0312550100000000, -0.0346271400000000 ] - [ -0.0075389200000000, 0.0008400900000000, -0.0022956500000000 ] - [ 0.0587565800000000, -0.0277342200000000, -0.0373518900000000 ] - [ -0.0033744100000000, 0.0002858300000000, 0.0007447700000000 ] - [ 0.0403003000000000, 0.0229594600000000, 0.0221128200000000 ] - [ -0.0072127800000000, 0.0008305000000000, 0.0028837800000000 ] - [ -0.0053905100000000, -0.0019694700000000, 0.0018895200000000 ] - [ 0.0033219800000000, 0.0020280200000000, 0.0005040500000000 ] - [ 0.0355434900000000, -0.0255829900000000, 0.0243896600000000 ] - [ -0.0023960500000000, -0.0000116800000000, -0.0003224200000000 ] - [ 0.0033268300000000, -0.0022643600000000, 0.0005083500000000 ] - [ -0.0019690700000000, 0.0003306200000000, 0.0000724700000000 ] - [ 0.0005108200000000, -0.0015234000000000, -0.0023778700000000 ] - [ -0.0037086900000000, 0.0003323500000000, -0.0012206900000000 ] - [ 0.0011617600000000, 0.0006193600000000, -0.0028958200000000 ] - [ -0.0010521000000000, -0.0003229300000000, 0.0006086400000000 ] - [ -0.0023670500000000, -0.0006572500000000, -0.0008178100000000 ] - [ 0.0024370000000000, 0.0006721500000000, 0.0021511200000000 ] - [ 0.0029219800000000, 0.0001849800000000, 0.0018551600000000 ] - [ -0.0005394300000000, -0.0002162000000000, 0.0000117500000000 ] - [ 0.0018823600000000, 0.0012465900000000, -0.0020275000000000 ] - [ -0.0026460400000000, -0.0019814700000000, 0.0006743700000000 ] - [ -0.0009784200000000, 0.0001790000000000, 0.0002471200000000 ] - [ 0.0015968700000000, -0.0005611700000000, -0.0016794000000000 ] - [ -0.0002049200000000, -0.0022450000000000, 0.0016905400000000 ] - [ -0.0028860400000000, 0.0020314800000000, 0.0002729200000000 ] - [ 0.0001819400000000, 0.0012033600000000, 0.0010562300000000 ] - [ -0.0008896100000000, -0.0003058200000000, -0.0002171000000000 ] - [ 0.0028663400000000, 0.0004775400000000, 0.0008007000000000 ] - [ -0.0039447700000000, -0.0028090300000000, -0.0033922500000000 ] - [ -0.0023967800000000, 0.0000375500000000, 0.0013274400000000 ] - [ 0.0023010700000000, -0.0008994400000000, 0.0003838300000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0270049200000000, -0.0054461400000000, 0.0004322000000000 ] - [ -0.0034342500000000, 0.0025054700000000, 0.0072078200000000 ] - [ 0.0103169200000000, -0.0036355200000000, -0.0016974900000000 ] - [ -0.0003596600000000, 0.0002026900000000, 0.0005697800000000 ] - [ -0.0030113700000000, -0.0024093600000000, 0.0041230500000000 ] - [ 0.0002576800000000, -0.0001691700000000, 0.0003178900000000 ] - [ 0.0080013700000000, 0.0043226900000000, -0.0056611300000000 ] - [ -0.0043646800000000, 0.0002434500000000, 0.0000651100000000 ] - [ 0.0011339800000000, 0.0000285200000000, 0.0004429100000000 ] - [ -0.0018628600000000, 0.0004616100000000, -0.0002391800000000 ] - [ 0.0082872400000000, -0.0030870600000000, 0.0039600600000000 ] - [ -0.0009960200000000, 0.0006074700000000, 0.0004188100000000 ] - [ 0.0051593900000000, -0.0003417800000000, -0.0003224500000000 ] - [ 0.0001319500000000, -0.0003345600000000, 0.0002068400000000 ] - [ -0.0031404400000000, -0.0015406800000000, -0.0028320700000000 ] - [ -0.0055567900000000, 0.0083235100000000, 0.0012364600000000 ] - [ 0.0045396100000000, -0.0016263400000000, -0.0017290900000000 ] - [ -0.0016553400000000, -0.0002774400000000, -0.0000153200000000 ] - [ -0.0001344600000000, 0.0002064000000000, -0.0001106800000000 ] - [ -0.0027392700000000, 0.0020093000000000, -0.0033019300000000 ] - [ 0.0016340100000000, -0.0005495900000000, -0.0003645100000000 ] - [ -0.0012400100000000, -0.0003269700000000, -0.0002321000000000 ] - [ -0.0003640500000000, 0.0000862100000000, 0.0005095400000000 ] - [ -0.0005668100000000, 0.0006716900000000, -0.0001627300000000 ] - [ -0.0010577400000000, -0.0002930900000000, 0.0003536300000000 ] - [ 0.0009373100000000, 0.0006142400000000, -0.0002443700000000 ] - [ -0.0006305700000000, -0.0003504500000000, -0.0005556100000000 ] - [ -0.0010160200000000, 0.0001947300000000, 0.0001406200000000 ] - [ -0.0002690000000000, -0.0000227000000000, -0.0001814700000000 ] - [ -0.0004430100000000, 0.0001732700000000, -0.0001083900000000 ] - [ -0.0067093600000000, 0.0082083100000000, -0.0017889400000000 ] - [ -0.0037664100000000, -0.0017677200000000, 0.0024162200000000 ] - [ -0.0010418100000000, -0.0001667100000000, 0.0006269400000000 ] - [ -0.0029517000000000, 0.0029385300000000, 0.0023122600000000 ] - [ -0.0025018800000000, 0.0003652100000000, 0.0008278100000000 ] - [ 0.0037302600000000, -0.0019507700000000, 0.0007512700000000 ] - [ -0.0054924900000000, -0.0092847200000000, -0.0010619800000000 ] - [ -0.0005112800000000, 0.0007253200000000, -0.0015907000000000 ] - [ 0.0009026500000000, 0.0002891200000000, 0.0008864600000000 ] - [ -0.0018583800000000, -0.0000243700000000, -0.0004220300000000 ] - [ 0.1954860000000000, 0.0048275700000000, -0.0276081300000000 ] - [ -0.0060551500000000, -0.0032091600000000, 0.0000041200000000 ] - [ 0.0031594900000000, 0.0003206800000000, -0.0021101100000000 ] - [ -0.0030510900000000, -0.0007897400000000, 0.0009990300000000 ] - [ -0.0004279300000000, -0.0005863400000000, -0.0000170600000000 ] - [ -0.0005553500000000, -0.0022695100000000, 0.0005475400000000 ] - [ -0.0002018500000000, 0.0007068500000000, 0.0012335200000000 ] - [ 0.0020247000000000, -0.0014476200000000, -0.0028015400000000 ] - [ -0.0452622900000000, -0.0316455700000000, 0.0345952000000000 ] - [ 0.0074555300000000, -0.0001563400000000, 0.0034889600000000 ] - [ -0.0582486600000000, 0.0267035900000000, 0.0359664500000000 ] - [ 0.0022805800000000, 0.0001143800000000, -0.0014662600000000 ] - [ -0.0395369700000000, -0.0219965500000000, -0.0217367600000000 ] - [ 0.0074481300000000, -0.0009653400000000, -0.0022799100000000 ] - [ 0.0060005900000000, 0.0022548300000000, -0.0022699900000000 ] - [ -0.0026708600000000, -0.0016883600000000, -0.0000500600000000 ] - [ -0.0348586400000000, 0.0259038600000000, -0.0245772900000000 ] - [ 0.0030546700000000, -0.0002967000000000, -0.0000978600000000 ] - [ -0.0031339100000000, 0.0023835300000000, -0.0011705300000000 ] - [ 0.0021475800000000, -0.0002279700000000, 0.0005558400000000 ] - [ -0.0015937100000000, 0.0011338100000000, 0.0031168800000000 ] - [ 0.0026239000000000, -0.0007273400000000, 0.0005154200000000 ] - [ -0.0011834600000000, -0.0012698000000000, 0.0016248700000000 ] - [ 0.0010170600000000, -0.0003335700000000, 0.0006156200000000 ] - [ 0.0023972600000000, 0.0013133400000000, -0.0004382700000000 ] - [ -0.0024246400000000, -0.0000206500000000, -0.0008914500000000 ] - [ -0.0018234200000000, 0.0002157400000000, -0.0011413900000000 ] - [ 0.0016114800000000, 0.0005954700000000, -0.0007110700000000 ] - [ -0.0020620700000000, -0.0013512000000000, 0.0013824300000000 ] - [ 0.0024462600000000, 0.0018812900000000, -0.0000367300000000 ] - [ 0.0003245600000000, 0.0001368900000000, 0.0001964800000000 ] - [ -0.0022765000000000, 0.0008831800000000, 0.0012284900000000 ] - [ -0.0004438500000000, 0.0019161700000000, -0.0021155100000000 ] - [ 0.0022340800000000, -0.0023431200000000, 0.0001580400000000 ] - [ -0.0003675900000000, -0.0010960000000000, -0.0017078100000000 ] - [ 0.0007070300000000, 0.0004264000000000, 0.0008885100000000 ] - [ -0.0017900100000000, -0.0008726300000000, -0.0000764000000000 ] - [ 0.0050507500000000, 0.0024531700000000, 0.0027097000000000 ] - [ 0.0024333400000000, -0.0006909100000000, -0.0025706800000000 ] - [ -0.0022868200000000, 0.0002410600000000, 0.0008641900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0058240600000000, -0.0085235200000000, -0.0038451500000000 ] - [ -0.0001038400000000, -0.0061773900000000, 0.0001212900000000 ] - [ 0.0040626100000000, -0.0097828800000000, 0.0009335900000000 ] - [ 0.0003318900000000, -0.0007847900000000, 0.0004044700000000 ] - [ -0.0003994400000000, -0.0039296300000000, 0.0015185400000000 ] - [ 0.0001619300000000, -0.0014996000000000, -0.0005112500000000 ] - [ -0.0034505100000000, -0.0092616000000000, -0.0009963600000000 ] - [ 0.0003275400000000, -0.0016227900000000, 0.0006788500000000 ] - [ 0.0000580900000000, -0.0015334100000000, -0.0001318100000000 ] - [ -0.0007371600000000, -0.0014310900000000, 0.0001973900000000 ] - [ 0.0027619400000000, 0.0272514700000000, -0.0001479800000000 ] - [ 0.0003206100000000, 0.0003355400000000, 0.0002729700000000 ] - [ 0.0032094600000000, 0.0037509200000000, -0.0052137300000000 ] - [ 0.0006526000000000, -0.0000588400000000, 0.0000569000000000 ] - [ 0.0032908700000000, 0.0029988000000000, 0.0020159600000000 ] - [ -0.0077154200000000, 0.0051350800000000, 0.0019909600000000 ] - [ -0.0014348600000000, 0.0037440300000000, 0.0047613200000000 ] - [ 0.0006354700000000, -0.0000879500000000, 0.0003412400000000 ] - [ 0.0006081900000000, 0.0001855000000000, 0.0006444900000000 ] - [ -0.0023088900000000, 0.0022529100000000, -0.0031802000000000 ] - [ -0.0002045400000000, 0.0045799500000000, 0.0001204500000000 ] - [ -0.0002101900000000, 0.0004545400000000, -0.0001958300000000 ] - [ -0.0005471400000000, 0.0011190000000000, 0.0002534700000000 ] - [ -0.0000341800000000, 0.0013047800000000, -0.0006429100000000 ] - [ -0.0003263200000000, 0.0003466200000000, 0.0003593100000000 ] - [ -0.0007935800000000, 0.0016720800000000, -0.0001356300000000 ] - [ -0.0004853700000000, 0.0019987900000000, -0.0005347200000000 ] - [ -0.0006847900000000, 0.0022608800000000, -0.0003445400000000 ] - [ 0.0001073300000000, 0.0008272700000000, -0.0000532800000000 ] - [ -0.0000407700000000, 0.0017061600000000, 0.0003343000000000 ] - [ -0.0090566100000000, 0.0050384700000000, -0.0011055300000000 ] - [ 0.0027093800000000, 0.0030793800000000, -0.0021341800000000 ] - [ -0.0005468800000000, 0.0000066600000000, -0.0002135000000000 ] - [ -0.0027684200000000, 0.0032737100000000, 0.0024134800000000 ] - [ -0.0000946800000000, 0.0006363500000000, 0.0001874000000000 ] - [ -0.0015354700000000, 0.0050630500000000, -0.0051541200000000 ] - [ 0.0088207500000000, 0.0069478600000000, 0.0016911300000000 ] - [ -0.0013857000000000, -0.0005838100000000, -0.0012199100000000 ] - [ -0.0001704600000000, 0.0006936200000000, 0.0000309300000000 ] - [ -0.0003267400000000, 0.0007953300000000, 0.0000047800000000 ] - [ -0.0045303100000000, -0.2121869500000000, 0.0337541100000000 ] - [ 0.0026562600000000, -0.0044138700000000, 0.0005687000000000 ] - [ -0.0002304200000000, 0.0006701600000000, -0.0004639600000000 ] - [ -0.0013698800000000, 0.0004474300000000, -0.0001985700000000 ] - [ -0.0000190900000000, 0.0055689000000000, 0.0016985600000000 ] - [ -0.0017119200000000, 0.0039575800000000, 0.0018563300000000 ] - [ -0.0001247400000000, 0.0014799500000000, 0.0003198700000000 ] - [ 0.0019858200000000, -0.0002674700000000, 0.0036490100000000 ] - [ 0.0308609200000000, 0.0510316200000000, -0.0382256800000000 ] - [ 0.0006729900000000, 0.0034126200000000, 0.0025233400000000 ] - [ -0.0245345200000000, 0.0339493200000000, 0.0223753800000000 ] - [ -0.0030688000000000, 0.0017898600000000, 0.0012000900000000 ] - [ 0.0239694300000000, 0.0455323400000000, 0.0249135600000000 ] - [ 0.0010647000000000, 0.0029696700000000, -0.0014271900000000 ] - [ 0.0010856200000000, 0.0030640100000000, 0.0004851000000000 ] - [ 0.0023816700000000, 0.0030773200000000, -0.0008085200000000 ] - [ -0.0295138800000000, 0.0620607900000000, -0.0404716200000000 ] - [ -0.0015620600000000, 0.0008598900000000, -0.0012546800000000 ] - [ -0.0024134500000000, 0.0026110200000000, 0.0007575000000000 ] - [ 0.0014629300000000, 0.0008389600000000, 0.0013659700000000 ] - [ -0.0007184900000000, -0.0022776100000000, -0.0017346400000000 ] - [ 0.0020903200000000, -0.0025805900000000, 0.0002707600000000 ] - [ 0.0002730100000000, -0.0027547300000000, 0.0009681900000000 ] - [ 0.0000402000000000, -0.0010894300000000, 0.0008735300000000 ] - [ -0.0006951700000000, -0.0032796100000000, -0.0005993700000000 ] - [ 0.0033089400000000, -0.0070518600000000, -0.0022673800000000 ] - [ -0.0018153500000000, -0.0062719300000000, 0.0008613100000000 ] - [ 0.0006995600000000, -0.0010151100000000, -0.0004965100000000 ] - [ 0.0033614100000000, -0.0070154900000000, 0.0003548200000000 ] - [ -0.0008138800000000, -0.0039777100000000, 0.0011315900000000 ] - [ -0.0000793300000000, -0.0009339400000000, 0.0002587700000000 ] - [ -0.0025259800000000, -0.0045030100000000, -0.0028755600000000 ] - [ -0.0006931400000000, -0.0034258300000000, 0.0005941000000000 ] - [ 0.0003660500000000, -0.0033605700000000, 0.0001459900000000 ] - [ -0.0000029600000000, -0.0018783500000000, -0.0009061800000000 ] - [ -0.0004126300000000, -0.0010387600000000, -0.0003920900000000 ] - [ 0.0021939100000000, 0.0008633400000000, 0.0019385300000000 ] - [ -0.0006637000000000, 0.0012311900000000, -0.0021981300000000 ] - [ 0.0013092200000000, -0.0000400100000000, -0.0022641500000000 ] - [ -0.0008040200000000, 0.0017654400000000, 0.0001465300000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0054455800000000, 0.0079489600000000, 0.0041672000000000 ] - [ 0.0005942900000000, 0.0056500900000000, -0.0004579000000000 ] - [ -0.0034049400000000, 0.0103711900000000, -0.0016028100000000 ] - [ 0.0003273600000000, 0.0013622500000000, 0.0003939300000000 ] - [ 0.0011271700000000, 0.0033294400000000, -0.0021863700000000 ] - [ 0.0005709200000000, 0.0009152100000000, 0.0011820600000000 ] - [ 0.0046677900000000, 0.0097857100000000, 0.0005717100000000 ] - [ 0.0009083400000000, 0.0021404200000000, -0.0003533600000000 ] - [ 0.0001267500000000, 0.0013706300000000, -0.0001585600000000 ] - [ 0.0009190400000000, 0.0012589100000000, 0.0000882200000000 ] - [ -0.0025114100000000, -0.0265803700000000, -0.0001375600000000 ] - [ -0.0001384600000000, -0.0001767000000000, 0.0000205600000000 ] - [ -0.0019771200000000, -0.0042716300000000, 0.0048304900000000 ] - [ 0.0005762300000000, -0.0004640900000000, 0.0002676000000000 ] - [ -0.0025580500000000, -0.0023999500000000, -0.0026727800000000 ] - [ 0.0083741100000000, -0.0045260400000000, -0.0013348200000000 ] - [ 0.0021034300000000, -0.0043175600000000, -0.0055117000000000 ] - [ 0.0000269500000000, -0.0004992500000000, 0.0004595400000000 ] - [ -0.0001435900000000, 0.0003338100000000, -0.0003267400000000 ] - [ 0.0027728700000000, -0.0017263900000000, 0.0028496400000000 ] - [ -0.0002674600000000, -0.0051161300000000, 0.0001969500000000 ] - [ -0.0002642900000000, -0.0009770400000000, -0.0001084100000000 ] - [ -0.0001138900000000, -0.0005411100000000, 0.0005578000000000 ] - [ -0.0006254500000000, -0.0007213200000000, -0.0001689400000000 ] - [ -0.0004018400000000, -0.0009421400000000, 0.0003094100000000 ] - [ 0.0000683100000000, -0.0022655000000000, -0.0005556200000000 ] - [ -0.0007358000000000, -0.0014955300000000, 0.0002303100000000 ] - [ -0.0005586000000000, -0.0017479600000000, 0.0006636000000000 ] - [ -0.0002896300000000, -0.0010015400000000, -0.0002383300000000 ] - [ -0.0001472000000000, -0.0018866100000000, -0.0000534100000000 ] - [ 0.0089618100000000, -0.0048714900000000, 0.0008075600000000 ] - [ -0.0029029000000000, -0.0029084300000000, 0.0024351400000000 ] - [ -0.0006851100000000, -0.0005254300000000, 0.0005381500000000 ] - [ 0.0015545900000000, -0.0037842900000000, -0.0027611900000000 ] - [ -0.0006231900000000, -0.0000345100000000, 0.0004829800000000 ] - [ 0.0008003300000000, -0.0044730200000000, 0.0045422000000000 ] - [ -0.0095930800000000, -0.0075588300000000, -0.0008946900000000 ] - [ 0.0007268000000000, 0.0000143900000000, 0.0004206500000000 ] - [ -0.0002940400000000, -0.0001696800000000, 0.0002853500000000 ] - [ -0.0001391000000000, -0.0002669800000000, -0.0003283900000000 ] - [ 0.0055378500000000, 0.2086761400000000, -0.0344833400000000 ] - [ -0.0026075200000000, 0.0032407900000000, -0.0000684500000000 ] - [ 0.0002754500000000, 0.0004952000000000, -0.0000438300000000 ] - [ 0.0014118800000000, 0.0007239900000000, 0.0007085900000000 ] - [ -0.0000019800000000, -0.0067433900000000, -0.0022028300000000 ] - [ 0.0016589700000000, -0.0051347100000000, -0.0013245500000000 ] - [ 0.0000891400000000, -0.0002753800000000, -0.0008212600000000 ] - [ -0.0020453500000000, 0.0014906300000000, -0.0031708700000000 ] - [ -0.0321228800000000, -0.0510468100000000, 0.0385346200000000 ] - [ -0.0006894400000000, -0.0027728200000000, -0.0012754900000000 ] - [ 0.0240434300000000, -0.0335193800000000, -0.0222213700000000 ] - [ 0.0019650800000000, -0.0013894700000000, -0.0019163400000000 ] - [ -0.0225419600000000, -0.0446621600000000, -0.0242346600000000 ] - [ -0.0009073700000000, -0.0030869100000000, 0.0020907000000000 ] - [ -0.0004333800000000, -0.0027417500000000, -0.0009068600000000 ] - [ -0.0017207300000000, -0.0027293500000000, 0.0012759300000000 ] - [ 0.0286947300000000, -0.0607945100000000, 0.0387759900000000 ] - [ 0.0022358200000000, -0.0011985600000000, 0.0008122500000000 ] - [ 0.0025659000000000, -0.0024856400000000, -0.0014257500000000 ] - [ -0.0012869800000000, -0.0007416000000000, -0.0007422300000000 ] - [ -0.0003717200000000, 0.0018946500000000, 0.0024714500000000 ] - [ -0.0031605800000000, 0.0022031100000000, -0.0009761600000000 ] - [ -0.0002953200000000, 0.0021187600000000, -0.0022199200000000 ] - [ -0.0000942500000000, 0.0004763500000000, 0.0003567100000000 ] - [ 0.0006959300000000, 0.0039737400000000, -0.0006674100000000 ] - [ -0.0032305800000000, 0.0076415700000000, 0.0034552700000000 ] - [ 0.0029060100000000, 0.0066533200000000, -0.0001092800000000 ] - [ 0.0003673700000000, 0.0014111400000000, -0.0002088900000000 ] - [ -0.0035548800000000, 0.0069270300000000, -0.0010553400000000 ] - [ 0.0006274000000000, 0.0038730100000000, -0.0004884400000000 ] - [ -0.0005650000000000, 0.0012227400000000, 0.0001485500000000 ] - [ 0.0019103600000000, 0.0048364100000000, 0.0024857900000000 ] - [ 0.0000513200000000, 0.0031002400000000, -0.0010188500000000 ] - [ -0.0010529000000000, 0.0029907600000000, 0.0003209200000000 ] - [ -0.0001828100000000, 0.0019447800000000, 0.0002758900000000 ] - [ 0.0002362800000000, 0.0011209400000000, 0.0010436800000000 ] - [ -0.0011246000000000, -0.0012707900000000, -0.0012263600000000 ] - [ 0.0017372300000000, -0.0016466100000000, 0.0015039300000000 ] - [ -0.0012550400000000, -0.0005965300000000, 0.0010254100000000 ] - [ 0.0008487500000000, -0.0024104500000000, 0.0010732800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003294000000000, -0.0040176300000000, -0.0105091800000000 ] - [ -0.0069846500000000, 0.0023116100000000, 0.0060076000000000 ] - [ 0.0015979700000000, 0.0012788500000000, 0.0297202400000000 ] - [ 0.0002201100000000, 0.0002630400000000, 0.0017753700000000 ] - [ -0.0038163700000000, -0.0016064400000000, 0.0042063200000000 ] - [ 0.0003275200000000, -0.0007254800000000, 0.0026630100000000 ] - [ 0.0064083700000000, -0.0002983500000000, 0.0257903900000000 ] - [ 0.0006924900000000, 0.0008086000000000, -0.0023849300000000 ] - [ 0.0000490600000000, -0.0001740100000000, 0.0033502400000000 ] - [ 0.0002456100000000, 0.0000558700000000, 0.0007483900000000 ] - [ -0.0035120400000000, -0.0004968200000000, -0.0103556300000000 ] - [ 0.0003016100000000, 0.0003244000000000, 0.0003547000000000 ] - [ -0.0015973300000000, -0.0059272200000000, 0.0037854100000000 ] - [ 0.0005900100000000, -0.0001730300000000, 0.0013526700000000 ] - [ 0.0031755000000000, 0.0025446000000000, 0.0028563600000000 ] - [ 0.0022434400000000, -0.0002096000000000, -0.0058548300000000 ] - [ -0.0013607000000000, 0.0049566600000000, 0.0035565300000000 ] - [ 0.0011729800000000, -0.0001546400000000, -0.0015886800000000 ] - [ -0.0000652800000000, 0.0001265900000000, 0.0018873100000000 ] - [ 0.0029605800000000, -0.0019871300000000, 0.0039826900000000 ] - [ 0.0002096100000000, -0.0008600900000000, -0.0022081300000000 ] - [ -0.0004725100000000, -0.0002624500000000, 0.0002143800000000 ] - [ -0.0003535200000000, 0.0001739600000000, 0.0015424200000000 ] - [ -0.0002555300000000, 0.0003670400000000, -0.0001376400000000 ] - [ -0.0004032500000000, -0.0002836800000000, 0.0012389400000000 ] - [ -0.0005359800000000, -0.0000201100000000, 0.0001579100000000 ] - [ -0.0003074700000000, 0.0007867200000000, 0.0003522100000000 ] - [ -0.0005056900000000, -0.0004987300000000, -0.0016865100000000 ] - [ 0.0000666400000000, -0.0000420400000000, 0.0007711800000000 ] - [ 0.0000793100000000, -0.0006137800000000, 0.0007602000000000 ] - [ -0.0007797900000000, 0.0015185000000000, -0.0065335000000000 ] - [ -0.0028007000000000, -0.0019534800000000, 0.0033288900000000 ] - [ -0.0003968900000000, -0.0001907600000000, 0.0019562900000000 ] - [ -0.0028768100000000, 0.0032309700000000, 0.0031356600000000 ] - [ -0.0011199000000000, 0.0003639000000000, -0.0015207900000000 ] - [ 0.0013981200000000, -0.0047054900000000, 0.0033670400000000 ] - [ -0.0010572000000000, -0.0011979700000000, -0.0062951600000000 ] - [ 0.0008527000000000, -0.0014415000000000, -0.0001634900000000 ] - [ -0.0006123100000000, 0.0004655900000000, 0.0020512100000000 ] - [ -0.0004017900000000, 0.0004995100000000, 0.0002800700000000 ] - [ 0.0276529700000000, 0.0335987300000000, -0.2609193700000000 ] - [ -0.0002751700000000, -0.0009268700000000, 0.0007120800000000 ] - [ 0.0018652000000000, 0.0008392500000000, 0.0067523400000000 ] - [ 0.0007495000000000, 0.0001599200000000, 0.0018468800000000 ] - [ 0.0002359700000000, 0.0013358300000000, -0.0053687200000000 ] - [ -0.0002966700000000, -0.0021977300000000, 0.0011176500000000 ] - [ 0.0014937700000000, 0.0000285900000000, 0.0040858800000000 ] - [ 0.0030400300000000, 0.0040087200000000, 0.0012126100000000 ] - [ -0.0384779100000000, -0.0416950700000000, 0.0662585000000000 ] - [ -0.0004953800000000, 0.0018516500000000, 0.0039166500000000 ] - [ -0.0364298700000000, 0.0244618300000000, 0.0544768600000000 ] - [ 0.0013830200000000, 0.0002636200000000, -0.0031297300000000 ] - [ 0.0229214600000000, 0.0242540600000000, 0.0429401000000000 ] - [ 0.0018657000000000, -0.0018230200000000, 0.0026497700000000 ] - [ 0.0022393400000000, 0.0019706400000000, 0.0011483900000000 ] - [ 0.0008212100000000, -0.0026636800000000, -0.0082554000000000 ] - [ 0.0270524200000000, -0.0379293600000000, 0.0562487700000000 ] - [ -0.0008544900000000, -0.0003628400000000, -0.0023089700000000 ] - [ 0.0004687800000000, 0.0030826200000000, -0.0082503700000000 ] - [ -0.0008738600000000, 0.0001498000000000, -0.0021200700000000 ] - [ -0.0006269800000000, -0.0010913400000000, -0.0038382700000000 ] - [ -0.0030468700000000, 0.0018121300000000, 0.0001606600000000 ] - [ -0.0000171200000000, 0.0006443500000000, -0.0043633600000000 ] - [ -0.0002484700000000, 0.0000886800000000, -0.0009373400000000 ] - [ -0.0015366000000000, -0.0018490800000000, 0.0007888100000000 ] - [ 0.0013975100000000, -0.0002426400000000, 0.0038356800000000 ] - [ 0.0023699400000000, 0.0014657200000000, 0.0034756500000000 ] - [ 0.0008355100000000, 0.0002870000000000, -0.0015740100000000 ] - [ -0.0024278400000000, 0.0014727300000000, 0.0028535600000000 ] - [ 0.0019702600000000, 0.0023696600000000, 0.0012232600000000 ] - [ -0.0005523400000000, 0.0003247600000000, -0.0012561200000000 ] - [ -0.0016169800000000, -0.0008708800000000, 0.0017759200000000 ] - [ 0.0001185300000000, 0.0016526900000000, -0.0029884600000000 ] - [ 0.0010686700000000, -0.0027107900000000, 0.0021293000000000 ] - [ 0.0004291200000000, -0.0003883600000000, -0.0030784700000000 ] - [ -0.0005048200000000, -0.0004994600000000, -0.0010325000000000 ] - [ -0.0019637900000000, 0.0022549700000000, -0.0055436000000000 ] - [ -0.0006004400000000, -0.0017724100000000, 0.0017620300000000 ] - [ 0.0007724000000000, -0.0011506400000000, -0.0040343600000000 ] - [ -0.0019522500000000, -0.0024397300000000, -0.0043273900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006902100000000, 0.0034689400000000, 0.0108161100000000 ] - [ 0.0073729400000000, -0.0028355600000000, -0.0062724700000000 ] - [ -0.0009819400000000, -0.0007324800000000, -0.0311213600000000 ] - [ 0.0004256100000000, 0.0003066600000000, -0.0009652100000000 ] - [ 0.0045807000000000, 0.0009978600000000, -0.0048805700000000 ] - [ 0.0003908500000000, 0.0001299500000000, -0.0019985400000000 ] - [ -0.0050313700000000, 0.0008132000000000, -0.0256504500000000 ] - [ 0.0005558800000000, -0.0002843400000000, 0.0027167200000000 ] - [ 0.0001425600000000, 0.0000004400000000, -0.0036452100000000 ] - [ -0.0000728600000000, -0.0002331700000000, -0.0004509900000000 ] - [ 0.0036877100000000, 0.0005580900000000, 0.0100666300000000 ] - [ -0.0001156000000000, -0.0001567300000000, -0.0000700100000000 ] - [ 0.0028271000000000, 0.0054594800000000, -0.0041277500000000 ] - [ 0.0006435800000000, -0.0003469400000000, -0.0010328600000000 ] - [ -0.0024350500000000, -0.0019325600000000, -0.0035217300000000 ] - [ -0.0014847800000000, 0.0007770500000000, 0.0065187300000000 ] - [ 0.0020224900000000, -0.0054828100000000, -0.0043638400000000 ] - [ -0.0005363000000000, -0.0004099600000000, 0.0023916400000000 ] - [ 0.0005494400000000, 0.0004177300000000, -0.0015999800000000 ] - [ -0.0025020000000000, 0.0025357200000000, -0.0042829600000000 ] - [ -0.0006820200000000, 0.0003399100000000, 0.0025097500000000 ] - [ -0.0000023600000000, -0.0002755100000000, -0.0005154700000000 ] - [ -0.0002857100000000, 0.0003906700000000, -0.0007567400000000 ] - [ -0.0003816900000000, 0.0001982500000000, -0.0006541800000000 ] - [ -0.0003263300000000, -0.0003156400000000, -0.0005740600000000 ] - [ -0.0001965200000000, -0.0005813000000000, -0.0008143800000000 ] - [ -0.0009358900000000, -0.0002688800000000, -0.0006922400000000 ] - [ -0.0007387800000000, 0.0010168200000000, 0.0020175400000000 ] - [ -0.0002513600000000, -0.0001231300000000, -0.0010650300000000 ] - [ -0.0002623000000000, 0.0004462400000000, -0.0004594100000000 ] - [ 0.0005517800000000, -0.0013190000000000, 0.0062410100000000 ] - [ 0.0026074100000000, 0.0021007000000000, -0.0030330200000000 ] - [ -0.0008502500000000, -0.0003318100000000, -0.0016307000000000 ] - [ 0.0016542100000000, -0.0037611400000000, -0.0034657500000000 ] - [ 0.0003903000000000, 0.0002315900000000, 0.0021825900000000 ] - [ -0.0021342700000000, 0.0052617700000000, -0.0040307700000000 ] - [ 0.0004570500000000, 0.0006744200000000, 0.0070854800000000 ] - [ -0.0014880200000000, 0.0008711800000000, -0.0006400400000000 ] - [ 0.0001378800000000, 0.0000572900000000, -0.0017562700000000 ] - [ -0.0000723100000000, 0.0000264200000000, -0.0005740600000000 ] - [ -0.0274424300000000, -0.0346314700000000, 0.2605534500000000 ] - [ 0.0002936200000000, -0.0002886700000000, -0.0002187000000000 ] - [ -0.0018429400000000, 0.0004267800000000, -0.0072627600000000 ] - [ -0.0007294200000000, 0.0010704800000000, -0.0013240900000000 ] - [ -0.0002547100000000, -0.0025606600000000, 0.0048602600000000 ] - [ 0.0002744100000000, 0.0009844700000000, -0.0006214500000000 ] - [ -0.0015002200000000, 0.0011757700000000, -0.0045804700000000 ] - [ -0.0030835200000000, -0.0028084700000000, -0.0006768000000000 ] - [ 0.0365307300000000, 0.0402484000000000, -0.0657125900000000 ] - [ 0.0004462400000000, -0.0012141800000000, -0.0027806800000000 ] - [ 0.0373615400000000, -0.0253668500000000, -0.0550343800000000 ] - [ -0.0023470600000000, 0.0000697500000000, 0.0024722800000000 ] - [ -0.0215593800000000, -0.0231059400000000, -0.0427818200000000 ] - [ -0.0016317200000000, 0.0017163700000000, -0.0020105200000000 ] - [ -0.0016372500000000, -0.0017503800000000, -0.0015447200000000 ] - [ -0.0002004500000000, 0.0028449500000000, 0.0085910800000000 ] - [ -0.0277123800000000, 0.0396579100000000, -0.0570730000000000 ] - [ 0.0014542400000000, 0.0001460400000000, 0.0019412000000000 ] - [ -0.0002529800000000, -0.0030022300000000, 0.0076590700000000 ] - [ 0.0011162400000000, -0.0000483500000000, 0.0027389100000000 ] - [ -0.0003608900000000, 0.0007492000000000, 0.0045324600000000 ] - [ 0.0020602400000000, -0.0021409400000000, -0.0008383800000000 ] - [ -0.0000224600000000, -0.0012969300000000, 0.0032126100000000 ] - [ 0.0001941800000000, -0.0007334300000000, 0.0020615500000000 ] - [ 0.0015899000000000, 0.0024961900000000, -0.0019157700000000 ] - [ -0.0013607100000000, 0.0008972300000000, -0.0026853800000000 ] - [ -0.0013965100000000, -0.0011363900000000, -0.0028215400000000 ] - [ 0.0001524200000000, 0.0000479100000000, 0.0009028300000000 ] - [ 0.0021906900000000, -0.0015805900000000, -0.0034692400000000 ] - [ -0.0021992600000000, -0.0024924200000000, -0.0005862500000000 ] - [ -0.0000689300000000, -0.0000874800000000, 0.0016556500000000 ] - [ 0.0010068500000000, 0.0010926100000000, -0.0021807600000000 ] - [ -0.0007287500000000, -0.0018814000000000, 0.0026101900000000 ] - [ -0.0016746500000000, 0.0024836800000000, -0.0017494800000000 ] - [ -0.0006589200000000, 0.0005128900000000, 0.0024289200000000 ] - [ 0.0002812600000000, 0.0006155900000000, 0.0016600200000000 ] - [ 0.0029255200000000, -0.0025610000000000, 0.0061933900000000 ] - [ 0.0015839400000000, 0.0014353900000000, -0.0024518600000000 ] - [ -0.0007388300000000, 0.0005014800000000, 0.0028684800000000 ] - [ 0.0020223200000000, 0.0018252700000000, 0.0054781300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027705500000000, -0.0001914900000000, 0.0003844600000000 ] - [ 0.0069794400000000, 0.0017012300000000, 0.0011603700000000 ] - [ 0.0019467400000000, -0.0000106600000000, 0.0006582000000000 ] - [ -0.0007528500000000, 0.0005263800000000, 0.0012267400000000 ] - [ -0.0008390500000000, -0.0013169600000000, 0.0007939800000000 ] - [ 0.0012232700000000, 0.0004032900000000, 0.0013298200000000 ] - [ 0.0031225100000000, -0.0023567200000000, -0.0055757500000000 ] - [ -0.0026365500000000, 0.0012422200000000, -0.0016444400000000 ] - [ 0.0010368400000000, -0.0003055300000000, -0.0006411900000000 ] - [ -0.0008298800000000, 0.0003256000000000, -0.0001569600000000 ] - [ 0.0017397100000000, -0.0013476800000000, 0.0008615700000000 ] - [ -0.0008857600000000, 0.0008120900000000, 0.0005157900000000 ] - [ 0.0009565500000000, -0.0006259500000000, 0.0002895900000000 ] - [ 0.0003782200000000, -0.0000964800000000, 0.0005495300000000 ] - [ -0.0017890300000000, -0.0003409000000000, -0.0020390000000000 ] - [ 0.0014382600000000, 0.0016858100000000, -0.0008819500000000 ] - [ 0.0024288800000000, -0.0013795300000000, -0.0015290900000000 ] - [ -0.0009571200000000, 0.0001997600000000, -0.0002640600000000 ] - [ -0.0003605300000000, 0.0002066600000000, 0.0002172900000000 ] - [ 0.0007391000000000, 0.0002955500000000, -0.0000858700000000 ] - [ 0.0014037600000000, 0.0004222400000000, 0.0005446200000000 ] - [ -0.0018082300000000, -0.0007002600000000, 0.0002543900000000 ] - [ -0.0000715500000000, -0.0000361600000000, 0.0007712600000000 ] - [ -0.0006942700000000, 0.0003846900000000, -0.0002084800000000 ] - [ -0.0009748200000000, -0.0003262000000000, 0.0004627000000000 ] - [ 0.0002971500000000, -0.0003515000000000, -0.0002536100000000 ] - [ -0.0009432000000000, 0.0004869800000000, -0.0008435700000000 ] - [ -0.0002841400000000, -0.0006541600000000, -0.0006562200000000 ] - [ -0.0003478800000000, 0.0000265800000000, -0.0001817400000000 ] - [ 0.0001012700000000, -0.0003890600000000, 0.0000770800000000 ] - [ -0.0033655300000000, 0.0011256800000000, 0.0002222800000000 ] - [ 0.0099743600000000, 0.0020889900000000, -0.0016357600000000 ] - [ -0.0003088700000000, -0.0009460100000000, 0.0015633300000000 ] - [ -0.0013489800000000, 0.0011454500000000, 0.0007380100000000 ] - [ -0.0027577000000000, -0.0001686400000000, -0.0004115200000000 ] - [ 0.0081704200000000, 0.0001533200000000, -0.0001993300000000 ] - [ 0.0086710000000000, 0.0010890000000000, 0.0012278500000000 ] - [ -0.0027505600000000, 0.0000567100000000, -0.0008196500000000 ] - [ 0.0010251000000000, 0.0007094200000000, 0.0001012100000000 ] - [ -0.0013377200000000, -0.0000391100000000, -0.0003915500000000 ] - [ 0.0452753000000000, 0.0314489700000000, -0.0384248700000000 ] - [ -0.0074616500000000, 0.0000483100000000, 0.0007149500000000 ] - [ 0.0011995900000000, 0.0003376700000000, -0.0002516100000000 ] - [ -0.0010342400000000, 0.0005367400000000, 0.0004732600000000 ] - [ -0.0023928900000000, 0.0000694500000000, 0.0013141700000000 ] - [ 0.0024197600000000, -0.0038754900000000, 0.0016338700000000 ] - [ -0.0024167000000000, 0.0018958300000000, -0.0010118600000000 ] - [ 0.0022745200000000, -0.0002137600000000, -0.0017326400000000 ] - [ -0.0995259600000000, -0.0496488600000000, 0.0494634200000000 ] - [ 0.0046491300000000, 0.0007614500000000, 0.0014774900000000 ] - [ 0.0049422200000000, 0.0008540700000000, -0.0086167200000000 ] - [ 0.0052433300000000, -0.0009310600000000, -0.0063017500000000 ] - [ 0.0077921200000000, 0.0143085300000000, 0.0003576800000000 ] - [ 0.0060598200000000, -0.0051098400000000, 0.0001454700000000 ] - [ 0.0025056100000000, 0.0004161900000000, -0.0002013000000000 ] - [ -0.0029147900000000, -0.0000462900000000, 0.0003604400000000 ] - [ -0.0036070100000000, 0.0005051500000000, -0.0006169100000000 ] - [ 0.0029579100000000, -0.0010834300000000, -0.0008340300000000 ] - [ -0.0003217400000000, 0.0008754400000000, -0.0011250300000000 ] - [ 0.0004231400000000, -0.0005438500000000, -0.0002891200000000 ] - [ -0.0007686000000000, 0.0002096100000000, 0.0014575300000000 ] - [ -0.0002559800000000, 0.0000066100000000, 0.0003437900000000 ] - [ -0.0008759000000000, 0.0001943500000000, -0.0006280100000000 ] - [ 0.0007565500000000, -0.0005108600000000, 0.0004374800000000 ] - [ 0.0032645600000000, -0.0000191600000000, -0.0001337800000000 ] - [ -0.0027946300000000, 0.0016667000000000, 0.0011390800000000 ] - [ 0.0002715600000000, 0.0005148600000000, -0.0006660700000000 ] - [ 0.0009373400000000, 0.0006708400000000, -0.0013754800000000 ] - [ 0.0033590400000000, -0.0051306700000000, -0.0010268300000000 ] - [ 0.0034098400000000, 0.0077803800000000, -0.0002203200000000 ] - [ 0.0014329800000000, -0.0003160000000000, 0.0001208500000000 ] - [ -0.0025077800000000, 0.0010239700000000, 0.0007351200000000 ] - [ -0.0031096600000000, 0.0021052700000000, -0.0022044400000000 ] - [ 0.0017139500000000, -0.0002116900000000, -0.0001944500000000 ] - [ -0.0001989600000000, -0.0007460400000000, -0.0002147300000000 ] - [ 0.0000189700000000, 0.0007016200000000, 0.0004453100000000 ] - [ 0.0034073400000000, -0.0019516000000000, 0.0058573300000000 ] - [ 0.0025802400000000, 0.0009390400000000, 0.0044548900000000 ] - [ 0.0023244400000000, -0.0002500400000000, -0.0008304200000000 ] - [ -0.0018505600000000, -0.0007870200000000, 0.0004379400000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032462000000000, -0.0003326500000000, -0.0000648000000000 ] - [ -0.0066378200000000, -0.0020481000000000, -0.0013251700000000 ] - [ -0.0012851300000000, 0.0005738300000000, -0.0014604600000000 ] - [ 0.0014104500000000, 0.0000496200000000, -0.0004292600000000 ] - [ 0.0015657300000000, 0.0007252500000000, -0.0014625800000000 ] - [ -0.0005068800000000, -0.0010046000000000, -0.0006611200000000 ] - [ -0.0016996700000000, 0.0029654100000000, 0.0053571000000000 ] - [ 0.0038810200000000, -0.0007334300000000, 0.0019946500000000 ] - [ -0.0008448700000000, 0.0001371700000000, 0.0003556700000000 ] - [ 0.0010088500000000, -0.0004878200000000, 0.0004440200000000 ] - [ -0.0015470000000000, 0.0015196900000000, -0.0011359600000000 ] - [ 0.0010773500000000, -0.0006458200000000, -0.0002260700000000 ] - [ 0.0002855100000000, 0.0001075800000000, -0.0006312500000000 ] - [ 0.0008504000000000, -0.0004275800000000, -0.0002163100000000 ] - [ 0.0025075300000000, 0.0009346200000000, 0.0013668500000000 ] - [ -0.0007306500000000, -0.0010893500000000, 0.0015568400000000 ] - [ -0.0017678100000000, 0.0008120300000000, 0.0007316200000000 ] - [ 0.0016097000000000, -0.0007736100000000, 0.0010554100000000 ] - [ 0.0008309500000000, 0.0003144700000000, 0.0000895200000000 ] - [ -0.0002793900000000, 0.0002250500000000, -0.0002307500000000 ] - [ -0.0018577200000000, -0.0009489200000000, -0.0002337200000000 ] - [ 0.0013422700000000, 0.0001908700000000, -0.0005684900000000 ] - [ -0.0005881000000000, 0.0006118800000000, 0.0000176500000000 ] - [ 0.0000387700000000, 0.0001906500000000, -0.0005812200000000 ] - [ 0.0002478800000000, -0.0002730100000000, 0.0002079700000000 ] - [ -0.0010195800000000, -0.0002398500000000, -0.0004209700000000 ] - [ -0.0002816600000000, 0.0000302800000000, 0.0005066600000000 ] - [ -0.0009472500000000, 0.0011764400000000, 0.0009979900000000 ] - [ 0.0001691900000000, -0.0001895700000000, -0.0001037100000000 ] - [ -0.0002873100000000, 0.0002247200000000, 0.0002079500000000 ] - [ 0.0031655200000000, -0.0009466300000000, -0.0004878000000000 ] - [ -0.0106060000000000, -0.0023064700000000, 0.0023366400000000 ] - [ -0.0009271500000000, 0.0004352300000000, -0.0012363400000000 ] - [ 0.0001163700000000, -0.0016596400000000, -0.0010740300000000 ] - [ 0.0020394600000000, 0.0007798700000000, 0.0010977600000000 ] - [ -0.0087965600000000, 0.0002727100000000, -0.0003422400000000 ] - [ -0.0094699900000000, -0.0018855500000000, -0.0006650300000000 ] - [ 0.0020885900000000, -0.0006164200000000, 0.0000149600000000 ] - [ -0.0014846400000000, -0.0001840300000000, 0.0002140000000000 ] - [ 0.0008733600000000, 0.0005637200000000, 0.0000753000000000 ] - [ -0.0448878300000000, -0.0314795200000000, 0.0365611500000000 ] - [ 0.0075141300000000, -0.0012714100000000, -0.0002197600000000 ] - [ -0.0011585000000000, 0.0008659400000000, -0.0002583600000000 ] - [ 0.0010579700000000, 0.0006535800000000, 0.0000462000000000 ] - [ 0.0023518600000000, -0.0012548200000000, -0.0018148800000000 ] - [ -0.0024768400000000, 0.0026966900000000, -0.0011233700000000 ] - [ 0.0023811000000000, -0.0006948400000000, 0.0004869200000000 ] - [ -0.0023159400000000, 0.0014198100000000, 0.0022334400000000 ] - [ 0.0994677500000000, 0.0495965100000000, -0.0499274200000000 ] - [ -0.0046794800000000, -0.0001157000000000, -0.0002615900000000 ] - [ -0.0059899900000000, -0.0004474600000000, 0.0092564300000000 ] - [ -0.0063187600000000, 0.0013437800000000, 0.0056383000000000 ] - [ -0.0076147400000000, -0.0142654300000000, -0.0010289000000000 ] - [ -0.0058787600000000, 0.0050542700000000, 0.0005063800000000 ] - [ -0.0018415100000000, -0.0001126200000000, -0.0002483600000000 ] - [ 0.0035572200000000, 0.0003137700000000, 0.0000283000000000 ] - [ 0.0042748200000000, -0.0008686300000000, 0.0011374900000000 ] - [ -0.0022993800000000, 0.0007927500000000, 0.0004212100000000 ] - [ 0.0005052600000000, -0.0007805600000000, 0.0004708900000000 ] - [ -0.0002504600000000, 0.0006483400000000, 0.0009296600000000 ] - [ -0.0002882400000000, -0.0006170100000000, -0.0007439700000000 ] - [ -0.0007820500000000, -0.0004005100000000, -0.0010504500000000 ] - [ 0.0008261700000000, -0.0008320900000000, -0.0005850500000000 ] - [ -0.0007973800000000, -0.0001303200000000, 0.0007668300000000 ] - [ -0.0032707700000000, 0.0007001700000000, -0.0011424000000000 ] - [ 0.0028042500000000, -0.0010050700000000, 0.0001060000000000 ] - [ 0.0008350500000000, -0.0000918400000000, 0.0014231100000000 ] - [ 0.0001678400000000, -0.0002532100000000, 0.0006482500000000 ] - [ -0.0034938300000000, 0.0049500900000000, 0.0003286000000000 ] - [ -0.0035488400000000, -0.0079614200000000, 0.0008875400000000 ] - [ -0.0020957000000000, 0.0006176100000000, 0.0003299000000000 ] - [ 0.0018479600000000, -0.0007156600000000, -0.0011456100000000 ] - [ 0.0024339000000000, -0.0024413200000000, 0.0017182200000000 ] - [ -0.0024030700000000, -0.0001342200000000, 0.0006586400000000 ] - [ 0.0000360300000000, 0.0008385400000000, -0.0004185300000000 ] - [ -0.0001937000000000, -0.0006171000000000, 0.0002040400000000 ] - [ -0.0023468900000000, 