# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/98841b01-f365-4b24-8211-77b10db9d037/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 K6Ge2O7 / Pc (7) / materials id 5116](https://mdr.nims.go.jp/datasets/806d9c76-aa1a-40b6-a6a4-6e83d2b9e71e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.568760360000000, 0.000000000000000, 0.007401150000000 ] # a - [ 0.000000000000000, 9.122109289999999, 0.000000000000000 ] # b - [ -6.285559490000000, 0.000000000000000, 9.274442570000000 ] # c points: - symbol: O # 1 coordinates: [ 0.245461600000000, 0.337651900000000, 0.696922680000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.508506680000000, 0.453781860000000, 0.431859200000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.497630110000000, 0.250049700000000, 0.996386140000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.497630110000000, 0.749950300000000, 0.496386140000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.487688900000000, 0.953748060000000, 0.060613530000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.487688900000000, 0.046251940000000, 0.560613530000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.947316400000000, 0.086636260000000, 0.124460060000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.947316400000000, 0.913363740000000, 0.624460060000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.750884180000000, 0.162129910000000, 0.295702330000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.750884180000000, 0.837870090000000, 0.795702330000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.508506680000000, 0.546218140000000, 0.931859200000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.048465580000000, 0.586260410000000, 0.367736530000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.245461600000000, 0.662348100000000, 0.196922680000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.048465580000000, 0.413739590000000, 0.867736530000000 ] mass: 15.999400 - symbol: K # 15 coordinates: [ 0.594757220000000, 0.460183730000000, 0.216749100000000 ] mass: 39.098300 - symbol: K # 16 coordinates: [ 0.401282560000000, 0.960235910000000, 0.275741060000000 ] mass: 39.098300 - symbol: K # 17 coordinates: [ 0.045219600000000, 0.100826510000000, 0.920283680000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.045219600000000, 0.899173490000000, 0.420283680000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.204834030000000, 0.277708700000000, 0.452652490000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.204834030000000, 0.722291300000000, 0.952652490000000 ] mass: 39.098300 - symbol: K # 21 coordinates: [ 0.791326360000000, 0.222287830000000, 0.539841690000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.791326360000000, 0.777712170000000, 0.039841690000000 ] mass: 39.098300 - symbol: K # 23 coordinates: [ 0.950814570000000, 0.399269680000000, 0.072165110000000 ] mass: 39.098300 - symbol: K # 24 coordinates: [ 0.950814570000000, 0.600730320000000, 0.572165110000000 ] mass: 39.098300 - symbol: K # 25 coordinates: [ 0.401282560000000, 0.039764090000000, 0.775741060000000 ] mass: 39.098300 - symbol: K # 26 coordinates: [ 0.594757220000000, 0.539816270000000, 0.716749100000000 ] mass: 39.098300 - symbol: Ge # 27 coordinates: [ 0.312552640000000, 0.606989320000000, 0.365248670000000 ] mass: 72.640000 - symbol: Ge # 28 coordinates: [ 0.683459510000000, 0.107037670000000, 0.127237730000000 ] mass: 72.640000 - symbol: Ge # 29 coordinates: [ 0.683459510000000, 0.892962330000000, 0.627237730000000 ] mass: 72.640000 - symbol: Ge # 30 coordinates: [ 0.312552640000000, 0.393010680000000, 0.865248670000000 ] mass: 72.640000 reciprocal_lattice: # without 2pi - [ 0.152119565542930, 0.000000000000000, 0.103095854181675 ] # a* - [ 0.000000000000000, 0.109623768824633, 0.000000000000000 ] # b* - [ -0.000121393788793, 0.000000000000000, 0.107740919691610 ] # c*unit_cell: lattice: - [ 6.568760360000000, 0.000000000000000, 0.007401150000000 ] # a - [ 0.000000000000000, 9.122109289999999, 0.000000000000000 ] # b - [ -6.285559490000000, 0.000000000000000, 9.274442570000000 ] # c points: - symbol: O # 1 coordinates: [ 0.245461600000000, 0.337651900000000, 0.696922680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.508506680000000, 0.453781860000000, 0.431859200000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.497630110000000, 0.250049700000000, 0.996386140000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.497630110000000, 0.749950300000000, 0.496386140000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.487688900000000, 0.953748060000000, 0.060613530000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.487688900000000, 0.046251940000000, 0.560613530000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.947316400000000, 0.086636260000000, 0.124460060000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.947316400000000, 0.913363740000000, 0.624460060000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.750884180000000, 0.162129910000000, 0.295702330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.750884180000000, 0.837870090000000, 0.795702330000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.508506680000000, 0.546218140000000, 0.931859200000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.048465580000000, 0.586260410000000, 0.367736530000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.245461600000000, 0.662348100000000, 0.196922680000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.048465580000000, 0.413739590000000, 0.867736530000000 ] mass: 15.999400 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.594757220000000, 0.460183730000000, 0.216749100000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.401282560000000, 0.960235910000000, 0.275741060000000 ] mass: 39.098300 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.045219600000000, 0.100826510000000, 0.920283680000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.045219600000000, 0.899173490000000, 0.420283680000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.204834030000000, 0.277708700000000, 0.452652490000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.204834030000000, 0.722291300000000, 0.952652490000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.791326360000000, 0.222287830000000, 0.539841690000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.791326360000000, 0.777712170000000, 0.039841690000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.950814570000000, 0.399269680000000, 0.072165110000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.950814570000000, 0.600730320000000, 0.572165110000000 ] mass: 39.098300 reduced_to: 24 - symbol: K # 25 coordinates: [ 0.401282560000000, 0.039764090000000, 0.775741060000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.594757220000000, 0.539816270000000, 0.716749100000000 ] mass: 39.098300 reduced_to: 26 - symbol: Ge # 27 coordinates: [ 0.312552640000000, 0.606989320000000, 0.365248670000000 ] mass: 72.640000 reduced_to: 27 - symbol: Ge # 28 coordinates: [ 0.683459510000000, 0.107037670000000, 0.127237730000000 ] mass: 72.640000 reduced_to: 28 - symbol: Ge # 29 coordinates: [ 0.683459510000000, 0.892962330000000, 0.627237730000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 30 coordinates: [ 0.312552640000000, 0.393010680000000, 0.865248670000000 ] mass: 72.640000 reduced_to: 30supercell: lattice: - [ 13.137520719999999, 0.000000000000000, 0.014802300000000 ] # a - [ 0.000000000000000, 18.244218579999998, 0.000000000000000 ] # b - [ -6.285559490000000, 0.000000000000000, 9.274442570000000 ] # c points: - symbol: O # 1 coordinates: [ 0.122730800000000, 0.168825950000000, 0.696922680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.622730800000000, 0.168825950000000, 0.696922680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.122730800000000, 0.668825950000000, 0.696922680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.622730800000000, 0.668825950000000, 0.696922680000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.254253340000000, 0.226890930000000, 0.431859200000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.754253340000000, 0.226890930000000, 0.431859200000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.254253340000000, 0.726890930000000, 0.431859200000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.754253340000000, 0.726890930000000, 0.431859200000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.248815055000000, 0.125024850000000, 0.996386140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.748815055000000, 0.125024850000000, 0.996386140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.248815055000000, 0.625024850000000, 0.996386140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.748815055000000, 0.625024850000000, 0.996386140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.248815055000000, 0.374975150000000, 0.496386140000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.748815055000000, 0.374975150000000, 0.496386140000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.248815055000000, 0.874975150000000, 0.496386140000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.748815055000000, 0.874975150000000, 0.496386140000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.243844450000000, 0.476874030000000, 0.060613530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.743844450000000, 0.476874030000000, 0.060613530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.243844450000000, 0.976874030000000, 0.060613530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.743844450000000, 0.976874030000000, 0.060613530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.243844450000000, 0.023125970000000, 0.560613530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.743844450000000, 0.023125970000000, 0.560613530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.243844450000000, 0.523125970000000, 0.560613530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.743844450000000, 0.523125970000000, 0.560613530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.473658200000000, 0.043318130000000, 0.124460060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.973658200000000, 0.043318130000000, 0.124460060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.473658200000000, 0.543318130000000, 0.124460060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.973658200000000, 0.543318130000000, 0.124460060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.473658200000000, 0.456681870000000, 0.624460060000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.973658200000000, 0.456681870000000, 0.624460060000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.473658200000000, 0.956681870000000, 0.624460060000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.973658200000000, 0.956681870000000, 0.624460060000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.375442090000000, 0.081064955000000, 0.295702330000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.875442090000000, 0.081064955000000, 0.295702330000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.375442090000000, 0.581064955000000, 0.295702330000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.875442090000000, 0.581064955000000, 0.295702330000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.375442090000000, 0.418935045000000, 0.795702330000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.875442090000000, 0.418935045000000, 0.795702330000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.375442090000000, 0.918935045000000, 0.795702330000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.875442090000000, 0.918935045000000, 0.795702330000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.254253340000000, 0.273109070000000, 0.931859200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.754253340000000, 0.273109070000000, 0.931859200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.254253340000000, 0.773109070000000, 0.931859200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.754253340000000, 0.773109070000000, 0.931859200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.024232790000000, 0.293130205000000, 0.367736530000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.524232790000000, 0.293130205000000, 0.367736530000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.024232790000000, 0.793130205000000, 0.367736530000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.524232790000000, 0.793130205000000, 0.367736530000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.122730800000000, 0.331174050000000, 0.196922680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.622730800000000, 0.331174050000000, 0.196922680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.122730800000000, 0.831174050000000, 0.196922680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.622730800000000, 0.831174050000000, 0.196922680000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.024232790000000, 0.206869795000000, 0.867736530000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.524232790000000, 0.206869795000000, 0.867736530000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.024232790000000, 0.706869795000000, 0.867736530000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.524232790000000, 0.706869795000000, 0.867736530000000 ] mass: 15.999400 reduced_to: 53 - symbol: K # 57 coordinates: [ 0.297378610000000, 0.230091865000000, 0.216749100000000 ] mass: 39.098300 reduced_to: 57 - symbol: K # 58 coordinates: [ 0.797378610000000, 0.230091865000000, 0.216749100000000 ] mass: 39.098300 reduced_to: 57 - symbol: K # 59 coordinates: [ 0.297378610000000, 0.730091865000000, 0.216749100000000 ] mass: 39.098300 reduced_to: 57 - symbol: K # 60 coordinates: [ 0.797378610000000, 0.730091865000000, 0.216749100000000 ] mass: 39.098300 reduced_to: 57 - symbol: K # 61 coordinates: [ 0.200641280000000, 0.480117955000000, 0.275741060000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 62 coordinates: [ 0.700641280000000, 0.480117955000000, 0.275741060000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 63 coordinates: [ 0.200641280000000, 0.980117955000000, 0.275741060000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 64 coordinates: [ 0.700641280000000, 0.980117955000000, 0.275741060000000 ] mass: 39.098300 reduced_to: 61 - symbol: K # 65 coordinates: [ 0.022609800000000, 0.050413255000000, 0.920283680000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 66 coordinates: [ 0.522609800000000, 0.050413255000000, 0.920283680000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 67 coordinates: [ 0.022609800000000, 0.550413255000000, 0.920283680000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 68 coordinates: [ 0.522609800000000, 0.550413255000000, 0.920283680000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 69 coordinates: [ 0.022609800000000, 0.449586745000000, 0.420283680000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 70 coordinates: [ 0.522609800000000, 0.449586745000000, 0.420283680000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 71 coordinates: [ 0.022609800000000, 0.949586745000000, 0.420283680000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 72 coordinates: [ 0.522609800000000, 0.949586745000000, 0.420283680000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 73 coordinates: [ 0.102417015000000, 0.138854350000000, 0.452652490000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 74 coordinates: [ 0.602417015000000, 0.138854350000000, 0.452652490000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 75 coordinates: [ 0.102417015000000, 0.638854350000000, 0.452652490000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 76 coordinates: [ 0.602417015000000, 0.638854350000000, 0.452652490000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 77 coordinates: [ 0.102417015000000, 0.361145650000000, 0.952652490000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 78 coordinates: [ 0.602417015000000, 0.361145650000000, 0.952652490000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 79 coordinates: [ 0.102417015000000, 0.861145650000000, 0.952652490000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 80 coordinates: [ 0.602417015000000, 0.861145650000000, 0.952652490000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 81 coordinates: [ 0.395663180000000, 0.111143915000000, 0.539841690000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 82 coordinates: [ 0.895663180000000, 0.111143915000000, 0.539841690000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 83 coordinates: [ 0.395663180000000, 0.611143915000000, 0.539841690000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 84 coordinates: [ 0.895663180000000, 0.611143915000000, 0.539841690000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 85 coordinates: [ 0.395663180000000, 0.388856085000000, 0.039841690000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 86 coordinates: [ 0.895663180000000, 0.388856085000000, 0.039841690000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 87 coordinates: [ 0.395663180000000, 0.888856085000000, 0.039841690000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 88 coordinates: [ 0.895663180000000, 0.888856085000000, 0.039841690000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 89 coordinates: [ 0.475407285000000, 0.199634840000000, 0.072165110000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 90 coordinates: [ 0.975407285000000, 0.199634840000000, 0.072165110000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 91 coordinates: [ 0.475407285000000, 0.699634840000000, 0.072165110000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 92 coordinates: [ 0.975407285000000, 0.699634840000000, 0.072165110000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 93 coordinates: [ 0.475407285000000, 0.300365160000000, 0.572165110000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 94 coordinates: [ 0.975407285000000, 0.300365160000000, 0.572165110000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 95 coordinates: [ 0.475407285000000, 0.800365160000000, 0.572165110000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 96 coordinates: [ 0.975407285000000, 0.800365160000000, 0.572165110000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 97 coordinates: [ 0.200641280000000, 0.019882045000000, 0.775741060000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 98 coordinates: [ 0.700641280000000, 0.019882045000000, 0.775741060000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 99 coordinates: [ 0.200641280000000, 0.519882045000000, 0.775741060000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 100 coordinates: [ 0.700641280000000, 0.519882045000000, 0.775741060000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 101 coordinates: [ 0.297378610000000, 0.269908135000000, 0.716749100000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 102 coordinates: [ 0.797378610000000, 0.269908135000000, 0.716749100000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 103 coordinates: [ 0.297378610000000, 0.769908135000000, 0.716749100000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 104 coordinates: [ 0.797378610000000, 0.769908135000000, 0.716749100000000 ] mass: 39.098300 reduced_to: 101 - symbol: Ge # 105 coordinates: [ 0.156276320000000, 0.303494660000000, 0.365248670000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 106 coordinates: [ 0.656276320000000, 0.303494660000000, 0.365248670000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 107 coordinates: [ 0.156276320000000, 0.803494660000000, 0.365248670000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 108 coordinates: [ 0.656276320000000, 0.803494660000000, 0.365248670000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 109 coordinates: [ 0.341729755000000, 0.053518835000000, 0.127237730000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 110 coordinates: [ 0.841729755000000, 0.053518835000000, 0.127237730000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 111 coordinates: [ 0.341729755000000, 0.553518835000000, 0.127237730000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 112 coordinates: [ 0.841729755000000, 0.553518835000000, 0.127237730000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 113 coordinates: [ 0.341729755000000, 0.446481165000000, 0.627237730000000 ] mass: 72.640000 reduced_to: 113 - symbol: Ge # 114 coordinates: [ 0.841729755000000, 0.446481165000000, 0.627237730000000 ] mass: 72.640000 reduced_to: 113 - symbol: Ge # 115 coordinates: [ 0.341729755000000, 0.946481165000000, 0.627237730000000 ] mass: 72.640000 reduced_to: 113 - symbol: Ge # 116 coordinates: [ 0.841729755000000, 0.946481165000000, 0.627237730000000 ] mass: 72.640000 reduced_to: 113 - symbol: Ge # 117 coordinates: [ 0.156276320000000, 0.196505340000000, 0.865248670000000 ] mass: 72.640000 reduced_to: 117 - symbol: Ge # 118 coordinates: [ 0.656276320000000, 0.196505340000000, 0.865248670000000 ] mass: 72.640000 reduced_to: 117 - symbol: Ge # 119 coordinates: [ 0.156276320000000, 0.696505340000000, 0.865248670000000 ] mass: 72.640000 reduced_to: 117 - symbol: Ge # 120 coordinates: [ 0.656276320000000, 0.696505340000000, 0.865248670000000 ] mass: 72.640000 reduced_to: 117born_effective_charge:- # 1 (O) - [ -1.487664000000000, 0.036577230000000, 0.230786060000000 ] - [ 0.032829590000000, -1.519415650000000, -0.157780820000000 ] - [ 0.299987230000000, -0.247992730000000, -2.172111960000000 ]- # 2 (O) - [ -1.700668490000000, 0.264385970000000, -0.149494710000000 ] - [ 0.362750880000000, -2.002920950000000, 0.307690810000000 ] - [ -0.102553730000000, 0.151599990000000, -1.502764960000000 ]- # 3 (O) - [ -1.222434970000000, 0.344137200000000, -0.388445370000000 ] - [ 0.384139850000000, -2.491870120000000, 1.188685410000000 ] - [ -0.427908740000000, 1.111631270000000, -2.226866080000000 ]- # 4 (O) - [ -1.222434970000000, -0.344137200000000, -0.388445370000000 ] - [ -0.384139850000000, -2.491870120000000, -1.188685410000000 ] - [ -0.427908740000000, -1.111631270000000, -2.226866080000000 ]- # 5 (O) - [ -1.699562050000000, -0.263476920000000, -0.148813860000000 ] - [ -0.361907550000000, -2.002838770000000, -0.307627340000000 ] - [ -0.102493400000000, -0.151916840000000, -1.502904110000000 ]- # 6 (O) - [ -1.699562050000000, 0.263476920000000, -0.148813860000000 ] - [ 0.361907550000000, -2.002838770000000, 0.307627340000000 ] - [ -0.102493400000000, 0.151916840000000, -1.502904110000000 ]- # 7 (O) - [ -2.302816300000000, 0.119916770000000, 0.071792080000000 ] - [ 0.192268410000000, -1.466860460000000, 0.033524100000000 ] - [ -0.033966730000000, 0.026717730000000, -1.423929270000000 ]- # 8 (O) - [ -2.302816300000000, -0.119916770000000, 0.071792080000000 ] - [ -0.192268410000000, -1.466860460000000, -0.033524100000000 ] - [ -0.033966730000000, -0.026717730000000, -1.423929270000000 ]- # 9 (O) - [ -1.487236460000000, 0.035852800000000, 0.230446550000000 ] - [ 0.032341450000000, -1.519005420000000, -0.157110680000000 ] - [ 0.300023000000000, -0.247296080000000, -2.174060700000000 ]- # 10 (O) - [ -1.487236460000000, -0.035852800000000, 0.230446550000000 ] - [ -0.032341450000000, -1.519005420000000, 0.157110680000000 ] - [ 0.300023000000000, 0.247296080000000, -2.174060700000000 ]- # 11 (O) - [ -1.700668490000000, -0.264385970000000, -0.149494710000000 ] - [ -0.362750880000000, -2.002920950000000, -0.307690810000000 ] - [ -0.102553730000000, -0.151599990000000, -1.502764960000000 ]- # 12 (O) - [ -2.302877700000000, -0.121906150000000, 0.069588850000000 ] - [ -0.194596330000000, -1.467361330000000, -0.034053290000000 ] - [ -0.036107370000000, -0.027311710000000, -1.424194490000000 ]- # 13 (O) - [ -1.487664000000000, -0.036577230000000, 0.230786060000000 ] - [ -0.032829590000000, -1.519415650000000, 0.157780820000000 ] - [ 0.299987230000000, 0.247992730000000, -2.172111960000000 ]- # 14 (O) - [ -2.302877700000000, 0.121906150000000, 0.069588850000000 ] - [ 0.194596330000000, -1.467361330000000, 0.034053290000000 ] - [ -0.036107370000000, 0.027311710000000, -1.424194490000000 ]- # 15 (K) - [ 1.170816640000000, -0.062173780000000, -0.037992830000000 ] - [ -0.103728730000000, 1.083770830000000, 0.098540640000000 ] - [ -0.086783040000000, 0.109948250000000, 1.151006970000000 ]- # 16 (K) - [ 1.170611970000000, 0.062461040000000, -0.038043050000000 ] - [ 0.104088990000000, 1.084061880000000, -0.097957570000000 ] - [ -0.086951900000000, -0.109476390000000, 1.150922850000000 ]- # 17 (K) - [ 1.250132810000000, 0.103884940000000, -0.026926680000000 ] - [ 0.093874230000000, 1.114133570000000, 0.069805100000000 ] - [ 0.036199330000000, 0.059352390000000, 1.081454370000000 ]- # 18 (K) - [ 1.250132810000000, -0.103884940000000, -0.026926680000000 ] - [ -0.093874230000000, 1.114133570000000, -0.069805100000000 ] - [ 0.036199330000000, -0.059352390000000, 1.081454370000000 ]- # 19 (K) - [ 1.080146480000000, 0.025692360000000, 0.019362630000000 ] - [ 0.028327080000000, 1.280555830000000, -0.027187130000000 ] - [ 0.019504760000000, 0.029287250000000, 1.156407890000000 ]- # 20 (K) - [ 1.080146480000000, -0.025692360000000, 0.019362630000000 ] - [ -0.028327080000000, 1.280555830000000, 0.027187130000000 ] - [ 0.019504760000000, -0.029287250000000, 1.156407890000000 ]- # 21 (K) - [ 1.080351120000000, 0.025579070000000, 0.019219500000000 ] - [ 0.028565530000000, 1.280516950000000, -0.026845470000000 ] - [ 0.019193110000000, 0.029657500000000, 1.156340700000000 ]- # 22 (K) - [ 1.080351120000000, -0.025579070000000, 0.019219500000000 ] - [ -0.028565530000000, 1.280516950000000, 0.026845470000000 ] - [ 0.019193110000000, -0.029657500000000, 1.156340700000000 ]- # 23 (K) - [ 1.249412430000000, 0.103348950000000, -0.026942200000000 ] - [ 0.093183000000000, 1.114134090000000, 0.069663860000000 ] - [ 0.036014350000000, 0.058955890000000, 1.081813220000000 ]- # 24 (K) - [ 1.249412430000000, -0.103348950000000, -0.026942200000000 ] - [ -0.093183000000000, 1.114134090000000, -0.069663860000000 ] - [ 0.036014350000000, -0.058955890000000, 1.081813220000000 ]- # 25 (K) - [ 1.170611970000000, -0.062461040000000, -0.038043050000000 ] - [ -0.104088990000000, 1.084061880000000, 0.097957570000000 ] - [ -0.086951900000000, 0.109476390000000, 1.150922850000000 ]- # 26 (K) - [ 1.170816640000000, 0.062173780000000, -0.037992830000000 ] - [ 0.103728730000000, 1.083770830000000, -0.098540640000000 ] - [ -0.086783040000000, -0.109948250000000, 1.151006970000000 ]- # 27 (Ge) - [ 2.600392880000000, 0.073341450000000, 0.088014210000000 ] - [ 0.088142790000000, 2.756125850000000, 0.227594000000000 ] - [ 0.081571730000000, 0.224299600000000, 2.825002120000000 ]- # 28 (Ge) - [ 2.601395630000000, -0.072427400000000, 0.087448830000000 ] - [ -0.090638200000000, 2.756973650000000, -0.226130060000000 ] - [ 0.084271390000000, -0.225314320000000, 2.823883450000000 ]- # 29 (Ge) - [ 2.601395630000000, 0.072427400000000, 0.087448830000000 ] - [ 0.090638200000000, 2.756973650000000, 0.226130060000000 ] - [ 0.084271390000000, 0.225314320000000, 2.823883450000000 ]- # 30 (Ge) - [ 2.600392880000000, -0.073341450000000, 0.088014210000000 ] - [ -0.088142790000000, 2.756125850000000, -0.227594000000000 ] - [ 0.081571730000000, -0.224299600000000, 2.825002120000000 ]dielectric_constant: - [ 2.707854820000000, 0.000000000000000, 0.007144960000000 ] - [ 0.000000000000000, 2.714027920000000, 0.000000000000000 ] - [ 0.007145000000000, 0.000000000000000, 2.727838330000000 ]displacements:- atom: 1 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ -0.0669890700000000, 0.0189556000000000, 0.0657092900000000 ] - [ 0.0019302300000000, 0.0000094500000000, -0.0003424500000000 ] - [ 0.0003582900000000, -0.0000079500000000, -0.0001116400000000 ] - [ 0.0006110500000000, -0.0000270800000000, -0.0001364900000000 ] - [ 0.0012036100000000, 0.0010502200000000, -0.0021261400000000 ] - [ 0.0013519500000000, -0.0015790600000000, 0.0017474500000000 ] - [ 0.0000681800000000, -0.0003343100000000, -0.0002000800000000 ] - [ 0.0000136900000000, -0.0000454100000000, -0.0000214300000000 ] - [ -0.0051094100000000, 0.0022838000000000, -0.0017846000000000 ] - [ 0.0012994400000000, -0.0001351500000000, 0.0001045200000000 ] - [ 0.0004154700000000, 0.0000587200000000, -0.0003129800000000 ] - [ 0.0005065100000000, 0.0000870300000000, -0.0003033700000000 ] - [ 0.0007262000000000, 0.0008066300000000, -0.0011393200000000 ] - [ 0.0006513600000000, -0.0008396500000000, -0.0001552100000000 ] - [ 0.0003954400000000, -0.0011919200000000, -0.0009859600000000 ] - [ 0.0005736600000000, 0.0005373000000000, 0.0001152000000000 ] - [ -0.0003478000000000, -0.0001970100000000, 0.0000853900000000 ] - [ -0.0000474600000000, 0.0000214500000000, 0.0003016000000000 ] - [ -0.0005288300000000, 0.0002991400000000, 0.0001730800000000 ] - [ 0.0001293800000000, 0.0000277200000000, 0.0004533400000000 ] - [ 0.0013794100000000, -0.0028870700000000, -0.0003550800000000 ] - [ 0.0009173500000000, 0.0015708700000000, 0.0001439100000000 ] - [ -0.0002637500000000, 0.0004187100000000, 0.0000283000000000 ] - [ 0.0000234900000000, -0.0003564900000000, 0.0003619700000000 ] - [ 0.0000318900000000, -0.0004685700000000, 0.0006780900000000 ] - [ 0.0010123700000000, -0.0003730800000000, -0.0005958400000000 ] - [ 0.0005777500000000, -0.0006217400000000, 0.0002647300000000 ] - [ 0.0006590200000000, -0.0006421800000000, 0.0000561500000000 ] - [ 0.0011650600000000, 0.0008369900000000, 0.0000659700000000 ] - [ 0.0003899800000000, 0.0000350000000000, 0.0001584700000000 ] - [ 0.0016667500000000, 0.0002598300000000, 0.0002179600000000 ] - [ -0.0001663800000000, 0.0017632800000000, 0.0000786300000000 ] - [ -0.0002364200000000, 0.0004621400000000, -0.0004951900000000 ] - [ -0.0020735900000000, 0.0001640400000000, 0.0003531700000000 ] - [ -0.0005129900000000, 0.0002197900000000, -0.0001337900000000 ] - [ -0.0006606300000000, 0.0002520800000000, -0.0000396300000000 ] - [ -0.0003121600000000, 0.0011915900000000, 0.0001409900000000 ] - [ -0.0004160000000000, -0.0009806800000000, -0.0000421600000000 ] - [ -0.0003157500000000, -0.0010234700000000, 0.0004067300000000 ] - [ -0.0004179300000000, 0.0002796500000000, -0.0002699800000000 ] - [ -0.0077166100000000, 0.0021236600000000, 0.0031194100000000 ] - [ 0.0016201400000000, 0.0003574400000000, -0.0000070800000000 ] - [ -0.0000907400000000, 0.0000971000000000, -0.0000738500000000 ] - [ 0.0001395900000000, 0.0001722500000000, -0.0001077800000000 ] - [ -0.0016450800000000, 0.0009639800000000, -0.0011006900000000 ] - [ -0.0000850300000000, -0.0004342100000000, 0.0004441400000000 ] - [ -0.0010504000000000, -0.0002447400000000, 0.0001207600000000 ] - [ -0.0006743800000000, -0.0000775800000000, 0.0002592600000000 ] - [ 0.0008567300000000, -0.0000328800000000, -0.0019305800000000 ] - [ 0.0004995900000000, -0.0003570400000000, 0.0008654000000000 ] - [ 0.0005092200000000, -0.0000185600000000, -0.0004075700000000 ] - [ 0.0004882100000000, 0.0000602500000000, 0.0001150800000000 ] - [ 0.0106604400000000, -0.0062154900000000, -0.0142336900000000 ] - [ 0.0021767300000000, 0.0000827700000000, 0.0012610400000000 ] - [ -0.0009383800000000, 0.0001518000000000, 0.0001634900000000 ] - [ -0.0007653800000000, 0.0001206400000000, 0.0002527200000000 ] - [ -0.0001618100000000, 0.0000693700000000, 0.0006607700000000 ] - [ -0.0000414500000000, -0.0000382300000000, -0.0006478100000000 ] - [ -0.0004112200000000, -0.0000916400000000, -0.0002194900000000 ] - [ -0.0003142900000000, -0.0000971500000000, -0.0002865600000000 ] - [ 0.0001618000000000, -0.0001346400000000, 0.0003830800000000 ] - [ 0.0002734700000000, 0.0000068900000000, 0.0000191500000000 ] - [ 0.0000322300000000, -0.0000477000000000, 0.0007049300000000 ] - [ 0.0002241000000000, -0.0003969700000000, -0.0003176300000000 ] - [ -0.0005731000000000, -0.0018713800000000, 0.0009430700000000 ] - [ -0.0008459000000000, 0.0007012300000000, -0.0010318200000000 ] - [ 0.0000163000000000, 0.0002241700000000, -0.0001611700000000 ] - [ -0.0000625600000000, -0.0000165100000000, -0.0003652000000000 ] - [ 0.0003553400000000, -0.0001447200000000, -0.0002603700000000 ] - [ -0.0002384800000000, -0.0000035500000000, -0.0002581900000000 ] - [ 0.0005791300000000, 0.0002408700000000, -0.0000091400000000 ] - [ -0.0003252500000000, -0.0001758700000000, -0.0002774800000000 ] - [ 0.0037416500000000, -0.0003100300000000, -0.0024165000000000 ] - [ -0.0009205300000000, 0.0002117600000000, -0.0002507900000000 ] - [ 0.0000209300000000, 0.0002471500000000, 0.0000642000000000 ] - [ -0.0001395500000000, 0.0002940300000000, 0.0000206700000000 ] - [ 0.0004534500000000, 0.0010950100000000, 0.0006494200000000 ] - [ -0.0004096500000000, -0.0004848400000000, -0.0003715600000000 ] - [ 0.0000573100000000, -0.0004038100000000, 0.0001587000000000 ] - [ -0.0001647600000000, -0.0001815800000000, -0.0001104900000000 ] - [ -0.0014223500000000, -0.0000684500000000, 0.0003560900000000 ] - [ 0.0071169300000000, 0.0019598400000000, 0.0031080400000000 ] - [ -0.0001008400000000, -0.0003762100000000, -0.0000847600000000 ] - [ 0.0000618100000000, -0.0002481100000000, -0.0001387600000000 ] - [ 0.0001173800000000, 0.0001604400000000, -0.0005425400000000 ] - [ -0.0002949500000000, 0.0005619000000000, 0.0001960300000000 ] - [ 0.0000391600000000, 0.0004346800000000, -0.0003681100000000 ] - [ -0.0000997000000000, 0.0002305200000000, 0.0000208500000000 ] - [ -0.0002273100000000, -0.0005260600000000, -0.0016221800000000 ] - [ -0.0012115300000000, -0.0004358000000000, 0.0017647500000000 ] - [ 0.0000333700000000, -0.0002772300000000, 0.0002910100000000 ] - [ 0.0000132900000000, -0.0002688900000000, 0.0004076900000000 ] - [ -0.0008756300000000, 0.0001498600000000, 0.0005340600000000 ] - [ 0.0027284200000000, 0.0006375500000000, -0.0001333200000000 ] - [ -0.0001409800000000, 0.0003720100000000, 0.0003781400000000 ] - [ 0.0001903800000000, 0.0001998900000000, 0.0003239600000000 ] - [ 0.0029459200000000, 0.0008340300000000, -0.0001428300000000 ] - [ -0.0003588100000000, -0.0000368000000000, 0.0002398400000000 ] - [ 0.0005023000000000, 0.0000193200000000, 0.0001558100000000 ] - [ 0.0000269300000000, 0.0001537900000000, 0.0002016800000000 ] - [ 0.0011932300000000, -0.0007910900000000, -0.0000286600000000 ] - [ -0.0021673600000000, 0.0010606100000000, -0.0008891900000000 ] - [ -0.0002901700000000, 0.0002479800000000, -0.0002976400000000 ] - [ -0.0004335900000000, -0.0000023200000000, -0.0002222600000000 ] - [ 0.0000294200000000, -0.0013062000000000, 0.0025846500000000 ] - [ -0.0007548100000000, 0.0016630000000000, -0.0012375700000000 ] - [ 0.0003895900000000, 0.0007442000000000, 0.0005590800000000 ] - [ 0.0000333000000000, -0.0000238900000000, -0.0004106500000000 ] - [ 0.0003048500000000, -0.0012930400000000, 0.0006724500000000 ] - [ -0.0004010300000000, -0.0000255700000000, -0.0000174500000000 ] - [ 0.0000328700000000, 0.0001182900000000, 0.0001335800000000 ] - [ -0.0000741500000000, 0.0000179000000000, 0.0000653400000000 ] - [ -0.0006466500000000, -0.0011512600000000, 0.0004891700000000 ] - [ -0.0000262300000000, 0.0008076400000000, -0.0000427800000000 ] - [ -0.0013497200000000, 0.0020988700000000, -0.0003690200000000 ] - [ 0.0000328800000000, -0.0016120100000000, 0.0001892800000000 ] - [ 0.0524576000000000, -0.0186335900000000, -0.0534869400000000 ] - [ -0.0027120400000000, -0.0001708700000000, -0.0000319900000000 ] - [ 0.0003345200000000, -0.0002718500000000, -0.0000268800000000 ] - [ 0.0000525400000000, -0.0002745600000000, -0.0000313500000000 ]- atom: 1 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0677347400000000, -0.0192694900000000, -0.0664952100000000 ] - [ -0.0009472400000000, -0.0000233600000000, 0.0000957300000000 ] - [ 0.0006220200000000, -0.0000046100000000, -0.0001260600000000 ] - [ 0.0003743100000000, 0.0000103400000000, -0.0001212600000000 ] - [ -0.0011389800000000, -0.0013403400000000, 0.0019166200000000 ] - [ -0.0012911800000000, 0.0012842500000000, -0.0019498200000000 ] - [ -0.0000058400000000, 0.0000322500000000, 0.0000020400000000 ] - [ 0.0000479700000000, -0.0002560400000000, -0.0001760500000000 ] - [ 0.0060163700000000, -0.0020000500000000, 0.0010255700000000 ] - [ -0.0003909600000000, 0.0003615900000000, -0.0007740800000000 ] - [ 0.0004933500000000, 0.0001701400000000, -0.0003568700000000 ] - [ 0.0004043700000000, 0.0001348300000000, -0.0003590200000000 ] - [ 0.0001801300000000, -0.0010346600000000, 0.0004613400000000 ] - [ 0.0002576300000000, 0.0006061400000000, -0.0005184600000000 ] - [ 0.0005090600000000, 0.0009473300000000, 0.0003046000000000 ] - [ 0.0003324900000000, -0.0007747300000000, -0.0007917100000000 ] - [ 0.0000677100000000, 0.0001838600000000, 0.0003679600000000 ] - [ -0.0002307500000000, -0.0000222700000000, 0.0001550300000000 ] - [ 0.0002509600000000, -0.0002940900000000, 0.0002797200000000 ] - [ -0.0004069500000000, -0.0000326400000000, 0.0000049700000000 ] - [ -0.0016673800000000, 0.0028942900000000, 0.0008038000000000 ] - [ -0.0012095600000000, -0.0015575400000000, 0.0003073600000000 ] - [ -0.0000239800000000, -0.0004012600000000, 0.0004252700000000 ] - [ -0.0003061300000000, 0.0003656800000000, 0.0000911500000000 ] - [ 0.0012364800000000, -0.0007559000000000, -0.0003676300000000 ] - [ 0.0002645300000000, -0.0008601800000000, 0.0009067500000000 ] - [ 0.0007043100000000, -0.0006096900000000, 0.0000469200000000 ] - [ 0.0006162900000000, -0.0005861100000000, 0.0002554100000000 ] - [ 0.0001256000000000, 0.0003961900000000, 0.0002469300000000 ] - [ 0.0008949300000000, 0.0011915000000000, 0.0001543900000000 ] - [ -0.0003689500000000, 0.0009685600000000, 0.0000938400000000 ] - [ 0.0014655600000000, -0.0005327000000000, 0.0002372000000000 ] - [ -0.0009321100000000, 0.0000701200000000, 0.0003447700000000 ] - [ 0.0009052400000000, 0.0003586300000000, -0.0004924300000000 ] - [ -0.0006561500000000, 0.0003065000000000, 0.0000024200000000 ] - [ -0.0005059500000000, 0.0002732200000000, -0.0000934800000000 ] - [ -0.0008651300000000, -0.0017132100000000, -0.0002568800000000 ] - [ -0.0007514200000000, 0.0004530400000000, -0.0000846300000000 ] - [ -0.0008653200000000, 0.0004881300000000, -0.0005158900000000 ] - [ -0.0007561100000000, -0.0008137000000000, 0.0001557800000000 ] - [ 0.0077611000000000, -0.0018820200000000, -0.0033974400000000 ] - [ -0.0015552700000000, -0.0000517200000000, -0.0001892200000000 ] - [ 0.0001525700000000, 0.0002028600000000, -0.0001246000000000 ] - [ -0.0000704600000000, 0.0001421400000000, -0.0000863900000000 ] - [ -0.0000625700000000, -0.0012490600000000, 0.0015147300000000 ] - [ -0.0016261900000000, 0.0001458200000000, -0.0000404700000000 ] - [ -0.0006533300000000, -0.0000437900000000, 0.0002894400000000 ] - [ -0.0010329400000000, -0.0002107200000000, 0.0001507500000000 ] - [ 0.0001237700000000, 0.0000472600000000, 0.0016934500000000 ] - [ 0.0004763200000000, 0.0003714300000000, -0.0011100700000000 ] - [ 0.0004710600000000, 0.0000298800000000, 0.0001670500000000 ] - [ 0.0004898500000000, -0.0000482000000000, -0.0003547900000000 ] - [ -0.0125118500000000, 0.0065920100000000, 0.0148367100000000 ] - [ -0.0038794900000000, 0.0002065100000000, -0.0008435100000000 ] - [ -0.0007671500000000, 0.0001356300000000, 0.0002468200000000 ] - [ -0.0009601200000000, 0.0001702900000000, 0.0001559300000000 ] - [ -0.0005710200000000, -0.0002679800000000, -0.0011635600000000 ] - [ -0.0006807900000000, -0.0001637500000000, 0.0001336200000000 ] - [ -0.0003125500000000, -0.0001082200000000, -0.0002918400000000 ] - [ -0.0004090700000000, -0.0001023000000000, -0.0002252100000000 ] - [ 0.0002977400000000, -0.0000564000000000, -0.0000162000000000 ] - [ 0.0001877100000000, -0.0001970300000000, 0.0003466700000000 ] - [ 0.0004242600000000, -0.0001422400000000, -0.0003374400000000 ] - [ 0.0002397700000000, 0.0002089000000000, 0.0006852600000000 ] - [ 0.0005581800000000, 0.0020468200000000, -0.0014577900000000 ] - [ 0.0008346600000000, -0.0005247200000000, 0.0005184700000000 ] - [ -0.0000265400000000, -0.0000534000000000, -0.0003472500000000 ] - [ 0.0000536500000000, 0.0001863100000000, -0.0001440700000000 ] - [ -0.0003636300000000, -0.0000258200000000, -0.0002484300000000 ] - [ 0.0002289000000000, -0.0001664100000000, -0.0002489100000000 ] - [ -0.0005882600000000, -0.0004094300000000, -0.0005009600000000 ] - [ 0.0003163000000000, 0.0000043800000000, -0.0002283400000000 ] - [ -0.0038181200000000, 0.0007992000000000, 0.0023564400000000 ] - [ 0.0007975300000000, 0.0003124100000000, 0.0003337400000000 ] - [ -0.0001480300000000, 0.0002768300000000, 0.0000146100000000 ] - [ 0.0000119900000000, 0.0002302400000000, 0.0000582800000000 ] - [ -0.0005927000000000, -0.0016160600000000, -0.0005701000000000 ] - [ 0.0002826100000000, -0.0000423500000000, 0.0004470800000000 ] - [ -0.0001857200000000, -0.0001222100000000, -0.0000808200000000 ] - [ 0.0000383600000000, -0.0003421300000000, 0.0001896400000000 ] - [ 0.0013848800000000, -0.0005839400000000, -0.0005736300000000 ] - [ -0.0073580900000000, -0.0027649600000000, -0.0035419000000000 ] - [ 0.0000721100000000, -0.0002802300000000, -0.0001383400000000 ] - [ -0.0000899600000000, -0.0004075600000000, -0.0000848500000000 ] - [ -0.0001390500000000, 0.0005037200000000, 0.0003198200000000 ] - [ 0.0002662500000000, 0.0000911500000000, -0.0004201700000000 ] - [ -0.0000659200000000, 0.0002186300000000, 0.0001439000000000 ] - [ 0.0000697600000000, 0.0004267000000000, -0.0002445000000000 ] - [ 0.0002844600000000, -0.0000422500000000, 0.0023136600000000 ] - [ 0.0012536200000000, -0.0001280600000000, -0.0010631800000000 ] - [ 0.0000118300000000, -0.0002856500000000, 0.0004087100000000 ] - [ 0.0000313100000000, -0.0002938800000000, 0.0002924400000000 ] - [ 0.0009166100000000, 0.0004108000000000, 0.0001689600000000 ] - [ -0.0026989000000000, -0.0000415400000000, 0.0008142200000000 ] - [ 0.0001860400000000, 0.0001910000000000, 0.0003221600000000 ] - [ -0.0001451300000000, 0.0003630600000000, 0.0003756200000000 ] - [ -0.0024771100000000, -0.0006596600000000, 0.0005045000000000 ] - [ 0.0008189000000000, 0.0002280600000000, 0.0001265700000000 ] - [ -0.0000406800000000, 0.0001718700000000, 0.0002085400000000 ] - [ 0.0004329400000000, 0.0000357100000000, 0.0001644600000000 ] - [ -0.0017589900000000, 0.0011171800000000, -0.0004736800000000 ] - [ 0.0014461100000000, -0.0008653400000000, 0.0003797600000000 ] - [ -0.0004333200000000, -0.0000488500000000, -0.0002143800000000 ] - [ -0.0002902900000000, 0.0002019900000000, -0.0002889700000000 ] - [ 0.0003681600000000, 0.0019115700000000, -0.0026023100000000 ] - [ 0.0011475600000000, -0.0010520000000000, 0.0012182200000000 ] - [ 0.0000047100000000, -0.0001319800000000, -0.0005807200000000 ] - [ 0.0003527700000000, 0.0006332700000000, 0.0003800600000000 ] - [ -0.0003544700000000, 0.0012768600000000, -0.0004605000000000 ] - [ 0.0003346400000000, 0.0000509400000000, 0.0002115500000000 ] - [ -0.0001078600000000, -0.0000878900000000, 0.0000537200000000 ] - [ -0.0000095400000000, 0.0000097100000000, 0.0001170700000000 ] - [ 0.0005730100000000, 0.0011219200000000, -0.0002971700000000 ] - [ -0.0000459900000000, -0.0008348100000000, 0.0002290600000000 ] - [ 0.0012745800000000, -0.0021181900000000, 0.0005490300000000 ] - [ -0.0001112300000000, 0.0015898100000000, -0.0000040000000000 ] - [ -0.0516976000000000, 0.0182859700000000, 0.0543473700000000 ] - [ 0.0030948600000000, -0.0004428200000000, 0.0000080300000000 ] - [ 0.0000503900000000, -0.0003416800000000, 0.0000012700000000 ] - [ 0.0003341700000000, -0.0003256600000000, -0.0000077500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0196651200000000, -0.0545350000000000, -0.0619608900000000 ] - [ 0.0005082100000000, -0.0010013100000000, -0.0003783300000000 ] - [ 0.0004917400000000, 0.0007948100000000, -0.0000930800000000 ] - [ 0.0004699400000000, 0.0006166400000000, -0.0000572400000000 ] - [ 0.0003012800000000, -0.0019209800000000, -0.0001887500000000 ] - [ -0.0003487500000000, -0.0023476400000000, -0.0003158200000000 ] - [ -0.0001681300000000, 0.0007937900000000, -0.0001759200000000 ] - [ -0.0000813500000000, 0.0007592300000000, -0.0001787600000000 ] - [ 0.0016376800000000, -0.0041876600000000, -0.0080516400000000 ] - [ 0.0007165900000000, -0.0015990900000000, 