0.0015401500000000, -0.0050989000000000 ] - [ -0.0015135500000000, -0.0013498600000000, -0.0051857000000000 ] - [ -0.0022874600000000, -0.0003900200000000, -0.0003785500000000 ] - [ 0.0018824600000000, 0.0001505800000000, 0.0007730400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014881100000000, 0.0010783200000000, 0.0013753600000000 ] - [ 0.0006091400000000, 0.0072483300000000, -0.0002895900000000 ] - [ 0.0001631800000000, 0.0019099500000000, 0.0007160000000000 ] - [ 0.0002849300000000, 0.0007157100000000, 0.0003290200000000 ] - [ -0.0001313500000000, 0.0000257600000000, -0.0000000100000000 ] - [ 0.0009001100000000, 0.0005890700000000, -0.0000314400000000 ] - [ -0.0017517800000000, 0.0064167200000000, -0.0036901700000000 ] - [ 0.0011328200000000, 0.0015415700000000, 0.0007592000000000 ] - [ -0.0000983700000000, 0.0012807100000000, -0.0003875500000000 ] - [ 0.0000052700000000, 0.0005515200000000, 0.0001723500000000 ] - [ 0.0006244700000000, -0.0030934600000000, 0.0002087200000000 ] - [ -0.0000029500000000, -0.0011252200000000, -0.0002481400000000 ] - [ -0.0004677000000000, -0.0016020000000000, 0.0006581100000000 ] - [ 0.0005942900000000, -0.0008539400000000, 0.0002330900000000 ] - [ -0.0013322700000000, -0.0011631000000000, -0.0020264800000000 ] - [ 0.0017760300000000, -0.0025259200000000, 0.0006120200000000 ] - [ 0.0010052000000000, -0.0035090700000000, -0.0015557500000000 ] - [ 0.0002174700000000, -0.0011966200000000, 0.0006888100000000 ] - [ -0.0000819700000000, 0.0000934800000000, 0.0000066600000000 ] - [ 0.0016624000000000, -0.0003364500000000, 0.0009239400000000 ] - [ 0.0010771500000000, -0.0047251300000000, -0.0017889600000000 ] - [ -0.0010812400000000, -0.0008995300000000, 0.0004931500000000 ] - [ -0.0003683000000000, -0.0008905700000000, 0.0012106600000000 ] - [ -0.0003860500000000, -0.0001332700000000, -0.0004511400000000 ] - [ -0.0007146000000000, -0.0006050700000000, 0.0005780400000000 ] - [ 0.0000814900000000, -0.0011239500000000, -0.0006645100000000 ] - [ -0.0003471500000000, -0.0011791600000000, 0.0004581000000000 ] - [ -0.0008110600000000, -0.0016296200000000, -0.0006083800000000 ] - [ -0.0001987400000000, -0.0006808300000000, -0.0000965700000000 ] - [ -0.0001554800000000, -0.0012472000000000, -0.0001150500000000 ] - [ 0.0011459700000000, 0.0015073400000000, -0.0011130800000000 ] - [ 0.0021010600000000, 0.0088505500000000, -0.0010576100000000 ] - [ -0.0013576000000000, 0.0006562400000000, 0.0011879200000000 ] - [ -0.0006666400000000, 0.0003972200000000, -0.0001413100000000 ] - [ -0.0016759500000000, 0.0011454600000000, -0.0003712900000000 ] - [ 0.0007374700000000, 0.0066519300000000, 0.0002493300000000 ] - [ 0.0012958300000000, 0.0088122200000000, 0.0014304400000000 ] - [ 0.0005612700000000, 0.0006639500000000, -0.0000309000000000 ] - [ 0.0005147400000000, 0.0006512000000000, 0.0013562600000000 ] - [ -0.0005187000000000, 0.0003434300000000, -0.0002815900000000 ] - [ 0.0321190700000000, 0.0507671300000000, -0.0420788400000000 ] - [ 0.0005144000000000, 0.0024865700000000, -0.0012856300000000 ] - [ -0.0009342500000000, -0.0018236900000000, -0.0012245500000000 ] - [ -0.0000104700000000, -0.0001854700000000, 0.0006626800000000 ] - [ 0.0009786400000000, -0.0042553800000000, -0.0024231400000000 ] - [ -0.0003283300000000, -0.0079381400000000, 0.0008162500000000 ] - [ 0.0003738600000000, 0.0008772200000000, 0.0005700600000000 ] - [ -0.0005687300000000, 0.0026851200000000, -0.0018803800000000 ] - [ -0.0501685300000000, -0.1082335700000000, 0.0517785800000000 ] - [ 0.0004165200000000, -0.0022515800000000, 0.0005281700000000 ] - [ 0.0007958600000000, -0.0040069800000000, -0.0012347700000000 ] - [ 0.0001653400000000, -0.0030668700000000, -0.0002240400000000 ] - [ 0.0139188200000000, 0.0110078700000000, 0.0001502000000000 ] - [ -0.0048280500000000, 0.0014660000000000, 0.0009875400000000 ] - [ 0.0008729900000000, 0.0000358900000000, -0.0010452400000000 ] - [ 0.0005929200000000, 0.0029813700000000, 0.0061645800000000 ] - [ 0.0006783400000000, 0.0052508800000000, -0.0081358600000000 ] - [ 0.0008684000000000, -0.0002999200000000, 0.0008254700000000 ] - [ 0.0012545700000000, -0.0001406300000000, -0.0006264300000000 ] - [ -0.0003019200000000, -0.0000823100000000, 0.0001668900000000 ] - [ -0.0000131800000000, 0.0019945400000000, 0.0008238800000000 ] - [ -0.0008755500000000, 0.0015256300000000, -0.0002929800000000 ] - [ -0.0005474000000000, 0.0021109200000000, -0.0007016300000000 ] - [ 0.0001700900000000, 0.0004459200000000, 0.0003587200000000 ] - [ 0.0003785400000000, 0.0039055100000000, -0.0006838100000000 ] - [ -0.0013181000000000, 0.0051097000000000, 0.0014935700000000 ] - [ 0.0009227400000000, 0.0028903600000000, 0.0008890800000000 ] - [ 0.0014805000000000, 0.0025682400000000, -0.0012792700000000 ] - [ -0.0067419400000000, 0.0047609100000000, 0.0009206000000000 ] - [ 0.0061281500000000, 0.0062706900000000, -0.0000712900000000 ] - [ -0.0002178700000000, 0.0003197000000000, -0.0005532400000000 ] - [ 0.0003716900000000, 0.0023000900000000, 0.0043100800000000 ] - [ 0.0008685000000000, 0.0056500800000000, -0.0064000900000000 ] - [ -0.0002043600000000, -0.0000504500000000, 0.0012026900000000 ] - [ -0.0003710900000000, 0.0003165200000000, -0.0005948900000000 ] - [ 0.0006529800000000, 0.0001826000000000, 0.0002978900000000 ] - [ -0.0011719600000000, -0.0025300700000000, -0.0012614000000000 ] - [ 0.0015599100000000, -0.0023191300000000, 0.0008364300000000 ] - [ 0.0001062600000000, -0.0010978600000000, -0.0009737600000000 ] - [ -0.0004416200000000, -0.0022379600000000, 0.0004902200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019687700000000, -0.0016110500000000, -0.0010570400000000 ] - [ -0.0003550000000000, -0.0074740700000000, 0.0002390300000000 ] - [ 0.0004603600000000, -0.0013512800000000, -0.0015263300000000 ] - [ 0.0003373400000000, -0.0001678700000000, 0.0004730200000000 ] - [ 0.0008656000000000, -0.0006204000000000, -0.0006774400000000 ] - [ -0.0001380400000000, -0.0011969800000000, 0.0006760500000000 ] - [ 0.0030639900000000, -0.0057945700000000, 0.0034227400000000 ] - [ 0.0001062100000000, -0.0010224600000000, -0.0004262000000000 ] - [ 0.0002543800000000, -0.0014498900000000, 0.0000998900000000 ] - [ 0.0001539100000000, -0.0007282600000000, 0.0001382900000000 ] - [ -0.0004563700000000, 0.0032818200000000, -0.0005117300000000 ] - [ 0.0001604100000000, 0.0013216500000000, 0.0005502900000000 ] - [ 0.0017042600000000, 0.0011016300000000, -0.0009793500000000 ] - [ 0.0006347500000000, 0.0003569800000000, 0.0000907500000000 ] - [ 0.0020684200000000, 0.0017768400000000, 0.0013570600000000 ] - [ -0.0010093600000000, 0.0031247400000000, 0.0000636000000000 ] - [ -0.0003870200000000, 0.0029414600000000, 0.0007383000000000 ] - [ 0.0003988300000000, 0.0006478500000000, 0.0001061800000000 ] - [ 0.0005531600000000, 0.0004482400000000, 0.0002979300000000 ] - [ -0.0011822100000000, 0.0008942700000000, -0.0012103700000000 ] - [ -0.0015651200000000, 0.0042083700000000, 0.0021193300000000 ] - [ 0.0006184700000000, 0.0003503100000000, -0.0008054700000000 ] - [ -0.0002523200000000, 0.0014362000000000, -0.0004095800000000 ] - [ -0.0002444100000000, 0.0006867400000000, -0.0003482400000000 ] - [ -0.0000237500000000, -0.0000105200000000, 0.0000817700000000 ] - [ -0.0008261800000000, 0.0004958800000000, 0.0000138400000000 ] - [ -0.0008999900000000, 0.0016866900000000, -0.0007851000000000 ] - [ -0.0004181400000000, 0.0021520700000000, 0.0009617300000000 ] - [ 0.0000258200000000, 0.0004996400000000, -0.0002137700000000 ] - [ 0.0000067700000000, 0.0010605600000000, 0.0004110400000000 ] - [ -0.0012955700000000, -0.0013372400000000, 0.0008137300000000 ] - [ -0.0025123600000000, -0.0087794100000000, 0.0015521700000000 ] - [ 0.0001270500000000, -0.0011668600000000, -0.0008634600000000 ] - [ -0.0005535700000000, -0.0009205900000000, -0.0001773800000000 ] - [ 0.0009213800000000, -0.0005429400000000, 0.0010277400000000 ] - [ -0.0012053300000000, -0.0064135700000000, -0.0006448600000000 ] - [ -0.0021679300000000, -0.0095702700000000, -0.0009173100000000 ] - [ -0.0011915200000000, -0.0012278600000000, -0.0007880600000000 ] - [ -0.0009946000000000, -0.0001148100000000, -0.0010522400000000 ] - [ 0.0000264900000000, 0.0001959900000000, 0.0000003600000000 ] - [ -0.0307707400000000, -0.0513026200000000, 0.0398673800000000 ] - [ -0.0005131200000000, -0.0037037300000000, 0.0017767000000000 ] - [ 0.0009472100000000, 0.0030448400000000, 0.0007122100000000 ] - [ 0.0000225200000000, 0.0014204700000000, -0.0001473800000000 ] - [ -0.0009955300000000, 0.0030274200000000, 0.0019084300000000 ] - [ 0.0003229300000000, 0.0067360200000000, -0.0003404400000000 ] - [ -0.0003916600000000, 0.0003254100000000, -0.0010727600000000 ] - [ 0.0005541300000000, -0.0014805100000000, 0.0023851800000000 ] - [ 0.0490837100000000, 0.1083119500000000, -0.0516581700000000 ] - [ -0.0004439300000000, 0.0029249400000000, 0.0006236400000000 ] - [ -0.0018082000000000, 0.0043262300000000, 0.0019451100000000 ] - [ -0.0011132000000000, 0.0033939500000000, -0.0005003400000000 ] - [ -0.0134710000000000, -0.0110561000000000, -0.0007688500000000 ] - [ 0.0050528300000000, -0.0016105100000000, -0.0003338300000000 ] - [ -0.0002273800000000, 0.0002275300000000, 0.0005912700000000 ] - [ 0.0000050600000000, -0.0027722700000000, -0.0057565500000000 ] - [ -0.0000774600000000, -0.0054264300000000, 0.0084044200000000 ] - [ -0.0002654400000000, 0.0000744000000000, -0.0012212200000000 ] - [ -0.0009835500000000, 0.0002634500000000, 0.0000154900000000 ] - [ 0.0005238500000000, 0.0002686600000000, 0.0005428400000000 ] - [ -0.0009465500000000, -0.0023127300000000, -0.0001544800000000 ] - [ -0.0001430700000000, -0.0019020600000000, -0.0004559800000000 ] - [ 0.0005022900000000, -0.0027714500000000, -0.0004079100000000 ] - [ -0.0001577400000000, -0.0011685700000000, 0.0008191900000000 ] - [ -0.0003019700000000, -0.0032911300000000, -0.0003833900000000 ] - [ 0.0013232200000000, -0.0044253400000000, -0.0003211700000000 ] - [ 0.0000033700000000, -0.0025928000000000, -0.0002605500000000 ] - [ -0.0004920800000000, -0.0022379200000000, 0.0005662400000000 ] - [ 0.0065046300000000, -0.0048618900000000, -0.0015215200000000 ] - [ -0.0064216800000000, -0.0064501200000000, 0.0007440300000000 ] - [ -0.0004025900000000, -0.0000638800000000, 0.0009694100000000 ] - [ -0.0010023800000000, -0.0020444200000000, -0.0047767800000000 ] - [ -0.0014866600000000, -0.0059105300000000, 0.0060326400000000 ] - [ -0.0003910100000000, -0.0001206400000000, -0.0008467000000000 ] - [ 0.0001258200000000, -0.0001465800000000, -0.0000759200000000 ] - [ -0.0008914100000000, -0.0000183900000000, 0.0003752500000000 ] - [ 0.0021495600000000, 0.0022064500000000, 0.0019304900000000 ] - [ -0.0005493700000000, 0.0019927700000000, -0.0015496000000000 ] - [ -0.0001025300000000, 0.0004143100000000, -0.0001838000000000 ] - [ 0.0004515100000000, 0.0015447700000000, 0.0006865300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017935500000000, 0.0004043100000000, 0.0015432600000000 ] - [ 0.0014390800000000, -0.0021156600000000, 0.0059625200000000 ] - [ 0.0000204200000000, 0.0001205500000000, -0.0034121000000000 ] - [ 0.0006455800000000, -0.0001658900000000, -0.0006943600000000 ] - [ 0.0014083600000000, 0.0006754800000000, -0.0023481100000000 ] - [ 0.0008073500000000, -0.0005411100000000, -0.0019288300000000 ] - [ -0.0053214600000000, -0.0039565600000000, 0.0013137600000000 ] - [ -0.0007337100000000, 0.0008440300000000, 0.0009932400000000 ] - [ -0.0003312900000000, -0.0004101000000000, -0.0029373900000000 ] - [ -0.0002337900000000, 0.0001790700000000, -0.0007914900000000 ] - [ 0.0005162900000000, 0.0015815600000000, 0.0012550000000000 ] - [ 0.0003784000000000, 0.0000035800000000, 0.0006191600000000 ] - [ 0.0017796700000000, 0.0008985300000000, -0.0017248000000000 ] - [ 0.0009164400000000, -0.0003935100000000, -0.0004193000000000 ] - [ 0.0006364800000000, 0.0003119400000000, 0.0005967900000000 ] - [ -0.0009623700000000, 0.0014732100000000, 0.0020318300000000 ] - [ -0.0006505200000000, -0.0010523900000000, 0.0009806500000000 ] - [ 0.0004314300000000, -0.0002295600000000, 0.0008833800000000 ] - [ 0.0001742000000000, 0.0001544400000000, -0.0004175100000000 ] - [ -0.0010915100000000, 0.0008820500000000, -0.0021333700000000 ] - [ 0.0001607600000000, -0.0016387900000000, 0.0012102700000000 ] - [ 0.0000549000000000, -0.0000158000000000, 0.0003252300000000 ] - [ 0.0001084600000000, 0.0005931300000000, -0.0007762000000000 ] - [ -0.0003414200000000, 0.0003360800000000, -0.0008960500000000 ] - [ -0.0003476800000000, -0.0001926500000000, -0.0003113700000000 ] - [ 0.0000369500000000, -0.0005350900000000, -0.0012933500000000 ] - [ -0.0009263000000000, 0.0005822800000000, 0.0004274300000000 ] - [ -0.0010265800000000, -0.0000596600000000, 0.0010891900000000 ] - [ -0.0002431500000000, 0.0001040500000000, -0.0006136000000000 ] - [ -0.0002962400000000, -0.0003384400000000, -0.0006431800000000 ] - [ 0.0013918400000000, -0.0010964700000000, 0.0016490000000000 ] - [ -0.0033458800000000, -0.0020847900000000, 0.0092655500000000 ] - [ -0.0000598800000000, 0.0002848200000000, -0.0021089500000000 ] - [ 0.0002190900000000, -0.0019999400000000, -0.0018830500000000 ] - [ -0.0007111000000000, -0.0001072600000000, 0.0014148000000000 ] - [ -0.0013561500000000, 0.0013431300000000, 0.0063943600000000 ] - [ 0.0025446300000000, 0.0027947200000000, 0.0117987400000000 ] - [ -0.0011079100000000, 0.0002380700000000, 0.0006824100000000 ] - [ -0.0003806200000000, 0.0006105200000000, -0.0019924100000000 ] - [ -0.0006296900000000, -0.0000667800000000, -0.0009229500000000 ] - [ -0.0336972500000000, -0.0378711100000000, 0.0648942500000000 ] - [ 0.0028238300000000, -0.0024588300000000, 0.0036139600000000 ] - [ -0.0023248500000000, -0.0010341100000000, -0.0040347800000000 ] - [ -0.0000262900000000, 0.0008264100000000, -0.0012448600000000 ] - [ 0.0002351600000000, -0.0005171800000000, 0.0010881400000000 ] - [ 0.0015628700000000, 0.0022860500000000, 0.0035197900000000 ] - [ -0.0019145500000000, 0.0022182800000000, -0.0036983300000000 ] - [ -0.0001840600000000, 0.0001122100000000, -0.0046455100000000 ] - [ 0.0488455800000000, 0.0511610400000000, -0.1181437500000000 ] - [ -0.0009333100000000, 0.0003619500000000, -0.0018304000000000 ] - [ -0.0097159000000000, -0.0005693000000000, 0.0072233700000000 ] - [ -0.0075593300000000, 0.0013487500000000, 0.0029402400000000 ] - [ -0.0016248400000000, -0.0022874900000000, -0.0073407500000000 ] - [ 0.0001607500000000, 0.0003243400000000, -0.0026861000000000 ] - [ -0.0006254000000000, -0.0008165500000000, 0.0002495500000000 ] - [ 0.0018797200000000, 0.0072577000000000, 0.0067783700000000 ] - [ -0.0005178800000000, -0.0087658500000000, 0.0060483400000000 ] - [ -0.0002861100000000, 0.0009247900000000, -0.0004833800000000 ] - [ 0.0006249500000000, -0.0005859700000000, 0.0031444400000000 ] - [ 0.0000225100000000, 0.0003223000000000, 0.0021663700000000 ] - [ 0.0006506300000000, 0.0000873200000000, 0.0002850200000000 ] - [ 0.0003746300000000, -0.0005334200000000, -0.0001429600000000 ] - [ -0.0000841300000000, -0.0001719900000000, 0.0024773500000000 ] - [ 0.0001032300000000, -0.0005299500000000, 0.0015395000000000 ] - [ -0.0004230100000000, 0.0001917400000000, -0.0014949900000000 ] - [ 0.0005862200000000, -0.0006049700000000, -0.0018289400000000 ] - [ -0.0003637800000000, -0.0006088800000000, 0.0000725100000000 ] - [ -0.0005905800000000, -0.0003589000000000, -0.0004004500000000 ] - [ 0.0000576800000000, -0.0001463800000000, -0.0032461300000000 ] - [ -0.0009426600000000, -0.0005622000000000, -0.0030472500000000 ] - [ 0.0001521100000000, -0.0009763400000000, 0.0003443400000000 ] - [ 0.0006348800000000, 0.0027892100000000, 0.0025288500000000 ] - [ -0.0018444200000000, -0.0074933300000000, 0.0034506500000000 ] - [ -0.0005267100000000, 0.0007234500000000, -0.0001985900000000 ] - [ -0.0002313500000000, -0.0004473800000000, 0.0018328300000000 ] - [ 0.0000715600000000, 0.0004798900000000, 0.0026286700000000 ] - [ 0.0067896600000000, -0.0021747900000000, 0.0061444700000000 ] - [ 0.0033105000000000, 0.0009794500000000, 0.0027135700000000 ] - [ 0.0002775900000000, 0.0000991500000000, 0.0024437800000000 ] - [ -0.0001143300000000, -0.0003942300000000, 0.0041506400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013289900000000, -0.0009591500000000, -0.0012266400000000 ] - [ -0.0010809300000000, 0.0017288600000000, -0.0061311700000000 ] - [ 0.0006294500000000, 0.0004497400000000, 0.0026164900000000 ] - [ -0.0000170500000000, 0.0007192900000000, 0.0015094900000000 ] - [ -0.0006950800000000, -0.0012863800000000, 0.0016620100000000 ] - [ -0.0000636300000000, -0.0000764000000000, 0.0025823100000000 ] - [ 0.0066790000000000, 0.0045827800000000, -0.0015157700000000 ] - [ 0.0019647600000000, -0.0003340400000000, -0.0006660100000000 ] - [ 0.0004869000000000, 0.0002502800000000, 0.0026494400000000 ] - [ 0.0003833900000000, -0.0003512200000000, 0.0010870300000000 ] - [ -0.0003604200000000, -0.0014102200000000, -0.0015680000000000 ] - [ -0.0002395400000000, 0.0001786700000000, -0.0003304700000000 ] - [ -0.0005550600000000, -0.0014188800000000, 0.0013820400000000 ] - [ 0.0002893400000000, -0.0001292800000000, 0.0007738400000000 ] - [ 0.0000924500000000, 0.0002964300000000, -0.0012575600000000 ] - [ 0.0017041900000000, -0.0008713200000000, -0.0013706200000000 ] - [ 0.0012905100000000, 0.0004946300000000, -0.0017787700000000 ] - [ 0.0002123100000000, -0.0003405300000000, -0.0000843100000000 ] - [ 0.0002964300000000, 0.0003972100000000, 0.0007410500000000 ] - [ 0.0015701100000000, -0.0003347800000000, 0.0018315800000000 ] - [ -0.0006241100000000, 0.0010854400000000, -0.0009028800000000 ] - [ -0.0005168300000000, -0.0005441100000000, -0.0006339400000000 ] - [ -0.0007436200000000, -0.0000349500000000, 0.0015935100000000 ] - [ -0.0002969100000000, 0.0002314600000000, 0.0000823800000000 ] - [ -0.0003898500000000, -0.0004112100000000, 0.0010024300000000 ] - [ -0.0007705300000000, -0.0000820400000000, 0.0006276900000000 ] - [ -0.0003158200000000, -0.0000675400000000, -0.0007628500000000 ] - [ -0.0001810000000000, 0.0005826600000000, -0.0007355800000000 ] - [ 0.0000757900000000, -0.0002789500000000, 0.0003210300000000 ] - [ 0.0001555900000000, 0.0001688200000000, 0.0009282800000000 ] - [ -0.0015330400000000, 0.0012802900000000, -0.0019515700000000 ] - [ 0.0028759000000000, 0.0020408000000000, -0.0088070800000000 ] - [ -0.0011739000000000, -0.0007828600000000, 0.0024554800000000 ] - [ -0.0014262100000000, 0.0014910800000000, 0.0015562100000000 ] - [ -0.0000469700000000, 0.0007244800000000, -0.0007652400000000 ] - [ 0.0007735700000000, -0.0009380300000000, -0.0069783400000000 ] - [ -0.0034597800000000, -0.0036684300000000, -0.0113134500000000 ] - [ 0.0004666200000000, -0.0008056300000000, -0.0015020600000000 ] - [ -0.0000761900000000, -0.0000519300000000, 0.0023189400000000 ] - [ 0.0001400600000000, 0.0006308600000000, 0.0006330900000000 ] - [ 0.0356171600000000, 0.0387495500000000, -0.0670910400000000 ] - [ -0.0028568800000000, 0.0011867100000000, -0.0030869500000000 ] - [ 0.0023194800000000, 0.0022836600000000, 0.0035324900000000 ] - [ 0.0000147500000000, 0.0004279200000000, 0.0017442600000000 ] - [ -0.0002156600000000, -0.0007276400000000, -0.0016302900000000 ] - [ -0.0015557200000000, -0.0035414100000000, -0.0030016900000000 ] - [ 0.0019098700000000, -0.0009790400000000, 0.0031990800000000 ] - [ 0.0001784400000000, 0.0011297600000000, 0.0051809000000000 ] - [ -0.0504290600000000, -0.0522559100000000, 0.1185022300000000 ] - [ 0.0008959500000000, 0.0002973800000000, 0.0030022300000000 ] - [ 0.0088323100000000, 