0.0007550900000000 ] - [ 0.0002626600000000, 0.0014127100000000, -0.0009345100000000 ] - [ 0.0003037800000000, 0.0010767100000000, -0.0007962000000000 ] - [ 0.0009461500000000, 0.0003091100000000, -0.0007669900000000 ] - [ -0.0003447200000000, 0.0000049700000000, -0.0006884800000000 ] - [ 0.0004841600000000, 0.0013332600000000, 0.0005449000000000 ] - [ 0.0010982900000000, 0.0011479900000000, 0.0005253700000000 ] - [ -0.0000658900000000, 0.0013052700000000, 0.0006034800000000 ] - [ 0.0000003300000000, 0.0005403600000000, 0.0002728600000000 ] - [ 0.0000319700000000, -0.0000216100000000, -0.0010131100000000 ] - [ -0.0003329500000000, -0.0001669900000000, 0.0004548700000000 ] - [ -0.0026175300000000, 0.0014319400000000, 0.0013872000000000 ] - [ 0.0011332600000000, 0.0001460600000000, 0.0002171200000000 ] - [ -0.0001659600000000, 0.0008693500000000, -0.0000752300000000 ] - [ -0.0005284600000000, 0.0008010100000000, 0.0000173200000000 ] - [ 0.0001605400000000, -0.0010607200000000, -0.0004944500000000 ] - [ 0.0007124300000000, -0.0011689300000000, 0.0005928800000000 ] - [ 0.0006348500000000, 0.0002051600000000, 0.0002535000000000 ] - [ 0.0005019400000000, -0.0000941800000000, 0.0001174600000000 ] - [ 0.0010754400000000, 0.0010106600000000, 0.0000466900000000 ] - [ -0.0000067700000000, 0.0020227300000000, 0.0001332700000000 ] - [ -0.0003208300000000, 0.0007875500000000, 0.0001462700000000 ] - [ 0.0030312600000000, 0.0028753200000000, 0.0009492700000000 ] - [ -0.0003917300000000, -0.0004412900000000, -0.0013254700000000 ] - [ -0.0006841100000000, -0.0001842600000000, 0.0016953200000000 ] - [ -0.0006252300000000, 0.0009801100000000, 0.0001574300000000 ] - [ -0.0005954500000000, 0.0008898300000000, -0.0000969100000000 ] - [ 0.0001686100000000, 0.0010313700000000, -0.0003734500000000 ] - [ -0.0011345800000000, 0.0001582900000000, -0.0001290700000000 ] - [ -0.0020365500000000, 0.0010307800000000, -0.0001259800000000 ] - [ 0.0001244800000000, 0.0001578100000000, -0.0005910000000000 ] - [ 0.0007277900000000, 0.0052847600000000, 0.0160493000000000 ] - [ -0.0002671300000000, -0.0006172100000000, -0.0002715100000000 ] - [ 0.0002404200000000, 0.0012141200000000, -0.0000384400000000 ] - [ 0.0001489600000000, 0.0008781500000000, -0.0000037800000000 ] - [ 0.0002259400000000, -0.0005978800000000, -0.0015725800000000 ] - [ -0.0007833100000000, -0.0006342900000000, 0.0007331500000000 ] - [ -0.0007919000000000, 0.0005461000000000, 0.0003635000000000 ] - [ -0.0006910000000000, 0.0004733600000000, 0.0002617000000000 ] - [ 0.0005334400000000, -0.0000873100000000, 0.0001084800000000 ] - [ 0.0008544700000000, -0.0002999000000000, 0.0002072100000000 ] - [ 0.0005104500000000, 0.0005204500000000, -0.0000340600000000 ] - [ 0.0004329600000000, 0.0005508200000000, -0.0001216200000000 ] - [ -0.0061897800000000, -0.0060570600000000, 0.0035723700000000 ] - [ 0.0000579200000000, -0.0013305200000000, 0.0004568900000000 ] - [ -0.0009272500000000, 0.0008437900000000, 0.0001705000000000 ] - [ -0.0009725700000000, 0.0007828700000000, 0.0001621100000000 ] - [ -0.0001369900000000, 0.0011806500000000, -0.0011219500000000 ] - [ -0.0003775700000000, 0.0008537500000000, -0.0000179800000000 ] - [ -0.0003086600000000, -0.0005790100000000, -0.0002939000000000 ] - [ -0.0003251500000000, -0.0005422100000000, -0.0003294800000000 ] - [ 0.0002444700000000, -0.0004766300000000, 0.0001763700000000 ] - [ 0.0001742700000000, -0.0004547000000000, 0.0002832100000000 ] - [ 0.0002368700000000, -0.0001138400000000, 0.0000109400000000 ] - [ 0.0001519700000000, -0.0002291900000000, -0.0001432500000000 ] - [ -0.0016740300000000, 0.0004530900000000, 0.0009027300000000 ] - [ 0.0008664600000000, 0.0005979600000000, 0.0001498000000000 ] - [ 0.0000583700000000, -0.0004667000000000, -0.0003202900000000 ] - [ -0.0001570800000000, -0.0004056200000000, -0.0002980400000000 ] - [ -0.0001446600000000, -0.0007841000000000, 0.0000978700000000 ] - [ 0.0000421100000000, -0.0003444400000000, -0.0003176900000000 ] - [ 0.0001370400000000, -0.0009472800000000, -0.0012371100000000 ] - [ -0.0000053600000000, -0.0001819300000000, -0.0002427600000000 ] - [ -0.0006860600000000, 0.0035890100000000, 0.0012409200000000 ] - [ -0.0002817300000000, 0.0012626600000000, 0.0000355300000000 ] - [ -0.0000838300000000, -0.0003366400000000, 0.0000688300000000 ] - [ -0.0000761100000000, -0.0002950400000000, 0.0000340900000000 ] - [ 0.0011381900000000, -0.0013419400000000, -0.0003949000000000 ] - [ -0.0005132700000000, -0.0002656800000000, -0.0000823900000000 ] - [ -0.0002449700000000, -0.0008914300000000, 0.0002573800000000 ] - [ 0.0001130100000000, -0.0006243700000000, 0.0001459900000000 ] - [ 0.0004140900000000, 0.0006813500000000, -0.0001272400000000 ] - [ 0.0021697600000000, 0.0035846500000000, 0.0014644900000000 ] - [ -0.0000262700000000, -0.0008791100000000, -0.0001090400000000 ] - [ -0.0000162100000000, -0.0009746200000000, -0.0000614700000000 ] - [ -0.0006790300000000, -0.0009516700000000, -0.0007674000000000 ] - [ 0.0002164400000000, 0.0001880100000000, -0.0000389400000000 ] - [ 0.0001431800000000, -0.0003563800000000, 0.0003590300000000 ] - [ -0.0000939700000000, 0.0001027000000000, -0.0000996500000000 ] - [ -0.0004956800000000, 0.0016687100000000, 0.0000119400000000 ] - [ 0.0004139100000000, 0.0005501200000000, 0.0001379900000000 ] - [ -0.0000176700000000, -0.0008010100000000, 0.0003384300000000 ] - [ -0.0000166600000000, -0.0007357800000000, 0.0003060900000000 ] - [ -0.0002674400000000, 0.0005923100000000, 0.0003429200000000 ] - [ 0.0008930900000000, 0.0019645100000000, 0.0011236100000000 ] - [ 0.0001239000000000, -0.0001831100000000, 0.0003673300000000 ] - [ 0.0000293000000000, -0.0004398200000000, 0.0003118000000000 ] - [ 0.0007687700000000, 0.0008899600000000, -0.0000145100000000 ] - [ 0.0001454000000000, 0.0005143400000000, 0.0003324600000000 ] - [ 0.0002264800000000, -0.0006701200000000, 0.0001730100000000 ] - [ 0.0003029600000000, -0.0002708300000000, 0.0001085600000000 ] - [ -0.0010150300000000, 0.0030334600000000, 0.0005917500000000 ] - [ 0.0003979500000000, 0.0004110400000000, -0.0001270200000000 ] - [ -0.0003722200000000, -0.0005341300000000, -0.0002104500000000 ] - [ -0.0004486500000000, -0.0003751900000000, -0.0001859200000000 ] - [ -0.0012440200000000, 0.0012043100000000, 0.0001104200000000 ] - [ 0.0002716000000000, 0.0011977800000000, 0.0000076600000000 ] - [ 0.0001890100000000, -0.0010147800000000, -0.0004469100000000 ] - [ 0.0001200700000000, -0.0009782900000000, -0.0003452100000000 ] - [ 0.0005492200000000, -0.0008335300000000, 0.0021389700000000 ] - [ 0.0000955800000000, 0.0010021800000000, -0.0014316100000000 ] - [ -0.0000466300000000, -0.0015401700000000, 0.0000321300000000 ] - [ 0.0000457400000000, -0.0009459600000000, 0.0002809900000000 ] - [ -0.0006333200000000, -0.0012812000000000, 0.0007739100000000 ] - [ 0.0010848200000000, -0.0009527300000000, 0.0001839600000000 ] - [ 0.0015689700000000, -0.0018761700000000, -0.0003396200000000 ] - [ -0.0025949300000000, -0.0010583300000000, 0.0000292400000000 ] - [ -0.0176239100000000, 0.0459333300000000, 0.0460413100000000 ] - [ -0.0002944300000000, 0.0013556800000000, -0.0001671200000000 ] - [ 0.0001926400000000, -0.0017284900000000, 0.0001269100000000 ] - [ 0.0002548000000000, -0.0013827900000000, 0.0000709800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0186943300000000, 0.0550705900000000, 0.0613873800000000 ] - [ 0.0004761000000000, 0.0009899200000000, 0.0001378500000000 ] - [ 0.0004913000000000, -0.0008107400000000, -0.0001483600000000 ] - [ 0.0005079800000000, -0.0006246400000000, -0.0001706700000000 ] - [ -0.0002439400000000, 0.0016250500000000, -0.0000153200000000 ] - [ 0.0004068700000000, 0.0020424400000000, 0.0001183900000000 ] - [ 0.0002259300000000, -0.0010859600000000, -0.0000270400000000 ] - [ 0.0001337200000000, -0.0010461800000000, -0.0000268400000000 ] - [ -0.0007419400000000, 0.0045032700000000, 0.0073259700000000 ] - [ 0.0001906800000000, 0.0018386400000000, -0.0014323100000000 ] - [ 0.0006435200000000, -0.0011755500000000, 0.0002580800000000 ] - [ 0.0006028900000000, -0.0008400200000000, 0.0001208000000000 ] - [ -0.0000400800000000, -0.0005536600000000, 0.0000821500000000 ] - [ 0.0012467200000000, -0.0002281100000000, 0.0000231200000000 ] - [ 0.0004199700000000, -0.0015783900000000, -0.0012308700000000 ] - [ -0.0001977200000000, -0.0013914300000000, -0.0012087800000000 ] - [ -0.0002177500000000, -0.0013190900000000, -0.0001498300000000 ] - [ -0.0002881500000000, -0.0005600100000000, 0.0001772400000000 ] - [ -0.0003159900000000, 0.0000266700000000, 0.0014787600000000 ] - [ 0.0000529200000000, 0.0001629800000000, 0.0000024100000000 ] - [ 0.0023402800000000, -0.0014124500000000, -0.0009431300000000 ] - [ -0.0014211500000000, -0.0001324000000000, 0.0002363100000000 ] - [ -0.0001192700000000, -0.0008561500000000, 0.0005289700000000 ] - [ 0.0002498600000000, -0.0008005600000000, 0.0004426700000000 ] - [ 0.0011112800000000, -0.0001560700000000, 0.0008070500000000 ] - [ 0.0005649600000000, -0.0000527300000000, -0.0002821500000000 ] - [ 0.0006430300000000, -0.0014323300000000, 0.0000574400000000 ] - [ 0.0007869300000000, -0.0011348000000000, 0.0001938000000000 ] - [ 0.0002093300000000, 0.0002155100000000, 0.0002646800000000 ] - [ 0.0012686000000000, -0.0007910100000000, 0.0001822500000000 ] - [ 0.0016163300000000, 0.0004415600000000, 0.0001633400000000 ] - [ -0.0017661200000000, -0.0016592300000000, -0.0006446800000000 ] - [ -0.0007825400000000, 0.0009771800000000, 0.0011829400000000 ] - [ -0.0004887900000000, 0.0007151900000000, -0.0018242900000000 ] - [ -0.0005494500000000, -0.0004512900000000, -0.0002801500000000 ] - [ -0.0005805700000000, -0.0003593200000000, -0.0000208000000000 ] - [ -0.0013432700000000, -0.0015609500000000, 0.0002511200000000 ] - [ -0.0000349200000000, -0.0006865900000000, -0.0000022700000000 ] - [ 0.0008726400000000, -0.0015678700000000, 0.0000043500000000 ] - [ -0.0013035200000000, -0.0006863400000000, 0.0004688300000000 ] - [ -0.0006489000000000, -0.0049780400000000, -0.0160880300000000 ] - [ 0.0003303600000000, 0.0009129200000000, 0.0000721500000000 ] - [ -0.0001814200000000, -0.0009170100000000, -0.0001590500000000 ] - [ -0.0000931100000000, -0.0005883200000000, -0.0001994700000000 ] - [ -0.0019112800000000, 0.0003073500000000, 0.0019778000000000 ] - [ -0.0009243200000000, 0.0003475300000000, -0.0003217600000000 ] - [ -0.0009015000000000, -0.0008298800000000, 0.0000464900000000 ] - [ -0.0009977800000000, -0.0007563600000000, 0.0001484300000000 ] - [ 0.0004479800000000, 0.0000910700000000, -0.0003431900000000 ] - [ 0.0001286800000000, 0.0003132600000000, -0.0004533600000000 ] - [ 0.0004691300000000, -0.0005109600000000, -0.0001956700000000 ] - [ 0.0005428700000000, -0.0005441100000000, -0.0001009600000000 ] - [ 0.0045421200000000, 0.0062806000000000, -0.0031953800000000 ] - [ -0.0017582000000000, 0.0016122700000000, -0.0000444100000000 ] - [ -0.0007705100000000, -0.0005605000000000, 0.0002413100000000 ] - [ -0.0007178900000000, -0.0004993500000000, 0.0002491100000000 ] - [ -0.0005842500000000, -0.0013759600000000, 0.0006198300000000 ] - [ -0.0003459300000000, -0.0010519200000000, -0.0004908900000000 ] - [ -0.0004141300000000, 0.0003798400000000, -0.0002171800000000 ] - [ -0.0003976500000000, 0.0003429900000000, -0.0001809400000000 ] - [ 0.0002141100000000, 0.0002876200000000, 0.0001894400000000 ] - [ 0.0002848600000000, 0.0002643300000000, 0.0000830800000000 ] - [ 0.0002201000000000, -0.0000784100000000, 0.0003556900000000 ] - [ 0.0003085000000000, 0.0000375700000000, 0.0005101900000000 ] - [ 0.0016692800000000, -0.0002948200000000, -0.0014182300000000 ] - [ -0.0008775600000000, -0.0004331100000000, -0.0006599800000000 ] - [ -0.0000670100000000, 0.0006359200000000, -0.0001888900000000 ] - [ 0.0001480600000000, 0.0005746300000000, -0.0002099300000000 ] - [ 0.0001331300000000, 0.0006137200000000, -0.0006038900000000 ] - [ -0.0000502600000000, 0.0001768900000000, -0.0001894200000000 ] - [ -0.0001472500000000, 0.0007813100000000, 0.0007363700000000 ] - [ -0.0000038600000000, 0.0000108200000000, -0.0002635500000000 ] - [ 0.0005689100000000, -0.0030598100000000, -0.0011843300000000 ] - [ 0.0001542400000000, -0.0007395200000000, 0.0000447300000000 ] - [ -0.0000455000000000, 0.0008611100000000, 0.0000109200000000 ] - [ -0.0000529900000000, 0.0008197900000000, 0.0000459100000000 ] - [ -0.0012638400000000, 0.0008271000000000, 0.0004725900000000 ] - [ 0.0003830500000000, -0.0002572300000000, 0.0001617300000000 ] - [ 0.0001174200000000, 0.0003676900000000, -0.0001805700000000 ] - [ -0.0002428400000000, 0.0001002800000000, -0.0000674000000000 ] - [ -0.0004422800000000, -0.0013390100000000, -0.0000953900000000 ] - [ -0.0022655100000000, -0.0042512100000000, -0.0017420000000000 ] - [ -0.0000003500000000, 0.0002243900000000, -0.0001149700000000 ] - [ -0.0000105100000000, 0.0003187600000000, -0.0001621100000000 ] - [ 0.0006541300000000, 0.0016095700000000, 0.0005430000000000 ] - [ -0.0002451700000000, 0.0004701000000000, -0.0001841600000000 ] - [ -0.0001708200000000, 0.0010136800000000, -0.0005893300000000 ] - [ 0.0000666500000000, 0.0005522100000000, -0.0001245800000000 ] - [ 0.0005470700000000, -0.0022265800000000, 0.0006936000000000 ] - [ -0.0003778900000000, -0.0011137400000000, 0.0005683900000000 ] - [ 0.0000619000000000, 0.0002407900000000, 0.0003612000000000 ] - [ 0.0000605900000000, 0.0001753300000000, 0.0003940300000000 ] - [ 0.0003103700000000, -0.0000303000000000, 0.0003576300000000 ] - [ -0.0009137000000000, -0.0012591900000000, -0.0004954000000000 ] - [ -0.0000796800000000, 0.0007448700000000, 0.0003329900000000 ] - [ 0.0000154400000000, 0.0010031000000000, 0.0003895100000000 ] - [ -0.0002594900000000, -0.0009751000000000, 0.0004594700000000 ] - [ 0.0003128600000000, -0.0003265400000000, 0.0000317100000000 ] - [ 0.0002318100000000, 0.0008608500000000, 0.0001911700000000 ] - [ 0.0001562100000000, 0.0004617800000000, 0.0002564000000000 ] - [ 0.0003972600000000, -0.0027483300000000, -0.0010941800000000 ] - [ -0.0011257400000000, -0.0002057300000000, -0.0003909900000000 ] - [ -0.0003509200000000, 0.0007353100000000, -0.0002998300000000 ] - [ -0.0002739100000000, 0.0005752900000000, -0.0003251000000000 ] - [ 0.0016143200000000, -0.0005947600000000, -0.0001318200000000 ] - [ 0.0001196300000000, -0.0005895300000000, -0.0000325200000000 ] - [ 0.0001982700000000, 0.0016245600000000, 0.0004253600000000 ] - [ 0.0002721800000000, 0.0015889500000000, 0.0003246500000000 ] - [ -0.0006010000000000, 0.0008065100000000, -0.0019351400000000 ] - [ -0.0001672700000000, -0.0009852500000000, 0.0016245700000000 ] - [ -0.0000237400000000, 0.0015658900000000, 0.0001558500000000 ] - [ -0.0001212700000000, 0.0009771800000000, -0.0001005000000000 ] - [ 0.0005576100000000, 0.0012602300000000, -0.0005880700000000 ] - [ -0.0011266400000000, 0.0009340700000000, 0.0000020600000000 ] - [ -0.0016469500000000, 0.0018528900000000, 0.0005305700000000 ] - [ 0.0025418700000000, 0.0010337900000000, 0.0001572200000000 ] - [ 0.0178952300000000, -0.0470474600000000, -0.0457674800000000 ] - [ 0.0006819900000000, -0.0019690000000000, 0.0001427300000000 ] - [ 0.0001889700000000, 0.0011259100000000, -0.0001628700000000 ] - [ 0.0001213100000000, 0.0007792600000000, -0.0001033400000000 ]- atom: 1 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0949067800000000, -0.0637331000000000, -0.2192769600000000 ] - [ -0.0005012000000000, -0.0002240900000000, 0.0000873200000000 ] - [ 0.0005673900000000, 0.0000302100000000, -0.0002814300000000 ] - [ 0.0004196900000000, 0.0000559100000000, -0.0000851200000000 ] - [ -0.0029622000000000, -0.0020680900000000, 0.0019079300000000 ] - [ 0.0017131900000000, -0.0007858900000000, -0.0000084500000000 ] - [ -0.0000886600000000, 0.0001056600000000, 0.0000122900000000 ] - [ 0.0001001700000000, -0.0001036600000000, -0.0000898200000000 ] - [ 0.0045258000000000, -0.0118901200000000, 0.0174599400000000 ] - [ 0.0000111100000000, -0.0004214000000000, 0.0005106600000000 ] - [ 0.0004282100000000, 0.0004624800000000, -0.0005508100000000 ] - [ 0.0004276800000000, 0.0001616600000000, -0.0003311400000000 ] - [ -0.0003184500000000, -0.0015800200000000, -0.0004700000000000 ] - [ 0.0010265400000000, -0.0001744900000000, -0.0005168000000000 ] - [ 0.0003681700000000, 0.0010970600000000, 0.0003210200000000 ] - [ 0.0006332600000000, -0.0000539500000000, -0.0002721600000000 ] - [ -0.0000485300000000, 0.0009783400000000, 0.0005993100000000 ] - [ -0.0001429300000000, -0.0000299800000000, 0.0002859800000000 ] - [ -0.0003988600000000, -0.0028349900000000, 0.0003861400000000 ] - [ -0.0000753700000000, 0.0004970600000000, 0.0008493600000000 ] - [ -0.0026526600000000, 0.0038160600000000, -0.0002902900000000 ] - [ 0.0006370800000000, 0.0002261600000000, -0.0000248000000000 ] - [ -0.0001406700000000, -0.0003436900000000, 0.0001403200000000 ] - [ -0.0001103500000000, 0.0001957300000000, 0.0000541600000000 ] - [ 0.0031911200000000, -0.0021953400000000, 0.0007682000000000 ] - [ -0.0006368000000000, -0.0005419900000000, 0.0017895900000000 ] - [ 0.0008388700000000, -0.0002590500000000, 0.0001971900000000 ] - [ 0.0005149100000000, -0.0005918600000000, 0.0002931600000000 ] - [ 0.0002349900000000, 0.0004055100000000, 0.0000600100000000 ] - [ 0.0011142900000000, 0.0003449000000000, -0.0004029700000000 ] - [ -0.0005282600000000, 0.0010045900000000, 0.0001640500000000 ] - [ 0.0015191600000000, 0.0010586300000000, -0.0005124800000000 ] - [ -0.0011207400000000, -0.0008942400000000, 0.0036788500000000 ] - [ 0.0005827700000000, 0.0017726900000000, 0.0029059400000000 ] - [ -0.0006792700000000, 0.0004753800000000, 0.0002378800000000 ] - [ -0.0005143700000000, 0.0002330500000000, 0.0000001300000000 ] - [ -0.0003642300000000, -0.0010322500000000, -0.0008791600000000 ] - [ -0.0008666400000000, 0.0005764100000000, -0.0006099600000000 ] - [ -0.0005762100000000, 0.0004212000000000, -0.0010296700000000 ] - [ -0.0006727800000000, -0.0005168700000000, -0.0004871000000000 ] - [ 0.0058996800000000, 0.0109134100000000, 0.0067185500000000 ] - [ -0.0012135900000000, -0.0000722400000000, 0.0001390200000000 ] - [ 0.0000916900000000, 0.0000800000000000, -0.0002588800000000 ] - [ -0.0000074900000000, 0.0002590000000000, -0.0000575300000000 ] - [ -0.0023642200000000, -0.0031486500000000, 0.0032083300000000 ] - [ -0.0001893300000000, 0.0000324600000000, 0.0009243700000000 ] - [ -0.0008310100000000, 0.0001231200000000, 0.0003370900000000 ] - [ -0.0007656600000000, -0.0002092600000000, 0.0002998900000000 ] - [ -0.0012108800000000, -0.0001602800000000, 0.0027266600000000 ] - [ 0.0013060900000000, -0.0000618000000000, 0.0002779400000000 ] - [ 0.0002389900000000, -0.0000466100000000, 0.0002338400000000 ] - [ 0.0006770200000000, -0.0000262600000000, -0.0000945600000000 ] - [ -0.0178590600000000, 0.0065106600000000, 0.0095660000000000 ] - [ -0.0020005300000000, 0.0001517000000000, -0.0007916900000000 ] - [ -0.0008710100000000, 0.0001569900000000, 0.0001531300000000 ] - [ -0.0008610900000000, 0.0002233900000000, 0.0001610000000000 ] - [ 0.0003739200000000, -0.0007513700000000, -0.0027686900000000 ] - [ -0.0011389300000000, 0.0003003300000000, -0.0014357200000000 ] - [ -0.0002822300000000, -0.0000954000000000, -0.0003359200000000 ] - [ -0.0004236900000000, -0.0001509400000000, -0.0002560900000000 ] - [ 0.0004637900000000, -0.0000552900000000, -0.0001227800000000 ] - [ 0.0000273200000000, -0.0001081300000000, 0.0001479900000000 ] - [ 0.0011464200000000, -0.0000534300000000, -0.0006315500000000 ] - [ -0.0004219400000000, -0.0002240300000000, 0.0000013100000000 ] - [ 0.0015762000000000, 0.0024284200000000, -0.0004891100000000 ] - [ -0.0001575500000000, -0.0000356500000000, 0.0004386500000000 ] - [ 0.0000794500000000, -0.0001418900000000, -0.0002441600000000 ] - [ -0.0000685900000000, 0.0000779100000000, -0.0001464000000000 ] - [ -0.0001333600000000, 0.0004711600000000, -0.0002844300000000 ] - [ 0.0001100800000000, -0.0001732900000000, -0.0004187400000000 ] - [ -0.0001996200000000, -0.0013202900000000, -0.0006203300000000 ] - [ -0.0000313300000000, 0.0002269700000000, -0.0007040800000000 ] - [ -0.0043029000000000, 0.0014692200000000, 0.0074072000000000 ] - [ -0.0003935200000000, 0.0002855200000000, -0.0003177300000000 ] - [ -0.0001036900000000, 0.0002611000000000, 0.0000453300000000 ] - [ -0.0000476400000000, 0.0002030500000000, -0.0000041400000000 ] - [ 0.0005864900000000, -0.0024561500000000, -0.0002943100000000 ] - [ -0.0001104400000000, -0.0001478500000000, 0.0002491700000000 ] - [ 0.0000824300000000, 0.0000918000000000, 0.0001907900000000 ] - [ -0.0001255800000000, -0.0003700100000000, 0.0001339400000000 ] - [ 0.0018387800000000, -0.0006400300000000, -0.0006281500000000 ] - [ -0.0017542400000000, -0.0003647900000000, 0.0018536600000000 ] - [ 0.0000733500000000, -0.0003271900000000, -0.0001615800000000 ] - [ -0.0000796800000000, -0.0003585800000000, -0.0000763900000000 ] - [ -0.0009027200000000, -0.0007640300000000, -0.0002527300000000 ] - [ 0.0004296400000000, 0.0001594500000000, -0.0006524300000000 ] - [ -0.0003057100000000, 0.0006793300000000, 0.0001776800000000 ] - [ 0.0001789100000000, 0.0002738300000000, -0.0002360800000000 ] - [ -0.0019560500000000, -0.0002800300000000, 0.0004444200000000 ] - [ 0.0020042400000000, -0.0000037100000000, -0.0017124900000000 ] - [ -0.0000518800000000, -0.0003214500000000, 0.0003857200000000 ] - [ 0.0000801800000000, -0.0003258600000000, 0.0002899500000000 ] - [ 0.0008243800000000, 0.0003679200000000, 0.0002180600000000 ] - [ -0.0026124200000000, 0.0015262700000000, 0.0025166600000000 ] - [ 0.0001612100000000, 0.0001868000000000, 0.0002883900000000 ] - [ -0.0000844500000000, 0.0001587300000000, 0.0004253100000000 ] - [ -0.0015431100000000, -0.0005861300000000, 0.0033948000000000 ] - [ 0.0006002100000000, 0.0002955400000000, 0.0001185400000000 ] - [ 0.0000604600000000, -0.0000395100000000, 0.0004561400000000 ] - [ 0.0003817500000000, 0.0000223100000000, 0.0001616500000000 ] - [ -0.0011803500000000, 0.0012890100000000, 0.0024294800000000 ] - [ 0.0010069000000000, -0.0006975900000000, 0.0009676400000000 ] - [ -0.0004340200000000, -0.0000476100000000, -0.0001499200000000 ] - [ -0.0003139000000000, 0.0000873500000000, -0.0002604600000000 ] - [ 0.0032849900000000, 0.0031427500000000, -0.0028219800000000 ] - [ -0.0009568200000000, 0.0007773400000000, -0.0004552600000000 ] - [ 0.0002564100000000, -0.0001790400000000, -0.0007021000000000 ] - [ 0.0000972500000000, 0.0002539900000000, -0.0000880600000000 ] - [ -0.0032533900000000, 0.0092683500000000, -0.0059476600000000 ] - [ 0.0009246900000000, -0.0004755900000000, -0.0025560400000000 ] - [ -0.0002268800000000, -0.0007108800000000, -0.0001417900000000 ] - [ 0.0000269100000000, 0.0000131700000000, 0.0000142900000000 ] - [ 0.0004275600000000, 0.0010737600000000, 0.0007264500000000 ] - [ -0.0006302000000000, -0.0003237300000000, 0.0009344900000000 ] - [ 0.0014793000000000, -0.0026097400000000, 0.0010977800000000 ] - [ -0.0007106800000000, -0.0000473100000000, 0.0005181400000000 ] - [ -0.0761717100000000, 0.0519673200000000, 0.1700708300000000 ] - [ 0.0016886100000000, 0.0002624000000000, -0.0005075000000000 ] - [ 0.0002051100000000, -0.0003852000000000, 0.0002359300000000 ] - [ 0.0002307300000000, -0.0004185900000000, -0.0000490900000000 ]- atom: 1 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0906615600000000, 0.0599893100000000, 0.2093274200000000 ] - [ 0.0014786100000000, 0.0002126400000000, -0.0003177200000000 ] - [ 0.0004100400000000, -0.0000394300000000, 0.0000526300000000 ] - [ 0.0005668000000000, -0.0000707600000000, -0.0001611800000000 ] - [ 0.0030350400000000, 0.0017915200000000, -0.0021077300000000 ] - [ -0.0016305800000000, 0.0004684400000000, -0.0001729900000000 ] - [ 0.0001520900000000, -0.0004080100000000, -0.0002091600000000 ] - [ -0.0000434600000000, -0.0001897400000000, -0.0001085200000000 ] - [ -0.0035527900000000, 0.0119637100000000, -0.0178580400000000 ] - [ 0.0008845800000000, 0.0006772600000000, -0.0012076400000000 ] - [ 0.0004766800000000, -0.0002172400000000, -0.0001323900000000 ] - [ 0.0004805000000000, 0.0000694600000000, -0.0003395800000000 ] - [ 0.0012222700000000, 0.0013406000000000, -0.0002052900000000 ] - [ -0.0001154700000000, -0.0000719200000000, -0.0001660600000000 ] - [ 0.0005365000000000, -0.0013386600000000, -0.0009988600000000 ] - [ 0.0002720000000000, -0.0001920200000000, -0.0004125700000000 ] - [ -0.0002395500000000, -0.0009994100000000, -0.0001524100000000 ] - [ -0.0001421300000000, 0.0000188700000000, 0.0001660000000000 ] - [ 0.0001129600000000, 0.0028051700000000, 0.0000577300000000 ] - [ -0.0002185300000000, -0.0005245600000000, -0.0004040700000000 ] - [ 0.0023671000000000, -0.0038156300000000, 0.0007575100000000 ] - [ -0.0009129300000000, -0.0002019700000000, 0.0004718100000000 ] - [ -0.0001500900000000, 0.0003636200000000, 0.0003100500000000 ] - [ -0.0001842000000000, -0.0001650300000000, 0.0003888100000000 ] - [ -0.0018943400000000, 0.0009595900000000, -0.0004573900000000 ] - [ 0.0019196700000000, -0.0006941800000000, -0.0014868100000000 ] - [ 0.0004462500000000, -0.0009681500000000, 0.0001134100000000 ] - [ 0.0007632200000000, -0.0006335600000000, 0.0000174300000000 ] - [ 0.0010493900000000, 0.0008228600000000, 0.0002509700000000 ] - [ 0.0001868400000000, 0.0008762800000000, 0.0007120000000000 ] - [ 0.0018152500000000, 0.0002194300000000, 0.0001492900000000 ] - [ -0.0002276000000000, 0.0001835300000000, 0.0008275300000000 ] - [ -0.0000543300000000, 0.0014182200000000, -0.0037811900000000 ] - [ -0.0017832800000000, -0.0012460400000000, -0.0030196400000000 ] - [ -0.0004969500000000, 0.0000596800000000, -0.0003537400000000 ] - [ -0.0006604900000000, 0.0002978500000000, -0.0001226800000000 ] - [ -0.0008177700000000, 0.0004945200000000, 0.0007665900000000 ] - [ -0.0003125900000000, -0.0011121200000000, 0.0005048700000000 ] - [ -0.0006096300000000, -0.0009530700000000, 0.0009176100000000 ] - [ -0.0005002800000000, -0.0000161700000000, 0.0003645600000000 ] - [ -0.0057446200000000, -0.0104883400000000, -0.0068897400000000 ] - [ 0.0012625600000000, 0.0003647600000000, -0.0003414100000000 ] - [ -0.0000363900000000, 0.0002113600000000, 0.0000562200000000 ] - [ 0.0000725800000000, 0.0000467800000000, -0.0001394500000000 ] - [ 0.0006645300000000, 0.0028858600000000, -0.0027976900000000 ] - [ -0.0015077000000000, -0.0003182500000000, -0.0005144600000000 ] - [ -0.0008681100000000, -0.0004081400000000, 0.0000752000000000 ] - [ -0.0009178300000000, -0.0000753500000000, 0.0001122300000000 ] - [ 0.0021941300000000, 0.0001794300000000, -0.0029622200000000 ] - [ -0.0003216200000000, 0.0000762800000000, -0.0005230100000000 ] - [ 0.0007437900000000, 0.0000584200000000, -0.0004746200000000 ] - [ 0.0003004400000000, 0.0000363400000000, -0.0001353300000000 ] - [ 0.0158169000000000, -0.0060926600000000, -0.0090191800000000 ] - [ 0.0003003100000000, 0.0001321200000000, 0.0012025800000000 ] - [ -0.0008118700000000, 0.0001274800000000, 0.0002559800000000 ] - [ -0.0008438400000000, 0.0000625900000000, 0.0002501600000000 ] - [ -0.0011045000000000, 0.0005473800000000, 0.0022557300000000 ] - [ 0.0004243400000000, -0.0005025500000000, 0.0009245000000000 ] - [ -0.0004426100000000, -0.0001024800000000, -0.0001750600000000 ] - [ -0.0002999500000000, -0.0000473700000000, -0.0002553700000000 ] - [ -0.0000045300000000, -0.0001358800000000, 0.0004883300000000 ] - [ 0.0004344800000000, -0.0000799600000000, 0.0002151100000000 ] - [ -0.0006884200000000, -0.0001300400000000, 0.0009969300000000 ] - [ 0.0008831600000000, 0.0000334200000000, 0.0003584000000000 ] - [ -0.0015893500000000, -0.0022486800000000, -0.0000085400000000 ] - [ 0.0001534700000000, 0.0002048000000000, -0.0009444400000000 ] - [ -0.0000908800000000, 0.0003136300000000, -0.0002624700000000 ] - [ 0.0000588100000000, 0.0000939300000000, -0.0003614800000000 ] - [ 0.0001261700000000, -0.0006421900000000, -0.0002259300000000 ] - [ -0.0001223100000000, 0.0000014900000000, -0.0000877600000000 ] - [ 0.0001941100000000, 0.0011554500000000, 0.0001093500000000 ] - [ 0.0000182700000000, -0.0003971900000000, 0.0001952100000000 ] - [ 0.0044833300000000, -0.0010934300000000, -0.0078967200000000 ] - [ 0.0002593900000000, 0.0002374900000000, 0.0003978100000000 ] - [ -0.0000224300000000, 0.0002621000000000, 0.0000343900000000 ] - [ -0.0000800700000000, 0.0003206800000000, 0.0000851400000000 ] - [ -0.0007221500000000, 0.0019299400000000, 0.0003783900000000 ] - [ -0.0000146800000000, -0.0003762500000000, -0.0001687800000000 ] - [ -0.0002111300000000, -0.0006158000000000, -0.0001078700000000 ] - [ -0.0000010500000000, -0.0001521000000000, -0.0000538400000000 ] - [ -0.0018767300000000, -0.0000129200000000, 0.0003983800000000 ] - [ 0.0017544100000000, -0.0002769400000000, -0.0020603300000000 ] - [ -0.0001023600000000, -0.0003280100000000, -0.0000639500000000 ] - [ 0.0000518100000000, -0.0002959100000000, -0.0001487700000000 ] - [ 0.0008775100000000, 0.0014236700000000, 0.0000289300000000 ] - [ -0.0004564200000000, 0.0004920500000000, 0.0004275600000000 ] - [ 0.0002783400000000, -0.0000244600000000, -0.0004005700000000 ] - [ -0.0002072500000000, 0.0003833900000000, 0.0000112200000000 ] - [ 0.0020066600000000, -0.0002864000000000, 0.0002663800000000 ] - [ -0.0019558200000000, -0.0005626200000000, 0.0024147900000000 ] - [ 0.0000983600000000, -0.0002425000000000, 0.0003126600000000 ] - [ -0.0000343400000000, -0.0002385600000000, 0.0004090400000000 ] - [ -0.0007794100000000, 0.0001947700000000, 0.0004798500000000 ] - [ 0.0026550400000000, -0.0009545600000000, -0.0018262800000000 ] - [ -0.0001158600000000, 0.0003777900000000, 0.0004102400000000 ] - [ 0.0001315800000000, 0.0004033600000000, 0.0002728700000000 ] - [ 0.0020116800000000, 0.0007670800000000, -0.0030375600000000 ] - [ -0.0001414400000000, -0.0001043400000000, 0.0002484000000000 ] - [ 0.0004009900000000, 0.0002298900000000, -0.0000919100000000 ] - [ 0.0000788500000000, 0.0001664100000000, 0.0002040400000000 ] - [ 0.0005153100000000, -0.0010482400000000, -0.0029448400000000 ] - [ -0.0017338100000000, 0.0008933600000000, -0.0014685200000000 ] - [ -0.0002895700000000, 0.0002454500000000, -0.0003616600000000 ] - [ -0.0004110400000000, 0.0001104600000000, -0.0002502800000000 ] - [ -0.0029027600000000, -0.0025531200000000, 0.0028036300000000 ] - [ 0.0013417500000000, -0.0001443700000000, 0.0004382300000000 ] - [ 0.0001323700000000, 0.0008019700000000, 0.0006896500000000 ] - [ 0.0003252900000000, 0.0003407900000000, 0.0000569200000000 ] - [ 0.0031696700000000, -0.0091884400000000, 0.0061138000000000 ] - [ -0.0010026600000000, 0.0004988300000000, 0.0027544200000000 ] - [ 0.0001255600000000, 0.0007463100000000, 0.0003198200000000 ] - [ -0.0001039500000000, 0.0000245800000000, 0.0001573400000000 ] - [ -0.0004984300000000, -0.0011079100000000, -0.0005580700000000 ] - [ 0.0005518300000000, 0.0002890400000000, -0.0007509200000000 ] - [ -0.0015508900000000, 0.0025845700000000, -0.0009321200000000 ] - [ 0.0005933300000000, 0.0000296700000000, -0.0003162600000000 ] - [ 0.0730715300000000, -0.0488844400000000, -0.1602807400000000 ] - [ -0.0012586000000000, -0.0008786900000000, 0.0004916400000000 ] - [ 0.0001849500000000, -0.0002189600000000, -0.0002745700000000 ] - [ 0.0001525600000000, -0.0002020000000000, 0.0000306700000000 ]- atom: 5 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0016624200000000, 0.0002641600000000, -0.0029417900000000 ] - [ 0.0018120800000000, -0.0003871000000000, 0.0028011300000000 ] - [ 0.0005282000000000, -0.0002026400000000, -0.0002333200000000 ] - [ 0.0004805000000000, -0.0001215100000000, -0.0000457300000000 ] - [ -0.0977514400000000, 0.0788778700000000, -0.0354148100000000 ] - [ 0.0021209200000000, -0.0002379500000000, 0.0000583900000000 ] - [ -0.0000260500000000, -0.0003820100000000, -0.0000798100000000 ] - [ 0.0001479300000000, -0.0003543900000000, -0.0000654700000000 ] - [ 0.0004473600000000, 0.0004007400000000, -0.0026253700000000 ] - [ 0.0008187200000000, -0.0004727700000000, 0.0014434100000000 ] - [ 0.0004601800000000, -0.0000165200000000, -0.0003550100000000 ] - [ 0.0005492300000000, -0.0002851900000000, -0.0000127300000000 ] - [ -0.0059664500000000, -0.0048479800000000, -0.0042231400000000 ] - [ 0.0017192900000000, 0.0007035100000000, 0.0003950300000000 ] - [ 0.0001846500000000, -0.0003871000000000, -0.0005367500000000 ] - [ 0.0005665400000000, -0.0003231900000000, -0.0003941600000000 ] - [ -0.0003625800000000, 0.0000165200000000, 0.0001258800000000 ] - [ 0.0000861500000000, -0.0003116600000000, 0.0005918200000000 ] - [ -0.0003540600000000, -0.0006821600000000, -0.0005832400000000 ] - [ 0.0000850400000000, 0.0002784700000000, 0.0008308900000000 ] - [ -0.0021521800000000, 0.0004999300000000, -0.0002967100000000 ] - [ 0.0004605200000000, -0.0002865200000000, 0.0003702100000000 ] - [ -0.0005861400000000, -0.0007147800000000, -0.0003008300000000 ] - [ 0.0001862300000000, 0.0000395900000000, 0.0003853500000000 ] - [ 0.0014564400000000, -0.0009167400000000, -0.0003557100000000 ] - [ 0.0003339500000000, -0.0001088200000000, 0.0008021300000000 ] - [ 0.0006938600000000, -0.0006038600000000, 0.0000839000000000 ] - [ 0.0006525200000000, -0.0009588600000000, 0.0003725300000000 ] - [ -0.0011173000000000, 0.0016364800000000, 0.0000571500000000 ] - [ 0.0015360700000000, 0.0002910300000000, -0.0001653300000000 ] - [ 0.0000838600000000, -0.0004746400000000, 0.0004488200000000 ] - [ 0.0009190200000000, 0.0007012000000000, 0.0000190700000000 ] - [ 0.0009365900000000, -0.0022188400000000, -0.0020729200000000 ] - [ 0.0004762700000000, 0.0015426600000000, 0.0015876800000000 ] - [ -0.0007126200000000, 0.0002424200000000, -0.0001360700000000 ] - [ -0.0004161600000000, -0.0001209400000000, 0.0000940100000000 ] - [ -0.0009802300000000, -0.0004392100000000, -0.0006568600000000 ] - [ -0.0003191300000000, -0.0000721200000000, 0.0002058500000000 ] - [ -0.0007973600000000, -0.0003403600000000, -0.0000953500000000 ] - [ -0.0004983700000000, -0.0004106100000000, -0.0000098600000000 ] - [ 0.0004006000000000, 0.0004358500000000, -0.0022071500000000 ] - [ 0.0006908100000000, 0.0007780800000000, 0.0018373400000000 ] - [ -0.0000216300000000, -0.0000909000000000, -0.0001937500000000 ] - [ 0.0000216200000000, -0.0000234400000000, -0.0000517000000000 ] - [ 0.0148924400000000, -0.0117635900000000, 0.0057085000000000 ] - [ 0.0034392400000000, 0.0009539800000000, -0.0003768600000000 ] - [ -0.0009845100000000, -0.0002535100000000, 0.0001933300000000 ] - [ -0.0007565400000000, -0.0003571500000000, 0.0001915200000000 ] - [ -0.0072283100000000, -0.0007351500000000, 0.0017169600000000 ] - [ 0.0020813000000000, 0.0003103600000000, -0.0005375200000000 ] - [ 0.0003670800000000, -0.0002028700000000, -0.0001155000000000 ] - [ 0.0005977100000000, -0.0001135300000000, -0.0000958200000000 ] - [ -0.0007612600000000, 0.0002533900000000, -0.0005200100000000 ] - [ -0.0012262800000000, 0.0003354500000000, 0.0017637500000000 ] - [ -0.0008499500000000, -0.0000086600000000, 0.0001851700000000 ] - [ -0.0008151100000000, -0.0000128200000000, 0.0002397600000000 ] - [ 0.0028205700000000, -0.0000958800000000, -0.0010972500000000 ] - [ -0.0021279900000000, -0.0009339300000000, -0.0015425000000000 ] - [ -0.0003395600000000, 0.0000166900000000, -0.0002408000000000 ] - [ -0.0004085800000000, 0.0000276200000000, -0.0002502200000000 ] - [ 0.0007561000000000, 0.0001165200000000, 0.0001477200000000 ] - [ -0.0001753400000000, -0.0000375500000000, 0.0001586500000000 ] - [ 0.0008606500000000, 0.0003490400000000, 0.0003491700000000 ] - [ -0.0001292200000000, -0.0001320500000000, 0.0001432600000000 ] - [ 0.0001853600000000, 0.0000644100000000, -0.0001105700000000 ] - [ -0.0000214800000000, 0.0002681500000000, -0.0005376800000000 ] - [ 0.0000383300000000, 0.0001896700000000, -0.0002904000000000 ] - [ -0.0000071900000000, 0.0001280000000000, -0.0002553000000000 ] - [ -0.0001909600000000, 0.0015738500000000, 0.0000580900000000 ] - [ -0.0002410600000000, -0.0009526600000000, -0.0001126600000000 ] - [ 0.0000432500000000, -0.0006037500000000, -0.0002078100000000 ] - [ -0.0002913100000000, 0.0003959200000000, -0.0002974200000000 ] - [ 0.0087827300000000, 0.0035985200000000, -0.0001075000000000 ] - [ -0.0016713600000000, 0.0008266700000000, -0.0001112300000000 ] - [ -0.0000394100000000, 0.0005522500000000, 0.0000579900000000 ] - [ -0.0000840500000000, 0.0003108800000000, 0.0000261400000000 ] - [ 0.0002694100000000, -0.0005950400000000, 0.0002221900000000 ] - [ -0.0001120100000000, -0.0005782100000000, -0.0005264200000000 ] - [ 0.0000048400000000, -0.0000959300000000, 0.0001065600000000 ] - [ -0.0001286500000000, -0.0001535600000000, -0.0000549400000000 ] - [ 0.0042990600000000, -0.0037166200000000, 0.0017486900000000 ] - [ -0.0009871200000000, -0.0006666800000000, 0.0001318000000000 ] - [ 0.0001111600000000, -0.0002438700000000, -0.0001011200000000 ] - [ -0.0001177100000000, -0.0001607700000000, -0.0000790100000000 ] - [ -0.0001412800000000, -0.0000015400000000, 0.0003033300000000 ] - [ -0.0000714500000000, 0.0007403400000000, -0.0014221700000000 ] - [ -0.0000881100000000, 0.0005575400000000, -0.0000526800000000 ] - [ 0.0000408100000000, 0.0003252700000000, -0.0001765400000000 ] - [ -0.0005311400000000, -0.0003838800000000, 0.0007218200000000 ] - [ 0.0008283600000000, -0.0008955900000000, -0.0014178000000000 ] - [ -0.0000020300000000, -0.0001814600000000, 0.0003729500000000 ] - [ 0.0000698600000000, -0.0001400900000000, 0.0003330400000000 ] - [ 0.0037643000000000, 0.0009708900000000, 0.0014844500000000 ] - [ -0.0018137600000000, 0.0003993500000000, 0.0017529800000000 ] - [ 0.0000267600000000, 0.0004863400000000, 0.0003276600000000 ] - [ -0.0000081300000000, 0.0003509200000000, 0.0003698800000000 ] - [ 0.0002621700000000, -0.0001920600000000, 0.0006657000000000 ] - [ -0.0000567000000000, 0.0004537400000000, -0.0002276100000000 ] - [ 0.0001879900000000, 0.0002444000000000, 0.0004203300000000 ] - [ 0.0001716000000000, 0.0000038400000000, -0.0000035200000000 ] - [ 0.0016897600000000, -0.0000961000000000, 0.0011579800000000 ] - [ -0.0012374800000000, -0.0000809600000000, -0.0006468200000000 ] - [ -0.0003344600000000, 0.0002389500000000, -0.0002455300000000 ] - [ -0.0003658700000000, 0.0001993600000000, -0.0002893400000000 ] - [ 0.0719598800000000, -0.0633661100000000, 0.0300260300000000 ] - [ -0.0037598100000000, -0.0001933000000000, -0.0001892600000000 ] - [ 0.0003654800000000, 0.0006642300000000, 0.0000248300000000 ] - [ 0.0000324400000000, 0.0005463200000000, 0.0000014400000000 ] - [ -0.0008480600000000, 0.0009031200000000, 0.0026660700000000 ] - [ -0.0000363700000000, -0.0003691800000000, -0.0019362700000000 ] - [ -0.0000019900000000, 0.0000788400000000, 0.0001758300000000 ] - [ -0.0001547000000000, 0.0005373300000000, -0.0002304300000000 ] - [ 0.0020129000000000, 0.0013195900000000, 0.0024784100000000 ] - [ -0.0010403000000000, -0.0004126700000000, -0.0002995300000000 ] - [ 0.0010963700000000, 0.0003356700000000, 0.0001858000000000 ] - [ -0.0004476000000000, 0.0002655100000000, 0.0000481900000000 ] - [ 0.0000612700000000, -0.0004828800000000, 0.0034398500000000 ] - [ -0.0002902600000000, -0.0005750100000000, -0.0037488200000000 ] - [ 0.0002006900000000, -0.0000365600000000, 0.0001107600000000 ] - [ 0.0001487300000000, 0.0000126000000000, -0.0002187300000000 ]- atom: 5 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ -0.0006820600000000, -0.0002740500000000, 0.0027082400000000 ] - [ -0.0008306200000000, 0.0003705800000000, -0.0030297400000000 ] - [ 0.0004574000000000, 0.0001821200000000, -0.0000233600000000 ] - [ 0.0005021100000000, 0.0001053900000000, -0.0002039600000000 ] - [ 0.0983437600000000, -0.0811898900000000, 0.0361707600000000 ] - [ -0.0020581500000000, -0.0000634800000000, -0.0002565700000000 ] - [ 0.0000935500000000, 0.0000677800000000, -0.0001127100000000 ] - [ -0.0000826800000000, 0.0000445500000000, -0.0001294200000000 ] - [ 0.0004589200000000, -0.0001709100000000, 0.0019490900000000 ] - [ 0.0000921600000000, 0.0006967500000000, -0.0021075900000000 ] - [ 0.0004536800000000, 0.0002266800000000, -0.0002983500000000 ] - [ 0.0003600000000000, 0.0005164600000000, -0.0006575400000000 ] - [ 0.0068960600000000, 0.0045221400000000, 0.0035097000000000 ] - [ -0.0008104100000000, -0.0009344900000000, -0.0010662700000000 ] - [ 0.0007249900000000, 0.0001658400000000, -0.0001245900000000 ] - [ 0.0003415600000000, 0.0000928000000000, -0.0002750000000000 ] - [ 0.0000821100000000, -0.0000208500000000, 0.0003330600000000 ] - [ -0.0003688200000000, 0.0002960100000000, -0.0001438400000000 ] - [ 0.0000701800000000, 0.0006692100000000, 0.0010359100000000 ] - [ -0.0003619900000000, -0.0002855300000000, -0.0003737700000000 ] - [ 0.0018775400000000, -0.0004999200000000, 0.0007564700000000 ] - [ -0.0007401900000000, 0.0002925300000000, 0.0000871900000000 ] - [ 0.0003033100000000, 0.0007084500000000, 0.0007494200000000 ] - [ -0.0004733800000000, -0.0000181900000000, 0.0000678800000000 ] - [ -0.0001748600000000, -0.0003151100000000, 0.0006668300000000 ] - [ 0.0009447900000000, -0.0011177500000000, -0.0004896200000000 ] - [ 0.0005634100000000, -0.0006236200000000, 0.0002266500000000 ] - [ 0.0006384100000000, -0.0002745800000000, -0.0000597500000000 ] - [ 0.0023806200000000, -0.0004016500000000, 0.0002514100000000 ] - [ -0.0002455800000000, 0.0009433600000000, 0.0004808300000000 ] - [ 0.0011772100000000, 0.0016970500000000, -0.0001357300000000 ] - [ 0.0003569300000000, 0.0005248000000000, 0.0002935500000000 ] - [ -0.0021096700000000, 0.0027382100000000, 0.0019404100000000 ] - [ -0.0016474000000000, -0.0010210800000000, -0.0017257100000000 ] - [ -0.0004541800000000, 0.0002798200000000, -0.0000009000000000 ] - [ -0.0007544100000000, 0.0006534100000000, -0.0002115300000000 ] - [ -0.0001949400000000, -0.0000930400000000, 0.0005173700000000 ] - [ -0.0008537600000000, -0.0004590300000000, -0.0003129000000000 ] - [ -0.0003685900000000, -0.0001865300000000, -0.0000442000000000 ] - [ -0.0006719200000000, -0.0001198300000000, -0.0001166200000000 ] - [ -0.0003359100000000, -0.0001235400000000, 0.0019994100000000 ] - [ -0.0006227800000000, -0.0004693700000000, -0.0020284600000000 ] - [ 0.0000883600000000, 0.0004023700000000, -0.0000009000000000 ] - [ 0.0000431200000000, 0.0003304200000000, -0.0001444000000000 ] - [ -0.0168477600000000, 0.0116587500000000, -0.0053874400000000 ] - [ -0.0051239500000000, -0.0012347400000000, 0.0007818700000000 ] - [ -0.0007287500000000, -0.0000377700000000, 0.0002175400000000 ] - [ -0.0009511400000000, 0.0000674100000000, 0.0002188600000000 ] - [ 0.0082431400000000, 0.0006765200000000, -0.0018862400000000 ] - [ -0.0011013000000000, -0.0002950800000000, 0.0002935600000000 ] - [ 0.0006145600000000, 0.0002165900000000, -0.0001364000000000 ] - [ 0.0003838600000000, 0.0001259200000000, -0.0001502000000000 ] - [ -0.0009448600000000, 0.0000372700000000, 0.0009348300000000 ] - [ -0.0004873900000000, -0.0000468300000000, -0.0013562900000000 ] - [ -0.0008654400000000, 0.0002965400000000, 0.0002259100000000 ] - [ -0.0008955200000000, 0.0003003200000000, 0.0001707300000000 ] - [ -0.0033838800000000, -0.0001029700000000, 0.0004068900000000 ] - [ 0.0014063400000000, 0.0007362800000000, 0.0010353100000000 ] - [ -0.0003829400000000, -0.0002151400000000, -0.0002700400000000 ] - [ -0.0003142800000000, -0.0002264000000000, -0.0002606800000000 ] - [ -0.0002919900000000, -0.0002965100000000, 0.0002167500000000 ] - [ 0.0006353100000000, -0.0001561700000000, 0.0002082200000000 ] - [ -0.0003995800000000, -0.0005415000000000, 0.0000170500000000 ] - [ 0.0005893300000000, -0.0000566400000000, 0.0002226900000000 ] - [ -0.0001937400000000, 0.0001044100000000, -0.0003988300000000 ] - [ 0.0000126200000000, -0.0000983600000000, 0.0000296900000000 ] - [ -0.0000476300000000, -0.0000183200000000, -0.0002193600000000 ] - [ -0.0000007900000000, 0.0000424000000000, -0.0002509900000000 ] - [ 0.0001709400000000, -0.0017464800000000, -0.0005670100000000 ] - [ 0.0002336900000000, 0.0007768700000000, -0.0003941200000000 ] - [ -0.0000525800000000, 0.0004377200000000, -0.0002999700000000 ] - [ 