0.0008806500000000, -0.0066322400000000 ] - [ 0.0065539300000000, -0.0010540100000000, -0.0036005700000000 ] - [ 0.0018242500000000, 0.0020776400000000, 0.0067313000000000 ] - [ 0.0001258700000000, -0.0004475800000000, 0.0033162100000000 ] - [ 0.0013144500000000, 0.0011476600000000, -0.0006984300000000 ] - [ -0.0012658300000000, -0.0069912400000000, -0.0064074400000000 ] - [ 0.0011736800000000, 0.0086281000000000, -0.0057375200000000 ] - [ 0.0009116000000000, -0.0011457400000000, 0.0000883000000000 ] - [ -0.0003889700000000, 0.0007238200000000, -0.0037557900000000 ] - [ 0.0001592200000000, -0.0001106300000000, -0.0014546800000000 ] - [ -0.0016252300000000, -0.0003734200000000, 0.0003341100000000 ] - [ -0.0014430300000000, 0.0001979400000000, -0.0005808500000000 ] - [ 0.0000346200000000, -0.0004634400000000, -0.0036123100000000 ] - [ -0.0000678900000000, -0.0002046800000000, -0.0002866200000000 ] - [ 0.0005104900000000, 0.0004121800000000, 0.0004062900000000 ] - [ -0.0006298800000000, 0.0013455600000000, 0.0030875200000000 ] - [ 0.0013253500000000, 0.0008880000000000, 0.0005470100000000 ] - [ 0.0016517700000000, 0.0006931300000000, -0.0003738200000000 ] - [ -0.0003404800000000, 0.0000445600000000, 0.0026617300000000 ] - [ 0.0007832700000000, 0.0003725800000000, 0.0037559200000000 ] - [ -0.0007930800000000, 0.0012445200000000, 0.0000322500000000 ] - [ -0.0012969100000000, -0.0025454500000000, -0.0029737700000000 ] - [ 0.0011688200000000, 0.0071292100000000, -0.0039060300000000 ] - [ -0.0001126800000000, -0.0009533900000000, 0.0005622200000000 ] - [ 0.0000060500000000, 0.0006135500000000, -0.0024693500000000 ] - [ -0.0002833000000000, -0.0003221000000000, -0.0019728100000000 ] - [ -0.0057307700000000, 0.0018615500000000, -0.0054571400000000 ] - [ -0.0023090900000000, -0.0012968200000000, -0.0034343200000000 ] - [ -0.0002776600000000, -0.0007848800000000, -0.0036438400000000 ] - [ 0.0001198900000000, -0.0002941800000000, -0.0029485400000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041942500000000, -0.0040429900000000, -0.0032422500000000 ] - [ -0.0012306700000000, 0.0009204500000000, 0.0009306700000000 ] - [ 0.0097003100000000, -0.0017701100000000, -0.0005976000000000 ] - [ -0.0003532400000000, -0.0001787800000000, 0.0009094200000000 ] - [ 0.0076856700000000, -0.0006289600000000, 0.0004765700000000 ] - [ -0.0005035400000000, 0.0000715000000000, 0.0000927200000000 ] - [ 0.0021351700000000, 0.0003567100000000, 0.0009606800000000 ] - [ -0.0024043800000000, 0.0002449100000000, -0.0001285900000000 ] - [ 0.0010935600000000, -0.0000609400000000, -0.0005270400000000 ] - [ -0.0025504400000000, 0.0000889900000000, 0.0007511400000000 ] - [ 0.0018438400000000, 0.0017885900000000, 0.0008111200000000 ] - [ -0.0002874900000000, -0.0000072400000000, 0.0000999200000000 ] - [ 0.0032028300000000, 0.0009394200000000, -0.0013373900000000 ] - [ 0.0002378100000000, -0.0004020700000000, 0.0003432500000000 ] - [ 0.0012953900000000, 0.0003740600000000, -0.0002753900000000 ] - [ -0.0021327900000000, 0.0013324400000000, 0.0017630400000000 ] - [ 0.0003355700000000, 0.0001794500000000, 0.0001046700000000 ] - [ -0.0005209100000000, -0.0009818800000000, -0.0004715100000000 ] - [ 0.0007810400000000, 0.0000378700000000, 0.0005073300000000 ] - [ -0.0021132000000000, 0.0010536700000000, -0.0022770100000000 ] - [ 0.0007205000000000, -0.0009741100000000, 0.0005493700000000 ] - [ -0.0008027700000000, -0.0000257700000000, -0.0002296000000000 ] - [ -0.0005593600000000, 0.0002311300000000, 0.0003839700000000 ] - [ 0.0002384000000000, 0.0008783200000000, 0.0000906000000000 ] - [ -0.0009560600000000, -0.0002248900000000, 0.0004337000000000 ] - [ 0.0006656200000000, -0.0004773800000000, -0.0007473300000000 ] - [ -0.0002328700000000, 0.0005487900000000, -0.0002450600000000 ] - [ -0.0015676600000000, 0.0001315600000000, 0.0002958900000000 ] - [ 0.0002776300000000, 0.0001708700000000, 0.0000215300000000 ] - [ -0.0008287800000000, -0.0002269100000000, -0.0001740000000000 ] - [ 0.0115999800000000, -0.0052574700000000, 0.0049316800000000 ] - [ -0.0019850600000000, -0.0008832700000000, 0.0009475300000000 ] - [ -0.0015026200000000, -0.0003285500000000, 0.0000258800000000 ] - [ 0.0082979600000000, -0.0040530700000000, -0.0027483900000000 ] - [ -0.0025592400000000, 0.0009497500000000, 0.0000490800000000 ] - [ 0.0011848200000000, -0.0009018100000000, 0.0004359200000000 ] - [ -0.0027521100000000, -0.0016453500000000, 0.0003415200000000 ] - [ 0.0003787000000000, 0.0002338300000000, -0.0012829400000000 ] - [ 0.0006280300000000, -0.0001053900000000, -0.0000090500000000 ] - [ -0.0021456200000000, 0.0008512500000000, 0.0002683100000000 ] - [ 0.0576775900000000, -0.0241432800000000, -0.0360701500000000 ] - [ -0.0028942800000000, -0.0030771000000000, -0.0016094500000000 ] - [ 0.0009756400000000, 0.0007506100000000, -0.0003851800000000 ] - [ -0.0032019100000000, -0.0020503200000000, 0.0028110400000000 ] - [ 0.0024286800000000, 0.0018058800000000, -0.0021436100000000 ] - [ -0.0010397600000000, -0.0007443700000000, 0.0005902600000000 ] - [ 0.0023729700000000, 0.0022429100000000, 0.0021921600000000 ] - [ -0.0044367000000000, -0.0006234100000000, -0.0008340600000000 ] - [ 0.0053846900000000, 0.0016144700000000, -0.0098113600000000 ] - [ 0.0057230300000000, 0.0009522200000000, 0.0076455200000000 ] - [ -0.1201202100000000, 0.0549182000000000, 0.0435307200000000 ] - [ 0.0022178400000000, 0.0000471000000000, -0.0001726800000000 ] - [ -0.0062139700000000, -0.0024306500000000, -0.0029922000000000 ] - [ 0.0030130400000000, 0.0005171300000000, 0.0001621900000000 ] - [ 0.0085629000000000, 0.0083939100000000, -0.0027741000000000 ] - [ 0.0001761000000000, -0.0005962100000000, -0.0006339400000000 ] - [ 0.0104858100000000, -0.0170084400000000, 0.0013897400000000 ] - [ 0.0004195800000000, 0.0005363000000000, -0.0001239100000000 ] - [ -0.0034718100000000, 0.0003337000000000, 0.0000730900000000 ] - [ 0.0025429400000000, 0.0000508900000000, -0.0004101900000000 ] - [ -0.0013498500000000, -0.0006565900000000, 0.0001274200000000 ] - [ 0.0037253300000000, 0.0005132900000000, 0.0002828100000000 ] - [ -0.0002904600000000, -0.0007888400000000, 0.0005555600000000 ] - [ 0.0002069000000000, 0.0000628100000000, -0.0002883500000000 ] - [ -0.0002132600000000, -0.0001143200000000, 0.0002740800000000 ] - [ 0.0004535100000000, -0.0006720400000000, -0.0004943600000000 ] - [ -0.0022569100000000, -0.0011081700000000, 0.0002197600000000 ] - [ 0.0013937300000000, 0.0003872400000000, -0.0005847800000000 ] - [ -0.0029347500000000, -0.0007045500000000, 0.0005588200000000 ] - [ 0.0018003600000000, 0.0001083100000000, 0.0003503900000000 ] - [ -0.0004543700000000, -0.0006021000000000, -0.0001678900000000 ] - [ 0.0017682300000000, 0.0022440100000000, 0.0006387600000000 ] - [ -0.0001800600000000, 0.0006376200000000, -0.0005986200000000 ] - [ 0.0021253700000000, -0.0071459400000000, 0.0011509800000000 ] - [ -0.0023094500000000, -0.0009498500000000, -0.0010717200000000 ] - [ 0.0016976600000000, 0.0003475600000000, 0.0007156300000000 ] - [ -0.0015612900000000, 0.0002788600000000, -0.0005290400000000 ] - [ 0.0042375800000000, -0.0003120300000000, -0.0003415000000000 ] - [ 0.0029269400000000, -0.0019669200000000, -0.0068735800000000 ] - [ 0.0021043500000000, 0.0007455100000000, 0.0034094000000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0035117200000000, 0.0037044200000000, 0.0037137900000000 ] - [ 0.0017010300000000, -0.0014527600000000, -0.0012269200000000 ] - [ -0.0093993600000000, 0.0025231200000000, -0.0005199500000000 ] - [ 0.0009897300000000, 0.0007410300000000, -0.0001095100000000 ] - [ -0.0067815300000000, 0.0001999300000000, -0.0013852200000000 ] - [ 0.0012342900000000, -0.0006706900000000, 0.0005737600000000 ] - [ -0.0008904600000000, 0.0001521500000000, -0.0012846300000000 ] - [ 0.0036446900000000, 0.0002689000000000, 0.0004529700000000 ] - [ -0.0009310000000000, -0.0001124300000000, 0.0002224200000000 ] - [ 0.0027145100000000, -0.0002698300000000, -0.0004386800000000 ] - [ -0.0016752200000000, -0.0016065000000000, -0.0011297600000000 ] - [ 0.0004645400000000, 0.0001830300000000, 0.0002021800000000 ] - [ -0.0019681400000000, -0.0014513900000000, 0.0010030800000000 ] - [ 0.0010119700000000, -0.0001170600000000, -0.0000088100000000 ] - [ -0.0005564700000000, 0.0002268300000000, -0.0003809800000000 ] - [ 0.0028662900000000, -0.0007299400000000, -0.0011058400000000 ] - [ 0.0002928400000000, -0.0007419200000000, -0.0008980500000000 ] - [ 0.0011573000000000, 0.0004171600000000, 0.0012633000000000 ] - [ -0.0003115600000000, 0.0004914400000000, -0.0002048700000000 ] - [ 0.0025852900000000, -0.0005290700000000, 0.0019814200000000 ] - [ -0.0011934500000000, 0.0004458700000000, -0.0002514000000000 ] - [ 0.0003366400000000, -0.0004977500000000, -0.0000640500000000 ] - [ -0.0000789000000000, 0.0003329400000000, 0.0004147300000000 ] - [ -0.0008695900000000, -0.0003162900000000, -0.0008837200000000 ] - [ 0.0002151400000000, -0.0003736000000000, 0.0002184600000000 ] - [ -0.0014050300000000, -0.0001250500000000, 0.0000785500000000 ] - [ -0.0010148700000000, -0.0000296000000000, -0.0000844900000000 ] - [ 0.0003172800000000, 0.0003876900000000, 0.0000338500000000 ] - [ -0.0004478500000000, -0.0003432600000000, -0.0003258800000000 ] - [ 0.0006554400000000, 0.0000533300000000, 0.0004820800000000 ] - [ -0.0116690900000000, 0.0051346500000000, -0.0049527600000000 ] - [ 0.0018109300000000, 0.0010631000000000, -0.0006452600000000 ] - [ 0.0002515300000000, -0.0001881400000000, 0.0003071400000000 ] - [ -0.0095479000000000, 0.0033808600000000, 0.0022966200000000 ] - [ 0.0018206100000000, -0.0003446800000000, 0.0006099800000000 ] - [ -0.0019272400000000, 0.0015131400000000, -0.0010953200000000 ] - [ 0.0021348200000000, 0.0010957400000000, 0.0004420000000000 ] - [ -0.0010092600000000, -0.0007977200000000, 0.0004920000000000 ] - [ -0.0010961800000000, 0.0006321400000000, 0.0003109700000000 ] - [ 0.0016780600000000, -0.0003104500000000, -0.0005648800000000 ] - [ -0.0592286500000000, 0.0243469600000000, 0.0377128100000000 ] - [ 0.0029166400000000, 0.0018494800000000, 0.0021197700000000 ] - [ -0.0009791500000000, 0.0004821500000000, -0.0001288800000000 ] - [ 0.0032225700000000, 0.0032669200000000, -0.0022946900000000 ] - [ -0.0024364700000000, -0.0030306400000000, 0.0016221500000000 ] - [ 0.0010200600000000, -0.0004756000000000, -0.0000779500000000 ] - [ -0.0023716400000000, -0.0010027800000000, -0.0027096400000000 ] - [ 0.0044318500000000, 0.0018598900000000, 0.0013653500000000 ] - [ -0.0054696100000000, -0.0009863500000000, 0.0087780900000000 ] - [ -0.0057543900000000, -0.0003063600000000, -0.0064406100000000 ] - [ 0.1206165000000000, -0.0563217700000000, -0.0448620600000000 ] - [ -0.0032210200000000, 0.0002932800000000, -0.0005090200000000 ] - [ 0.0064800900000000, 0.0022959300000000, 0.0023280500000000 ] - [ -0.0027833600000000, -0.0006263200000000, 0.0004824300000000 ] - [ -0.0079239200000000, -0.0080790600000000, 0.0023690000000000 ] - [ 0.0004429200000000, 0.0008359800000000, 0.0010143900000000 ] - [ -0.0099627800000000, 0.0170017600000000, -0.0010345700000000 ] - [ 0.0001820000000000, -0.0007807500000000, -0.0002682100000000 ] - [ 0.0037309300000000, -0.0002720500000000, -0.0006554300000000 ] - [ -0.0023122800000000, 0.0000604900000000, 0.0010407500000000 ] - [ 0.0003584100000000, 0.0003186400000000, 0.0005336500000000 ] - [ -0.0047282100000000, -0.0008432400000000, -0.0009555700000000 ] - [ 0.0002485300000000, 0.0001486500000000, -0.0017061800000000 ] - [ -0.0002581400000000, -0.0007060800000000, 0.0014368500000000 ] - [ 0.0002368000000000, 0.0007695800000000, -0.0014396000000000 ] - [ -0.0004079100000000, 0.0013216900000000, 0.0016638400000000 ] - [ 0.0032765500000000, 0.0014563600000000, 0.0004720400000000 ] - [ -0.0003850400000000, -0.0000483600000000, -0.0001023000000000 ] - [ 0.0027057100000000, 0.0005954700000000, -0.0012157900000000 ] - [ -0.0020295800000000, -0.0002288400000000, 0.0002921800000000 ] - [ -0.0001567400000000, 0.0008265700000000, 0.0005449500000000 ] - [ -0.0023824100000000, -0.0020111300000000, -0.0010408800000000 ] - [ -0.0004271400000000, -0.0008965600000000, 0.0002001900000000 ] - [ -0.0027591300000000, 0.0068489500000000, -0.0007447000000000 ] - [ 0.0020619000000000, 0.0010559700000000, 0.0004667300000000 ] - [ -0.0019320300000000, -0.0002378000000000, -0.0000763100000000 ] - [ 0.0025491400000000, -0.0006085700000000, 0.0011934700000000 ] - [ -0.0032314300000000, -0.0000366300000000, -0.0003463300000000 ] - [ -0.0028815000000000, 0.0013205200000000, 0.0056997600000000 ] - [ -0.0020561700000000, -0.0013956900000000, -0.0022660700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023706700000000, 0.0059129600000000, -0.0012567700000000 ] - [ 0.0007304800000000, 0.0003439500000000, -0.0004691200000000 ] - [ -0.0008852100000000, 0.0096030500000000, -0.0005042600000000 ] - [ 0.0004739500000000, 0.0009962100000000, 0.0003291900000000 ] - [ 0.0005868300000000, 0.0086234900000000, -0.0005131300000000 ] - [ 0.0004629100000000, 0.0004535600000000, 0.0003599200000000 ] - [ 0.0009727200000000, 0.0022186100000000, -0.0010829100000000 ] - [ 0.0007046300000000, 0.0015607000000000, -0.0002814500000000 ] - [ 0.0002973600000000, 0.0014350300000000, -0.0001235200000000 ] - [ 0.0001907600000000, 0.0014113900000000, 0.0006551800000000 ] - [ 0.0000430600000000, -0.0032187000000000, -0.0005721500000000 ] - [ 0.0002306000000000, -0.0002810000000000, 0.0001518500000000 ] - [ 0.0007854500000000, -0.0044314200000000, 0.0014037400000000 ] - [ 0.0007013400000000, -0.0005183000000000, 0.0003133400000000 ] - [ -0.0013300300000000, -0.0008208200000000, -0.0011568300000000 ] - [ 0.0017491900000000, -0.0007413300000000, -0.0011150800000000 ] - [ 0.0013461100000000, -0.0015692100000000, -0.0011428200000000 ] - [ 0.0002034400000000, -0.0012965700000000, -0.0002573900000000 ] - [ -0.0005055700000000, -0.0000159700000000, 0.0004709900000000 ] - [ 0.0014961700000000, -0.0004672700000000, 0.0016430500000000 ] - [ -0.0014855100000000, -0.0031560200000000, 0.0011453900000000 ] - [ 0.0001512800000000, -0.0005466300000000, 0.0000370600000000 ] - [ -0.0001830800000000, -0.0002390000000000, 0.0003517300000000 ] - [ -0.0001896800000000, -0.0016099600000000, -0.0010220300000000 ] - [ -0.0002485400000000, -0.0007997700000000, 0.0002510300000000 ] - [ -0.0011093800000000, -0.0027756400000000, -0.0011501200000000 ] - [ -0.0007293300000000, -0.0009160100000000, 0.0004203900000000 ] - [ -0.0006695800000000, -0.0008580600000000, 0.0005769900000000 ] - [ -0.0000512300000000, -0.0012085800000000, -0.0004358600000000 ] - [ -0.0001536600000000, -0.0013734700000000, -0.0001746300000000 ] - [ -0.0054995600000000, 0.0149592500000000, -0.0062696100000000 ] - [ -0.0000294700000000, 0.0002363400000000, 0.0001549900000000 ] - [ -0.0006195400000000, -0.0002196100000000, -0.0000922000000000 ] - [ -0.0049453800000000, 0.0141958100000000, 0.0048385100000000 ] - [ 0.0008284300000000, 0.0008310700000000, 0.0010958700000000 ] - [ -0.0012620500000000, 0.0007278500000000, 0.0005982800000000 ] - [ -0.0015744800000000, 0.0002793200000000, 0.0012585300000000 ] - [ 0.0001790100000000, 0.0004050100000000, 0.0005468200000000 ] - [ -0.0007612600000000, 0.0002719100000000, -0.0005834100000000 ] - [ 0.0009717700000000, 0.0004651000000000, -0.0009185300000000 ] - [ -0.0275349900000000, 0.0330767500000000, 0.0250078500000000 ] - [ 0.0001423400000000, 0.0009570700000000, 0.0001609400000000 ] - [ 0.0013795800000000, -0.0014498800000000, 0.0006648300000000 ] - [ -0.0004937200000000, -0.0017635500000000, 0.0022316300000000 ] - [ -0.0000348900000000, -0.0070935000000000, 0.0010385800000000 ] - [ 0.0003736600000000, -0.0018519300000000, 0.0001425500000000 ] - [ 0.0006403000000000, 0.0016981100000000, -0.0026563000000000 ] - [ -0.0026785100000000, 0.0020615100000000, -0.0013431800000000 ] - [ 0.0006757000000000, -0.0038402900000000, -0.0013370600000000 ] - [ -0.0011460700000000, -0.0029136100000000, -0.0006198300000000 ] - [ 0.0549896100000000, -0.1030421200000000, -0.0269640500000000 ] - [ -0.0005979300000000, -0.0006070500000000, -0.0001604700000000 ] - [ -0.0004640800000000, 0.0061117300000000, 0.0111858500000000 ] - [ -0.0006301800000000, -0.0006429500000000, 0.0013387900000000 ] - [ 0.0069625200000000, 0.0022864500000000, -0.0017546400000000 ] - [ -0.0008781100000000, -0.0004225400000000, 0.0003784400000000 ] - [ -0.0144069900000000, 0.0100057100000000, -0.0003858800000000 ] - [ 0.0008304400000000, -0.0004854900000000, -0.0001340500000000 ] - [ -0.0006835200000000, 0.0023621700000000, -0.0065461600000000 ] - [ 0.0000159700000000, -0.0004242400000000, -0.0007999500000000 ] - [ 0.0000030800000000, 0.0019642500000000, 0.0004017900000000 ] - [ -0.0011684100000000, 0.0025888300000000, -0.0003267400000000 ] - [ -0.0004122500000000, 0.0018388400000000, -0.0008197400000000 ] - [ -0.0001999300000000, 0.0013747600000000, 0.0002028500000000 ] - [ -0.0003138800000000, 0.0030446800000000, -0.0013416400000000 ] - [ -0.0004688800000000, 0.0027199600000000, 0.0010995800000000 ] - [ 0.0017681900000000, 0.0048017700000000, 0.0007804700000000 ] - [ 0.0002745700000000, 0.0008252600000000, -0.0004153800000000 ] - [ -0.0006972900000000, 0.0043908800000000, -0.0045009700000000 ] - [ -0.0005983300000000, 0.0003918600000000, -0.0003797000000000 ] - [ -0.0009152500000000, 0.0005349400000000, 0.0003748300000000 ] - [ 0.0036653800000000, 0.0028091200000000, 0.0005582900000000 ] - [ -0.0000515900000000, 0.0002871400000000, -0.0000401800000000 ] - [ -0.0059195200000000, 0.0065613400000000, -0.0005291600000000 ] - [ -0.0005439800000000, 0.0024199000000000, 0.0035534900000000 ] - [ -0.0000723700000000, 0.0005399600000000, 0.0010507200000000 ] - [ 0.0009315800000000, -0.0017035200000000, 0.0008256600000000 ] - [ 0.0003537400000000, -0.0021195600000000, -0.0005814000000000 ] - [ -0.0017463200000000, -0.0026890100000000, 0.0014352600000000 ] - [ 0.0011480400000000, -0.0024710300000000, 0.0017230700000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030027800000000, -0.0062682300000000, 0.0017162900000000 ] - [ -0.0002672600000000, -0.0008549000000000, 0.0001694600000000 ] - [ 0.0014526300000000, -0.0090170700000000, -0.0003743700000000 ] - [ 0.0001728100000000, -0.0004242500000000, 0.0004566900000000 ] - [ 0.0002884100000000, -0.0091460900000000, -0.0003263700000000 ] - [ 0.0002748600000000, -0.0010504600000000, 0.0003039800000000 ] - [ 0.0002764900000000, -0.0016950600000000, 0.0007684900000000 ] - [ 0.0005441100000000, -0.0010408100000000, 0.0006048700000000 ] - [ -0.0001095900000000, -0.0016007900000000, -0.0001714000000000 ] - [ -0.0000174400000000, -0.0015868900000000, -0.0003601300000000 ] - [ 0.0001479600000000, 0.0033868100000000, 0.0002799300000000 ] - [ -0.0000590500000000, 0.0004609400000000, 0.0001397400000000 ] - [ 0.0004819800000000, 0.0038987200000000, -0.0017103300000000 ] - [ 0.0005378000000000, -0.0000015000000000, 0.0000227100000000 ] - [ 0.0020671600000000, 0.0014162400000000, 0.0004792600000000 ] - [ -0.0010242300000000, 0.0013318000000000, 0.0017940300000000 ] - [ -0.0006972600000000, 0.0009957700000000, 0.0003601100000000 ] - [ 0.0004410400000000, 0.0007227800000000, 0.0010421800000000 ] - [ 0.0009715600000000, 0.0005278900000000, -0.0001585700000000 ] - [ -0.0010399700000000, 0.0009875400000000, -0.0019608300000000 ] - [ 0.0010273100000000, 0.0026572700000000, -0.0008516000000000 ] - [ -0.0006187000000000, 0.0000339600000000, -0.0003500000000000 ] - [ -0.0004715200000000, 0.0008167500000000, 0.0004356900000000 ] - [ -0.0004706800000000, 0.0021989500000000, 0.0002505200000000 ] - [ -0.0004726300000000, 0.0002123600000000, 0.0004184000000000 ] - [ 0.0003980200000000, 0.0021966400000000, 0.0004881500000000 ] - [ -0.0005097900000000, 0.0014469400000000, -0.0007469300000000 ] - [ -0.0005649900000000, 0.0013909300000000, -0.0002440400000000 ] - [ -0.0001445000000000, 0.0010458700000000, 0.0001461100000000 ] - [ -0.0000308400000000, 0.0012016400000000, 0.0004616500000000 ] - [ 0.0057422500000000, -0.0151512600000000, 0.0064658700000000 ] - [ -0.0001683100000000, -0.0000760700000000, 0.0001402000000000 ] - [ -0.0006182100000000, -0.0003047600000000, 0.0004190800000000 ] - [ 0.0041236300000000, -0.0153488700000000, -0.0057671700000000 ] - [ -0.0015574500000000, -0.0002434200000000, -0.0004331100000000 ] - [ 0.0005525600000000, -0.0001506700000000, -0.0012741700000000 ] - [ 0.0009158800000000, -0.0008704600000000, -0.0004859600000000 ] - [ -0.0008357900000000, -0.0009911500000000, -0.0013380600000000 ] - [ 0.0002943800000000, 0.0002507900000000, 0.0008951600000000 ] - [ -0.0014429300000000, 0.0000506900000000, 0.0006160600000000 ] - [ 0.0268428400000000, -0.0342923900000000, -0.0248024100000000 ] - [ -0.0000927200000000, -0.0021237700000000, 0.0003533500000000 ] - [ -0.0013367300000000, 0.0026398500000000, -0.0011786100000000 ] - [ 0.0005430900000000, 0.0029415800000000, -0.0017133800000000 ] - [ -0.0000047700000000, 0.0059203900000000, -0.0015567300000000 ] - [ -0.0004073600000000, 0.0006505800000000, 0.0003667800000000 ] - [ -0.0006754200000000, -0.0005180800000000, 0.0021583400000000 ] - [ 0.0026446800000000, -0.0008889900000000, 0.0018533400000000 ] - [ -0.0006554000000000, 0.0045175800000000, 0.0000424700000000 ] - [ 0.0010934600000000, 0.0035648900000000, 0.0018375900000000 ] - [ -0.0563325800000000, 0.1042125800000000, 0.0271882500000000 ] - [ -0.0004677600000000, 0.0010114400000000, -0.0005865400000000 ] - [ 0.0006079400000000, -0.0062255900000000, -0.0117749700000000 ] - [ 0.0007980600000000, 0.0004977300000000, -0.0006653200000000 ] - [ -0.0062521200000000, -0.0019631600000000, 0.0012719300000000 ] - [ 0.0015461300000000, 0.0007358700000000, 0.0000782100000000 ] - [ 0.0149072200000000, -0.0102864200000000, 0.0008562300000000 ] - [ -0.0001643200000000, 0.0001619900000000, -0.0003103700000000 ] - [ 0.0008391500000000, -0.0022471000000000, 0.0058299200000000 ] - [ 0.0001229400000000, 0.0005690100000000, 0.0014811100000000 ] - [ -0.0010772900000000, -0.0023798000000000, 0.0003448300000000 ] - [ 0.0000746500000000, -0.0030103100000000, -0.0004295000000000 ] - [ 0.0003879800000000, -0.0025025300000000, -0.0004262400000000 ] - [ 0.0001831000000000, -0.0020444500000000, 0.0010391000000000 ] - [ 0.0003574700000000, -0.0024163100000000, 0.0001385800000000 ] - [ 0.0005205100000000, -0.0020879100000000, 0.0000982900000000 ] - [ -0.0007360900000000, -0.0044151400000000, -0.0000807100000000 ] - [ 0.0007783500000000, -0.0004257500000000, -0.0002733800000000 ] - [ 0.0004992400000000, -0.0044771900000000, 0.0039002400000000 ] - [ 0.0004262000000000, -0.0004774200000000, 0.0010311400000000 ] - [ 0.0002742700000000, -0.0002496000000000, 0.0000400900000000 ] - [ -0.0043289000000000, -0.0025357500000000, -0.0009653800000000 ] - [ -0.0005906600000000, -0.0005664600000000, -0.0003878500000000 ] - [ 0.0053294900000000, -0.0068683600000000, 0.0009391800000000 ] - [ 0.0003593600000000, -0.0023431800000000, -0.0042106000000000 ] - [ -0.0001131300000000, -0.0004540500000000, -0.0004148400000000 ] - [ 0.0000982400000000, 0.0013110600000000, -0.0001355400000000 ] - [ 0.0006863900000000, 0.0017312300000000, -0.0001043900000000 ] - [ 0.0017983100000000, 0.0020738700000000, -0.0026292600000000 ] - [ -0.0010762700000000, 0.0018515100000000, -0.0005245600000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0025193900000000, -0.0017227900000000, 0.0076093000000000 ] - [ 0.0011915400000000, -0.0015075400000000, -0.0016682300000000 ] - [ -0.0012435800000000, 0.0007947200000000, 0.0065015100000000 ] - [ 0.0010044300000000, 0.0010120500000000, -0.0009959900000000 ] - [ 0.0014225300000000, 0.0005907100000000, 0.0064352000000000 ] - [ -0.0001259000000000, 0.0001771300000000, -0.0007948200000000 ] - [ 0.0005916400000000, 0.0008575100000000, -0.0036676500000000 ] - [ 0.0005856500000000, -0.0000182900000000, 0.0016739900000000 ] - [ -0.0006813000000000, 0.0001236800000000, -0.0033872100000000 ] - [ 0.0013088300000000, 0.0004957200000000, 0.0008206600000000 ] - [ 0.0008330100000000, -0.0015273400000000, 0.0016951100000000 ] - [ 0.0000163300000000, -0.0001052600000000, -0.0002225000000000 ] - [ -0.0004426500000000, 0.0015444100000000, 0.0013383200000000 ] - [ 0.0006230900000000, -0.0003361600000000, -0.0004696400000000 ] - [ -0.0013605800000000, -0.0008780200000000, -0.0022414100000000 ] - [ 0.0010375700000000, -0.0003088200000000, 0.0008819200000000 ] - [ 0.0016813200000000, -0.0014962100000000, -0.0022517000000000 ] - [ 0.0001132200000000, -0.0003975800000000, 0.0013178700000000 ] - [ 0.0011470200000000, 0.0008124400000000, -0.0013260700000000 ] - [ 0.0001973400000000, 0.0005115500000000, 0.0006986500000000 ] - [ 0.0002596900000000, 0.0002705600000000, 0.0013417100000000 ] - [ -0.0001647500000000, -0.0001818700000000, -0.0007470200000000 ] - [ -0.0003950800000000, 0.0002181500000000, -0.0002826400000000 ] - [ -0.0000244300000000, -0.0003294400000000, 0.0003464100000000 ] - [ -0.0001365600000000, -0.0006165100000000, -0.0002078500000000 ] - [ -0.0007926900000000, -0.0015014600000000, 0.0002833700000000 ] - [ -0.0009001000000000, 0.0001832400000000, -0.0012575000000000 ] - [ -0.0006281700000000, 0.0001401900000000, 0.0009506000000000 ] - [ 0.0001429700000000, -0.0004726000000000, -0.0008809000000000 ] - [ -0.0001550200000000, -0.0003136400000000, 0.0003994400000000 ] - [ 0.0070692000000000, -0.0082836300000000, 0.0163555700000000 ] - [ 0.0010195500000000, 0.0014093500000000, -0.0011535700000000 ] - [ -0.0008085400000000, -0.0004888400000000, -0.0011708200000000 ] - [ -0.0039797500000000, 0.0056288800000000, 0.0116389800000000 ] - [ -0.0007269400000000, 0.0008325700000000, 0.0015229500000000 ] - [ -0.0007855100000000, 0.0014539600000000, -0.0024086400000000 ] - [ 0.0006602100000000, 0.0008947000000000, 0.0024520900000000 ] - [ -0.0006375300000000, 0.0005197500000000, -0.0024869100000000 ] - [ -0.0006554000000000, -0.0002573900000000, -0.0015573200000000 ] - [ 0.0005992600000000, -0.0005078200000000, 0.0006413300000000 ] - [ -0.0376263100000000, 0.0223000600000000, 0.0551011300000000 ] - [ -0.0010679800000000, -0.0021941300000000, -0.0025516400000000 ] - [ -0.0027015700000000, 0.0027356900000000, -0.0044401000000000 ] - [ 0.0008856900000000, 0.0012497800000000, 0.0007360500000000 ] - [ -0.0015261300000000, -0.0001504700000000, 0.0029105000000000 ] - [ 0.0003539200000000, -0.0004704400000000, -0.0009801200000000 ] - [ -0.0004549000000000, -0.0009467600000000, -0.0061145500000000 ] - [ -0.0030811100000000, -0.0012282100000000, 0.0023491400000000 ] - [ -0.0089935200000000, -0.0012851800000000, 0.0063897500000000 ] - [ 0.0059851400000000, 0.0001839400000000, 0.0038446400000000 ] - [ 0.0443745800000000, -0.0274155200000000, -0.1228420300000000 ] - [ -0.0006405100000000, -0.0000182700000000, 0.0025864900000000 ] - [ -0.0009857000000000, 0.0129532700000000, 0.0098439000000000 ] - [ -0.0002166000000000, 0.0010315700000000, 0.0001333900000000 ] - [ -0.0014805000000000, -0.0015477800000000, -0.0034082500000000 ] - [ 0.0008355600000000, 0.0006073800000000, 0.0041022900000000 ] - [ -0.0005231900000000, 0.0013284100000000, -0.0078069000000000 ] - [ 0.0004135300000000, 0.0002443900000000, 0.0019730100000000 ] - [ 0.0026625600000000, -0.0083677200000000, 0.0076107800000000 ] - [ -0.0000667300000000, -0.0006010200000000, 0.0005344100000000 ] - [ -0.0006835500000000, -0.0002300900000000, 0.0041383900000000 ] - [ -0.0011006300000000, -0.0001562000000000, -0.0013410000000000 ] - [ 0.0010838400000000, -0.0008016400000000, -0.0005930300000000 ] - [ -0.0007007100000000, -0.0002693800000000, 0.0007600200000000 ] - [ 0.0010441000000000, 0.0008717600000000, -0.0008307000000000 ] - [ -0.0010036100000000, 0.0012544600000000, 0.0005048500000000 ] - [ 0.0006006500000000, 0.0005999000000000, -0.0019630200000000 ] - [ 0.0002386600000000, 0.0002334400000000, 0.0006838400000000 ] - [ 0.0010807900000000, -0.0040655000000000, 0.0007265500000000 ] - [ -0.0004231100000000, -0.0009782500000000, 0.0001281600000000 ] - [ -0.0006106400000000, 0.0007181800000000, 0.0026401400000000 ] - [ 0.0004470900000000, 0.0009927000000000, -0.0023621100000000 ] - [ -0.0002267900000000, -0.0004365900000000, 0.0017319100000000 ] - [ -0.0006978900000000, 0.0013993400000000, -0.0034869700000000 ] - [ -0.0006760200000000, 0.0032417400000000, 0.0025864000000000 ] - [ -0.0000606500000000, 0.0009546400000000, 0.0004832100000000 ] - [ 0.0013412200000000, -0.0006578200000000, 0.0042591100000000 ] - [ 0.0004806100000000, -0.0004089300000000, -0.0026143100000000 ] - [ -0.0054407400000000, 0.0012597700000000, 0.0052389700000000 ] - [ 0.0048206000000000, 0.0008494200000000, 0.0036110900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0031272100000000, 0.0013241900000000, -0.0071538100000000 ] - [ -0.0007131600000000, 0.0009649800000000, 0.0013796200000000 ] - [ 0.0015323100000000, -0.0000378800000000, -0.0076464100000000 ] - [ -0.0003717900000000, -0.0004568100000000, 0.0018000700000000 ] - [ -0.0003837200000000, -0.0009411400000000, -0.0074558300000000 ] - [ 0.0008606700000000, -0.0007827100000000, 0.0014558600000000 ] - [ 0.0006493100000000, -0.0003461600000000, 0.0033290700000000 ] - [ 0.0006510100000000, 0.0005339800000000, -0.0013292800000000 ] - [ 0.0008613100000000, -0.0003080000000000, 0.0031037500000000 ] - [ -0.0011428000000000, -0.0006765800000000, -0.0005354300000000 ] - [ -0.0006620500000000, 0.0017140400000000, -0.0019746600000000 ] - [ 0.0001467400000000, 0.0002860900000000, 0.0005271600000000 ] - [ 0.0016723700000000, -0.0020441000000000, -0.0016944300000000 ] - [ 0.0006093400000000, -0.0001783000000000, 0.0008051700000000 ] - [ 0.0020895600000000, 0.0014834900000000, 0.0015759300000000 ] - [ -0.0003072400000000, 0.0009183600000000, -0.0002079000000000 ] - [ -0.0010381400000000, 0.0009312000000000, 0.0014499600000000 ] - [ 0.0005233200000000, -0.0001618300000000, -0.0005088500000000 ] - [ -0.0006796500000000, -0.0002811400000000, 0.0016221300000000 ] - [ 0.0002749000000000, 0.0000301400000000, -0.0010061700000000 ] - [ -0.0007339300000000, -0.0008114200000000, -0.0010349100000000 ] - [ -0.0003160000000000, -0.0003544700000000, 0.0004608100000000 ] - [ -0.0002370400000000, 0.0003425100000000, 0.0010835600000000 ] - [ -0.0006193200000000, 0.0008959200000000, -0.0011588300000000 ] - [ -0.0006062900000000, 0.0000129600000000, 0.0008663600000000 ] - [ 0.0000643600000000, 0.0008937000000000, -0.0009578100000000 ] - [ -0.0003324800000000, 0.0003330100000000, 0.0009259900000000 ] - [ -0.0006013900000000, 0.0003770600000000, -0.0006117200000000 ] - [ -0.0003145600000000, 0.0002938400000000, 0.0005831000000000 ] - [ -0.0000140100000000, 0.0001328700000000, -0.0001016500000000 ] - [ -0.0068728900000000, 0.0080128200000000, -0.0163443700000000 ] - [ -0.0011866800000000, -0.0012236500000000, 0.0014543200000000 ] - [ -0.0004204100000000, -0.0000184400000000, 0.0015035800000000 ] - [ 0.0029900700000000, -0.0066066900000000, -0.0122239000000000 ] - [ -0.0000072000000000, -0.0002308400000000, -0.0008524100000000 ] - [ 0.0000617200000000, -0.0008378900000000, 0.0017402600000000 ] - [ -0.0013068900000000, -0.0014602500000000, -0.0016386900000000 ] - [ -0.0000082000000000, -0.0010759500000000, 0.0016804700000000 ] - [ 0.0001839100000000, 0.0007962400000000, 0.0018543300000000 ] - [ -0.0010792200000000, 0.0010526000000000, -0.0009434700000000 ] - [ 0.0356721200000000, -0.0222529200000000, -0.0544117900000000 ] - [ 0.0010837100000000, 0.0009621700000000, 0.0030680900000000 ] - [ 0.0027316200000000, -0.0015137100000000, 0.0039238300000000 ] - [ -0.0008728100000000, -0.0000135400000000, -0.0002425400000000 ] - [ 0.0014984700000000, -0.0010802600000000, -0.0034040600000000 ] - [ -0.0003671500000000, -0.0007572100000000, 0.0015029400000000 ] - [ 0.0004217000000000, 0.0021819900000000, 0.0056236400000000 ] - [ 0.0030617100000000, 0.0024562200000000, -0.0018652200000000 ] - [ 0.0088476100000000, 0.0019186100000000, -0.0074583300000000 ] - [ -0.0059879400000000, 0.0004627300000000, -0.0027244000000000 ] - [ -0.0440241200000000, 0.0266819400000000, 0.1226618000000000 ] - [ -0.0003252800000000, 0.0003402100000000, -0.0032658300000000 ] - [ 0.0012271900000000, -0.0129027200000000, -0.0103866800000000 ] - [ 0.0004657300000000, -0.0011323200000000, 0.0004883600000000 ] - [ 0.0020378800000000, 0.0017283500000000, 0.0030465900000000 ] - [ -0.0002316800000000, -0.0003955400000000, -0.0037236300000000 ] - [ 0.0011985700000000, -0.0016075600000000, 0.0081846900000000 ] - [ 0.0002011300000000, -0.0004501000000000, -0.0023609200000000 ] - [ -0.0024318200000000, 0.0085482500000000, -0.0082721100000000 ] - [ 0.0003059100000000, 0.0007198700000000, 0.0001171700000000 ] - [ -0.0002913200000000, -0.0000863700000000, -0.0034697200000000 ] - [ 0.0001312200000000, -0.0001761700000000, 0.0006700700000000 ] - [ -0.0011298300000000, 0.0001532200000000, -0.0005153800000000 ] - [ 0.0006744000000000, -0.0003903800000000, 0.0003781500000000 ] - [ -0.0009966400000000, -0.0002211200000000, -0.0003005200000000 ] - [ 0.0010366100000000, -0.0006062700000000, 0.0006162900000000 ] - [ 0.0003704600000000, -0.0002841500000000, 0.0026374800000000 ] - [ 0.0007316200000000, 0.0000845200000000, -0.0013656600000000 ] - [ -0.0013098900000000, 0.0039306800000000, -0.0013720100000000 ] - [ 0.0001832500000000, 0.0008636400000000, 0.0004949400000000 ] - [ 0.0000066300000000, -0.0005138100000000, -0.0022641600000000 ] - [ -0.0010443300000000, -0.0007731000000000, 0.0019879200000000 ] - [ -0.0003818700000000, 0.0002209700000000, -0.0021223800000000 ] - [ 0.0000658600000000, -0.0015801300000000, 0.0038758600000000 ] - [ 0.0004384800000000, -0.0031527400000000, -0.0032129400000000 ] - [ -0.0001806000000000, -0.0008491000000000, 0.0001588000000000 ] - [ -0.0003680500000000, 0.0003340700000000, -0.0035906000000000 ] - [ 0.0004946300000000, 0.0000832600000000, 0.0019474400000000 ] - [ 0.0055297900000000, -0.0019218900000000, -0.0063895600000000 ] - [ -0.0048160300000000, -0.0015053000000000, -0.0024866000000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0074096500000000, -0.0009039600000000, 0.0004019600000000 ] - [ -0.0040404200000000, -0.0006697600000000, 0.0017126900000000 ] - [ 0.0015710900000000, -0.0010597300000000, -0.0016155000000000 ] - [ -0.0001694400000000, 0.0008589000000000, -0.0002476700000000 ] - [ 0.0012220500000000, 0.0000470800000000, 0.0003970000000000 ] - [ -0.0007161000000000, -0.0006172500000000, 0.0003646700000000 ] - [ 0.0104582400000000, 0.0031971000000000, -0.0033870700000000 ] - [ -0.0015515400000000, 0.0003890500000000, 0.0007531900000000 ] - [ 0.0010329800000000, -0.0007137800000000, -0.0000209000000000 ] - [ -0.0006376800000000, 0.0003853300000000, 0.0003599900000000 ] - [ 0.0107426400000000, -0.0025005100000000, 0.0029134200000000 ] - [ -0.0019538700000000, -0.0003708700000000, -0.0001614900000000 ] - [ 0.0028124600000000, 0.0008828300000000, -0.0005216700000000 ] - [ -0.0003808200000000, -0.0008371400000000, -0.0002531200000000 ] - [ 0.0119870800000000, 0.0036034900000000, 0.0038622100000000 ] - [ -0.0031349100000000, 0.0012285300000000, 0.0001968600000000 ] - [ 0.0096359200000000, -0.0007074500000000, -0.0006552100000000 ] - [ -0.0026036600000000, -0.0011093900000000, 0.0014588500000000 ] - [ 0.0009923500000000, -0.0000326000000000, -0.0011300000000000 ] - [ -0.0015397600000000, 0.0010586700000000, -0.0013022000000000 ] - [ 0.0010071700000000, -0.0002070700000000, -0.0004229200000000 ] - [ -0.0013114400000000, -0.0006823000000000, -0.0006867400000000 ] - [ -0.0005681000000000, 0.0002977800000000, 0.0004673000000000 ] - [ -0.0002799200000000, 0.0002030400000000, -0.0001570300000000 ] - [ -0.0008273900000000, -0.0003731000000000, 0.0002727800000000 ] - [ 0.0003077400000000, -0.0002117200000000, -0.0002144600000000 ] - [ 0.0002546500000000, -0.0006842000000000, -0.0008623600000000 ] - [ -0.0015967500000000, 0.0003232400000000, -0.0003254500000000 ] - [ 0.0001017500000000, -0.0001582300000000, -0.0003379200000000 ] - [ -0.0005010500000000, -0.0000145400000000, 0.0000812900000000 ] - [ 0.0010025300000000, 0.0014271000000000, 0.0008957500000000 ] - [ -0.0021859600000000, -0.0003534800000000, 0.0014963800000000 ] - [ -0.0011113900000000, -0.0001001000000000, 0.0001949600000000 ] - [ -0.0002878000000000, -0.0005067200000000, -0.0001455200000000 ] - [ -0.0016172000000000, 0.0008926700000000, 0.0009162200000000 ] - [ 0.0016431700000000, -0.0007052200000000, 0.0006584100000000 ] - [ -0.0016914900000000, -0.0013044900000000, -0.0009549000000000 ] - [ 0.0002141600000000, 0.0010075200000000, -0.0011768000000000 ] - [ 0.0004014300000000, 0.0002638000000000, 0.0002164400000000 ] - [ -0.0007209300000000, 0.0002182000000000, -0.0000599300000000 ] - [ 0.0396471700000000, 0.0221214100000000, 0.0214510200000000 ] - [ -0.0073796400000000, 0.0004255500000000, -0.0015039900000000 ] - [ 0.0031869300000000, 0.0030600600000000, 0.0001216700000000 ] - [ -0.0020710000000000, -0.0007922800000000, 0.0012506200000000 ] - [ 0.0020033000000000, -0.0040248200000000, 0.0020668100000000 ] - [ -0.0025384100000000, 0.0001327200000000, 0.0023288900000000 ] - [ 0.0002944500000000, 0.0006777400000000, -0.0007946000000000 ] - [ -0.0007751200000000, 0.0002593700000000, -0.0001465700000000 ] - [ 0.0076325300000000, 0.0139612100000000, -0.0022931900000000 ] - [ 0.0059334800000000, -0.0046259800000000, 0.0005426900000000 ] - [ -0.0068549800000000, -0.0003782200000000, -0.0007364100000000 ] - [ 0.0023948600000000, -0.0005754800000000, -0.0000021500000000 ] - [ -0.1003214400000000, -0.0323664500000000, -0.0335741900000000 ] - [ 0.0047651900000000, 0.0002321400000000, -0.0003448600000000 ] - [ 0.0033016900000000, 0.0004378700000000, -0.0042422200000000 ] - [ 0.0014881500000000, -0.0006519500000000, -0.0071687900000000 ] - [ 0.0063705700000000, -0.0015443500000000, 0.0146151200000000 ] - [ 0.0047262700000000, -0.0003128100000000, 0.0034448000000000 ] - [ -0.0022058700000000, -0.0000564700000000, 0.0001025200000000 ] - [ 0.0022633600000000, -0.0000707800000000, 0.0003784200000000 ] - [ -0.0041020300000000, 0.0006198900000000, 0.0028675300000000 ] - [ 0.0019397600000000, -0.0000668200000000, -0.0001450200000000 ] - [ -0.0004555500000000, -0.0014468500000000, -0.0000715800000000 ] - [ 0.0002676300000000, 0.0001054500000000, 0.0006583700000000 ] - [ 0.0034861300000000, 0.0069917000000000, -0.0007733100000000 ] - [ 0.0035461700000000, -0.0059251500000000, -0.0002683300000000 ] - [ -0.0023153300000000, 0.0007518500000000, -0.0008488100000000 ] - [ 0.0024167000000000, 0.0006671400000000, -0.0006420900000000 ] - [ -0.0026255500000000, 0.0006802800000000, -0.0002063200000000 ] - [ 0.0031362600000000, -0.0000927900000000, 0.0003943300000000 ] - [ -0.0003017900000000, 0.0003162800000000, 0.0009216600000000 ] - [ -0.0003151100000000, 0.0002393500000000, 0.0006157500000000 ] - [ -0.0001784200000000, 0.0002620600000000, -0.0014018300000000 ] - [ -0.0003290600000000, 0.0001449900000000, -0.0007210600000000 ] - [ -0.0007412000000000, 0.0000557800000000, -0.0001990200000000 ] - [ 0.0006326800000000, 0.0001568900000000, 0.0004272400000000 ] - [ -0.0016968500000000, -0.0005932800000000, 0.0008844600000000 ] - [ 0.0023080200000000, -0.0001274800000000, -0.0002758400000000 ] - [ -0.0000670200000000, -0.0005664700000000, -0.0004546100000000 ] - [ 0.0001636400000000, 0.0004579800000000, 0.0007613700000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064586900000000, 0.0000987700000000, -0.0004988400000000 ] - [ 0.0045510500000000, 0.0001492800000000, -0.0020217600000000 ] - [ -0.0009402900000000, 0.0016256400000000, 0.0008032500000000 ] - [ 0.0008015100000000, -0.0003048300000000, 0.0010457400000000 ] - [ -0.0004849500000000, -0.0006395300000000, -0.0010724700000000 ] - [ 0.0014559100000000, 0.0000117100000000, 0.0002884300000000 ] - [ -0.0091944500000000, -0.0027136100000000, 0.0031035700000000 ] - [ 0.0027764200000000, 0.0001285300000000, -0.0004202900000000 ] - [ -0.0008676000000000, 0.0005385400000000, -0.0002724400000000 ] - [ 0.0007974400000000, -0.0005609500000000, -0.0000574700000000 ] - [ -0.0106086800000000, 0.0028374500000000, -0.0033343700000000 ] - [ 0.0021050100000000, 0.0005499300000000, 0.0004551800000000 ] - [ -0.0015805200000000, -0.0013971300000000, 0.0001808700000000 ] - [ 0.0016035200000000, 0.0003254700000000, 0.0005806100000000 ] - [ -0.0108271200000000, -0.0026101000000000, -0.0040557100000000 ] - [ 0.0038897800000000, -0.0006308000000000, 0.0004838400000000 ] - [ -0.0091743000000000, 0.0003627300000000, 0.0000427400000000 ] - [ 0.0032198700000000, 0.0005438000000000, -0.0006338000000000 ] - [ -0.0005109500000000, 0.0005684800000000, 0.0014314200000000 ] - [ 0.0020109800000000, -0.0005174000000000, 0.0010014700000000 ] - [ -0.0014887100000000, -0.0003273800000000, 0.0007301600000000 ] - [ 0.0008521800000000, 0.0001349000000000, 0.0003788200000000 ] - [ -0.0000646500000000, 0.0002504300000000, 0.0003404000000000 ] - [ -0.0003497200000000, 0.0003519600000000, -0.0006543800000000 ] - [ 0.0000881300000000, -0.0002375500000000, 0.0003957900000000 ] - [ -0.0010568100000000, -0.0003992300000000, -0.0004522100000000 ] - [ -0.0014874100000000, 0.0011864600000000, 0.0005316000000000 ] - [ 0.0003689300000000, 0.0001854700000000, 0.0006605700000000 ] - [ -0.0002679000000000, -0.0000288400000000, 0.0000355500000000 ] - [ 0.0003471200000000, -0.0001744100000000, 0.0002174000000000 ] - [ -0.0011536700000000, -0.0012444900000000, -0.0011845000000000 ] - [ 0.0020197300000000, 0.0005397500000000, -0.0011893100000000 ] - [ -0.0001270400000000, -0.0003970000000000, 0.0001283500000000 ] - [ -0.0009274400000000, -0.0000128100000000, -0.0001843600000000 ] - [ 0.0008635300000000, -0.0002922200000000, -0.0002550600000000 ] - [ -0.0023830000000000, 0.0013041500000000, -0.0013371000000000 ] - [ 0.0010646500000000, 0.0007512000000000, 0.0017609600000000 ] - [ -0.0008486800000000, -0.0015621100000000, 0.0003604900000000 ] - [ -0.0008695400000000, 0.0002722400000000, 0.0000958500000000 ] - [ 0.0002424900000000, 0.0003215700000000, -0.0002347800000000 ] - [ -0.0401432400000000, -0.0244574000000000, -0.0230308300000000 ] - [ 0.0073642700000000, -0.0016231300000000, 0.0019964700000000 ] - [ -0.0031823200000000, -0.0018472700000000, -0.0006187100000000 ] - [ 0.0020889600000000, 0.0020087000000000, -0.0007428100000000 ] - [ -0.0020009200000000, 0.0028031200000000, -0.0025608900000000 ] - [ 0.0025154200000000, -0.0013546300000000, -0.0018316100000000 ] - [ -0.0003070300000000, 0.0005451600000000, 0.0002902800000000 ] - [ 0.0007476500000000, 0.0009595800000000, 0.0006526400000000 ] - [ -0.0076755600000000, -0.0134327800000000, 0.0011675200000000 ] - [ -0.0059583800000000, 0.0052526500000000, 0.0005885200000000 ] - [ 0.0058559600000000, 0.0007656600000000, 0.0014910400000000 ] - [ -0.0033638000000000, 0.0008986800000000, -0.0006887400000000 ] - [ 0.1003458600000000, 0.0329374300000000, 0.0338696500000000 ] - [ -0.0045090600000000, -0.0003602900000000, 0.0009955600000000 ] - [ -0.0026852400000000, -0.0002012900000000, 0.0038111400000000 ] - [ -0.0008673300000000, 0.0008439700000000, 0.0075701200000000 ] - [ -0.0057606100000000, 0.0013212600000000, -0.0143641200000000 ] - [ -0.0041045700000000, 0.0000894600000000, -0.0038206800000000 ] - [ 0.0024756900000000, 0.0001574600000000, -0.0007045500000000 ] - [ -0.0020264800000000, 0.0002200000000000, 0.0002965000000000 ] - [ 0.0031512400000000, -0.0009466700000000, -0.0022488100000000 ] - [ -0.0029301700000000, -0.0002750300000000, -0.0005676400000000 ] - [ 0.0004043900000000, 0.0008122600000000, -0.0010217100000000 ] - [ -0.0002850900000000, -0.0007864200000000, 0.0005033700000000 ] - [ -0.0034339300000000, -0.0062927600000000, -0.0003318600000000 ] - [ -0.0035443100000000, 0.0066697000000000, 0.0014382000000000 ] - [ 0.0032685200000000, -0.0004489100000000, 0.0015221000000000 ] - [ -0.0014121300000000, -0.0003126600000000, -0.0000910800000000 ] - [ 0.0023614600000000, -0.0007970000000000, -0.0004204600000000 ] - [ -0.0033607900000000, -0.0000764700000000, 0.0002828300000000 ] - [ -0.0003171500000000, -0.0000884600000000, -0.0005290800000000 ] - [ -0.0002985900000000, 0.0000040300000000, -0.0010373600000000 ] - [ -0.0004475700000000, -0.0005131500000000, 0.0009772200000000 ] - [ -0.0002863800000000, -0.0003519600000000, 0.0011024300000000 ] - [ 0.0004921500000000, 0.0000884000000000, -0.0004431600000000 ] - [ -0.0008675500000000, -0.0000145700000000, 0.0002272900000000 ] - [ 0.0026809000000000, 0.0002741400000000, -0.0002087400000000 ] - [ -0.0013061300000000, -0.0002133700000000, -0.0004358200000000 ] - [ 0.0000753100000000, -0.0001079600000000, -0.0006858600000000 ] - [ -0.0001395900000000, -0.0011375500000000, 0.0004074500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004640600000000, 0.0089009500000000, 0.0018317800000000 ] - [ -0.0005033900000000, 0.0022910900000000, 0.0009512000000000 ] - [ -0.0007509800000000, 0.0014624400000000, -0.0020246500000000 ] - [ 0.0003395100000000, 0.0007082000000000, 0.0004215300000000 ] - [ 0.0014382400000000, 0.0013838700000000, -0.0014709100000000 ] - [ 0.0004709700000000, 0.0001875900000000, 0.0003735200000000 ] - [ 0.0047947200000000, 0.0145550800000000, -0.0070541100000000 ] - [ 0.0005695200000000, 0.0010600600000000, -0.0003959800000000 ] - [ -0.0002446900000000, 0.0007062900000000, 0.0002573900000000 ] - [ 0.0001701600000000, 0.0003342500000000, 0.0000722300000000 ] - [ -0.0032820400000000, 0.0120069500000000, -0.0036580600000000 ] - [ -0.0007030600000000, 0.0010115400000000, -0.0004085000000000 ] - [ 0.0013757700000000, 0.0009657100000000, 0.0010863600000000 ] - [ 0.0005851600000000, 0.0001006000000000, 0.0000341500000000 ] - [ 0.0030946800000000, 0.0098977300000000, 0.0028135700000000 ] - [ 0.0014076000000000, 0.0017131400000000, 0.0013100600000000 ] - [ 0.0011281400000000, 0.0072268400000000, -0.0015553000000000 ] - [ -0.0009708900000000, 0.0005776300000000, 0.0011152200000000 ] - [ -0.0004109700000000, 0.0011750800000000, -0.0005234000000000 ] - [ 0.0000046700000000, 0.0007018700000000, -0.0004701000000000 ] - [ 0.0001941700000000, -0.0029509800000000, 0.0005948700000000 ] - [ -0.0005443100000000, -0.0014201300000000, -0.0006747400000000 ] - [ -0.0002016600000000, -0.0001350700000000, 0.0001571200000000 ] - [ -0.0008407400000000, -0.0003374400000000, 0.0002002100000000 ] - [ -0.0003696600000000, -0.0007117500000000, 0.0001397500000000 ] - [ 0.0001451700000000, -0.0012730800000000, 0.0001591600000000 ] - [ -0.0012690600000000, -0.0025227100000000, -0.0011541200000000 ] - [ -0.0002079700000000, -0.0005885600000000, 0.0010785700000000 ] - [ -0.0006215500000000, -0.0009997700000000, -0.0006222600000000 ] - [ -0.0000216900000000, -0.0004480500000000, 0.0001293800000000 ] - [ 0.0013791100000000, -0.0031572300000000, -0.0002261900000000 ] - [ -0.0015965000000000, -0.0014920000000000, 0.0017635500000000 ] - [ -0.0006106800000000, -0.0006769400000000, 0.0002228100000000 ] - [ 0.0003579100000000, -0.0023467700000000, -0.0008996300000000 ] - [ -0.0003605700000000, -0.0008092300000000, 0.0001015800000000 ] - [ 0.0003283800000000, -0.0025889700000000, 0.0006571700000000 ] - [ -0.0016246500000000, -0.0022270900000000, -0.0010060600000000 ] - [ 0.0003081300000000, -0.0023553800000000, 0.0000665100000000 ] - [ -0.0005234200000000, -0.0004729400000000, 0.0002191200000000 ] - [ -0.0003243400000000, -0.0001917900000000, -0.0001088400000000 ] - [ 0.0218528200000000, 0.0440419300000000, 0.0227181900000000 ] - [ 0.0009257700000000, 0.0024483300000000, 0.0020281100000000 ] - [ 0.0023485200000000, 0.0031366000000000, -0.0032939000000000 ] - [ -0.0002317200000000, 0.0013751900000000, 0.0003673300000000 ] - [ -0.0013350500000000, -0.0075625300000000, 0.0012801400000000 ] - [ 0.0018912400000000, -0.0045155200000000, -0.0021746900000000 ] - [ 0.0010896800000000, -0.0013228100000000, 0.0001895700000000 ] - [ -0.0003904100000000, -0.0004877500000000, -0.0003021700000000 ] - [ 0.0142009400000000, 0.0113107700000000, -0.0028786900000000 ] - [ -0.0050953900000000, 0.0018266100000000, 0.0002474200000000 ] - [ -0.0029378700000000, 0.0063860500000000, 0.0132505500000000 ] - [ 0.0000045700000000, -0.0003575600000000, -0.0014288800000000 ] - [ -0.0316900500000000, -0.1139284200000000, -0.0310132800000000 ] - [ 0.0003768900000000, -0.0026086100000000, 0.0003040100000000 ] - [ 0.0002824600000000, -0.0019938600000000, -0.0003756900000000 ] - [ -0.0004164900000000, -0.0036973100000000, 0.0005132600000000 ] - [ 0.0006463700000000, -0.0075921300000000, 0.0011392100000000 ] - [ 0.0013004600000000, -0.0026970500000000, 0.0000175300000000 ] - [ 0.0001448800000000, -0.0023057800000000, 0.0011230800000000 ] - [ 0.0001507600000000, -0.0006312200000000, 0.0003026100000000 ] - [ -0.0009059100000000, 0.0020696100000000, 0.0088737300000000 ] - [ -0.0005940100000000, -0.0007247200000000, -0.0010547900000000 ] - [ -0.0008171500000000, -0.0005380000000000, -0.0000431300000000 ] - [ 0.0005953500000000, -0.0004788600000000, 0.0009333300000000 ] - [ 0.0050885900000000, 0.0051235200000000, -0.0007484400000000 ] - [ -0.0078550200000000, 0.0066369000000000, 0.0011592500000000 ] - [ 0.0012079700000000, 0.0046690400000000, -0.0036670700000000 ] - [ 0.0003898400000000, 0.0006692800000000, 0.0005978900000000 ] - [ -0.0008153800000000, 0.0044724900000000, -0.0000312800000000 ] - [ -0.0000408400000000, 0.0037948000000000, -0.0000614900000000 ] - [ -0.0005554700000000, 0.0020860000000000, 0.0008050600000000 ] - [ -0.0003741700000000, 0.0021582600000000, -0.0002351300000000 ] - [ -0.0002603600000000, 0.0022961000000000, -0.0001979900000000 ] - [ -0.0001553500000000, 0.0025826700000000, -0.0004932200000000 ] - [ -0.0000168600000000, 0.0021605900000000, -0.0006181100000000 ] - [ 0.0000260100000000, 0.0008050700000000, 0.0006197700000000 ] - [ -0.0003973500000000, 0.0021223700000000, -0.0027863300000000 ] - [ 0.0008466400000000, 0.0002607600000000, 0.0005565900000000 ] - [ -0.0008056500000000, -0.0000767700000000, -0.0001777700000000 ] - [ 0.0006756300000000, -0.0001750700000000, 0.0010515500000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010406900000000, -0.0094586500000000, -0.0015897000000000 ] - [ 0.0009702100000000, -0.0028384800000000, -0.0012743600000000 ] - [ 0.0014042300000000, -0.0009184300000000, 0.0012322200000000 ] - [ 0.0003099500000000, -0.0001509300000000, 0.0003568100000000 ] - [ -0.0007009400000000, -0.0020007100000000, 0.0008026200000000 ] - [ 0.0002695200000000, -0.0008127100000000, 0.0002894300000000 ] - [ -0.0037808000000000, -0.0143723800000000, 0.0072273700000000 ] - [ 0.0006502000000000, -0.0005648100000000, 0.0007209100000000 ] - [ 0.0004158800000000, -0.0008906700000000, -0.0005335800000000 ] - [ 0.0000037500000000, -0.0005161800000000, 0.0002180900000000 ] - [ 0.0030997000000000, -0.0113170400000000, 0.0028730000000000 ] - [ 0.0008811300000000, -0.0008144500000000, 0.0006856600000000 ] - [ -0.0001489100000000, -0.0014436300000000, -0.0014132300000000 ] - [ 0.0006257800000000, -0.0005969400000000, 0.0002891400000000 ] - [ -0.0021150600000000, -0.0091882300000000, -0.0032754700000000 ] - [ -0.0006847000000000, -0.0011013300000000, -0.0006246500000000 ] - [ -0.0007168300000000, -0.0075527500000000, 0.0010208700000000 ] - [ 0.0016226200000000, -0.0011309400000000, -0.0003257600000000 ] - [ 0.0008855100000000, -0.0006450000000000, 0.0008404500000000 ] - [ 0.0004595900000000, -0.0001672600000000, 0.0001393100000000 ] - [ -0.0006675100000000, 0.0024207600000000, -0.0002650500000000 ] - [ 0.0000792900000000, 0.0008836200000000, 0.0003349800000000 ] - [ -0.0004505400000000, 0.0006924200000000, 0.0006153100000000 ] - [ 0.0001938600000000, 0.0009033400000000, -0.0009698600000000 ] - [ -0.0003628600000000, 0.0000980100000000, 0.0005241500000000 ] - [ -0.0008828000000000, 0.0006574000000000, -0.0008136400000000 ] - [ 0.0000390500000000, 0.0030210900000000, 0.0008020700000000 ] - [ -0.0009994400000000, 0.0011020900000000, -0.0007463200000000 ] - [ 0.0004456100000000, 0.0008238300000000, 0.0003370000000000 ] - [ -0.0001535700000000, 0.0002656700000000, 0.0001635900000000 ] - [ -0.0015723400000000, 0.0033492000000000, -0.0000344100000000 ] - [ 0.0014134600000000, 0.0016722200000000, -0.0014834500000000 ] - [ -0.0006010100000000, 0.0001892500000000, 0.0000853700000000 ] - [ -0.0015580400000000, 0.0018383600000000, 0.0005731100000000 ] - [ -0.0003723000000000, 0.0014160200000000, 0.0005693200000000 ] - [ -0.0010445600000000, 0.0031939300000000, -0.0013535100000000 ] - [ 0.0009714600000000, 0.0016541600000000, 0.0017988600000000 ] - [ -0.0009817700000000, 0.0017942500000000, -0.0008709900000000 ] - [ 0.0000506500000000, 0.0010089200000000, 0.0001051400000000 ] - [ -0.0001643700000000, 0.0007178400000000, -0.0001971300000000 ] - [ -0.0231423200000000, -0.0461814100000000, -0.0246459800000000 ] - [ -0.0008513600000000, -0.0036376900000000, -0.0015295100000000 ] - [ -0.0022922300000000, -0.0019492300000000, 0.0027798300000000 ] - [ 0.0002924700000000, -0.0002157100000000, 0.0001655100000000 ] - [ 0.0012675300000000, 0.0063586300000000, -0.0017620500000000 ] - [ -0.0019340500000000, 0.0033438000000000, 0.0026807700000000 ] - [ -0.0011552800000000, 0.0024645500000000, -0.0007114200000000 ] - [ 0.0003615200000000, 0.0016663700000000, 0.0008245800000000 ] - [ -0.0143842000000000, -0.0107401300000000, 0.0015800800000000 ] - [ 0.0050599400000000, -0.0012187900000000, 0.0010210800000000 ] - [ 0.0018343400000000, -0.0059574700000000, -0.0126223500000000 ] - [ -0.0011064300000000, 0.0007992900000000, 0.0007418600000000 ] - [ 0.0336948400000000, 0.1143812900000000, 0.0314197700000000 ] - [ -0.0001921100000000, 0.0025510300000000, 0.0003165800000000 ] - [ 0.0004205000000000, 0.0024128500000000, -0.0001562100000000 ] - [ 0.0011725600000000, 0.0041166800000000, -0.0000345200000000 ] - [ 0.0001136200000000, 0.0072167300000000, -0.0005526100000000 ] - [ -0.0006598900000000, 0.0023612000000000, -0.0004255100000000 ] - [ -0.0000450000000000, 0.0024304700000000, -0.0018518400000000 ] - [ -0.0000686200000000, 0.0007793700000000, 0.0003764400000000 ] - [ -0.0002632300000000, -0.0025660500000000, -0.0080196800000000 ] - [ -0.0005706100000000, 0.0002335200000000, 0.0002564000000000 ] - [ 0.0008139100000000, -0.0001573100000000, -0.0013086100000000 ] - [ -0.0006003800000000, -0.0002021700000000, 0.0003824500000000 ] - [ -0.0050108200000000, -0.0045092800000000, -0.0005157500000000 ] - [ 0.0078427600000000, -0.0060156900000000, 0.0001131100000000 ] - [ -0.0001176000000000, -0.0042426500000000, 0.0043422200000000 ] - [ 0.0007337900000000, -0.0002319300000000, -0.0012804100000000 ] - [ 0.0006582400000000, -0.0044948600000000, -0.0005878700000000 ] - [ -0.0000825500000000, -0.0038815300000000, 0.0007058800000000 ] - [ -0.0001760500000000, -0.0016468100000000, -0.0002498600000000 ] - [ -0.0003189600000000, -0.0018217600000000, -0.0002060800000000 ] - [ -0.0004298300000000, -0.0026635300000000, -0.0002545700000000 ] - [ -0.0005193200000000, -0.0028813000000000, 0.0008870500000000 ] - [ -0.0000365100000000, -0.0020171200000000, -0.0000845200000000 ] - [ -0.0001960300000000, -0.0007563100000000, 0.0000082300000000 ] - [ 0.0015941000000000, -0.0026036800000000, 0.0036193000000000 ] - [ 0.0002517300000000, -0.0007102700000000, -0.0012761200000000 ] - [ 0.0007891500000000, -0.0006023300000000, -0.0011613100000000 ] - [ -0.0006213900000000, -0.0004316700000000, 0.0001819300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001331600000000, 0.0014160400000000, 0.0095442800000000 ] - [ 0.0022840800000000, 0.0010203300000000, 0.0012165300000000 ] - [ 0.0001250600000000, -0.0001107900000000, -0.0037688600000000 ] - [ 0.0000214900000000, 0.0007040000000000, -0.0005622700000000 ] - [ 0.0014454200000000, 0.0002972800000000, -0.0029356700000000 ] - [ 0.0011639500000000, 0.0004821500000000, -0.0010349100000000 ] - [ -0.0031373500000000, -0.0050594800000000, 0.0147621800000000 ] - [ 0.0004289100000000, -0.0001076200000000, 0.0010605200000000 ] - [ 0.0002344100000000, 0.0010138100000000, -0.0027159100000000 ] - [ 0.0000639000000000, -0.0003989500000000, -0.0005285300000000 ] - [ 0.0040755200000000, -0.0041660400000000, 0.0131827300000000 ] - [ -0.0004390400000000, -0.0003931600000000, 0.0008421100000000 ] - [ 0.0009452900000000, 0.0014340300000000, -0.0037609300000000 ] - [ 0.0004970300000000, -0.0006583000000000, -0.0006954800000000 ] - [ 0.0037949600000000, 0.0034695700000000, 0.0104154200000000 ] - [ -0.0012005000000000, 0.0014173600000000, 0.0025319800000000 ] - [ 0.0008406700000000, -0.0009285300000000, 0.0075926700000000 ] - [ 0.0008368700000000, 0.0001060200000000, 0.0014173500000000 ] - [ -0.0006691200000000, 0.0002609500000000, -0.0021572400000000 ] - [ -0.0008728400000000, 0.0013896200000000, -0.0025127000000000 ] - [ -0.0007014300000000, -0.0002121300000000, 0.0010659200000000 ] - [ -0.0003227000000000, -0.0003894000000000, 0.0001890400000000 ] - [ -0.0000216000000000, -0.0001053000000000, 0.0000051400000000 ] - [ -0.0000716100000000, 0.0003863500000000, -0.0013173600000000 ] - [ -0.0005080900000000, -0.0003882300000000, -0.0001391700000000 ] - [ -0.0006778000000000, -0.0004091200000000, -0.0013957800000000 ] - [ -0.0013241700000000, -0.0014263700000000, 0.0007487200000000 ] - [ -0.0006084200000000, 0.0003319300000000, 0.0007370700000000 ] - [ -0.0008721700000000, -0.0007855900000000, -0.0012390000000000 ] - [ 0.0000342900000000, -0.0000485000000000, -0.0004198700000000 ] - [ 0.0012166300000000, -0.0011672900000000, 0.0018792700000000 ] - [ -0.0003985800000000, 0.0000385000000000, 0.0007035400000000 ] - [ -0.0006583700000000, -0.0001520000000000, -0.0003091800000000 ] - [ 0.0004351700000000, -0.0017364500000000, -0.0017195100000000 ] - [ -0.0003382600000000, 0.0003462700000000, 0.0009325500000000 ] - [ 0.0002307000000000, 0.0007281300000000, 0.0006337000000000 ] - [ -0.0009731900000000, -0.0009719300000000, 0.0008516900000000 ] - [ -0.0007807000000000, 0.0007082000000000, 0.0002692900000000 ] - [ 0.0002793600000000, 0.0002900200000000, -0.0006364500000000 ] - [ -0.0002116200000000, 0.0002088200000000, -0.0005892500000000 ] - [ 0.0213429100000000, 0.0233062600000000, 0.0422294300000000 ] - [ -0.0025948400000000, 0.0011654300000000, 0.0025962100000000 ] - [ 0.0008312000000000, -0.0004973400000000, -0.0082250700000000 ] - [ 0.0002622800000000, 0.0016750500000000, -0.0021701100000000 ] - [ 0.0017022700000000, 0.0001142100000000, 0.0028965200000000 ] - [ 0.0003378800000000, -0.0014180700000000, 0.0011651900000000 ] - [ -0.0014018900000000, 0.0012099600000000, -0.0030061000000000 ] - [ -0.0005436200000000, -0.0001044900000000, -0.0010946700000000 ] - [ 0.0006792600000000, 0.0008175800000000, -0.0075993800000000 ] - [ 0.0001522500000000, -0.0003187100000000, -0.0024261200000000 ] - [ -0.0031335700000000, 0.0115465000000000, 0.0103977100000000 ] - [ -0.0003467100000000, -0.0008536500000000, -0.0005322300000000 ] - [ -0.0328853700000000, -0.0306231100000000, -0.1234891300000000 ] - [ 0.0007821600000000, -0.0000659500000000, -0.0018527200000000 ] - [ -0.0026197000000000, -0.0004042900000000, 0.0017399400000000 ] - [ -0.0065553100000000, -0.0000341500000000, 0.0096294000000000 ] - [ 0.0137330800000000, -0.0021198100000000, 0.0130949200000000 ] - [ 0.0050113600000000, -0.0005032700000000, 0.0013779900000000 ] - [ 0.0005394600000000, -0.0014324200000000, 0.0047392000000000 ] - [ 0.0000501800000000, 0.0000187800000000, 0.0026958200000000 ] - [ -0.0001259500000000, 0.0060842000000000, 0.0082933300000000 ] - [ 0.0002283600000000, -0.0012886200000000, -0.0001331600000000 ] - [ -0.0008333700000000, -0.0000048200000000, 0.0028970600000000 ] - [ 0.0005969900000000, -0.0004918200000000, 0.0024262700000000 ] - [ 0.0007199400000000, 0.0015404700000000, -0.0034929800000000 ] - [ -0.0005125200000000, 0.0007041400000000, -0.0027984500000000 ] - [ -0.0004059900000000, -0.0040377000000000, 0.0013752200000000 ] - [ 0.0005242500000000, 0.0008726200000000, -0.0005313300000000 ] - [ -0.0002517800000000, 0.0002411300000000, -0.0023652700000000 ] - [ -0.0000460500000000, 0.0003167600000000, -0.0004669200000000 ] - [ 0.0004482400000000, 0.0002312200000000, 0.0004870100000000 ] - [ 0.0004282900000000, 0.0005259000000000, 0.0001107500000000 ] - [ -0.0008156600000000, 0.0002240900000000, -0.0005298200000000 ] - [ -0.0012978700000000, 0.0003894600000000, -0.0002842000000000 ] - [ -0.0002389200000000, 0.0003152500000000, 0.0020135500000000 ] - [ -0.0000023500000000, 0.0003629800000000, 0.0011594800000000 ] - [ 0.0012573700000000, -0.0040512400000000, 0.0032275300000000 ] - [ 0.0008974300000000, 0.0005630700000000, -0.0001785500000000 ] - [ -0.0000813400000000, -0.0000459900000000, 0.0015850100000000 ] - [ 0.0001346500000000, -0.0003637900000000, 0.0028950600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008686100000000, -0.0021051600000000, -0.0094253400000000 ] - [ -0.0018187000000000, -0.0015539400000000, -0.0014951600000000 ] - [ 0.0005170400000000, 0.0006713300000000, 0.0029647100000000 ] - [ 0.0006076000000000, -0.0001506800000000, 0.0013718900000000 ] - [ -0.0007142800000000, -0.0008993000000000, 0.0022806600000000 ] - [ -0.0004218600000000, -0.0010773200000000, 0.0016981400000000 ] - [ 0.0040686300000000, 0.0049263600000000, -0.0144723400000000 ] - [ 0.0007909600000000, 0.0006170200000000, -0.0007370600000000 ] - [ -0.0000632000000000, -0.0011837000000000, 0.0024067900000000 ] - [ 0.0000941700000000, 0.0002192300000000, 0.0008284900000000 ] - [ -0.0041297000000000, 0.0047288300000000, -0.0137074800000000 ] - [ 0.0006009300000000, 0.0005741500000000, -0.0005377700000000 ] - [ 0.0002842000000000, -0.0019536900000000, 0.0034426300000000 ] - [ 0.0007344600000000, 0.0001521500000000, 0.0010253300000000 ] - [ -0.0026789300000000, -0.0025897100000000, -0.0108449400000000 ] - [ 0.0019362700000000, -0.0008133800000000, -0.0018884100000000 ] - [ -0.0004222900000000, 0.0006199200000000, -0.0081827900000000 ] - [ -0.0001933200000000, -0.0006627000000000, -0.0006028600000000 ] - [ 0.0011255600000000, 0.0002721100000000, 0.0024488500000000 ] - [ 0.0013419200000000, -0.0008463200000000, 0.0022166100000000 ] - [ 0.0002407300000000, -0.0003220000000000, -0.0007701300000000 ] - [ -0.0001528000000000, -0.0001557500000000, -0.0004727600000000 ] - [ -0.0006157300000000, 0.0006582200000000, 0.0008146200000000 ] - [ -0.0005734700000000, 0.0001746100000000, 0.0004969600000000 ] - [ -0.0002334700000000, -0.0002189800000000, 0.0007954600000000 ] - [ -0.0000484400000000, -0.0001958000000000, 0.0007292700000000 ] - [ 0.0001058500000000, 0.0019330200000000, -0.0010718700000000 ] - [ -0.0006152900000000, 0.0001736600000000, -0.0004153300000000 ] - [ 0.0007021800000000, 0.0006063300000000, 0.0009399800000000 ] - [ -0.0002011600000000, -0.0001321300000000, 0.0007174800000000 ] - [ -0.0013893500000000, 0.0013401500000000, -0.0021882800000000 ] - [ 0.0002298400000000, 0.0001370100000000, -0.0003974400000000 ] - [ -0.0005600100000000, -0.0003531900000000, 0.0006412400000000 ] - [ -0.0016576700000000, 0.0012267700000000, 0.0013902900000000 ] - [ -0.0003968900000000, 0.0002530300000000, -0.0002772100000000 ] - [ -0.0009511800000000, -0.0001270000000000, -0.0012857500000000 ] - [ 0.0003266800000000, 0.0004070500000000, -0.0000495500000000 ] - [ 0.0001316500000000, -0.0012724700000000, -0.0010854000000000 ] - [ -0.0007425600000000, 0.0002479400000000, 0.0009331300000000 ] - [ -0.0002645800000000, 0.0003347000000000, 0.0002942800000000 ] - [ -0.0225079500000000, -0.0258882200000000, -0.0435038300000000 ] - [ 0.0026092100000000, -0.0023775500000000, -0.0020654200000000 ] - [ -0.0008027600000000, 0.0017098000000000, 0.0076924700000000 ] - [ -0.0002481600000000, -0.0004522700000000, 0.0026797200000000 ] - [ -0.0017158800000000, -0.0013342400000000, -0.0034258600000000 ] - [ -0.0003603900000000, 0.0001887700000000, -0.0006343400000000 ] - [ 0.0013838500000000, 0.0000254800000000, 0.0024955600000000 ] - [ 0.0005311400000000, 0.0013312800000000, 0.0015977800000000 ] - [ -0.0006743900000000, -0.0001168800000000, 0.0064712700000000 ] - [ -0.0002014100000000, 0.0009950400000000, 0.0035837500000000 ] - [ 0.0021828100000000, -0.0113604100000000, -0.0098231500000000 ] - [ -0.0006478000000000, 0.0011867100000000, -0.0001742300000000 ] - [ 0.0345589500000000, 0.0317994400000000, 0.1230878000000000 ] - [ -0.0005516100000000, -0.0000658700000000, 0.0025017200000000 ] - [ 0.0032451800000000, 0.0006400800000000, -0.0021404100000000 ] - [ 0.0070893900000000, 0.0002638900000000, -0.0091868000000000 ] - [ -0.0133155400000000, 0.0019267200000000, -0.0128346700000000 ] - [ -0.0043702600000000, 0.0002599700000000, -0.0017912500000000 ] - [ -0.0003015600000000, 0.0015518500000000, -0.0053670800000000 ] - [ 0.0001794000000000, 0.0001060800000000, -0.0020458600000000 ] - [ -0.0008610300000000, -0.0063531000000000, -0.0075720600000000 ] - [ -0.0012246700000000, 0.0009536300000000, -0.0005554500000000 ] - [ 0.0007866700000000, -0.0006366000000000, -0.0040331200000000 ] - [ -0.0006248500000000, -0.0001683500000000, -0.0012702800000000 ] - [ -0.0006797300000000, -0.0009295100000000, 0.0023656400000000 ] - [ 0.0005934000000000, -0.0000982500000000, 0.0039296200000000 ] - [ 0.0013689500000000, 0.0043769400000000, -0.0007049800000000 ] - [ 0.0004554400000000, -0.0005405200000000, -0.0001545500000000 ] - [ -0.0000036200000000, -0.0003416000000000, 0.0017481500000000 ] - [ -0.0001913500000000, -0.0004208600000000, 0.0010989800000000 ] - [ -0.0010381300000000, -0.0000226300000000, -0.0001205400000000 ] - [ -0.0010435800000000, -0.0002867000000000, -0.0005070200000000 ] - [ 0.0002124400000000, -0.0004399000000000, 0.0001323500000000 ] - [ 0.0007036500000000, -0.0006030400000000, 0.0006655900000000 ] - [ -0.0000139200000000, -0.0002153600000000, -0.0026332600000000 ] - [ -0.0002291400000000, -0.0002379000000000, -0.0005152300000000 ] - [ -0.0002882500000000, 0.0037101000000000, -0.0025690600000000 ] - [ 0.0000969700000000, -0.0009041000000000, -0.0005046600000000 ] - [ 0.0001401100000000, -0.0005918300000000, -0.0027081000000000 ] - [ -0.0001039300000000, -0.0003004100000000, -0.0017381700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0128612400000000, 0.0028776700000000, -0.0061731000000000 ] - [ -0.0009602500000000, 0.0001048400000000, -0.0002004800000000 ] - [ -0.0019013000000000, 0.0000913800000000, -0.0011233000000000 ] - [ 0.0021316200000000, 0.0013940700000000, 0.0010705600000000 ] - [ 0.0117002700000000, 0.0020146600000000, 0.0023498100000000 ] - [ -0.0014071600000000, 0.0006521800000000, 0.0012744700000000 ] - [ 0.0003528900000000, -0.0000783600000000, 0.0003638700000000 ] - [ 0.0093827000000000, -0.0001311000000000, 0.0005014600000000 ] - [ -0.0006158700000000, -0.0006975600000000, -0.0005168500000000 ] - [ 0.0085140900000000, 0.0009435100000000, 0.0004586900000000 ] - [ -0.0019716600000000, 0.0008051700000000, 0.0004763100000000 ] - [ 0.0009775100000000, -0.0006540300000000, -0.0000988200000000 ] - [ -0.0033086400000000, 0.0013986500000000, -0.0012700400000000 ] - [ 0.0016091900000000, -0.0015585600000000, 0.0012545000000000 ] - [ 0.0009823700000000, 0.0005258300000000, 0.0007210800000000 ] - [ -0.0025636800000000, 0.0003770200000000, -0.0012054800000000 ] - [ -0.0004056900000000, 0.0001731900000000, -0.0001140600000000 ] - [ 0.0097122100000000, 0.0007091200000000, 0.0007046500000000 ] - [ 0.0012305600000000, 0.0006877500000000, -0.0011238800000000 ] - [ -0.0033186900000000, 0.0001823600000000, 0.0002503500000000 ] - [ -0.0013452500000000, -0.0002246900000000, 0.0004017300000000 ] - [ 0.0003639300000000, -0.0002189300000000, -0.0001085900000000 ] - [ -0.0007284000000000, 0.0001740100000000, 0.0006090600000000 ] - [ 0.0004097300000000, 0.0012246800000000, -0.0010840600000000 ] - [ 0.0002262600000000, -0.0004037300000000, 0.0005498100000000 ] - [ -0.0013177000000000, -0.0000956600000000, -0.0007970600000000 ] - [ -0.0006336300000000, 0.0002967100000000, 0.0000313300000000 ] - [ -0.0013824200000000, -0.0010834700000000, -0.0013679300000000 ] - [ 0.0000540800000000, -0.0000677900000000, -0.0001708100000000 ] - [ -0.0014133700000000, -0.0011296800000000, 0.0015184300000000 ] - [ 0.0006771900000000, -0.0011756400000000, 0.0007818200000000 ] - [ -0.0005278800000000, 0.0000556700000000, 0.0002442400000000 ] - [ -0.0007554400000000, -0.0000891100000000, 0.0003404800000000 ] - [ -0.0001909600000000, -0.0016248000000000, -0.0009862600000000 ] - [ 0.0007068400000000, 0.0005689800000000, -0.0002005900000000 ] - [ -0.0006943100000000, 0.0001298000000000, -0.0000763700000000 ] - [ -0.0013875600000000, -0.0003505500000000, -0.0002399200000000 ] - [ -0.0000747200000000, -0.0002704000000000, -0.0002333000000000 ] - [ -0.0006927300000000, 0.0002691900000000, 0.0001990000000000 ] - [ 0.0010551300000000, 0.0003814700000000, 0.0002015100000000 ] - [ -0.0056266600000000, 0.0001761300000000, 0.0016710300000000 ] - [ 0.0030510300000000, 0.0014356500000000, -0.0002518100000000 ] - [ -0.0026504400000000, 0.0024926300000000, -0.0014079400000000 ] - [ 0.0352281500000000, 0.0300900700000000, -0.0274896400000000 ] - [ 0.0018591700000000, 0.0016278900000000, 0.0010520700000000 ] - [ -0.0006922500000000, -0.0008342000000000, 0.0000150500000000 ] - [ 0.0000791000000000, 0.0002293400000000, -0.0006925100000000 ] - [ -0.0026056700000000, 0.0013280700000000, 0.0016324400000000 ] - [ 0.0022070900000000, 0.0009141800000000, -0.0016196500000000 ] - [ -0.0032249900000000, 0.0005891800000000, -0.0009393000000000 ] - [ 0.0076136600000000, 0.0068386800000000, -0.0013426400000000 ] - [ -0.0006813600000000, -0.0009575200000000, -0.0008946000000000 ] - [ 0.0030039200000000, -0.0001421600000000, -0.0032835200000000 ] - [ 0.0012332700000000, -0.0008311800000000, 0.0071409700000000 ] - [ -0.1031541300000000, -0.0518862500000000, 0.0366782200000000 ] - [ 0.0024902800000000, 0.0002634300000000, 0.0004649400000000 ] - [ 0.0047915700000000, -0.0014374600000000, 0.0008935500000000 ] - [ -0.0016523500000000, -0.0000841800000000, -0.0004457600000000 ] - [ 0.0044398500000000, -0.0008827700000000, 0.0042848000000000 ] - [ 0.0061333500000000, -0.0001843100000000, -0.0132561500000000 ] - [ -0.0004887300000000, -0.0007867400000000, 0.0005398700000000 ] - [ 0.0096696600000000, 0.0144653800000000, 0.0004882600000000 ] - [ 0.0026659300000000, -0.0009261800000000, -0.0012936400000000 ] - [ -0.0039139600000000, -0.0007218100000000, 0.0014883400000000 ] - [ -0.0022180300000000, -0.0003354100000000, -0.0016626800000000 ] - [ 0.0017711300000000, 0.0002121600000000, 0.0010830700000000 ] - [ 0.0026954000000000, -0.0037124300000000, -0.0003111000000000 ] - [ 0.0004010000000000, 0.0008303300000000, -0.0006456600000000 ] - [ -0.0000331900000000, -0.0000541300000000, -0.0011207900000000 ] - [ -0.0000662300000000, 0.0001623400000000, 0.0010551700000000 ] - [ -0.0008373500000000, 0.0003084700000000, 0.0002940500000000 ] - [ 0.0023484400000000, 0.0006018800000000, 0.0000693400000000 ] - [ 0.0002787400000000, -0.0000023000000000, -0.0003054400000000 ] - [ -0.0023743800000000, -0.0000986800000000, 0.0005178500000000 ] - [ 0.0000641000000000, 0.0001167000000000, 0.0001833500000000 ] - [ -0.0000940600000000, 0.0002232300000000, -0.0006787700000000 ] - [ 0.0006738800000000, 0.0000272200000000, 0.0003048400000000 ] - [ 0.0029964900000000, -0.0058924600000000, -0.0007399600000000 ] - [ -0.0027741100000000, 0.0008752700000000, 0.0009157500000000 ] - [ 0.0020421600000000, -0.0002219000000000, 0.0003963000000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0127101900000000, -0.0036697600000000, 0.0070401300000000 ] - [ 0.0014405800000000, -0.0006421700000000, -0.0001149000000000 ] - [ 0.0025452400000000, 0.0004622800000000, 0.0003571100000000 ] - [ -0.0014934800000000, -0.0008437500000000, -0.0003014600000000 ] - [ -0.0114374700000000, -0.0029704400000000, -0.0034749900000000 ] - [ 0.0021441300000000, -0.0012613100000000, -0.0006044300000000 ] - [ 0.0009069600000000, 0.0006012200000000, -0.0007172700000000 ] - [ -0.0078793900000000, 0.0003983900000000, 0.0000925000000000 ] - [ 0.0008120900000000, 0.0005327000000000, 0.0002352900000000 ] - [ -0.0082016900000000, -0.0012928500000000, -0.0003243900000000 ] - [ 0.0021760200000000, -0.0006624200000000, -0.0007439100000000 ] - [ -0.0007775600000000, 0.0008223700000000, 0.0003846900000000 ] - [ 0.0045788700000000, -0.0019396800000000, 0.0009383300000000 ] - [ -0.0003560800000000, 0.0010369400000000, -0.0009195600000000 ] - [ -0.0002767400000000, 0.0000578200000000, -0.0014079700000000 ] - [ 0.0032919200000000, 0.0002067100000000, 0.0018738700000000 ] - [ 0.0010454500000000, -0.0007340000000000, -0.0006720300000000 ] - [ -0.0090544300000000, -0.0011859900000000, 0.0001532600000000 ] - [ -0.0007712300000000, -0.0001668200000000, 0.0014353200000000 ] - [ 0.0037882600000000, 0.0003352700000000, -0.0005466800000000 ] - [ 0.0008810800000000, -0.0002932500000000, -0.0000820900000000 ] - [ -0.0008310600000000, -0.0003063500000000, -0.0002021900000000 ] - [ 0.0000955300000000, 0.0003768000000000, 0.0001608700000000 ] - [ -0.0010532100000000, -0.0006662500000000, 0.0003181300000000 ] - [ -0.0009461400000000, -0.0001899700000000, 0.0001174800000000 ] - [ 0.0005914300000000, -0.0004968500000000, 0.0001226800000000 ] - [ -0.0006170200000000, 0.0002275700000000, -0.0003776300000000 ] - [ 0.0001354300000000, 0.0016181700000000, 0.0017147400000000 ] - [ -0.0002587800000000, -0.0000937100000000, -0.0001080200000000 ] - [ 0.0012276600000000, 0.0009720300000000, -0.0012399500000000 ] - [ -0.0008722200000000, 0.0013507900000000, -0.0010677900000000 ] - [ 0.0003370400000000, 0.0001174900000000, 0.0000287800000000 ] - [ -0.0004910400000000, -0.0004224900000000, -0.0000025100000000 ] - [ -0.0010678200000000, 0.0011155300000000, 0.0006562300000000 ] - [ -0.0014332100000000, 0.0000337700000000, 0.0008813200000000 ] - [ -0.0000308400000000, 0.0004777200000000, -0.0005970800000000 ] - [ 0.0007538000000000, -0.0002021100000000, 0.0010150300000000 ] - [ -0.0005550300000000, -0.0002785500000000, -0.0005480900000000 ] - [ 0.0002272500000000, 0.0002624300000000, 0.0001165400000000 ] - [ -0.0015185100000000, 0.0001593000000000, -0.0005072100000000 ] - [ 0.0056918300000000, -0.0013594200000000, -0.0022043500000000 ] - [ -0.0030242300000000, -0.0026457400000000, 0.0007663900000000 ] - [ 0.0027009000000000, -0.0013199000000000, 0.0009036100000000 ] - [ -0.0352349400000000, -0.0281201900000000, 0.0272491900000000 ] - [ -0.0019190700000000, -0.0028132100000000, -0.0015697600000000 ] - [ 0.0006654900000000, -0.0003576300000000, 0.0004909800000000 ] - [ -0.0001161200000000, 0.0009736800000000, 0.0001742400000000 ] - [ 0.0025870200000000, -0.0001221300000000, -0.0011163900000000 ] - [ -0.0022227300000000, -0.0002468900000000, 0.0003456600000000 ] - [ 0.0032046800000000, 0.0000417000000000, 0.0021596700000000 ] - [ -0.0087768600000000, -0.0065069200000000, 0.0021006300000000 ] - [ -0.0003781700000000, 0.0013494100000000, 0.0001954900000000 ] - [ -0.0028854800000000, 0.0000234300000000, 0.0026250900000000 ] - [ -0.0010582000000000, 0.0007368500000000, -0.0064851500000000 ] - [ 0.1041544000000000, 0.0523626500000000, -0.0366178700000000 ] - [ -0.0018182800000000, 0.0001036000000000, 0.0000184600000000 ] - [ -0.0041391400000000, 0.0010985200000000, -0.0004174200000000 ] - [ 0.0022960300000000, -0.0002152800000000, 0.0000414900000000 ] - [ -0.0042985300000000, 0.0010356600000000, -0.0050255400000000 ] - [ -0.0059399000000000, 0.0003122200000000, 0.0137840700000000 ] - [ -0.0006270100000000, 0.0003575300000000, 0.0002330300000000 ] - [ -0.0107020500000000, -0.0147039800000000, -0.0011951300000000 ] - [ -0.0026743200000000, 0.0002396400000000, 0.0000036600000000 ] - [ 0.0039073800000000, 0.0000272700000000, -0.0002175500000000 ] - [ 0.0022342800000000, 0.0009926200000000, 0.0003576000000000 ] - [ -0.0017271500000000, 0.0004105400000000, 0.0001396900000000 ] - [ -0.0015731700000000, 0.0041602700000000, 0.0010738300000000 ] - [ 0.0006546200000000, -0.0004461100000000, -0.0000279200000000 ] - [ -0.0001080200000000, -0.0000865500000000, 0.0004253700000000 ] - [ -0.0001256800000000, -0.0002497800000000, -0.0004202600000000 ] - [ 0.0002011900000000, -0.0000122500000000, 0.0001449400000000 ] - [ -0.0030018600000000, -0.0002828700000000, -0.0004968900000000 ] - [ -0.0009189700000000, -0.0003017100000000, -0.0001078100000000 ] - [ 0.0017107600000000, -0.0002545400000000, -0.0000576800000000 ] - [ -0.0002473300000000, -0.0000331000000000, -0.0008298000000000 ] - [ -0.0001081600000000, -0.0001272200000000, 0.0013198300000000 ] - [ 0.0003789300000000, -0.0004239400000000, 0.0004075300000000 ] - [ -0.0019368800000000, 0.0054609900000000, 0.0000438200000000 ] - [ 0.0028380400000000, -0.0014827000000000, -0.0021049900000000 ] - [ -0.0020088700000000, -0.0004211000000000, 0.0008080800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033673300000000, 0.0085337700000000, -0.0036108400000000 ] - [ 0.0003351800000000, 0.0001128900000000, 0.0000402700000000 ] - [ -0.0002982900000000, 0.0010881100000000, -0.0011092300000000 ] - [ 0.0011921700000000, 0.0014285300000000, -0.0005236200000000 ] - [ 0.0016786500000000, 0.0085068300000000, 0.0010597200000000 ] - [ 0.0001670300000000, 0.0003216100000000, 0.0005448100000000 ] - [ 0.0003943400000000, 0.0006531000000000, 0.0000637200000000 ] - [ 0.0009902100000000, 0.0072499300000000, 0.0010291600000000 ] - [ -0.0001566700000000, 0.0003586300000000, -0.0002592200000000 ] - [ 0.0013726200000000, 0.0051567600000000, -0.0023083600000000 ] - [ 0.0005057900000000, 0.0008642000000000, -0.0006199500000000 ] - [ -0.0002694600000000, 0.0008204700000000, -0.0003921300000000 ] - [ 0.0017444300000000, 0.0006299800000000, 0.0001476000000000 ] - [ -0.0001200600000000, 0.0006934700000000, 0.0016034600000000 ] - [ 0.0006303100000000, 0.0012276700000000, -0.0005111800000000 ] - [ -0.0008171500000000, 0.0023770200000000, -0.0013873000000000 ] - [ 0.0002811200000000, 0.0000994300000000, -0.0003261300000000 ] - [ 0.0024729600000000, 0.0095041000000000, 0.0006986200000000 ] - [ 0.0009163300000000, 0.0020317400000000, 0.0009179600000000 ] - [ -0.0012129600000000, 0.0022710300000000, 0.0005844500000000 ] - [ -0.0000236900000000, -0.0010920400000000, -0.0000893800000000 ] - [ -0.0003170900000000, -0.0011853600000000, -0.0003426400000000 ] - [ -0.0004835500000000, -0.0001550700000000, 0.0005606600000000 ] - [ 0.0008139900000000, -0.0022808700000000, -0.0004401100000000 ] - [ -0.0012558500000000, -0.0021409100000000, 0.0010965500000000 ] - [ -0.0002322600000000, -0.0010978600000000, 