0.0002819000000000, -0.0005636200000000, -0.0002105500000000 ] - [ -0.0092275300000000, -0.0033641900000000, 0.0002205300000000 ] - [ 0.0015362700000000, -0.0002970900000000, 0.0001895800000000 ] - [ -0.0000909900000000, -0.0000254800000000, 0.0000209000000000 ] - [ -0.0000431700000000, 0.0002133700000000, 0.0000534400000000 ] - [ -0.0003896500000000, 0.0000685000000000, -0.0001527300000000 ] - [ -0.0000128700000000, 0.0000504700000000, 0.0006070300000000 ] - [ -0.0001331600000000, -0.0004270400000000, -0.0000270100000000 ] - [ 0.0000005400000000, -0.0003694100000000, 0.0001339000000000 ] - [ -0.0042764500000000, 0.0029157600000000, -0.0019017700000000 ] - [ 0.0009608000000000, 0.0000116000000000, -0.0003573300000000 ] - [ -0.0001371600000000, -0.0004086900000000, -0.0001219000000000 ] - [ 0.0000895100000000, -0.0004949500000000, -0.0001455100000000 ] - [ 0.0001137300000000, 0.0006542200000000, -0.0005231400000000 ] - [ 0.0000323800000000, -0.0000847100000000, 0.0011956700000000 ] - [ 0.0000599000000000, 0.0000992200000000, -0.0001711100000000 ] - [ -0.0000686900000000, 0.0003315500000000, -0.0000473900000000 ] - [ 0.0005743700000000, -0.0001793100000000, -0.0000180300000000 ] - [ -0.0007984900000000, 0.0003261100000000, 0.0021084600000000 ] - [ 0.0000462900000000, -0.0003797500000000, 0.0003278000000000 ] - [ -0.0000257300000000, -0.0004204200000000, 0.0003666600000000 ] - [ -0.0035252300000000, -0.0002742500000000, -0.0006438100000000 ] - [ 0.0018607000000000, 0.0001610300000000, -0.0010585900000000 ] - [ 0.0000173300000000, 0.0000767700000000, 0.0003725500000000 ] - [ 0.0000524100000000, 0.0002124600000000, 0.0003297000000000 ] - [ 0.0001975000000000, 0.0003829000000000, -0.0003010300000000 ] - [ 0.0005156700000000, -0.0002619600000000, 0.0005923000000000 ] - [ 0.0002687500000000, -0.0000536000000000, -0.0000538700000000 ] - [ 0.0002883000000000, 0.0001858300000000, 0.0003684600000000 ] - [ -0.0024316800000000, 0.0002990300000000, -0.0016391000000000 ] - [ 0.0005094400000000, 0.0002792400000000, 0.0001297400000000 ] - [ -0.0003880300000000, -0.0000376500000000, -0.0002657900000000 ] - [ -0.0003571700000000, 0.0000011300000000, -0.0002219900000000 ] - [ -0.0720152700000000, 0.0662386600000000, -0.0310427900000000 ] - [ 0.0041402800000000, 0.0007970000000000, 0.0001635300000000 ] - [ 0.0000438000000000, -0.0000643400000000, -0.0000602900000000 ] - [ 0.0003569600000000, 0.0000588500000000, -0.0000331500000000 ] - [ 0.0007786400000000, -0.0008698500000000, -0.0024798200000000 ] - [ -0.0000414500000000, 0.0003996300000000, 0.0021266500000000 ] - [ -0.0000976300000000, -0.0000472300000000, 0.0000111100000000 ] - [ 0.0000669100000000, -0.0005102600000000, 0.0004150700000000 ] - [ -0.0020471300000000, -0.0013061700000000, -0.0022461000000000 ] - [ 0.0009749900000000, 0.0003839800000000, 0.0004826300000000 ] - [ -0.0011541500000000, -0.0003423800000000, 0.0000226100000000 ] - [ 0.0003763800000000, -0.0002882000000000, 0.0001359300000000 ] - [ 0.0003218400000000, -0.0001313700000000, -0.0034643800000000 ] - [ 0.0006793400000000, -0.0000360100000000, 0.0037091200000000 ] - [ 0.0001996400000000, -0.0005587800000000, -0.0001543300000000 ] - [ 0.0002329000000000, -0.0006189300000000, 0.0001850500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016974700000000, -0.0017686800000000, -0.0016374400000000 ] - [ -0.0009368900000000, -0.0021881700000000, -0.0018345200000000 ] - [ 0.0003059800000000, 0.0009324600000000, 0.0000636000000000 ] - [ 0.0005963800000000, 0.0009025400000000, -0.0000099200000000 ] - [ 0.0822336700000000, -0.1860333000000000, 0.0647525000000000 ] - [ -0.0000514200000000, -0.0015653000000000, 0.0001728000000000 ] - [ -0.0001996400000000, 0.0014610100000000, -0.0003033400000000 ] - [ -0.0001698400000000, 0.0008056700000000, -0.0002617600000000 ] - [ 0.0005954900000000, -0.0013241700000000, 0.0008789900000000 ] - [ 0.0007255600000000, -0.0012291200000000, 0.0001466800000000 ] - [ 0.0002640200000000, 0.0013995100000000, -0.0009059700000000 ] - [ 0.0001946000000000, 0.0014493400000000, -0.0009965700000000 ] - [ -0.0011408200000000, 0.0237093500000000, 0.0116914500000000 ] - [ 0.0001693400000000, -0.0011156100000000, -0.0009404400000000 ] - [ 0.0008505800000000, 0.0023722600000000, 0.0008879300000000 ] - [ 0.0005624300000000, 0.0008832700000000, 0.0001026000000000 ] - [ 0.0005384200000000, 0.0007143900000000, 0.0000217800000000 ] - [ -0.0004259300000000, 0.0005394900000000, 0.0002998500000000 ] - [ -0.0001734000000000, 0.0007147300000000, 0.0010662500000000 ] - [ 0.0001650200000000, 0.0005393300000000, 0.0004862500000000 ] - [ 0.0003509200000000, 0.0040547700000000, -0.0012754400000000 ] - [ -0.0004317900000000, 0.0002735700000000, 0.0001196700000000 ] - [ -0.0008447600000000, 0.0045596600000000, 0.0012903300000000 ] - [ -0.0001086700000000, 0.0003129100000000, 0.0000404200000000 ] - [ -0.0001811500000000, -0.0005540200000000, 0.0006771500000000 ] - [ 0.0017164600000000, -0.0000520600000000, 0.0014527900000000 ] - [ 0.0007539000000000, -0.0001837500000000, 0.0002843400000000 ] - [ 0.0000696200000000, 0.0004010900000000, -0.0002674200000000 ] - [ 0.0030185900000000, 0.0019329700000000, 0.0013928200000000 ] - [ -0.0000439800000000, 0.0006617600000000, 0.0002069600000000 ] - [ 0.0002257000000000, 0.0028134600000000, -0.0003880600000000 ] - [ 0.0010376100000000, 0.0010584300000000, 0.0001322200000000 ] - [ -0.0034755300000000, 0.0016944600000000, 0.0025830900000000 ] - [ 0.0009675700000000, 0.0004023300000000, 0.0012488300000000 ] - [ -0.0001714600000000, 0.0011228800000000, -0.0002137800000000 ] - [ -0.0009543200000000, 0.0010576700000000, -0.0000964600000000 ] - [ -0.0008798500000000, -0.0002866500000000, 0.0031599400000000 ] - [ -0.0006167800000000, -0.0004278900000000, -0.0006963400000000 ] - [ -0.0003938600000000, 0.0010413700000000, -0.0011217800000000 ] - [ -0.0006033600000000, 0.0002885200000000, -0.0000401900000000 ] - [ -0.0002435100000000, -0.0018651700000000, -0.0002041200000000 ] - [ -0.0005922200000000, -0.0022186600000000, -0.0009818500000000 ] - [ 0.0002694400000000, 0.0012709800000000, 0.0000870800000000 ] - [ 0.0002169400000000, 0.0012872900000000, 0.0000712800000000 ] - [ -0.0104562200000000, -0.0035481300000000, -0.0014052100000000 ] - [ -0.0006646900000000, -0.0015707100000000, -0.0001658500000000 ] - [ -0.0005837100000000, 0.0008897300000000, 0.0002815900000000 ] - [ -0.0008748100000000, 0.0006506400000000, 0.0002496500000000 ] - [ -0.0014996500000000, 0.0051548800000000, -0.0144943300000000 ] - [ 0.0002853800000000, -0.0007667600000000, 0.0000023400000000 ] - [ 0.0005450600000000, 0.0010600800000000, -0.0000122300000000 ] - [ 0.0004751800000000, 0.0007345700000000, -0.0002549200000000 ] - [ -0.0002822500000000, -0.0013488100000000, 0.0000559000000000 ] - [ -0.0010391400000000, -0.0016569900000000, -0.0008961100000000 ] - [ -0.0009991300000000, 0.0008977300000000, 0.0002130900000000 ] - [ -0.0009443100000000, 0.0010863500000000, 0.0002158700000000 ] - [ -0.0001250300000000, 0.0037859800000000, -0.0010303900000000 ] - [ -0.0000765700000000, 0.0013779200000000, 0.0000748300000000 ] - [ -0.0003016400000000, -0.0007519400000000, -0.0003139600000000 ] - [ -0.0003013200000000, -0.0006972000000000, -0.0003144600000000 ] - [ -0.0004232200000000, -0.0018952500000000, 0.0009681000000000 ] - [ 0.0004188200000000, -0.0001217600000000, 0.0001444600000000 ] - [ 0.0002776700000000, -0.0019200700000000, -0.0005776200000000 ] - [ 0.0001614900000000, -0.0003815800000000, 0.0002863100000000 ] - [ -0.0000052300000000, 0.0001305200000000, -0.0006975600000000 ] - [ 0.0000527500000000, 0.0001060000000000, 0.0003707300000000 ] - [ -0.0000536400000000, -0.0004445200000000, -0.0000325300000000 ] - [ -0.0001325200000000, -0.0004765600000000, -0.0006601600000000 ] - [ 0.0015133300000000, -0.0011396500000000, -0.0001507600000000 ] - [ -0.0007912800000000, -0.0001600500000000, -0.0000663600000000 ] - [ -0.0004703900000000, -0.0010208500000000, -0.0003633200000000 ] - [ 0.0005410100000000, -0.0007958800000000, -0.0003091900000000 ] - [ 0.0036852300000000, 0.0060101300000000, -0.0004949200000000 ] - [ 0.0011430300000000, 0.0009866700000000, 0.0000662700000000 ] - [ 0.0001408700000000, -0.0008346500000000, 0.0001821600000000 ] - [ -0.0001958600000000, -0.0003300500000000, 0.0000463900000000 ] - [ -0.0008846800000000, 0.0002640800000000, 0.0011576400000000 ] - [ -0.0001134300000000, 0.0005740200000000, -0.0002900900000000 ] - [ -0.0000642600000000, -0.0008949000000000, -0.0000591200000000 ] - [ 0.0000175800000000, -0.0009595600000000, 0.0002038400000000 ] - [ -0.0034377400000000, 0.0081679300000000, -0.0031089200000000 ] - [ -0.0006919500000000, 0.0001595700000000, 0.0000041800000000 ] - [ -0.0003425200000000, -0.0014465800000000, -0.0000636200000000 ] - [ 0.0001295800000000, -0.0008646000000000, -0.0001195100000000 ] - [ -0.0000077200000000, 0.0009133600000000, -0.0003995300000000 ] - [ 0.0008282400000000, 0.0002923700000000, 0.0009300600000000 ] - [ -0.0000288300000000, -0.0002976100000000, -0.0000289500000000 ] - [ -0.0000358400000000, -0.0003246200000000, -0.0002158500000000 ] - [ 0.0001982200000000, 0.0005664300000000, 0.0004366100000000 ] - [ -0.0005425800000000, 0.0022670600000000, -0.0009734500000000 ] - [ -0.0000156500000000, -0.0008882400000000, 0.0002869900000000 ] - [ -0.0000442700000000, -0.0009488400000000, 0.0003275000000000 ] - [ 0.0007865700000000, 0.0054547500000000, 0.0013585500000000 ] - [ 0.0006410000000000, 0.0013233400000000, -0.0002670800000000 ] - [ 0.0001625300000000, -0.0005503600000000, 0.0003795200000000 ] - [ 0.0000114800000000, -0.0003063900000000, 0.0004073200000000 ] - [ -0.0002423800000000, -0.0001245800000000, 0.0006273300000000 ] - [ 0.0007115100000000, -0.0000856800000000, 0.0004534500000000 ] - [ 0.0007527200000000, -0.0003838900000000, -0.0002095500000000 ] - [ -0.0000242300000000, -0.0003194600000000, 0.0001282900000000 ] - [ -0.0002283900000000, 0.0038683600000000, -0.0008365500000000 ] - [ -0.0002741200000000, 0.0010339100000000, -0.0002448800000000 ] - [ -0.0004657400000000, -0.0007206900000000, -0.0001832000000000 ] - [ -0.0003909700000000, -0.0004376200000000, -0.0001910900000000 ] - [ -0.0680513300000000, 0.1360631100000000, -0.0515903500000000 ] - [ 0.0002884000000000, 0.0017495500000000, -0.0000484300000000 ] - [ -0.0000365500000000, -0.0019420200000000, -0.0005343000000000 ] - [ 0.0002789100000000, -0.0009685900000000, -0.0000311400000000 ] - [ 0.0008780200000000, -0.0002076900000000, -0.0028883100000000 ] - [ -0.0011428100000000, 0.0003829100000000, -0.0011652500000000 ] - [ -0.0003485900000000, -0.0012199400000000, 0.0003852700000000 ] - [ 0.0005845200000000, -0.0012524500000000, 0.0004073400000000 ] - [ -0.0039851600000000, -0.0074194700000000, -0.0095493300000000 ] - [ 0.0004338500000000, 0.0003265200000000, 0.0007658300000000 ] - [ 0.0001719500000000, -0.0038874600000000, 0.0008623700000000 ] - [ -0.0002291000000000, -0.0008452900000000, -0.0000973300000000 ] - [ -0.0003354200000000, 0.0023361900000000, 0.0004646600000000 ] - [ 0.0007073800000000, 0.0024316100000000, 0.0013872200000000 ] - [ 0.0002890000000000, -0.0018374600000000, -0.0000305100000000 ] - [ 0.0001870800000000, -0.0018958100000000, 0.0000923600000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007071600000000, 0.0017630000000000, 0.0013896600000000 ] - [ 0.0019206400000000, 0.0021905500000000, 0.0016033100000000 ] - [ 0.0006728000000000, -0.0009434500000000, -0.0002968000000000 ] - [ 0.0003882100000000, -0.0009164700000000, -0.0002284700000000 ] - [ -0.0777600400000000, 0.1804389400000000, -0.0621034400000000 ] - [ 0.0001118900000000, 0.0012704700000000, -0.0003726000000000 ] - [ 0.0002533500000000, -0.0017469500000000, 0.0000995000000000 ] - [ 0.0002294100000000, -0.0011028000000000, 0.0000623000000000 ] - [ 0.0003125900000000, 0.0015610400000000, -0.0015470600000000 ] - [ 0.0001822100000000, 0.0014614600000000, -0.0008145400000000 ] - [ 0.0006407000000000, -0.0011586300000000, 0.0002255500000000 ] - [ 0.0007152800000000, -0.0012241800000000, 0.0003311300000000 ] - [ 0.0019880600000000, -0.0234724500000000, -0.0121528300000000 ] - [ 0.0007350000000000, 0.0008729500000000, 0.0002607700000000 ] - [ 0.0000481600000000, -0.0026308400000000, -0.0015825800000000 ] - [ 0.0003419800000000, -0.0011275400000000, -0.0007855000000000 ] - [ -0.0008300500000000, -0.0007405100000000, 0.0004257300000000 ] - [ 0.0001434200000000, -0.0005517800000000, 0.0001554000000000 ] - [ -0.0001026200000000, -0.0007127100000000, -0.0006124600000000 ] - [ -0.0004452500000000, -0.0005434200000000, -0.0000285800000000 ] - [ -0.0006539600000000, -0.0040394900000000, 0.0017297500000000 ] - [ 0.0001448700000000, -0.0002550600000000, 0.0003305900000000 ] - [ 0.0005523000000000, -0.0045134900000000, -0.0008301000000000 ] - [ -0.0001750400000000, -0.0003020800000000, 0.0004122700000000 ] - [ 0.0014573600000000, -0.0006707700000000, -0.0003687900000000 ] - [ -0.0004391200000000, -0.0011739500000000, -0.0011448900000000 ] - [ 0.0005469600000000, -0.0010472900000000, 0.0000276200000000 ] - [ 0.0012183500000000, -0.0016320800000000, 0.0005778300000000 ] - [ -0.0017131200000000, -0.0007037900000000, -0.0010734700000000 ] - [ 0.0013330200000000, 0.0005626300000000, 0.0001032900000000 ] - [ 0.0010791800000000, -0.0015954400000000, 0.0007031700000000 ] - [ 0.0002576600000000, 0.0001711600000000, 0.0001796000000000 ] - [ 0.0023189700000000, -0.0011640200000000, -0.0027336500000000 ] - [ -0.0021409100000000, 0.0001269000000000, -0.0013844200000000 ] - [ -0.0010046600000000, -0.0005904100000000, 0.0000988100000000 ] - [ -0.0002194500000000, -0.0005309800000000, -0.0000303300000000 ] - [ -0.0002964500000000, -0.0002491400000000, -0.0032633000000000 ] - [ -0.0005575000000000, -0.0001064200000000, 0.0005751600000000 ] - [ -0.0007886100000000, -0.0015796400000000, 0.0010181100000000 ] - [ -0.0005718000000000, -0.0008215300000000, -0.0000769100000000 ] - [ 0.0003113600000000, 0.0021718400000000, 0.0000087600000000 ] - [ 0.0006536300000000, 0.0025166500000000, 0.0007854000000000 ] - [ -0.0002113600000000, -0.0009769400000000, -0.0002878500000000 ] - [ -0.0001543700000000, -0.0009881400000000, -0.0002698500000000 ] - [ 0.0087038900000000, 0.0032002300000000, 0.0018118600000000 ] - [ -0.0010550900000000, 0.0012808100000000, 0.0005759100000000 ] - [ -0.0011085700000000, -0.0011753300000000, 0.0001301200000000 ] - [ -0.0008289300000000, -0.0009387200000000, 0.0001611900000000 ] - [ 0.0024673400000000, -0.0051093800000000, 0.0140618600000000 ] - [ 0.0006940000000000, 0.0007765300000000, -0.0002382200000000 ] - [ 0.0004307800000000, -0.0010538800000000, -0.0002140700000000 ] - [ 0.0005047500000000, -0.0007236400000000, 0.0000200100000000 ] - [ -0.0014319100000000, 0.0016395000000000, 0.0003571900000000 ] - [ -0.0006768600000000, 0.0019515000000000, 0.0013001400000000 ] - [ -0.0007024200000000, -0.0006118900000000, 0.0001978900000000 ] - [ -0.0007663000000000, -0.0007996900000000, 0.0001962900000000 ] - [ -0.0006035500000000, -0.0039957100000000, 0.0005293100000000 ] - [ -0.0006528500000000, -0.0015827400000000, -0.0005891000000000 ] - [ -0.0004234300000000, 0.0005535300000000, -0.0001966900000000 ] - [ -0.0004230600000000, 0.0004987100000000, -0.0001969300000000 ] - [ 0.0008830500000000, 0.0017048000000000, -0.0005963300000000 ] - [ 0.0000420400000000, -0.0000654300000000, 0.0002201600000000 ] - [ 0.0001829600000000, 0.0017389000000000, 0.0009489500000000 ] - [ 0.0002997500000000, 0.0001907400000000, 0.0000789600000000 ] - [ -0.0000057800000000, 0.0000377200000000, 0.0001905900000000 ] - [ -0.0000628300000000, 0.0000625200000000, -0.0008834500000000 ] - [ 0.0000434200000000, 0.0006172200000000, -0.0004753900000000 ] - [ 0.0001212700000000, 0.0006482200000000, 0.0001499800000000 ] - [ -0.0015167200000000, 0.0009722800000000, -0.0003532400000000 ] - [ 0.0007789000000000, -0.0000071900000000, -0.0004413100000000 ] - [ 0.0004624900000000, 0.0008497800000000, -0.0001445700000000 ] - [ -0.0005547500000000, 0.0006258000000000, -0.0001981500000000 ] - [ -0.0040460700000000, -0.0056233100000000, 0.0005966200000000 ] - [ -0.0012730600000000, -0.0004694200000000, 0.0000146000000000 ] - [ -0.0002655500000000, 0.0013585300000000, -0.0001017900000000 ] - [ 0.0000687300000000, 0.0008548400000000, 0.0000329300000000 ] - [ 0.0007584200000000, -0.0007845400000000, -0.0010813900000000 ] - [ -0.0000132400000000, -0.0010942000000000, 0.0003687200000000 ] - [ -0.0000623100000000, 0.0003699300000000, 0.0001386100000000 ] - [ -0.0001441700000000, 0.0004350100000000, -0.0001264100000000 ] - [ 0.0036714700000000, -0.0092254200000000, 0.0031066800000000 ] - [ 0.0006638300000000, -0.0008185100000000, -0.0002293300000000 ] - [ 0.0003112100000000, 0.0007902400000000, -0.0001602400000000 ] - [ -0.0001584000000000, 0.0002102500000000, -0.0001042300000000 ] - [ -0.0000208900000000, -0.0002536400000000, 0.0001738800000000 ] - [ -0.0008582500000000, 0.0003662800000000, -0.0011582300000000 ] - [ -0.0000004800000000, 0.0009527400000000, -0.0001955900000000 ] - [ 0.0000066100000000, 0.0009800300000000, -0.0000078800000000 ] - [ -0.0001505000000000, -0.0011341900000000, 0.0002634600000000 ] - [ 0.0005812500000000, -0.0028413100000000, 0.0016563700000000 ] - [ 0.0000613600000000, 0.0003243800000000, 0.0004123900000000 ] - [ 0.0000903500000000, 0.0003853200000000, 0.0003725200000000 ] - [ -0.0006722800000000, -0.0048610500000000, -0.0006144100000000 ] - [ -0.0006010900000000, -0.0007578100000000, 0.0009704300000000 ] - [ -0.0001175100000000, 0.0011148600000000, 0.0003203100000000 ] - [ 0.0000353500000000, 0.0008701600000000, 0.0002923000000000 ] - [ 0.0007062000000000, 0.0003111700000000, -0.0002639200000000 ] - [ -0.0002542200000000, 0.0002744300000000, -0.0000912100000000 ] - [ -0.0002889600000000, 0.0005736200000000, 0.0005733000000000 ] - [ 0.0004841900000000, 0.0005102900000000, 0.0002367800000000 ] - [ -0.0005052100000000, -0.0036590400000000, 0.0003446100000000 ] - [ -0.0004506300000000, -0.0008358500000000, -0.0002659200000000 ] - [ -0.0002585400000000, 0.0009194600000000, -0.0003289400000000 ] - [ -0.0003341300000000, 0.0006361600000000, -0.0003201200000000 ] - [ 0.0640874400000000, -0.1300723600000000, 0.0484393700000000 ] - [ 0.0001197700000000, -0.0011335400000000, 0.0000261500000000 ] - [ 0.0004242900000000, 0.0025531200000000, 0.0005187200000000 ] - [ 0.0001005100000000, 0.0015835500000000, 0.0000111300000000 ] - [ -0.0009552100000000, 0.0002308700000000, 0.0030801900000000 ] - [ 0.0010774000000000, -0.0003546200000000, 0.0013479400000000 ] - [ 0.0002680400000000, 0.0012571300000000, -0.0002014200000000 ] - [ -0.0006591000000000, 0.0012899300000000, -0.0002303000000000 ] - [ 0.0038820400000000, 0.0073571800000000, 0.0096680700000000 ] - [ -0.0005069600000000, -0.0003493500000000, -0.0005811600000000 ] - [ -0.0002409700000000, 0.0038735700000000, -0.0006821200000000 ] - [ 0.0001590800000000, 0.0008134300000000, 0.0002774800000000 ] - [ 0.0007119800000000, -0.0029621500000000, -0.0004887600000000 ] - [ -0.0003118600000000, -0.0030583300000000, -0.0014125800000000 ] - [ 0.0000984400000000, 0.0012280800000000, 0.0000009900000000 ] - [ 0.0001941000000000, 0.0012837100000000, -0.0001169000000000 ]- atom: 5 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ -0.0018492900000000, -0.0002367000000000, 0.0023299100000000 ] - [ 0.0012835300000000, 0.0000213200000000, -0.0006538900000000 ] - [ 0.0003823600000000, 0.0000422800000000, 0.0000051600000000 ] - [ 0.0005580600000000, -0.0000069000000000, -0.0001026100000000 ] - [ 0.0251445400000000, 0.0078746400000000, -0.0311665800000000 ] - [ -0.0010070600000000, 0.0001188600000000, -0.0001376400000000 ] - [ 0.0000764100000000, -0.0001869300000000, -0.0001923500000000 ] - [ -0.0000068000000000, -0.0001734300000000, -0.0000940200000000 ] - [ -0.0000619200000000, 0.0004508700000000, 0.0015984700000000 ] - [ 0.0011819100000000, -0.0000748700000000, -0.0002898100000000 ] - [ 0.0004184200000000, -0.0001435300000000, -0.0001470400000000 ] - [ 0.0005736100000000, 0.0000266100000000, -0.0002531000000000 ] - [ 0.0022538000000000, 0.0082761000000000, -0.0026158800000000 ] - [ -0.0001118600000000, -0.0004132200000000, -0.0005210400000000 ] - [ 0.0004885100000000, -0.0005590300000000, -0.0006460900000000 ] - [ 0.0003708000000000, -0.0001334600000000, -0.0003595800000000 ] - [ -0.0007005200000000, -0.0007276600000000, 0.0003329100000000 ] - [ 0.0002282200000000, -0.0000548500000000, 0.0001780800000000 ] - [ -0.0001051100000000, 0.0005420900000000, 0.0007344000000000 ] - [ 0.0000403300000000, -0.0002170400000000, 0.0000496400000000 ] - [ 0.0005439800000000, -0.0015070200000000, 0.0004430100000000 ] - [ -0.0003683800000000, 0.0000886600000000, 0.0001395500000000 ] - [ -0.0003287400000000, 0.0012843600000000, 0.0002679300000000 ] - [ -0.0002002600000000, -0.0001608500000000, 0.0002995100000000 ] - [ -0.0001984900000000, -0.0004159900000000, 0.0005887900000000 ] - [ 0.0016339600000000, -0.0002537000000000, -0.0000724200000000 ] - [ 0.0003668400000000, -0.0006985500000000, 0.0002409800000000 ] - [ 0.0010524500000000, -0.0010043300000000, 0.0000793400000000 ] - [ 0.0017102000000000, 0.0009131200000000, 0.0002072500000000 ] - [ 0.0001057700000000, 0.0006371800000000, 0.0004245200000000 ] - [ 0.0010629700000000, 0.0004341800000000, 0.0000806000000000 ] - [ 0.0004078900000000, 0.0005093800000000, 0.0002732700000000 ] - [ -0.0019150800000000, 0.0026105000000000, 0.0002126600000000 ] - [ -0.0012441100000000, -0.0004624600000000, -0.0012940600000000 ] - [ -0.0006840800000000, 0.0000297300000000, -0.0002041400000000 ] - [ -0.0005654300000000, 0.0003083700000000, -0.0002328100000000 ] - [ -0.0004104000000000, 0.0008637400000000, 0.0003953200000000 ] - [ -0.0005527900000000, -0.0005636300000000, 0.0005473200000000 ] - [ -0.0005910600000000, -0.0005419000000000, 0.0002636800000000 ] - [ -0.0005797500000000, -0.0002292000000000, 0.0000165500000000 ] - [ -0.0019208900000000, 0.0000897900000000, 0.0027731000000000 ] - [ 0.0012708200000000, 0.0005473400000000, 0.0000994700000000 ] - [ -0.0000212800000000, 