0.0000837000000000 ] - [ -0.0003369700000000, -0.0003239800000000, -0.0004078800000000 ] - [ -0.0013841800000000, -0.0022780100000000, -0.0013624500000000 ] - [ 0.0013961000000000, -0.0013823700000000, 0.0007068900000000 ] - [ -0.0014067200000000, -0.0021674300000000, 0.0016766400000000 ] - [ -0.0009494700000000, -0.0022424800000000, 0.0005803000000000 ] - [ 0.0000239000000000, -0.0003561400000000, 0.0003276700000000 ] - [ -0.0004407000000000, -0.0006315100000000, 0.0000516100000000 ] - [ -0.0013909800000000, -0.0025003800000000, -0.0003415600000000 ] - [ -0.0001524500000000, -0.0021359000000000, 0.0009634200000000 ] - [ -0.0004340100000000, -0.0001754900000000, -0.0003406100000000 ] - [ 0.0001311400000000, -0.0011623500000000, 0.0010983300000000 ] - [ -0.0007993700000000, -0.0011404200000000, -0.0000996800000000 ] - [ -0.0003900200000000, -0.0001353400000000, 0.0001222100000000 ] - [ -0.0001674100000000, -0.0026042500000000, -0.0005110400000000 ] - [ -0.0020502600000000, 0.0022860200000000, 0.0015955500000000 ] - [ 0.0019424600000000, 0.0022564900000000, 0.0030190900000000 ] - [ -0.0000505700000000, 0.0016700900000000, -0.0000075900000000 ] - [ 0.0265745600000000, 0.0628698100000000, -0.0396357100000000 ] - [ 0.0006449500000000, -0.0053002900000000, -0.0012608100000000 ] - [ -0.0000901800000000, -0.0016847800000000, 0.0000592400000000 ] - [ -0.0021460100000000, -0.0026414200000000, -0.0020369600000000 ] - [ 0.0021049400000000, -0.0025263700000000, -0.0023290300000000 ] - [ 0.0003149000000000, 0.0002806300000000, -0.0016254400000000 ] - [ -0.0001752500000000, 0.0031847100000000, -0.0064430800000000 ] - [ 0.0076095300000000, 0.0024238500000000, -0.0012252400000000 ] - [ -0.0012838400000000, -0.0002952300000000, -0.0008676400000000 ] - [ 0.0003651300000000, -0.0022871200000000, -0.0008867700000000 ] - [ -0.0007127500000000, -0.0039556500000000, 0.0004433200000000 ] - [ -0.0528456000000000, -0.1195727500000000, 0.0485865700000000 ] - [ 0.0003697100000000, -0.0005881700000000, -0.0001211000000000 ] - [ 0.0015906700000000, -0.0031224300000000, 0.0008716800000000 ] - [ 0.0002610600000000, -0.0022036400000000, -0.0011613900000000 ] - [ 0.0002806600000000, -0.0024914500000000, 0.0000620100000000 ] - [ 0.0014408300000000, -0.0073132100000000, -0.0016467300000000 ] - [ -0.0012146800000000, -0.0005931800000000, 0.0000085100000000 ] - [ 0.0165098900000000, 0.0098946700000000, 0.0010940600000000 ] - [ 0.0009472400000000, -0.0005011500000000, -0.0016914300000000 ] - [ -0.0006437000000000, 0.0050248600000000, -0.0080893200000000 ] - [ -0.0009066200000000, 0.0025286800000000, 0.0020007800000000 ] - [ 0.0004309400000000, 0.0005588600000000, 0.0017713700000000 ] - [ -0.0015322700000000, 0.0029480200000000, 0.0012934600000000 ] - [ 0.0013240400000000, 0.0006632300000000, -0.0010071100000000 ] - [ -0.0001677500000000, 0.0019168200000000, 0.0000524900000000 ] - [ -0.0002389600000000, 0.0017869700000000, 0.0002236600000000 ] - [ -0.0004946100000000, 0.0029576800000000, 0.0005109800000000 ] - [ -0.0007537300000000, 0.0038036000000000, -0.0005372000000000 ] - [ -0.0001915300000000, 0.0005804600000000, -0.0001403900000000 ] - [ -0.0002370600000000, 0.0036135400000000, 0.0000502100000000 ] - [ 0.0003387300000000, 0.0025470700000000, -0.0006838700000000 ] - [ 0.0001980000000000, 0.0027774100000000, 0.0008012300000000 ] - [ 0.0013609600000000, 0.0001579500000000, 0.0007379800000000 ] - [ -0.0063985100000000, 0.0064472900000000, 0.0011077200000000 ] - [ 0.0022130900000000, 0.0054262900000000, 0.0066576200000000 ] - [ -0.0000627000000000, -0.0002692600000000, 0.0014748400000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030031200000000, -0.0090398500000000, 0.0040510600000000 ] - [ 0.0001444500000000, -0.0006376900000000, -0.0003494500000000 ] - [ 0.0009401400000000, -0.0005299300000000, 0.0003249700000000 ] - [ -0.0005597500000000, -0.0008755300000000, 0.0013039600000000 ] - [ -0.0011271900000000, -0.0091515700000000, -0.0018816900000000 ] - [ 0.0005795400000000, -0.0009478300000000, 0.0001063000000000 ] - [ 0.0008383800000000, -0.0001374200000000, -0.0003988600000000 ] - [ 0.0004772500000000, -0.0069028200000000, -0.0005084800000000 ] - [ 0.0003347600000000, -0.0005386800000000, -0.0000310200000000 ] - [ -0.0009533600000000, -0.0056159700000000, 0.0023367100000000 ] - [ -0.0003218300000000, -0.0006945400000000, 0.0003342700000000 ] - [ 0.0004498100000000, -0.0006410600000000, 0.0006826800000000 ] - [ -0.0005127300000000, -0.0011422600000000, -0.0004836900000000 ] - [ 0.0013420300000000, -0.0012026900000000, -0.0012656800000000 ] - [ 0.0000918000000000, -0.0006160900000000, -0.0001515000000000 ] - [ 0.0015541000000000, -0.0017624900000000, 0.0020488100000000 ] - [ 0.0003656100000000, -0.0006651900000000, -0.0004598200000000 ] - [ -0.0016368800000000, -0.0097408400000000, 0.0004032800000000 ] - [ -0.0004436900000000, -0.0015056500000000, -0.0006115900000000 ] - [ 0.0016885700000000, -0.0017358600000000, -0.0008856000000000 ] - [ -0.0004441800000000, 0.0005717200000000, 0.0003983300000000 ] - [ -0.0001516100000000, 0.0006677300000000, 0.0000280200000000 ] - [ -0.0001631700000000, 0.0007195500000000, 0.0002221200000000 ] - [ -0.0014494500000000, 0.0028325400000000, -0.0003290400000000 ] - [ 0.0005214500000000, 0.0015351000000000, -0.0004302900000000 ] - [ -0.0005022800000000, 0.0004914100000000, -0.0007483100000000 ] - [ -0.0008991400000000, 0.0008376400000000, 0.0000736000000000 ] - [ 0.0001533100000000, 0.0027982800000000, 0.0017014400000000 ] - [ -0.0015710000000000, 0.0012101400000000, -0.0010005500000000 ] - [ 0.0012286000000000, 0.0019895300000000, -0.0013846100000000 ] - [ 0.0007814000000000, 0.0024229400000000, -0.0008750100000000 ] - [ -0.0002024300000000, 0.0005322700000000, -0.0000412000000000 ] - [ -0.0007988500000000, 0.0001227500000000, 0.0002834300000000 ] - [ 0.0001654200000000, 0.0019919000000000, 0.0000060500000000 ] - [ -0.0005898000000000, 0.0027554400000000, -0.0003055500000000 ] - [ -0.0002963800000000, 0.0007905800000000, -0.0003269300000000 ] - [ -0.0007718600000000, 0.0005978600000000, -0.0003207000000000 ] - [ 0.0001566500000000, 0.0005748800000000, -0.0006861900000000 ] - [ -0.0000709600000000, 0.0006639500000000, 0.0001960800000000 ] - [ -0.0003059300000000, 0.0031375100000000, 0.0002027400000000 ] - [ 0.0020728400000000, -0.0034894000000000, -0.0021155500000000 ] - [ -0.0019315800000000, -0.0034860000000000, -0.0024963600000000 ] - [ 0.0000835700000000, -0.0004711500000000, -0.0005069300000000 ] - [ -0.0250399600000000, -0.0600783800000000, 0.0379417100000000 ] - [ -0.0006685500000000, 0.0040905100000000, 0.0007234900000000 ] - [ 0.0000490500000000, 0.0005012200000000, 0.0004546800000000 ] - [ 0.0021222600000000, 0.0038425200000000, 0.0015187600000000 ] - [ -0.0021445300000000, 0.0037276900000000, 0.0028548000000000 ] - [ -0.0003267400000000, 0.0003954600000000, 0.0003703800000000 ] - [ 0.0001254600000000, -0.0025587900000000, 0.0077120400000000 ] - [ -0.0087402400000000, -0.0020067600000000, 0.0019741800000000 ] - [ 0.0002305900000000, 0.0006968000000000, 0.0001670700000000 ] - [ -0.0002008800000000, 0.0021727100000000, 0.0002004300000000 ] - [ 0.0008724000000000, 0.0038794900000000, 0.0001477100000000 ] - [ 0.0514485300000000, 0.1184008400000000, -0.0469919100000000 ] - [ 0.0002742300000000, 0.0008811600000000, 0.0005378200000000 ] - [ -0.0009238100000000, 0.0027895100000000, -0.0003989200000000 ] - [ 0.0003924300000000, 0.0019105500000000, 0.0007521800000000 ] - [ -0.0000618600000000, 0.0025673800000000, -0.0006866300000000 ] - [ -0.0013285200000000, 0.0074283500000000, 0.0023723500000000 ] - [ 0.0001652100000000, 0.0002085300000000, 0.0006811200000000 ] - [ -0.0173729700000000, -0.0102244000000000, -0.0017864800000000 ] - [ -0.0009975900000000, -0.0001372100000000, 0.0004714400000000 ] - [ 0.0006213000000000, -0.0056422900000000, 0.0092244500000000 ] - [ 0.0009242200000000, -0.0018741000000000, -0.0032476200000000 ] - [ -0.0004135300000000, 0.0001082400000000, -0.0005117500000000 ] - [ 0.0026012300000000, -0.0025355600000000, -0.0005492000000000 ] - [ -0.0002279600000000, -0.0002594200000000, 0.0002780500000000 ] - [ 0.0000025000000000, -0.0020412500000000, -0.0007186000000000 ] - [ 0.0000855700000000, -0.0019262600000000, 0.0004482700000000 ] - [ -0.0001717000000000, -0.0026358600000000, -0.0000594500000000 ] - [ 0.0001131600000000, -0.0035171900000000, 0.0001224300000000 ] - [ -0.0004732000000000, -0.0009189700000000, -0.0003178100000000 ] - [ -0.0004342800000000, -0.0039478800000000, 0.0004100800000000 ] - [ -0.0005051100000000, -0.0024250300000000, 0.0000147700000000 ] - [ -0.0003881600000000, -0.0026926800000000, -0.0001737700000000 ] - [ -0.0002841800000000, -0.0005621400000000, 0.0000044300000000 ] - [ 0.0075122900000000, -0.0068669600000000, -0.0018273500000000 ] - [ -0.0022074000000000, -0.0060952600000000, -0.0079469500000000 ] - [ 0.0001082500000000, -0.0003678000000000, -0.0002754800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0066013400000000, -0.0045517000000000, 0.0149088800000000 ] - [ -0.0007448900000000, 0.0001421600000000, -0.0016543400000000 ] - [ 0.0003465700000000, -0.0001889500000000, 0.0008919200000000 ] - [ -0.0001138600000000, -0.0009917100000000, -0.0028641400000000 ] - [ 0.0043629500000000, 0.0026090300000000, 0.0115701400000000 ] - [ 0.0017663600000000, -0.0020496600000000, -0.0016594400000000 ] - [ 0.0008983900000000, 0.0004720700000000, -0.0014130500000000 ] - [ 0.0004077200000000, 0.0011957600000000, 0.0085473800000000 ] - [ -0.0000765600000000, -0.0004982000000000, -0.0007326600000000 ] - [ -0.0005832100000000, -0.0013052200000000, 0.0092766400000000 ] - [ 0.0010443600000000, -0.0005194700000000, 0.0002543600000000 ] - [ -0.0000440000000000, -0.0009179600000000, -0.0021755500000000 ] - [ 0.0000604100000000, 0.0000588900000000, 0.0013982900000000 ] - [ 0.0004035700000000, 0.0004533100000000, -0.0031171500000000 ] - [ 0.0010809100000000, -0.0002455700000000, -0.0027546700000000 ] - [ -0.0011139300000000, -0.0010973700000000, 0.0016706400000000 ] - [ 0.0004772500000000, -0.0006841500000000, -0.0014599500000000 ] - [ 0.0003252200000000, -0.0016312900000000, 0.0078574900000000 ] - [ -0.0007495000000000, 0.0000995200000000, -0.0027045600000000 ] - [ 0.0019931200000000, 0.0008828100000000, 0.0020955200000000 ] - [ 0.0000586500000000, -0.0002538700000000, 0.0004083000000000 ] - [ -0.0005953800000000, -0.0004475800000000, -0.0012734200000000 ] - [ -0.0001931800000000, 0.0007139000000000, -0.0001352900000000 ] - [ -0.0012741900000000, 0.0012115500000000, 0.0015890000000000 ] - [ 0.0007890400000000, 0.0007685900000000, -0.0008732700000000 ] - [ -0.0002921600000000, -0.0002700000000000, 0.0004856300000000 ] - [ -0.0002456800000000, 0.0000454000000000, -0.0013882800000000 ] - [ -0.0007362600000000, 0.0003745400000000, 0.0008476400000000 ] - [ -0.0014847400000000, 0.0006072000000000, -0.0013482000000000 ] - [ 0.0004720000000000, 0.0006300100000000, 0.0005962600000000 ] - [ 0.0008153300000000, 0.0015388100000000, 0.0004102000000000 ] - [ -0.0003043200000000, 0.0004850700000000, -0.0003774100000000 ] - [ -0.0004403100000000, -0.0002797000000000, -0.0005064400000000 ] - [ -0.0011117900000000, -0.0003979600000000, 0.0013354500000000 ] - [ -0.0011332300000000, 0.0014871400000000, 0.0011326100000000 ] - [ -0.0003287600000000, 0.0003905500000000, -0.0009700400000000 ] - [ -0.0003990800000000, 0.0001195600000000, 0.0008135300000000 ] - [ 0.0002762000000000, 0.0003964000000000, -0.0018122100000000 ] - [ -0.0003733800000000, 0.0003048100000000, -0.0002554000000000 ] - [ 0.0000764000000000, 0.0000909500000000, 0.0011127700000000 ] - [ 0.0021132800000000, 0.0001585000000000, 0.0010947800000000 ] - [ -0.0002965000000000, 0.0004944700000000, -0.0081698500000000 ] - [ -0.0001088700000000, 0.0015676200000000, -0.0023866400000000 ] - [ -0.0238300600000000, -0.0380577000000000, 0.0563201500000000 ] - [ 0.0014489600000000, -0.0032277600000000, 0.0017149900000000 ] - [ 0.0000127500000000, -0.0006257700000000, -0.0011880100000000 ] - [ -0.0019094500000000, -0.0002279500000000, -0.0030494500000000 ] - [ 0.0000552500000000, 0.0004696500000000, 0.0021754200000000 ] - [ -0.0000083900000000, -0.0005080500000000, -0.0002390600000000 ] - [ -0.0002191900000000, -0.0056800900000000, 0.0072347100000000 ] - [ -0.0031290900000000, -0.0013096600000000, -0.0028256000000000 ] - [ 0.0002726400000000, 0.0000278100000000, 0.0035553700000000 ] - [ -0.0040149400000000, -0.0001622900000000, 0.0015717200000000 ] - [ 0.0075006100000000, -0.0002972300000000, 0.0097477500000000 ] - [ 0.0365073700000000, 0.0473184900000000, -0.1282157900000000 ] - [ 0.0001889100000000, 0.0005479100000000, 0.0029541300000000 ] - [ -0.0002504300000000, 0.0003787800000000, -0.0020164600000000 ] - [ 0.0001046700000000, 0.0007695100000000, 0.0046519600000000 ] - [ 0.0036631300000000, -0.0001707700000000, 0.0012267500000000 ] - [ -0.0143449800000000, 0.0008810000000000, 0.0132444500000000 ] - [ -0.0005225000000000, -0.0003057500000000, 0.0025624700000000 ] - [ -0.0018455300000000, -0.0008531300000000, -0.0083501300000000 ] - [ -0.0006463400000000, -0.0013496900000000, -0.0009541700000000 ] - [ 0.0008238900000000, -0.0085622900000000, 0.0065143200000000 ] - [ -0.0009392700000000, 0.0048717500000000, 0.0020126900000000 ] - [ -0.0000439000000000, 0.0010442600000000, 0.0007716800000000 ] - [ -0.0002302700000000, 0.0009959800000000, -0.0017561200000000 ] - [ 0.0001951700000000, 0.0000265100000000, 0.0021103500000000 ] - [ -0.0008486700000000, -0.0000930700000000, -0.0000652000000000 ] - [ 0.0006504700000000, -0.0005614700000000, 0.0006071100000000 ] - [ -0.0002976500000000, -0.0000515700000000, 0.0030429500000000 ] - [ -0.0006325900000000, -0.0001497700000000, -0.0012153700000000 ] - [ -0.0002440900000000, -0.0002970500000000, 0.0007348800000000 ] - [ -0.0001316700000000, -0.0004419900000000, -0.0018705600000000 ] - [ 0.0011454500000000, 0.0000239500000000, -0.0006558900000000 ] - [ -0.0009960300000000, -0.0006736200000000, -0.0001381400000000 ] - [ 0.0009696100000000, -0.0003928200000000, 0.0023070200000000 ] - [ 0.0014953900000000, -0.0009175000000000, -0.0040195000000000 ] - [ 0.0019994800000000, 0.0058850000000000, 0.0029997100000000 ] - [ -0.0003713500000000, 0.0007081600000000, 0.0002334300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0064258100000000, 0.0036535500000000, -0.0140210700000000 ] - [ 0.0012282200000000, -0.0006912900000000, 0.0013618800000000 ] - [ 0.0003147100000000, 0.0007730700000000, -0.0017209600000000 ] - [ 0.0007667100000000, 0.0015728000000000, 0.0037037400000000 ] - [ -0.0039584700000000, -0.0034412700000000, -0.0124487500000000 ] - [ -0.0010230000000000, 0.0014239500000000, 0.0023164100000000 ] - [ 0.0002978000000000, 0.0000266500000000, 0.0010887600000000 ] - [ 0.0010325900000000, -0.0008893100000000, -0.0080334000000000 ] - [ 0.0002332800000000, 0.0003236400000000, 0.0004301600000000 ] - [ 0.0008892800000000, 0.0009146500000000, -0.0091821500000000 ] - [ -0.0008817500000000, 0.0006874900000000, -0.0005309600000000 ] - [ 0.0002082500000000, 0.0010878800000000, 0.0024720600000000 ] - [ 0.0011379600000000, -0.0005572100000000, -0.0017413500000000 ] - [ 0.0007945000000000, -0.0009478000000000, 0.0034500600000000 ] - [ -0.0003530500000000, 0.0008630700000000, 0.0020793400000000 ] - [ 0.0018604800000000, 0.0017239100000000, -0.0009856700000000 ] - [ 0.0001962100000000, 0.0000863400000000, 0.0006258700000000 ] - [ 0.0005355500000000, 0.0014089700000000, -0.0066844400000000 ] - [ 0.0012229900000000, 0.0004553200000000, 0.0030302300000000 ] - [ -0.0015101500000000, -0.0003343500000000, -0.0024223100000000 ] - [ -0.0005191700000000, -0.0002889800000000, -0.0000982800000000 ] - [ 0.0001195200000000, -0.0001003300000000, 0.0009713500000000 ] - [ -0.0004789700000000, -0.0001308300000000, 0.0009647400000000 ] - [ 0.0006162800000000, -0.0006285900000000, -0.0024075900000000 ] - [ -0.0015339100000000, -0.0014091400000000, 0.0015363100000000 ] - [ -0.0004375100000000, -0.0003555400000000, -0.0011574300000000 ] - [ -0.0009513400000000, 0.0004424100000000, 0.0010651000000000 ] - [ -0.0004596000000000, 0.0001287500000000, -0.0005150600000000 ] - [ 0.0013294800000000, -0.0007992800000000, 0.0010597300000000 ] - [ -0.0006236700000000, -0.0008187100000000, -0.0003136200000000 ] - [ -0.0009645100000000, -0.0013527700000000, -0.0006991500000000 ] - [ 0.0001473300000000, -0.0002880100000000, 0.0006811000000000 ] - [ -0.0007551900000000, -0.0002001400000000, 0.0008168200000000 ] - [ -0.0001007400000000, -0.0001104300000000, -0.0016731300000000 ] - [ 0.0003837200000000, -0.0008606700000000, -0.0004607900000000 ] - [ -0.0003986700000000, 0.0002562800000000, 0.0003178800000000 ] - [ -0.0002690100000000, -0.0007028200000000, 0.0000199700000000 ] - [ -0.0009472600000000, -0.0009796200000000, 0.0009809100000000 ] - [ -0.0000849000000000, 0.0002463100000000, 0.0005630400000000 ] - [ -0.0005601800000000, 0.0004605900000000, -0.0014298800000000 ] - [ -0.0020634200000000, -0.0013201300000000, -0.0015842700000000 ] - [ 0.0003159800000000, -0.0016816700000000, 0.0086683300000000 ] - [ 0.0001410700000000, -0.0003827000000000, 0.0018686700000000 ] - [ 0.0251551200000000, 0.0412931600000000, -0.0570065600000000 ] - [ -0.0014884900000000, 0.0020476400000000, -0.0022261000000000 ] - [ -0.0000422300000000, -0.0005812700000000, 0.0017187700000000 ] - [ 0.0018903400000000, 0.0014375100000000, 0.0025400200000000 ] - [ -0.0000805700000000, 0.0007297900000000, -0.0016990100000000 ] - [ -0.0000236500000000, 0.0011584900000000, -0.0009854600000000 ] - [ 0.0001670100000000, 0.0062653800000000, -0.0060046200000000 ] - [ 0.0021193200000000, 0.0017271600000000, 0.0035435500000000 ] - [ -0.0013022900000000, 0.0003566600000000, -0.0042638000000000 ] - [ 0.0041657600000000, 0.0000500100000000, -0.0022460500000000 ] - [ -0.0072195300000000, 0.0002099900000000, -0.0090641000000000 ] - [ -0.0369276500000000, -0.0484457100000000, 0.1283085200000000 ] - [ 0.0004761700000000, -0.0002590400000000, -0.0025193700000000 ] - [ 0.0009066400000000, -0.0006806900000000, 0.0024818400000000 ] - [ 0.0005422900000000, -0.0010566100000000, -0.0050764100000000 ] - [ -0.0035075900000000, 0.0002771400000000, -0.0018855600000000 ] - [ 0.0147166800000000, -0.0007906400000000, -0.0127071300000000 ] - [ -0.0005296400000000, -0.0000935700000000, -0.0018460400000000 ] - [ 0.0006984000000000, 0.0003812700000000, 0.0076630600000000 ] - [ 0.0006108400000000, 0.0007121400000000, -0.0002552600000000 ] - [ -0.0008601500000000, 0.0080074100000000, -0.0053492900000000 ] - [ 0.0009436800000000, -0.0041752400000000, -0.0032835000000000 ] - [ 0.0000937200000000, -0.0004063200000000, 0.0004004900000000 ] - [ 0.0013255800000000, -0.0005891100000000, 0.0025204400000000 ] - [ 0.0008425600000000, 0.0003611500000000, -0.0028094600000000 ] - [ 0.0006820500000000, -0.0000500500000000, -0.0006371800000000 ] - [ -0.0008467300000000, 0.0004638200000000, 0.0000192800000000 ] - [ -0.0003462700000000, 0.0003353100000000, -0.0026294500000000 ] - [ -0.0000193100000000, 0.0004284300000000, 0.0008069800000000 ] - [ -0.0003989800000000, 0.0000141400000000, -0.0011612800000000 ] - [ -0.0005501900000000, 0.0001026200000000, 0.0023491900000000 ] - [ -0.0013454300000000, 0.0000699900000000, 0.0000271700000000 ] - [ 0.0008103700000000, 0.0007742500000000, 0.0008075200000000 ] - [ 0.0000600200000000, 0.0000039100000000, -0.0016030300000000 ] - [ -0.0004816900000000, 0.0005752600000000, 0.0033253100000000 ] - [ -0.0019673900000000, -0.0065637000000000, -0.0041900800000000 ] - [ 0.0004079800000000, -0.0013547400000000, 0.0009743700000000 ]