0.0001240600000000, -0.0000319500000000 ] - [ 0.0000694400000000, 0.0001032100000000, -0.0000978000000000 ] - [ -0.0053054000000000, 0.0049612300000000, -0.0077275300000000 ] - [ -0.0034058300000000, -0.0009929700000000, -0.0006632600000000 ] - [ -0.0008497100000000, -0.0002076300000000, 0.0001402000000000 ] - [ -0.0008830600000000, -0.0001164600000000, 0.0001845700000000 ] - [ 0.0074850200000000, -0.0128670200000000, 0.0075015700000000 ] - [ -0.0003231700000000, -0.0000164200000000, 0.0004017400000000 ] - [ 0.0005753300000000, 0.0000717100000000, -0.0002568400000000 ] - [ 0.0004204000000000, -0.0000070700000000, -0.0000971900000000 ] - [ -0.0018586000000000, 0.0005522000000000, 0.0018012600000000 ] - [ 0.0010064200000000, -0.0002857700000000, 0.0018867600000000 ] - [ -0.0008679700000000, 0.0000941200000000, 0.0002566800000000 ] - [ -0.0007819400000000, 0.0001477900000000, 0.0002478900000000 ] - [ -0.0023995700000000, -0.0009270200000000, 0.0035387000000000 ] - [ 0.0000245600000000, 0.0000044800000000, 0.0000587900000000 ] - [ -0.0003885100000000, -0.0000713100000000, -0.0002218000000000 ] - [ -0.0003441200000000, -0.0000771500000000, -0.0002535900000000 ] - [ 0.0001529300000000, 0.0008444000000000, 0.0009461500000000 ] - [ 0.0003731700000000, -0.0001261700000000, 0.0001463000000000 ] - [ -0.0001081300000000, -0.0005847300000000, 0.0004467700000000 ] - [ 0.0004567400000000, -0.0000465900000000, 0.0001830500000000 ] - [ -0.0000857000000000, -0.0002242900000000, -0.0006182400000000 ] - [ 0.0000424400000000, 0.0003623200000000, -0.0005105200000000 ] - [ 0.0000144100000000, 0.0003463700000000, -0.0003967300000000 ] - [ -0.0000567000000000, -0.0000340000000000, -0.0004186800000000 ] - [ 0.0001268400000000, -0.0006123600000000, 0.0000195400000000 ] - [ 0.0000324300000000, 0.0002363700000000, -0.0000052000000000 ] - [ 0.0000670600000000, 0.0003039100000000, -0.0001615600000000 ] - [ 0.0000450400000000, -0.0002729400000000, -0.0000751200000000 ] - [ -0.0052650200000000, -0.0022739100000000, 0.0021886400000000 ] - [ 0.0005282100000000, -0.0000832700000000, 0.0005318100000000 ] - [ -0.0000120100000000, 0.0001657200000000, 0.0001312100000000 ] - [ -0.0000786600000000, 0.0003049200000000, 0.0000682200000000 ] - [ 0.0005502500000000, 0.0002548800000000, -0.0014274700000000 ] - [ -0.0003840000000000, -0.0005385500000000, -0.0002717600000000 ] - [ -0.0000997400000000, -0.0003401600000000, -0.0000117600000000 ] - [ -0.0000582000000000, -0.0002104700000000, 0.0000032900000000 ] - [ -0.0009458200000000, -0.0007929600000000, 0.0019307900000000 ] - [ 0.0006292600000000, -0.0002541200000000, -0.0002795500000000 ] - [ -0.0001334900000000, -0.0004149300000000, 0.0000090800000000 ] - [ 0.0000570500000000, -0.0003185200000000, -0.0001302100000000 ] - [ 0.0005198600000000, 0.0004090300000000, -0.0007001300000000 ] - [ -0.0010697000000000, 0.0005229500000000, -0.0001865200000000 ] - [ 0.0000898800000000, 0.0002425000000000, -0.0002099200000000 ] - [ -0.0000874600000000, 0.0003185900000000, -0.0000979100000000 ] - [ 0.0008865600000000, -0.0001996900000000, -0.0004673600000000 ] - [ -0.0023600000000000, -0.0010298600000000, -0.0012438900000000 ] - [ 0.0000658200000000, -0.0002653000000000, 0.0003161500000000 ] - [ -0.0000068600000000, -0.0002200300000000, 0.0003721800000000 ] - [ -0.0014784100000000, 0.0004769500000000, 0.0025665700000000 ] - [ 0.0012162800000000, -0.0000092300000000, -0.0001779400000000 ] - [ -0.0000384900000000, 0.0003005200000000, 0.0003833200000000 ] - [ 0.0000684200000000, 0.0003173000000000, 0.0003232600000000 ] - [ 0.0004901300000000, 0.0003745700000000, -0.0003091100000000 ] - [ 0.0000888300000000, 0.0001047400000000, 0.0002168600000000 ] - [ 0.0005131200000000, -0.0000129800000000, -0.0000449400000000 ] - [ 0.0000352800000000, 0.0001502100000000, 0.0001137300000000 ] - [ 0.0004627100000000, -0.0005611400000000, -0.0022674400000000 ] - [ -0.0004476800000000, 0.0000252500000000, -0.0003986300000000 ] - [ -0.0003309500000000, 0.0001263400000000, -0.0002948900000000 ] - [ -0.0003821900000000, 0.0001117200000000, -0.0002543200000000 ] - [ -0.0155731400000000, -0.0031874000000000, 0.0260529500000000 ] - [ 0.0023420800000000, 0.0003944000000000, -0.0002309300000000 ] - [ 0.0001713900000000, 0.0004243600000000, 0.0002887000000000 ] - [ 0.0002662100000000, 0.0003249100000000, -0.0000262800000000 ] - [ 0.0010047100000000, -0.0011391300000000, -0.0015374100000000 ] - [ -0.0011068800000000, 0.0004835500000000, 0.0009958900000000 ] - [ 0.0003515200000000, 0.0005761100000000, 0.0001719500000000 ] - [ -0.0004875200000000, 0.0001180000000000, 0.0002104100000000 ] - [ -0.0011294000000000, -0.0021362200000000, -0.0018155200000000 ] - [ 0.0004185500000000, 0.0003070700000000, -0.0002274400000000 ] - [ -0.0005959900000000, 0.0008984100000000, -0.0001484500000000 ] - [ 0.0002063400000000, -0.0000317000000000, 0.0000613400000000 ] - [ 0.0018787300000000, -0.0005009600000000, -0.0036277300000000 ] - [ -0.0020965800000000, -0.0003492100000000, -0.0000484600000000 ] - [ 0.0002469900000000, -0.0002165600000000, -0.0002451100000000 ] - [ 0.0001141000000000, -0.0002329000000000, -0.0000776400000000 ]- atom: 5 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0028159200000000, 0.0002158600000000, -0.0025784700000000 ] - [ -0.0002999300000000, -0.0000373600000000, 0.0003928000000000 ] - [ 0.0005944900000000, -0.0000559900000000, -0.0002426000000000 ] - [ 0.0004164800000000, -0.0000038700000000, -0.0001306200000000 ] - [ -0.0256947900000000, -0.0073784900000000, 0.0309678000000000 ] - [ 0.0010728600000000, -0.0004206900000000, -0.0000590700000000 ] - [ -0.0000192000000000, -0.0001097100000000, -0.0000059600000000 ] - [ 0.0000672700000000, -0.0001292900000000, -0.0001025000000000 ] - [ 0.0009723000000000, -0.0002386300000000, -0.0022710500000000 ] - [ -0.0002691800000000, 0.0002946500000000, -0.0003700700000000 ] - [ 0.0004870900000000, 0.0003835400000000, -0.0005333100000000 ] - [ 0.0003342200000000, 0.0002050400000000, -0.0004191600000000 ] - [ -0.0013354200000000, -0.0085729600000000, 0.0018525500000000 ] - [ 0.0010196500000000, 0.0001760900000000, -0.0001559000000000 ] - [ 0.0004121000000000, 0.0003051700000000, -0.0000442800000000 ] - [ 0.0005320000000000, -0.0001117100000000, -0.0003233400000000 ] - [ 0.0004106800000000, 0.0007127200000000, 0.0001165900000000 ] - [ -0.0005113800000000, 0.0000413100000000, 0.0002741600000000 ] - [ -0.0001782000000000, -0.0005574400000000, -0.0002813800000000 ] - [ -0.0003185900000000, 0.0002130100000000, 0.0004051300000000 ] - [ -0.0008367100000000, 0.0015339300000000, 0.0000006700000000 ] - [ 0.0000807600000000, -0.0000741800000000, 0.0003126400000000 ] - [ 0.0000391300000000, -0.0012820400000000, 0.0001754000000000 ] - [ -0.0000911700000000, 0.0001842200000000, 0.0001475000000000 ] - [ 0.0014823400000000, -0.0008196000000000, -0.0002760100000000 ] - [ -0.0003634900000000, -0.0009762800000000, 0.0003837300000000 ] - [ 0.0009234900000000, -0.0005314300000000, 0.0000693200000000 ] - [ 0.0002358600000000, -0.0002298100000000, 0.0002337000000000 ] - [ -0.0004253800000000, 0.0003130900000000, 0.0000994200000000 ] - [ 0.0011964600000000, 0.0005952200000000, -0.0001160500000000 ] - [ 0.0002440300000000, 0.0007972200000000, 0.0002313300000000 ] - [ 0.0008819800000000, 0.0007194600000000, 0.0000368300000000 ] - [ 0.0007455800000000, -0.0020919200000000, -0.0003313100000000 ] - [ 0.0000755300000000, 0.0009904800000000, 0.0011577900000000 ] - [ -0.0004882600000000, 0.0005010200000000, 0.0000881700000000 ] - [ -0.0006019600000000, 0.0002180800000000, 0.0001116100000000 ] - [ -0.0007573900000000, -0.0013844300000000, -0.0005292200000000 ] - [ -0.0006231700000000, 0.0000292000000000, -0.0006545100000000 ] - [ -0.0005868100000000, 0.0000018000000000, -0.0003671300000000 ] - [ -0.0005948300000000, -0.0003057400000000, -0.0001330100000000 ] - [ 0.0019749100000000, 0.0002180100000000, -0.0029745400000000 ] - [ -0.0011990900000000, -0.0002282300000000, -0.0002894700000000 ] - [ 0.0000777200000000, 0.0001686700000000, -0.0001695800000000 ] - [ -0.0000134700000000, 0.0001872300000000, -0.0001055600000000 ] - [ 0.0036566200000000, -0.0052600300000000, 0.0080920300000000 ] - [ 0.0017099600000000, 0.0007118500000000, 0.0010875600000000 ] - [ -0.0008458500000000, -0.0000820700000000, 0.0002719300000000 ] - [ -0.0008204400000000, -0.0001749200000000, 0.0002269900000000 ] - [ -0.0065741500000000, 0.0129630200000000, -0.0077465700000000 ] - [ 0.0013072700000000, 0.0000328700000000, -0.0006468800000000 ] - [ 0.0003984500000000, -0.0000641500000000, 0.0000244000000000 ] - [ 0.0005558500000000, 0.0000166600000000, -0.0001426600000000 ] - [ 0.0001393100000000, -0.0002604700000000, -0.0013943200000000 ] - [ -0.0027106200000000, 0.0005749500000000, -0.0014710300000000 ] - [ -0.0008309700000000, 0.0001936400000000, 0.0001533700000000 ] - [ -0.0009158600000000, 0.0001399600000000, 0.0001619900000000 ] - [ 0.0020016500000000, 0.0007372800000000, -0.0043849500000000 ] - [ -0.0007552700000000, -0.0002113600000000, -0.0005748200000000 ] - [ -0.0003346200000000, -0.0001274700000000, -0.0002901700000000 ] - [ -0.0003794000000000, -0.0001218200000000, -0.0002582100000000 ] - [ 0.0003100200000000, -0.0010290900000000, -0.0005843300000000 ] - [ 0.0000841300000000, -0.0000649300000000, 0.0002190500000000 ] - [ 0.0005691000000000, 0.0003957300000000, -0.0000828500000000 ] - [ 0.0000023500000000, -0.0001427700000000, 0.0001819500000000 ] - [ 0.0000784800000000, 0.0003968300000000, 0.0001113100000000 ] - [ -0.0000540000000000, -0.0001907900000000, 0.0000028600000000 ] - [ -0.0000234300000000, -0.0001762300000000, -0.0001117100000000 ] - [ 0.0000472100000000, 0.0002042400000000, -0.0000879500000000 ] - [ -0.0001421600000000, 0.0004497300000000, -0.0005269800000000 ] - [ -0.0000390800000000, -0.0004073500000000, -0.0005053100000000 ] - [ -0.0000769400000000, -0.0004719800000000, -0.0003460900000000 ] - [ -0.0000554400000000, 0.0001041600000000, -0.0004334600000000 ] - [ 0.0050164800000000, 0.0026806400000000, -0.0021239500000000 ] - [ -0.0006573900000000, 0.0006075600000000, -0.0004559600000000 ] - [ -0.0001175400000000, 0.0003614200000000, -0.0000524000000000 ] - [ -0.0000494900000000, 0.0002197700000000, 0.0000108000000000 ] - [ -0.0006725500000000, -0.0007862800000000, 0.0015061600000000 ] - [ 0.0002519300000000, 0.0000099700000000, 0.0003502100000000 ] - [ -0.0000278200000000, -0.0001825900000000, 0.0000907600000000 ] - [ -0.0000703600000000, -0.0003128800000000, 0.0000756800000000 ] - [ 0.0009159400000000, 0.0001432500000000, -0.0021607300000000 ] - [ -0.0006564100000000, -0.0004023100000000, 0.0000566900000000 ] - [ 0.0001073500000000, -0.0002381300000000, -0.0002334400000000 ] - [ -0.0000851700000000, -0.0003360100000000, -0.0000937600000000 ] - [ -0.0005495300000000, 0.0002379600000000, 0.0004744200000000 ] - [ 0.0010387100000000, 0.0001334700000000, -0.0000456600000000 ] - [ -0.0001185900000000, 0.0004152900000000, -0.0000148400000000 ] - [ 0.0000595200000000, 0.0003382500000000, -0.0001268300000000 ] - [ -0.0008506500000000, -0.0003613500000000, 0.0011638100000000 ] - [ 0.0024152800000000, 0.0004625500000000, 0.0019374400000000 ] - [ -0.0000218100000000, -0.0002961500000000, 0.0003838800000000 ] - [ 0.0000512700000000, -0.0003412100000000, 0.0003271700000000 ] - [ 0.0015197300000000, 0.0000730900000000, -0.0018711500000000 ] - [ -0.0011724800000000, 0.0005662700000000, 0.0008869600000000 ] - [ 0.0000835900000000, 0.0002632700000000, 0.0003164800000000 ] - [ -0.0000236800000000, 0.0002463700000000, 0.0003761600000000 ] - [ -0.0000309700000000, -0.0001807500000000, 0.0006755900000000 ] - [ 0.0003707800000000, 0.0000852100000000, 0.0001481100000000 ] - [ -0.0000555500000000, 0.0002028200000000, 0.0004126900000000 ] - [ 0.0004249800000000, 0.0000408000000000, 0.0002523400000000 ] - [ -0.0012421800000000, 0.0007910400000000, 0.0018773300000000 ] - [ -0.0002741700000000, 0.0001714200000000, -0.0001132300000000 ] - [ -0.0003929100000000, 0.0000745100000000, -0.0002164400000000 ] - [ -0.0003414600000000, 0.0000885600000000, -0.0002573400000000 ] - [ 0.0164052400000000, 0.0030614900000000, -0.0256876100000000 ] - [ -0.0019487400000000, 0.0002075500000000, 0.0002046000000000 ] - [ 0.0002216500000000, 0.0001908200000000, -0.0003120900000000 ] - [ 0.0001368400000000, 0.0002874800000000, 0.0000037300000000 ] - [ -0.0010781700000000, 0.0011828000000000, 0.0017183800000000 ] - [ 0.0010057900000000, -0.0004614700000000, -0.0008004000000000 ] - [ -0.0004400900000000, -0.0005512400000000, 0.0000163100000000 ] - [ 0.0004042400000000, -0.0000870100000000, -0.0000276100000000 ] - [ 0.0010722100000000, 0.0021391400000000, 0.0020521900000000 ] - [ -0.0004948900000000, -0.0003342200000000, 0.0004119900000000 ] - [ 0.0005264100000000, -0.0009198600000000, 0.0003382100000000 ] - [ -0.0002876400000000, 0.0000118200000000, 0.0001268800000000 ] - [ -0.0014725000000000, -0.0001043700000000, 0.0036092900000000 ] - [ 0.0025044200000000, -0.0002541700000000, 0.0000104000000000 ] - [ 0.0001401200000000, -0.0003815000000000, 0.0002052500000000 ] - [ 0.0002736600000000, -0.0003638000000000, 0.0000353800000000 ]- atom: 9 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ -0.0050683600000000, 0.0011692200000000, 0.0010291200000000 ] - [ 0.0013294200000000, 0.0002598400000000, -0.0000624200000000 ] - [ 0.0004461900000000, -0.0001959800000000, -0.0001625100000000 ] - [ 0.0005387900000000, -0.0001564700000000, -0.0001197800000000 ] - [ 0.0000235900000000, -0.0000073900000000, -0.0007264300000000 ] - [ 0.0003943900000000, 0.0001251700000000, 0.0010214700000000 ] - [ 0.0000402800000000, -0.0003417600000000, -0.0001334900000000 ] - [ 0.0001260200000000, -0.0004151700000000, 0.0001127900000000 ] - [ -0.0349958200000000, 0.0453998800000000, -0.0423598700000000 ] - [ 0.0014323300000000, 0.0003021100000000, -0.0001744900000000 ] - [ 0.0004452800000000, -0.0002156100000000, -0.0002050300000000 ] - [ 0.0005332400000000, -0.0001143900000000, -0.0002271500000000 ] - [ 0.0003601600000000, -0.0004541200000000, -0.0007747900000000 ] - [ 0.0005604200000000, -0.0000359900000000, 0.0003260300000000 ] - [ 0.0003613200000000, -0.0004480800000000, -0.0007710700000000 ] - [ 0.0005635400000000, -0.0000263000000000, 0.0003338400000000 ] - [ -0.0004122100000000, -0.0004081400000000, 0.0000912700000000 ] - [ -0.0000334700000000, -0.0001223800000000, 0.0002032300000000 ] - [ -0.0065827800000000, 0.0015304800000000, -0.0019615400000000 ] - [ 0.0011161200000000, 0.0002671400000000, 0.0003928400000000 ] - [ -0.0001481900000000, 0.0001455800000000, -0.0003970200000000 ] - [ 0.0002227800000000, 0.0002774300000000, 0.0013489700000000 ] - [ -0.0001378600000000, -0.0001807200000000, 0.0001894800000000 ] - [ -0.0000538600000000, -0.0002468200000000, 0.0004329900000000 ] - [ 0.0075566800000000, -0.0114035200000000, 0.0090514800000000 ] - [ 0.0024994000000000, 0.0000239100000000, -0.0006937100000000 ] - [ 0.0005540900000000, -0.0007467700000000, 0.0001472900000000 ] - [ 0.0007633500000000, -0.0008030800000000, 0.0001428800000000 ] - [ 0.0006110200000000, 0.0005226300000000, 0.0001113800000000 ] - [ 0.0006321300000000, 0.0003435700000000, 0.0003090500000000 ] - [ 0.0007802300000000, 0.0005812400000000, 0.0001060800000000 ] - [ 0.0002241500000000, 0.0009261700000000, 0.0005827500000000 ] - [ -0.0061569200000000, 0.0014391400000000, 0.0010886800000000 ] - [ 0.0002576100000000, 0.0005326800000000, -0.0000022500000000 ] - [ -0.0006259000000000, 0.0000720900000000, -0.0001120000000000 ] - [ -0.0005369500000000, 0.0001170800000000, -0.0000524600000000 ] - [ -0.0006446700000000, -0.0002995000000000, -0.0001969200000000 ] - [ -0.0004673500000000, -0.0009161600000000, 0.0002541700000000 ] - [ -0.0003118800000000, -0.0007530700000000, -0.0008185100000000 ] - [ -0.0003877600000000, 0.0005346300000000, 0.0007661100000000 ] - [ -0.0064032100000000, 0.0016699200000000, -0.0022863000000000 ] - [ 0.0012864900000000, 0.0004214500000000, 0.0000667100000000 ] - [ -0.0002455500000000, -0.0002612300000000, -0.0002395400000000 ] - [ 0.0001413700000000, 0.0000370800000000, -0.0001199200000000 ] - [ -0.0007034900000000, -0.0001769900000000, 0.0001575500000000 ] - [ -0.0012695700000000, 0.0001710500000000, 0.0006325800000000 ] - [ -0.0008878300000000, -0.0002369300000000, 0.0001621900000000 ] - [ -0.0008777900000000, -0.0004157000000000, 0.0003586300000000 ] - [ 0.0007627800000000, -0.0004835200000000, -0.0008685000000000 ] - [ 0.0006853600000000, 0.0008054900000000, 0.0007060300000000 ] - [ 0.0004343700000000, -0.0000252800000000, -0.0002619500000000 ] - [ 0.0006109700000000, -0.0006418000000000, 0.0001805800000000 ] - [ 0.0059149900000000, -0.0105225500000000, 0.0090218300000000 ] - [ 0.0010030600000000, 0.0007811400000000, -0.0006465300000000 ] - [ -0.0009318200000000, 0.0000118400000000, 0.0001969700000000 ] - [ -0.0007359000000000, -0.0000436800000000, 0.0001926500000000 ] - [ 0.0017693000000000, -0.0002040100000000, 0.0003100100000000 ] - [ -0.0009726400000000, -0.0002905600000000, -0.0004711900000000 ] - [ -0.0003128100000000, 0.0000272500000000, -0.0002374200000000 ] - [ -0.0004420400000000, 0.0000348800000000, -0.0002496000000000 ] - [ 0.0002586800000000, 0.0001036300000000, 0.0002352100000000 ] - [ 0.0002069500000000, -0.0001090300000000, 0.0001137700000000 ] - [ 0.0004340100000000, -0.0006083400000000, 0.0008529100000000 ] - [ -0.0007672200000000, 0.0003520100000000, -0.0005249800000000 ] - [ 0.0000715200000000, -0.0021225300000000, -0.0003665500000000 ] - [ -0.0021035900000000, 0.0004779100000000, 0.0006872400000000 ] - [ 0.0000143200000000, 0.0002908900000000, -0.0002386100000000 ] - [ -0.0000031400000000, 0.0001663100000000, -0.0002330200000000 ] - [ -0.0000291100000000, 0.0000656500000000, -0.0002738300000000 ] - [ 0.0000192200000000, -0.0000478000000000, -0.0002968600000000 ] - [ -0.0000276200000000, -0.0001555300000000, -0.0001092800000000 ] - [ 0.0002359700000000, 0.0003287700000000, -0.0009550900000000 ] - [ 0.0000118500000000, -0.0000893400000000, 0.0002194700000000 ] - [ -0.0001677000000000, -0.0002802900000000, -0.0011582300000000 ] - [ -0.0000595800000000, 0.0003968200000000, 0.0000480900000000 ] - [ -0.0000618400000000, 0.0004200300000000, 0.0000083000000000 ] - [ 0.0002263800000000, 0.0009663400000000, 0.0003653600000000 ] - [ -0.0002453800000000, -0.0004832400000000, 0.0001246700000000 ] - [ 0.0001836400000000, -0.0004831500000000, 0.0001409900000000 ] - [ -0.0003589600000000, 0.0000295600000000, 0.0001075000000000 ] - [ 0.0000604600000000, -0.0006792300000000, 0.0000710400000000 ] - [ -0.0001219400000000, -0.0008709300000000, -0.0013080600000000 ] - [ -0.0000098800000000, -0.0001930300000000, -0.0001027100000000 ] - [ -0.0000126800000000, -0.0001695200000000, -0.0001429300000000 ] - [ 0.0002341500000000, 0.0001076900000000, -0.0000086400000000 ] - [ -0.0003096600000000, 0.0006183000000000, -0.0000440700000000 ] - [ 0.0002777000000000, 0.0015575500000000, 0.0002138400000000 ] - [ -0.0001967000000000, 0.0001078600000000, -0.0000267700000000 ] - [ 0.0001507000000000, -0.0024690100000000, 0.0002566100000000 ] - [ -0.0020733500000000, 0.0001127200000000, 0.0012853500000000 ] - [ 0.0000412400000000, -0.0000752200000000, 0.0003650500000000 ] - [ 0.0000236100000000, -0.0001999200000000, 0.0003708400000000 ] - [ 0.0000007800000000, 0.0002105100000000, 0.0004959500000000 ] - [ 0.0002619300000000, 0.0006944100000000, -0.0003520700000000 ] - [ -0.0000014700000000, 0.0004317300000000, 0.0003306300000000 ] - [ 0.0000461300000000, 0.0003186200000000, 0.0003075200000000 ] - [ 0.0023571500000000, -0.0000010200000000, 0.0007591900000000 ] - [ -0.0003790100000000, -0.0000947800000000, -0.0000320400000000 ] - [ 0.0002786200000000, 0.0002225000000000, 0.0002008800000000 ] - [ 0.0001498900000000, 0.0002296200000000, 0.0001888900000000 ] - [ -0.0001553000000000, -0.0004128800000000, 0.0004145100000000 ] - [ -0.0013596500000000, 0.0005450600000000, -0.0009619200000000 ] - [ -0.0003334800000000, 0.0002981800000000, -0.0002028200000000 ] - [ -0.0003850100000000, 0.0000857200000000, -0.0003242600000000 ] - [ 0.0000268200000000, 0.0004521800000000, 0.0008445800000000 ] - [ 0.0001423400000000, -0.0000019200000000, -0.0013771400000000 ] - [ 0.0002508800000000, 0.0005899500000000, 0.0002274100000000 ] - [ 0.0001502500000000, 0.0006793000000000, -0.0006362100000000 ] - [ 0.0210162000000000, -0.0141425400000000, 0.0133056400000000 ] - [ -0.0020560700000000, -0.0003477600000000, -0.0000362400000000 ] - [ 0.0001004100000000, 0.0004073600000000, 0.0001049400000000 ] - [ -0.0001736400000000, 0.0002590500000000, 0.0000603100000000 ] - [ 0.0000208500000000, 0.0002701800000000, 0.0003302300000000 ] - [ -0.0000794400000000, 0.0003588200000000, -0.0005331500000000 ] - [ -0.0001945100000000, 0.0001344600000000, 0.0009526500000000 ] - [ -0.0000849500000000, -0.0003186800000000, -0.0012762700000000 ] - [ 0.0213104400000000, -0.0142363200000000, 0.0130258000000000 ] - [ -0.0018264800000000, -0.0006623700000000, -0.0001404400000000 ] - [ 0.0003284800000000, 0.0000896600000000, -0.0000033900000000 ] - [ 0.0000512300000000, -0.0000614000000000, -0.0000450700000000 ]- atom: 9 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0060637900000000, -0.0011933300000000, -0.0012275800000000 ] - [ -0.0003562000000000, -0.0002694200000000, -0.0001707500000000 ] - [ 0.0005298400000000, 0.0001878700000000, -0.0000699500000000 ] - [ 0.0004355200000000, 0.0001476500000000, -0.0001104300000000 ] - [ 0.0000435600000000, -0.0003012500000000, 0.0005320400000000 ] - [ -0.0003375200000000, -0.0004136000000000, -0.0012213200000000 ] - [ 0.0000224600000000, 0.0000439700000000, -0.0000656800000000 ] - [ -0.0000596400000000, 0.0001074700000000, -0.0003076100000000 ] - [ 0.0358954900000000, -0.0451578000000000, 0.0416911200000000 ] - [ -0.0005313400000000, -0.0000507600000000, -0.0005157500000000 ] - [ 0.0004617000000000, 0.0004525200000000, -0.0004702600000000 ] - [ 0.0003720500000000, 0.0003553600000000, -0.0004517700000000 ] - [ 0.0005474000000000, 0.0002240000000000, 0.0001058400000000 ] - [ 0.0003437300000000, -0.0002084800000000, -0.0010098000000000 ] - [ 0.0005474900000000, 0.0002215400000000, 0.0001011100000000 ] - [ 0.0003426400000000, -0.0002081100000000, -0.0010085900000000 ] - [ 0.0001316200000000, 0.0004024000000000, 0.0003618800000000 ] - [ -0.0002558700000000, 0.0001033300000000, 0.0002459700000000 ] - [ 0.0062957600000000, -0.0014816000000000, 0.0023971000000000 ] - [ -0.0014091400000000, -0.0002968700000000, 0.0000550900000000 ] - [ -0.0001278900000000, -0.0001485400000000, 0.0008570800000000 ] - [ -0.0005058200000000, -0.0002690500000000, -0.0008978700000000 ] - [ -0.0001498300000000, 0.0001959600000000, 0.0002623400000000 ] - [ -0.0002347900000000, 0.0002685500000000, 0.0000166900000000 ] - [ -0.0061600500000000, 0.0100244600000000, -0.0086200300000000 ] - [ -0.0012059200000000, -0.0012599800000000, 0.0010143000000000 ] - [ 0.0007230600000000, -0.0004816400000000, 0.0001623100000000 ] - [ 0.0005350600000000, -0.0004286600000000, 0.0001691600000000 ] - [ 0.0006723300000000, 0.0007082900000000, 0.0001992800000000 ] - [ 0.0006668300000000, 0.0008874600000000, 0.0000032200000000 ] - [ 0.0004864100000000, 0.0006478800000000, 0.0002014800000000 ] - [ 0.0010613600000000, 0.0003022900000000, -0.0002723800000000 ] - [ 0.0049674500000000, -0.0008988700000000, -0.0012503100000000 ] - [ -0.0014358600000000, 0.0000039200000000, -0.0000969500000000 ] - [ -0.0005426800000000, 0.0004558100000000, -0.0000189500000000 ] - [ -0.0006362200000000, 0.0004152300000000, -0.0000574300000000 ] - [ -0.0005320300000000, -0.0002324900000000, 0.0000779400000000 ] - [ -0.0007048600000000, 0.0003858100000000, -0.0003655400000000 ] - [ -0.0008563800000000, 0.0002275500000000, 0.0006760700000000 ] - [ -0.0007838500000000, -0.0010746700000000, -0.0008940100000000 ] - [ 0.0064634900000000, -0.0014340100000000, 0.0021034500000000 ] - [ -0.0012324600000000, -0.0001318600000000, -0.0002702100000000 ] - [ 0.0002990900000000, 0.0005535000000000, 0.0000353200000000 ] - [ -0.0000884300000000, 0.0002488700000000, -0.0000831400000000 ] - [ -0.0010070400000000, -0.0001125800000000, 0.0002577500000000 ] - [ -0.0004263200000000, -0.0004562500000000, -0.0002214100000000 ] - [ -0.0008177700000000, -0.0000514200000000, 0.0002486300000000 ] - [ -0.0008384200000000, 0.0001268900000000, 0.0000509900000000 ] - [ 0.0002216900000000, 0.0004995400000000, 0.0006218800000000 ] - [ 0.0002898300000000, -0.0007874300000000, -0.0009305100000000 ] - [ 0.0005478600000000, 0.0000376300000000, 0.0000221600000000 ] - [ 0.0003688800000000, 0.0006538300000000, -0.0004299100000000 ] - [ -0.0077274200000000, 0.0109577600000000, -0.0087303200000000 ] - [ -0.0026812800000000, -0.0004931700000000, 0.0010484400000000 ] - [ -0.0007628800000000, 0.0002779300000000, 0.0002128800000000 ] - [ -0.0009547000000000, 0.0003307600000000, 0.0002190900000000 ] - [ -0.0024999900000000, 0.0000163500000000, -0.0008098800000000 ] - [ 0.0002454300000000, 0.0000899700000000, -0.0000436600000000 ] - [ -0.0004105800000000, -0.0002281900000000, -0.0002738800000000 ] - [ -0.0002812900000000, -0.0002341700000000, -0.0002624200000000 ] - [ 0.0002012600000000, -0.0002937800000000, 0.0001303800000000 ] - [ 0.0002531000000000, -0.0000822800000000, 0.0002518000000000 ] - [ 0.0000182000000000, 0.0004219300000000, -0.0004896800000000 ] - [ 0.0012287600000000, -0.0005407300000000, 0.0008896800000000 ] - [ -0.0002283700000000, 0.0022270100000000, -0.0001889200000000 ] - [ 0.0020824600000000, -0.0002996500000000, -0.0011919700000000 ] - [ -0.0000240000000000, -0.0001212600000000, -0.0002701000000000 ] - [ -0.0000055800000000, 0.0000036600000000, -0.0002750600000000 ] - [ 0.0000190300000000, -0.0002353800000000, -0.0002352600000000 ] - [ -0.0000277000000000, -0.0001226200000000, -0.0002113200000000 ] - [ 0.0000167300000000, -0.0000143300000000, -0.0004002300000000 ] - [ -0.0002398400000000, -0.0005004600000000, 0.0004490400000000 ] - [ -0.0001356300000000, 0.0006113400000000, -0.0001469800000000 ] - [ 0.0000472600000000, 0.0008067900000000, 0.0012370300000000 ] - [ -0.0000680500000000, 0.0001275700000000, 0.0000301700000000 ] - [ -0.0000652600000000, 0.0001038500000000, 0.0000707000000000 ] - [ -0.0003603200000000, -0.0014901500000000, -0.0002865200000000 ] - [ 0.0001193300000000, -0.0000443900000000, -0.0000449700000000 ] - [ -0.0003159500000000, -0.0000438700000000, -0.0000665700000000 ] - [ 0.0002325900000000, -0.0005522900000000, -0.0000281700000000 ] - [ -0.0000926600000000, 0.0000253300000000, -0.0002886900000000 ] - [ 0.0000862000000000, 0.0002124600000000, 0.0010836300000000 ] - [ -0.0000183000000000, -0.0004625600000000, -0.0001209400000000 ] - [ -0.0000161400000000, -0.0004862200000000, -0.0000812300000000 ] - [ -0.0002579500000000, 0.0005503900000000, -0.0002111100000000 ] - [ 0.0002804200000000, 0.0000352400000000, -0.0001809600000000 ] - [ -0.0002998100000000, -0.0009022500000000, -0.0004380300000000 ] - [ 0.0001674700000000, 0.0005511600000000, -0.0001986700000000 ] - [ 0.0000385200000000, 0.0019690500000000, 0.0004887300000000 ] - [ 0.0021298300000000, -0.0006838000000000, -0.0005903200000000 ] - [ 0.0000038600000000, -0.0004872700000000, 0.0003343500000000 ] - [ 0.0000199900000000, -0.0003623600000000, 0.0003286500000000 ] - [ 0.0000455300000000, 0.0003513000000000, 0.0002058400000000 ] - [ -0.0002223600000000, -0.0001294200000000, 0.0010486200000000 ] - [ 0.0000462900000000, 0.0001303300000000, 0.0003698600000000 ] - [ -0.0000017500000000, 0.0002444100000000, 0.0003916500000000 ] - [ -0.0018897600000000, 0.0001789700000000, -0.0004050700000000 ] - [ 0.0008431000000000, 0.0002862200000000, 0.0004004000000000 ] - [ 0.0001812300000000, -0.0000311300000000, 0.0001641200000000 ] - [ 0.0003107100000000, -0.0000397600000000, 0.0001768500000000 ] - [ -0.0005601600000000, 0.0006084300000000, -0.0009237000000000 ] - [ 0.0006343300000000, -0.0003469100000000, 0.0004508700000000 ] - [ -0.0003901000000000, -0.0000989300000000, -0.0003086400000000 ] - [ -0.0003388900000000, 0.0001145900000000, -0.0001871000000000 ] - [ 0.0003583600000000, 0.0001597100000000, -0.0008702000000000 ] - [ 0.0002443600000000, 0.0006106600000000, 0.0013491000000000 ] - [ 0.0001347400000000, 0.0000231600000000, -0.0002506600000000 ] - [ 0.0002396000000000, -0.0000586200000000, 0.0006157500000000 ] - [ -0.0212878900000000, 0.0142245400000000, -0.0131639500000000 ] - [ 0.0019988200000000, 0.0003730400000000, 0.0002200500000000 ] - [ -0.0001740800000000, -0.0003720900000000, 0.0000760600000000 ] - [ 0.0000998200000000, -0.0002242600000000, 0.0001203500000000 ] - [ -0.0000930700000000, -0.0003032700000000, -0.0001548400000000 ] - [ 0.0000086500000000, -0.0003874000000000, 0.0007155500000000 ] - [ 0.0001287900000000, -0.0001581000000000, -0.0007631500000000 ] - [ 0.0000128200000000, 0.0002957400000000, 0.0014702900000000 ] - [ -0.0207326000000000, 0.0135638200000000, -0.0129985100000000 ] - [ 0.0022123000000000, 0.0000461300000000, 0.0001275900000000 ] - [ 0.0000502600000000, -0.0006940100000000, -0.0000321300000000 ] - [ 0.0003241100000000, -0.0005454200000000, 0.0000142400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026510600000000, -0.0043965700000000, -0.0130665100000000 ] - [ 0.0002409200000000, -0.0017204200000000, -0.0009508000000000 ] - [ 0.0004352700000000, 0.0012986700000000, 0.0002465300000000 ] - [ 0.0004669900000000, 0.0009557200000000, -0.0000673200000000 ] - [ 0.0003171300000000, -0.0016049600000000, 0.0005172600000000 ] - [ -0.0005563400000000, -0.0014970500000000, -0.0007096900000000 ] - [ -0.0001090800000000, 0.0011444300000000, -0.0005143700000000 ] - [ -0.0003650400000000, 0.0011929100000000, -0.0004824800000000 ] - [ 0.0455898700000000, -0.1858855400000000, 0.1419196000000000 ] - [ 0.0006245400000000, -0.0023337500000000, 0.0006526700000000 ] - [ 0.0001157000000000, 0.0025523000000000, -0.0014731000000000 ] - [ 0.0002196300000000, 0.0016221600000000, -0.0010376100000000 ] - [ 0.0007896700000000, 0.0006253500000000, -0.0001875300000000 ] - [ 0.0003666100000000, 0.0005183400000000, -0.0004037400000000 ] - [ 0.0007896500000000, 0.0006260800000000, -0.0001843100000000 ] - [ 0.0003636800000000, 0.0005213600000000, -0.0004013100000000 ] - [ 0.0001279500000000, 0.0024950100000000, 0.0009263700000000 ] - [ 0.0000660600000000, 0.0010027900000000, 0.0003770700000000 ] - [ 0.0044247900000000, 0.0234067200000000, -0.0066936400000000 ] - [ -0.0009486400000000, -0.0009932900000000, 0.0000360500000000 ] - [ 0.0001547700000000, -0.0014448600000000, 0.0008357200000000 ] - [ -0.0007294400000000, -0.0013419800000000, -0.0003816100000000 ] - [ -0.0002763900000000, 0.0012900800000000, -0.0001876500000000 ] - [ -0.0005347300000000, 0.0013420700000000, -0.0001561600000000 ] - [ -0.0139102600000000, 0.0026024900000000, -0.0062456000000000 ] - [ 0.0019703100000000, -0.0022495400000000, 0.0000458800000000 ] - [ 0.0006720100000000, 0.0008214600000000, 0.0002739100000000 ] - [ 0.0003950800000000, 0.0003075500000000, 0.0001400900000000 ] - [ 0.0010883400000000, 0.0012927400000000, 0.0000133800000000 ] - [ 0.0003169100000000, 0.0019186000000000, -0.0002928000000000 ] - [ 0.0007948200000000, 0.0005485500000000, -0.0003668900000000 ] - [ 0.0011881100000000, 0.0002467200000000, 0.0012345500000000 ] - [ 0.0015360000000000, -0.0040036200000000, -0.0130479400000000 ] - [ -0.0008288600000000, -0.0014492500000000, -0.0009019700000000 ] - [ -0.0006367300000000, 0.0015652800000000, 0.0002965700000000 ] - [ -0.0006056800000000, 0.0012217700000000, -0.0000210400000000 ] - [ 0.0004853300000000, 0.0011900300000000, -0.0008080600000000 ] - [ -0.0012433000000000, 0.0010068700000000, -0.0006096200000000 ] - [ -0.0014997100000000, 0.0001615900000000, 0.0010761900000000 ] - [ 0.0001333300000000, -0.0001369400000000, 0.0004895700000000 ] - [ 0.0047839300000000, 0.0239830500000000, -0.0071657900000000 ] - [ -0.0007830000000000, -0.0008470100000000, -0.0002893300000000 ] - [ 0.0002982700000000, 0.0026415500000000, 0.0005982300000000 ] - [ 0.0002347800000000, 0.0011511700000000, 0.0000495800000000 ] - [ -0.0007078400000000, -0.0002204100000000, -0.0003141900000000 ] - [ -0.0002907800000000, -0.0005181400000000, 0.0012885400000000 ] - [ -0.0003959200000000, 0.0005367900000000, 0.0000637600000000 ] - [ -0.0011751800000000, 0.0011600700000000, -0.0002413000000000 ] - [ -0.0004307100000000, 0.0004319400000000, 0.0010223500000000 ] - [ 0.0012066100000000, 0.0001225300000000, 0.0004393300000000 ] - [ 0.0015545100000000, 0.0014581100000000, -0.0008531800000000 ] - [ -0.0001686900000000, 0.0012739300000000, -0.0006585800000000 ] - [ -0.0155527000000000, 0.0034052600000000, -0.0063314800000000 ] - [ 0.0004736700000000, -0.0014926000000000, 0.0000995700000000 ] - [ -0.0008201900000000, 0.0015802300000000, 0.0003225800000000 ] - [ -0.0010945600000000, 0.0010672300000000, 0.0001889100000000 ] - [ -0.0001153600000000, 0.0033105400000000, -0.0021543700000000 ] - [ -0.0003672100000000, 0.0006647500000000, 0.0000672000000000 ] - [ -0.0003574400000000, -0.0013238800000000, -0.0001419100000000 ] - [ -0.0002264700000000, -0.0007508800000000, -0.0003503800000000 ] - [ 0.0002911400000000, -0.0008203200000000, 0.0000740300000000 ] - [ 0.0000656500000000, -0.0006982900000000, 0.0002389500000000 ] - [ -0.0021359600000000, -0.0000925300000000, 0.0015631000000000 ] - [ 0.0016318100000000, -0.0001789900000000, 0.0008235200000000 ] - [ -0.0018005900000000, 0.0039392900000000, -0.0014829800000000 ] - [ 0.0014924800000000, 0.0014616900000000, -0.0011612600000000 ] - [ 0.0000520700000000, -0.0009218900000000, -0.0002911200000000 ] - [ -0.0001962500000000, -0.0006940900000000, -0.0002979100000000 ] - [ -0.0000004200000000, -0.0007619500000000, 0.0000038100000000 ] - [ 0.0000529900000000, -0.0006476700000000, -0.0003836200000000 ] - [ -0.0001383800000000, 0.0002435700000000, -0.0004905700000000 ] - [ 0.0005806400000000, -0.0009824900000000, 0.0015850600000000 ] - [ -0.0008645700000000, 0.0020663000000000, 0.0009936200000000 ] - [ 0.0007987900000000, 0.0026261700000000, 0.0010868200000000 ] - [ -0.0000806500000000, -0.0006023000000000, 0.0000530300000000 ] - [ -0.0000827800000000, -0.0006779000000000, 0.0000641500000000 ] - [ 0.0015220500000000, -0.0027632400000000, -0.0005147200000000 ] - [ -0.0005956700000000, -0.0004299900000000, 0.0000248900000000 ] - [ -0.0013013600000000, -0.0024889200000000, -0.0010018100000000 ] - [ 0.0004667200000000, -0.0007626800000000, -0.0000300400000000 ] - [ -0.0008205500000000, 0.0014807500000000, 0.0008484900000000 ] - [ 0.0008419200000000, 0.0020312100000000, 0.0009294400000000 ] - [ -0.0000308900000000, -0.0011923300000000, -0.0000994600000000 ] - [ -0.0000328500000000, -0.0012679000000000, -0.0000881200000000 ] - [ -0.0012552500000000, -0.0018985700000000, -0.0011560500000000 ] - [ 0.0005179600000000, -0.0001709900000000, -0.0001828300000000 ] - [ 0.0015665500000000, -0.0021689100000000, -0.0006660700000000 ] - [ -0.0005450100000000, 0.0001576000000000, -0.0001267000000000 ] - [ -0.0017764900000000, 0.0035848500000000, -0.0008860400000000 ] - [ 0.0015169500000000, 0.0011008000000000, -0.0005568000000000 ] - [ 0.0000792000000000, -0.0012878000000000, 0.0003119600000000 ] - [ -0.0001682600000000, -0.0010599100000000, 0.0003052200000000 ] - [ -0.0001111100000000, 0.0006110200000000, 0.0001096100000000 ] - [ 0.0006032600000000, -0.0006073600000000, 0.0021935700000000 ] - [ 0.0000259200000000, -0.0003978300000000, 0.0006060700000000 ] - [ 0.0000804800000000, -0.0002825000000000, 0.0002204400000000 ] - [ 0.0005288200000000, 0.0033580800000000, -0.0018521100000000 ] - [ 0.0002236000000000, 0.0008576100000000, 0.0005061000000000 ] - [ 0.0002341900000000, -0.0011317600000000, 0.0002986400000000 ] - [ 0.0003651900000000, -0.0005559400000000, 0.0000886600000000 ] - [ -0.0027254300000000, 0.0001134200000000, 0.0011255000000000 ] - [ 0.0010377800000000, 0.0000177600000000, 0.0003829200000000 ] - [ -0.0003010300000000, -0.0006253900000000, -0.0003640500000000 ] - [ -0.0005255000000000, -0.0005041500000000, -0.0001992500000000 ] - [ 0.0000744900000000, 0.0006396300000000, -0.0010198700000000 ] - [ -0.0002113500000000, 0.0007407100000000, -0.0004994600000000 ] - [ -0.0003405500000000, -0.0013304800000000, 0.0008331400000000 ] - [ 0.0007437600000000, -0.0012871600000000, 0.0006526100000000 ] - [ -0.0140877200000000, 0.0635884900000000, -0.0427849000000000 ] - [ -0.0004085300000000, 0.0025865500000000, 0.0000391600000000 ] - [ -0.0001060900000000, -0.0028471000000000, 0.0000616300000000 ] - [ 0.0001065200000000, -0.0015881800000000, 0.0002724100000000 ] - [ -0.0005732600000000, -0.0016526100000000, 0.0009326600000000 ] - [ 0.0005138300000000, -0.0016099500000000, 0.0007514800000000 ] - [ -0.0001663100000000, 0.0003112500000000, -0.0009208300000000 ] - [ -0.0004347300000000, 0.0004101800000000, -0.0004060000000000 ] - [ -0.0146308700000000, 0.0658246300000000, -0.0461254400000000 ] - [ -0.0001699800000000, 0.0022673300000000, -0.0000610900000000 ] - [ 0.0001235400000000, -0.0031681700000000, -0.0000353200000000 ] - [ 0.0003340400000000, -0.0019147700000000, 0.0001744900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016624600000000, 0.0042944400000000, 0.0128177700000000 ] - [ 0.0007357000000000, 0.0017109900000000, 0.0007234700000000 ] - [ 0.0005458400000000, -0.0013104300000000, -0.0004831200000000 ] - [ 0.0005142600000000, -0.0009660300000000, -0.0001651000000000 ] - [ -0.0002566100000000, 0.0012954800000000, -0.0007115700000000 ] - [ 0.0006177500000000, 0.0011975600000000, 0.0005138000000000 ] - [ 0.0001668700000000, -0.0014364200000000, 0.0003160700000000 ] - [ 0.0004244100000000, -0.0014861500000000, 0.0002835400000000 ] - [ -0.0447030300000000, 0.1861295500000000, -0.1426211600000000 ] - [ 0.0002809500000000, 0.0025728100000000, -0.0013305800000000 ] - [ 0.0007928000000000, -0.0023230700000000, 0.0008041000000000 ] - [ 0.0006867300000000, -0.0013867500000000, 0.0003630400000000 ] - [ 0.0001179700000000, -0.0008579700000000, -0.0004845500000000 ] - [ 0.0005394700000000, -0.0007605400000000, -0.0002747200000000 ] - [ 0.0001168900000000, -0.0008579900000000, -0.0004882700000000 ] - [ 0.0005432100000000, -0.0007516300000000, -0.0002710300000000 ] - [ -0.0004119800000000, -0.0025005900000000, -0.0004719700000000 ] - [ -0.0003473400000000, -0.0010100000000000, 0.0000764200000000 ] - [ -0.0048243600000000, -0.0239081100000000, 0.0072817300000000 ] - [ 0.0006635200000000, 0.0009825600000000, 0.0004160000000000 ] - [ -0.0004369400000000, 0.0014604800000000, -0.0003841100000000 ] - [ 0.0004441100000000, 0.0013561600000000, 0.0008324600000000 ] - [ -0.0000043600000000, -0.0012856900000000, 0.0006407500000000 ] - [ 0.0002498600000000, -0.0013306300000000, 0.0006082200000000 ] - [ 0.0153317700000000, -0.0038058800000000, 0.0066150300000000 ] - [ -0.0006778200000000, 0.0010238400000000, 0.0002655700000000 ] - [ 0.0006111000000000, -0.0020486800000000, 0.0000383600000000 ] - [ 0.0008889100000000, -0.0015377400000000, 0.0001712200000000 ] - [ 0.0001885600000000, -0.0000654700000000, 0.0002962800000000 ] - [ 0.0009719800000000, -0.0006895200000000, 0.0006025500000000 ] - [ 0.0004943100000000, 0.0006849400000000, 0.0006765600000000 ] - [ 0.0000946500000000, 0.0009862000000000, -0.0009246500000000 ] - [ -0.0027188000000000, 0.0046235400000000, 0.0129386000000000 ] - [ -0.0003456300000000, 0.0019809900000000, 0.0007810700000000 ] - [ -0.0005349000000000, -0.0010378300000000, -0.0004255800000000 ] - [ -0.0005663100000000, -0.0006947000000000, -0.0001085600000000 ] - [ -0.0016526500000000, -0.0017173300000000, 0.0006738400000000 ] - [ 0.0000680300000000, -0.0015386700000000, 0.0004853900000000 ] - [ 0.0003268700000000, -0.0006883100000000, -0.0012036000000000 ] - [ -0.0013095200000000, -0.0003874200000000, -0.0006207000000000 ] - [ -0.0046064900000000, -0.0231956700000000, 0.0068315800000000 ] - [ 0.0008416400000000, 0.0011378400000000, 0.0000903800000000 ] - [ -0.0002343300000000, -0.0023442900000000, -0.0007965600000000 ] - [ -0.0001745800000000, -0.0008532000000000, -0.0002475900000000 ] - [ -0.0010062000000000, -0.0000728700000000, 0.0007274500000000 ] - [ -0.0014063300000000, 0.0002272800000000, -0.0008757600000000 ] - [ -0.0013072500000000, -0.0008223700000000, 0.0003485300000000 ] - [ -0.0005251500000000, -0.0014457700000000, 0.0006541400000000 ] - [ 0.0014098700000000, -0.0004220600000000, -0.0012626300000000 ] - [ -0.0002274700000000, -0.0001198800000000, -0.0006633700000000 ] - [ -0.0005798300000000, -0.0014504900000000, 0.0006280700000000 ] - [ 0.0011493200000000, -0.0012632900000000, 0.0004301500000000 ] - [ 0.0137113200000000, -0.0031436400000000, 0.0066831800000000 ] - [ -0.0021765300000000, 0.0017751700000000, 0.0003116100000000 ] - [ -0.0008893600000000, -0.0012945200000000, 0.0000875400000000 ] - [ -0.0006091600000000, -0.0007796800000000, 0.0002227800000000 ] - [ -0.0006397200000000, -0.0034186300000000, 0.0017218400000000 ] - [ -0.0003577800000000, -0.0008625400000000, -0.0005796400000000 ] - [ -0.0003668200000000, 0.0011275200000000, -0.0003708200000000 ] - [ -0.0004978700000000, 0.0005516600000000, -0.0001610900000000 ] - [ 0.0001705900000000, 0.0006312700000000, 0.0002912400000000 ] - [ 0.0003947900000000, 0.0005089500000000, 0.0001262300000000 ] - [ 0.0025978800000000, -0.0001062500000000, -0.0012020900000000 ] - [ -0.0011665300000000, -0.0000132500000000, -0.0004558300000000 ] - [ 0.0017447400000000, -0.0038048600000000, 0.0009672900000000 ] - [ -0.0014969900000000, -0.0012931500000000, 0.0006526300000000 ] - [ -0.0000618800000000, 0.0010933800000000, -0.0002160100000000 ] - [ 0.0001853400000000, 0.0008652100000000, -0.0002096400000000 ] - [ -0.0000097100000000, 0.0005919900000000, -0.0005101900000000 ] - [ -0.0000638100000000, 0.0004771300000000, -0.0001251200000000 ] - [ 0.0001282000000000, -0.0004170200000000, -0.0000160400000000 ] - [ -0.0005919900000000, 0.0008046700000000, -0.0020960900000000 ] - [ 0.0007417600000000, -0.0015447100000000, -0.0009195900000000 ] - [ -0.0009201900000000, -0.0020980000000000, -0.0010016300000000 ] - [ -0.0000458200000000, 0.0011264300000000, 0.0000271800000000 ] - [ -0.0000436000000000, 0.0012020800000000, 0.0000149800000000 ] - [ -0.0016406900000000, 0.0022394200000000, 0.0005943700000000 ] - [ 0.0004668000000000, -0.0000924400000000, 0.0000547600000000 ] - [ 0.0011790800000000, 0.0019679500000000, 0.0010849300000000 ] - [ -0.0005935800000000, 0.0002362300000000, 0.0001098500000000 ] - [ 0.0007877400000000, -0.0021337700000000, -0.0010669600000000 ] - [ -0.0008768200000000, -0.0026905600000000, -0.0011587600000000 ] - [ 0.0000011700000000, 0.0005365600000000, -0.0001246500000000 ] - [ 0.0000038200000000, 0.0006124400000000, -0.0001357700000000 ] - [ 0.0012223700000000, 0.0025511400000000, 0.0009287000000000 ] - [ -0.0005466000000000, 0.0008286600000000, -0.0000413100000000 ] - [ -0.0016044600000000, 0.0028236700000000, 0.0004416400000000 ] - [ 0.0005174600000000, 0.0004961500000000, -0.0000973200000000 ] - [ 0.0018663900000000, -0.0041125300000000, 0.0015930300000000 ] - [ -0.0014770800000000, -0.0016619800000000, 0.0012570600000000 ] - [ -0.0000342800000000, 0.0007236700000000, 0.0003871700000000 ] - [ 0.0002152200000000, 0.0004960200000000, 0.0003935900000000 ] - [ 0.0001566300000000, -0.0000454500000000, 0.0005888100000000 ] - [ -0.0005567900000000, 0.0011776900000000, -0.0014904300000000 ] - [ 0.0000199800000000, 0.0009605100000000, 0.0000922900000000 ] - [ -0.0000339200000000, 0.0008458000000000, 0.0004797700000000 ] - [ -0.0000374500000000, -0.0032584000000000, 0.0021413200000000 ] - [ 0.0002382900000000, -0.0006690600000000, -0.0001394600000000 ] - [ 0.0002266700000000, 0.0013189000000000, 0.0000685700000000 ] - [ 0.0000955300000000, 0.0007458700000000, 0.0002769600000000 ] - [ 0.0020003900000000, 0.0000946300000000, -0.0016323100000000 ] - [ -0.0017662400000000, 0.0001834800000000, -0.0008964500000000 ] - [ -0.0004243400000000, 0.0008233500000000, -0.0001469600000000 ] - [ -0.0001983600000000, 0.0007020400000000, -0.0003115500000000 ] - [ 0.0003179700000000, -0.0000173900000000, 0.0010010900000000 ] - [ 0.0005986700000000, -0.0001119800000000, 0.0004809400000000 ] - [ 0.0007287800000000, 0.0019459900000000, -0.0008563600000000 ] - [ -0.0003590000000000, 0.0019046900000000, -0.0006694900000000 ] - [ 0.0150378300000000, -0.0661477600000000, 0.0461090900000000 ] - [ 0.0003357800000000, -0.0025515800000000, 0.0001348400000000 ] - [ 0.0000303300000000, 0.0028834700000000, 0.0001125200000000 ] - [ -0.0001804400000000, 0.0016279300000000, -0.0000973400000000 ] - [ 0.0004929600000000, 0.0016183200000000, -0.0007557500000000 ] - [ -0.0005860600000000, 0.0015763500000000, -0.0005788500000000 ] - [ 0.0000936800000000, -0.0003486400000000, 0.0010974600000000 ] - [ 0.0003674500000000, -0.0004547300000000, 0.0005807900000000 ] - [ 0.0140111900000000, -0.0638541400000000, 0.0429575200000000 ] - [ 0.0005581400000000, -0.0028879200000000, 0.0000479900000000 ] - [ 0.0002655200000000, 0.0025533900000000, 0.0000167400000000 ] - [ 0.0000464200000000, 0.0012935500000000, -0.0001917300000000 ]- atom: 9 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0024149600000000, -0.0069800400000000, 0.0159772800000000 ] - [ 0.0003786600000000, 0.0007532600000000, 0.0009690600000000 ] - [ 0.0005281800000000, -0.0003972800000000, -0.0002749100000000 ] - [ 0.0004854600000000, -0.0003029300000000, -0.0001077300000000 ] - [ -0.0018622600000000, 0.0007777900000000, 0.0009042300000000 ] - [ 0.0012990500000000, 0.0000940200000000, 0.0003038400000000 ] - [ 0.0000159900000000, -0.0005203700000000, 0.0001095100000000 ] - [ 0.0002415000000000, -0.0005558700000000, 0.0000507600000000 ] - [ -0.0143506700000000, 0.0925204200000000, -0.1029570300000000 ] - [ 0.0000450800000000, 0.0008439100000000, -0.0004753600000000 ] - [ 0.0005709400000000, -0.0006346500000000, -0.0000148600000000 ] - [ 0.0005015600000000, -0.0003343500000000, -0.0001218600000000 ] - [ 0.0001432100000000, -0.0000478800000000, 0.0000999000000000 ] - [ 0.0009455600000000, -0.0001137600000000, -0.0000873400000000 ] - [ 0.0001433700000000, -0.0000543100000000, 0.0000920200000000 ] - [ 0.0009469700000000, -0.0001091600000000, -0.0000870200000000 ] - [ -0.0001563200000000, -0.0008007200000000, -0.0001092300000000 ] - [ -0.0002541400000000, -0.0003116600000000, 0.0001888900000000 ] - [ 0.0003147200000000, -0.0107460400000000, -0.0029969900000000 ] - [ -0.0002546800000000, 0.0003298700000000, 0.0003542900000000 ] - [ -0.0020302800000000, 0.0009325400000000, 0.0012205700000000 ] - [ 0.0011280800000000, 0.0002452200000000, 0.0006286200000000 ] - [ -0.0001579800000000, -0.0003642900000000, 0.0004355600000000 ] - [ 0.0000657000000000, -0.0003943100000000, 0.0003738600000000 ] - [ 0.0075890400000000, -0.0004231900000000, -0.0045732300000000 ] - [ -0.0008875100000000, -0.0002305200000000, 0.0003065500000000 ] - [ 0.0006597200000000, -0.0010994300000000, 0.0000790900000000 ] - [ 0.0006731500000000, -0.0008614900000000, 0.0001575600000000 ] - [ 0.0003807300000000, 0.0004855700000000, 0.0003129500000000 ] - [ 0.0009602500000000, 0.0000193200000000, 0.0002984700000000 ] - [ -0.0003886800000000, 0.0002716700000000, 0.0010080800000000 ] - [ 0.0020609700000000, 0.0015674400000000, 0.0002779500000000 ] - [ 0.0014180900000000, -0.0068543400000000, 0.0163070700000000 ] - [ -0.0007038000000000, 0.0010201100000000, 0.0010172400000000 ] - [ -0.0005463700000000, -0.0001270500000000, -0.0002257400000000 ] - [ -0.0005937900000000, -0.0000309500000000, -0.0000456600000000 ] - [ -0.0010892900000000, -0.0009803400000000, 0.0003107700000000 ] - [ -0.0002770300000000, -0.0006242100000000, 0.0001107900000000 ] - [ -0.0014014300000000, 0.0003580400000000, -0.0002195700000000 ] - [ -0.0005423700000000, -0.0004201700000000, -0.0006072200000000 ] - [ 0.0004273800000000, -0.0105840600000000, -0.0032381300000000 ] - [ -0.0000777500000000, 0.0004862600000000, 0.0000241500000000 ] - [ 0.0000158800000000, -0.0006439500000000, -0.0004323100000000 ] - [ -0.0000784400000000, -0.0001514600000000, -0.0001353400000000 ] - [ -0.0018947800000000, -0.0004837900000000, 0.0010536400000000 ] - [ 0.0005934700000000, 0.0008172500000000, 0.0003301800000000 ] - [ -0.0011103100000000, -0.0002747800000000, 0.0003617600000000 ] - [ -0.0005423800000000, -0.0007387800000000, 0.0003452600000000 ] - [ -0.0003285800000000, 0.0006403000000000, -0.0002918500000000 ] - [ 0.0005328800000000, -0.0001481400000000, -0.0006592200000000 ] - [ -0.0000104800000000, -0.0007098000000000, 0.0002524800000000 ] - [ 0.0007978800000000, -0.0003458300000000, 0.0000455100000000 ] - [ 0.0061713600000000, 0.0002546800000000, -0.0044272500000000 ] - [ -0.0023686700000000, 0.0005304600000000, 0.0003593100000000 ] - [ -0.0008295600000000, -0.0003423500000000, 0.0001281100000000 ] - [ -0.0008269500000000, -0.0001026100000000, 0.0002071800000000 ] - [ -0.0008924500000000, -0.0020782500000000, 0.0015776000000000 ] - [ -0.0003412900000000, -0.0002288400000000, -0.0005745000000000 ] - [ -0.0003595800000000, 0.0003507700000000, -0.0002883300000000 ] - [ -0.0004036100000000, 0.0000832700000000, -0.0002366000000000 ] - [ 0.0002235500000000, -0.0000074400000000, 0.0002128300000000 ] - [ 0.0002596400000000, 0.0000941500000000, 0.0001712200000000 ] - [ 0.0021379400000000, 0.0010446300000000, -0.0006431800000000 ] - [ -0.0004074900000000, -0.0001346300000000, -0.0000858500000000 ] - [ -0.0001729200000000, -0.0004203800000000, 0.0021068800000000 ] - [ 0.0008506900000000, -0.0007537400000000, 0.0001784100000000 ] - [ -0.0000405900000000, 0.0004020500000000, -0.0002168300000000 ] - [ 0.0000759300000000, 0.0003411300000000, -0.0002419300000000 ] - [ 0.0000745900000000, 0.0001985600000000, -0.0004131600000000 ] - [ -0.0000666100000000, -0.0000811400000000, -0.0002326700000000 ] - [ 0.0001613000000000, -0.0004951000000000, -0.0007314500000000 ] - [ -0.0008509000000000, 0.0010919900000000, -0.0011208000000000 ] - [ 0.0012606400000000, -0.0004234600000000, -0.0017717800000000 ] - [ -0.0016814600000000, -0.0007268300000000, -0.0010435600000000 ] - [ -0.0000458300000000, 0.0005160900000000, 0.0000222400000000 ] - [ -0.0000730000000000, 0.0005613600000000, 0.0000267900000000 ] - [ -0.0007119700000000, 0.0003117300000000, 0.0006236800000000 ] - [ 0.0002150200000000, -0.0001383800000000, 0.0000586100000000 ] - [ 0.0003070800000000, 0.0005336200000000, 0.0006341800000000 ] - [ -0.0001599400000000, -0.0001584200000000, 0.0000870600000000 ] - [ 0.0013088500000000, -0.0010143900000000, -0.0019285700000000 ] - [ -0.0016245600000000, -0.0013194000000000, -0.0011974700000000 ] - [ 0.0000038200000000, -0.0000743900000000, -0.0001291800000000 ] - [ -0.0000225700000000, -0.0000285100000000, -0.0001247800000000 ] - [ 0.0003607100000000, 0.0011295800000000, 0.0004878800000000 ] - [ -0.0001118300000000, 0.0004316000000000, -0.0000621100000000 ] - [ -0.0006586100000000, 0.0008932500000000, 0.0004628400000000 ] - [ 0.0002631900000000, 0.0004536700000000, -0.0000925100000000 ] - [ -0.0001002200000000, -0.0007641300000000, 0.0027209000000000 ] - [ 0.0008883700000000, -0.0011309200000000, 0.0007967000000000 ] - [ -0.0000141000000000, 0.0000349200000000, 0.0003864200000000 ] - [ 0.0001016700000000, -0.0000251200000000, 0.0003621600000000 ] - [ 0.0001845200000000, -0.0001331100000000, -0.0001328000000000 ] - [ -0.0008180800000000, 0.0014562800000000, -0.0005251000000000 ] - [ 0.0001001600000000, 0.0005662800000000, 0.0001915000000000 ] - [ -0.0000394100000000, 0.0002863000000000, 0.0003715700000000 ] - [ -0.0002378700000000, -0.0020278200000000, 0.0018485900000000 ] - [ 0.0002479900000000, -0.0000331600000000, -0.0001367100000000 ] - [ 0.0002320300000000, 0.0005477700000000, 0.0001495500000000 ] - [ 0.0001866800000000, 0.0002787600000000, 0.0002025100000000 ] - [ 0.0015479000000000, 0.0012233900000000, -0.0010847500000000 ] - [ -0.0010078500000000, 0.0000637000000000, -0.0005291200000000 ] - [ -0.0003675400000000, 0.0001896000000000, -0.0002271500000000 ] - [ -0.0003322300000000, 0.0002900900000000, -0.0002677800000000 ] - [ 0.0019326600000000, -0.0004416900000000, -0.0004569700000000 ] - [ -0.0011971100000000, 0.0000776600000000, 0.0002979500000000 ] - [ 0.0005297000000000, 0.0007904300000000, -0.0006479600000000 ] - [ -0.0002522600000000, 0.0007174800000000, -0.0002802300000000 ] - [ -0.0007541000000000, -0.0283183700000000, 0.0402345000000000 ] - [ 0.0009991800000000, -0.0009438100000000, -0.0004665700000000 ] - [ -0.0000673400000000, 0.0009142200000000, 0.0001670900000000 ] - [ -0.0000272700000000, 0.0004893900000000, 0.0000131500000000 ] - [ 0.0002945200000000, 0.0004664400000000, -0.0005507800000000 ] - [ -0.0004782000000000, 0.0004020400000000, -0.0001759900000000 ] - [ 0.0017018400000000, -0.0007476900000000, -0.0003508700000000 ] - [ -0.0014287900000000, -0.0002363200000000, 0.0004084400000000 ] - [ -0.0011660500000000, -0.0279601500000000, 0.0398631800000000 ] - [ 0.0012191400000000, -0.0012591500000000, -0.0005744900000000 ] - [ 0.0001607900000000, 0.0005957900000000, 0.0000567700000000 ] - [ 0.0001981800000000, 0.0001735300000000, -0.0000932700000000 ]- atom: 9 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0014649900000000, 0.0070855100000000, -0.0164891300000000 ] - [ 0.0006064300000000, -0.0007656000000000, -0.0012106400000000 ] - [ 0.0004497500000000, 0.0003874200000000, 0.0000422000000000 ] - [ 0.0004988700000000, 0.0002878900000000, -0.0001445400000000 ] - [ 0.0019170600000000, -0.0010691200000000, -0.0010994800000000 ] - [ -0.0012341200000000, -0.0003979400000000, -0.0004978200000000 ] - [ 0.0000481100000000, 0.0002172300000000, -0.0003055500000000 ] - [ -0.0001796300000000, 0.0002554600000000, -0.0002467700000000 ] - [ 0.0152473900000000, -0.0923090600000000, 0.1022549900000000 ] - [ 0.0008621300000000, -0.0006131100000000, -0.0001962600000000 ] - [ 0.0003377100000000, 0.0008654500000000, -0.0006546900000000 ] - [ 0.0004105500000000, 0.0005541200000000, -0.0005373500000000 ] - [ 0.0007633000000000, -0.0001839100000000, -0.0007721000000000 ] - [ -0.0000380400000000, -0.0001210700000000, -0.0005850000000000 ] - [ 0.0007625100000000, -0.0001845600000000, -0.0007682700000000 ] - [ -0.0000402000000000, -0.0001239800000000, -0.0005867900000000 ] - [ -0.0001273400000000, 0.0007915400000000, 0.0005604600000000 ] - [ -0.0000270200000000, 0.0003052500000000, 0.0002640400000000 ] - [ -0.0005724800000000, 0.0107162200000000, 0.0033854900000000 ] - [ -0.0000296400000000, -0.0003379300000000, 0.0001008700000000 ] - [ 0.0017471200000000, -0.0009236100000000, -0.0007716100000000 ] - [ -0.0014094600000000, -0.0002410100000000, -0.0001737800000000 ] - [ -0.0001294500000000, 0.0003782400000000, 0.0000163600000000 ] - [ -0.0003527800000000, 0.0004118800000000, 0.0000761200000000 ] - [ -0.0063380000000000, -0.0007700400000000, 0.0048253500000000 ] - [ 0.0021589600000000, -0.0010000800000000, 0.0000008200000000 ] - [ 0.0006196100000000, -0.0001291800000000, 0.0002328900000000 ] - [ 0.0006035100000000, -0.0003673800000000, 0.0001533000000000 ] - [ 0.0009040000000000, 0.0007468000000000, -0.0000002300000000 ] - [ 0.0003269100000000, 0.0012117900000000, 0.0000146800000000 ] - [ 0.0016814900000000, 0.0009557600000000, -0.0006924700000000 ] - [ -0.0007921200000000, -0.0003422800000000, 0.0000331900000000 ] - [ -0.0025597100000000, 0.0072658900000000, -0.0161591000000000 ] - [ -0.0004692500000000, -0.0004945900000000, -0.0011524500000000 ] - [ -0.0006223700000000, 0.0006553800000000, 0.0000956400000000 ] - [ -0.0005755700000000, 0.0005597300000000, -0.0000807200000000 ] - [ -0.0000847800000000, 0.0004498000000000, -0.0004301900000000 ] - [ -0.0008938700000000, 0.0000902700000000, -0.0002272200000000 ] - [ 0.0002304700000000, -0.0008945400000000, 0.0001068700000000 ] - [ -0.0006274300000000, -0.0001086200000000, 0.0004814800000000 ] - [ -0.0003938300000000, 0.0109009200000000, 0.0031038600000000 ] - [ 0.0001447900000000, -0.0001813700000000, -0.0002188700000000 ] - [ 0.0000432700000000, 0.0009409500000000, 0.0002344100000000 ] - [ 0.0001464700000000, 0.0004622500000000, -0.0000576700000000 ] - [ 0.0001931400000000, 0.0001982100000000, -0.0006449100000000 ] - [ -0.0022926800000000, -0.0011037900000000, 0.0000815100000000 ] - [ -0.0005930100000000, -0.0000140900000000, 0.0000491700000000 ] - [ -0.0011630100000000, 0.0004498500000000, 0.0000645900000000 ] - [ 0.0013016900000000, -0.0006249600000000, 0.0000506400000000 ] - [ 0.0004483300000000, 0.0001624600000000, 0.0004080800000000 ] - [ 0.0009919400000000, 0.0007218800000000, -0.0004951300000000 ] - [ 0.0001799000000000, 0.0003607100000000, -0.0002863900000000 ] - [ -0.0078447700000000, -0.0000033300000000, 0.0048993400000000 ] - [ 0.0006644400000000, -0.0002403300000000, 0.0000560200000000 ] - [ -0.0008720900000000, 0.0006310700000000, 0.0002824100000000 ] - [ -0.0008892800000000, 0.0003932500000000, 0.0002038000000000 ] - [ 0.0001333000000000, 0.0019653000000000, -0.0019819200000000 ] - [ -0.0003791700000000, 0.0000287900000000, 0.0000655800000000 ] - [ -0.0003635000000000, -0.0005513300000000, -0.0002218100000000 ] - [ -0.0003186300000000, -0.0002830500000000, -0.0002740900000000 ] - [ 0.0002355400000000, -0.0001845700000000, 0.0001541500000000 ] - [ 0.0002000900000000, -0.0002848800000000, 0.0001948600000000 ] - [ -0.0016779800000000, -0.0012244900000000, 0.0010117900000000 ] - [ 0.0008727400000000, -0.0000572300000000, 0.0004550100000000 ] - [ 0.0001481400000000, 0.0005801000000000, -0.0026177900000000 ] - [ -0.0008619400000000, 0.0009271600000000, -0.0006954800000000 ] - [ 0.0000316900000000, -0.0002324800000000, -0.0002909500000000 ] - [ -0.0000843200000000, -0.0001720600000000, -0.0002659600000000 ] - [ -0.0000827100000000, -0.0003683900000000, -0.0000952300000000 ] - [ 0.0000575700000000, -0.0000880500000000, -0.0002755400000000 ] - [ -0.0001684900000000, 0.0003290400000000, 0.0002264100000000 ] - [ 0.0008379300000000, -0.0012580300000000, 0.0006179100000000 ] - [ -0.0013891700000000, 0.0009484100000000, 0.0018562300000000 ] - [ 0.0015466900000000, 0.0012517800000000, 0.0011234100000000 ] - [ -0.0000826100000000, 0.0000083900000000, 0.0000572300000000 ] - [ -0.0000558900000000, -0.0000371000000000, 0.0000530900000000 ] - [ 0.0005806700000000, -0.0008309200000000, -0.0005391700000000 ] - [ -0.0003427000000000, -0.0003866500000000, 0.0000200600000000 ] - [ -0.0004377400000000, -0.0010626700000000, -0.0005581100000000 ] - [ 0.0000321900000000, -0.0003658300000000, -0.0000087700000000 ] - [ -0.0013366000000000, 0.0003585300000000, 0.0017003100000000 ] - [ 0.0016036400000000, 0.0006634900000000, 0.0009738600000000 ] - [ -0.0000310900000000, -0.0005812000000000, -0.0000938100000000 ] - [ -0.0000044600000000, -0.0006267600000000, -0.0000983400000000 ] - [ -0.0003858200000000, -0.0004698900000000, -0.0007081300000000 ] - [ 0.0000840500000000, 0.0002237600000000, -0.0001597400000000 ] - [ 0.0006336200000000, -0.0002433100000000, -0.0006915600000000 ] - [ -0.0002918300000000, 0.0002027300000000, -0.0001304400000000 ] - [ 0.0001598700000000, 0.0002120300000000, -0.0020179600000000 ] - [ -0.0008416000000000, 0.0005658200000000, -0.0000865600000000 ] - [ 0.0000582600000000, -0.0005968400000000, 0.0003137800000000 ] - [ -0.0000581600000000, -0.0005362300000000, 0.0003387600000000 ] - [ -0.0001425300000000, 0.0006917300000000, 0.0008303700000000 ] - [ 0.0008664400000000, -0.0008974500000000, 0.0012214900000000 ] - [ -0.0000563000000000, -0.0000038500000000, 0.0005092800000000 ] - [ 0.0000843700000000, 0.0002760300000000, 0.0003291600000000 ] - [ 0.0007331300000000, 0.0021342500000000, -0.0015872900000000 ] - [ 0.0002093900000000, 0.0002239800000000, 0.0005008200000000 ] - [ 0.0002273800000000, -0.0003563700000000, 0.0002159200000000 ] - [ 0.0002722900000000, -0.0000880300000000, 0.0001641200000000 ] - [ -0.0022716100000000, -0.0010339100000000, 0.0005711700000000 ] - [ 0.0002798500000000, 0.0001378500000000, 0.0000156400000000 ] - [ -0.0003553500000000, 0.0000109600000000, -0.0002838800000000 ] - [ -0.0003910100000000, -0.0000900200000000, -0.0002427700000000 ] - [ -0.0015542600000000, 0.0010348200000000, 0.0004216900000000 ] - [ 0.0015974900000000, 0.0005296500000000, -0.0003241200000000 ] - [ -0.0001440500000000, -0.0001747600000000, 0.0006321200000000 ] - [ 0.0006372100000000, -0.0001126800000000, 0.0002550900000000 ] - [ 0.0012435400000000, 0.0274223800000000, -0.0395081500000000 ] - [ -0.0010533200000000, 0.0009618700000000, 0.0006665100000000 ] - [ -0.0000087100000000, -0.0008863800000000, 0.0000199400000000 ] - [ -0.0000549500000000, -0.0004594000000000, 0.0001686500000000 ] - [ -0.0003752600000000, -0.0004957000000000, 0.0007323100000000 ] - [ 0.0004227300000000, -0.0004235900000000, 0.0003679400000000 ] - [ -0.0017682500000000, 0.0007283100000000, 0.0005327600000000 ] - [ 0.0013596200000000, 0.0002145400000000, -0.0002229200000000 ] - [ 0.0009847100000000, 0.0282937700000000, -0.0404443400000000 ] - [ -0.0008312400000000, 0.0006488700000000, 0.0005455200000000 ] - [ 0.0002194800000000, -0.0012031200000000, -0.0000877600000000 ] - [ 0.0001746800000000, -0.0007748100000000, 0.0000561900000000 ]- atom: 17 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0002804000000000, 0.0000681300000000, -0.0001457200000000 ] - [ 0.0005798400000000, 0.0001387300000000, -0.0000616000000000 ] - [ 0.0001007800000000, 0.0001663100000000, -0.0006864000000000 ] - [ 0.0007587200000000, -0.0001969600000000, 0.0001448900000000 ] - [ -0.0001808100000000, 0.0005244300000000, -0.0009092800000000 ] - [ 0.0002555900000000, -0.0004384000000000, 0.0005046600000000 ] - [ -0.0001814500000000, -0.0001816800000000, -0.0001997400000000 ] - [ 0.0002563800000000, 0.0001552300000000, 0.0002676600000000 ] - [ 0.0001842300000000, 0.0003873200000000, -0.0005380600000000 ] - [ 0.0005645800000000, 0.0003241000000000, -0.0003979100000000 ] - [ -0.0059987600000000, 0.0046884200000000, -0.0041533600000000 ] - [ 0.0017153600000000, -0.0006840500000000, 0.0003799200000000 ] - [ 0.0004460100000000, -0.0004104400000000, -0.0026178900000000 ] - [ 0.0008150300000000, 0.0004666400000000, 0.0014339900000000 ] - [ 0.0004606100000000, 0.0000160200000000, -0.0003537500000000 ] - [ 0.0005471200000000, 0.0002807300000000, -0.0000162100000000 ] - [ -0.0982608000000000, -0.0809644800000000, -0.0359958600000000 ] - [ 0.0019386100000000, 0.0000738500000000, 0.0003814300000000 ] - [ -0.0002021500000000, 0.0002158400000000, 0.0002442800000000 ] - [ -0.0000287200000000, 0.0001893600000000, 0.0002597400000000 ] - [ -0.0001929900000000, 0.0002429400000000, 0.0001356100000000 ] - [ -0.0001585300000000, 0.0001912000000000, 0.0002705600000000 ] - [ 0.0002192800000000, -0.0002629300000000, -0.0018739200000000 ] - [ 0.0005079900000000, -0.0006103400000000, 0.0021533300000000 ] - [ 0.0005129600000000, -0.0005075100000000, 0.0001447700000000 ] - [ 0.0007414000000000, -0.0004016500000000, 0.0001429200000000 ] - [ 0.0166139600000000, 0.0112155700000000, 0.0057213100000000 ] - [ 0.0049158300000000, -0.0017023300000000, -0.0004216600000000 ] - [ 0.0007400500000000, 0.0005075800000000, -0.0005755500000000 ] - [ 0.0002818700000000, 0.0004233100000000, 0.0017130500000000 ] - [ 0.0006371700000000, 0.0007627600000000, 0.0001360400000000 ] - [ 0.0006937700000000, 0.0007690400000000, 0.0001912500000000 ] - [ -0.0007127600000000, 0.0004712100000000, -0.0000564100000000 ] - [ -0.0004839200000000, 0.0003827600000000, -0.0000360800000000 ] - [ -0.0083419900000000, 0.0009340000000000, 0.0017073600000000 ] - [ 0.0009953700000000, -0.0000323900000000, -0.0004712800000000 ] - [ 0.0005811500000000, -0.0005333400000000, -0.0028909900000000 ] - [ 0.0007322100000000, 0.0001122300000000, 0.0028508600000000 ] - [ -0.0005514200000000, -0.0000694100000000, -0.0001813600000000 ] - [ -0.0006027900000000, -0.0001548400000000, 0.0000233700000000 ] - [ -0.0019815700000000, -0.0003456500000000, -0.0006255200000000 ] - [ 0.0006319400000000, 0.0004406700000000, 0.0000416300000000 ] - [ -0.0004160600000000, 0.0008356000000000, -0.0006192600000000 ] - [ 0.0003577300000000, 0.0001186900000000, 0.0000555600000000 ] - [ -0.0000354500000000, 0.0001594900000000, -0.0003047500000000 ] - [ -0.0011635100000000, -0.0006446100000000, 0.0008505800000000 ] - [ -0.0008009700000000, -0.0001534200000000, 0.0001345400000000 ] - [ -0.0008453100000000, 0.0001996500000000, 0.0004210000000000 ] - [ 0.0020195100000000, 0.0024824100000000, -0.0021224100000000 ] - [ 0.0015566000000000, -0.0012762500000000, 0.0015421500000000 ] - [ 0.0003705200000000, 0.0000270800000000, -0.0001942900000000 ] - [ 0.0006607500000000, 0.0003922000000000, 0.0000391800000000 ] - [ -0.0014051300000000, 0.0012284600000000, 0.0004986800000000 ] - [ -0.0005716900000000, 0.0000507200000000, 0.0000675000000000 ] - [ -0.0025796600000000, -0.0008652400000000, 0.0001066000000000 ] - [ 0.0000426000000000, 0.0004683600000000, -0.0001189500000000 ] - [ 0.0002654800000000, -0.0005452100000000, -0.0000904400000000 ] - [ -0.0007226900000000, -0.0000607700000000, -0.0002963200000000 ] - [ 0.0001575000000000, -0.0003003900000000, -0.0002891600000000 ] - [ -0.0007694400000000, -0.0001603800000000, -0.0002818100000000 ] - [ 0.0032320000000000, -0.0000917700000000, -0.0004516500000000 ] - [ -0.0015333700000000, 0.0007396300000000, -0.0011064200000000 ] - [ 0.0002533600000000, -0.0002093600000000, 0.0001978400000000 ] - [ 0.0001846000000000, -0.0002208400000000, 0.0001882800000000 ] - [ -0.0000014000000000, -0.0001168400000000, -0.0002761300000000 ] - [ -0.0000359900000000, 0.0000188800000000, -0.0002340700000000 ] - [ 0.0034988400000000, -0.0004475600000000, 0.0007145100000000 ] - [ -0.0018463200000000, -0.0000329600000000, 0.0011541100000000 ] - [ -0.0005571100000000, 0.0000151600000000, 0.0001129700000000 ] - [ 0.0008136700000000, 0.0005207000000000, -0.0020115500000000 ] - [ -0.0000303100000000, -0.0001855000000000, -0.0002320800000000 ] - [ 0.0000417700000000, -0.0002263300000000, -0.0002709000000000 ] - [ -0.0001358500000000, 0.0000345300000000, 0.0000984200000000 ] - [ -0.0000074400000000, 0.0002658200000000, -0.0000249700000000 ] - [ -0.0001893700000000, 0.0005874500000000, 0.0004499600000000 ] - [ -0.0001093400000000, -0.0001485100000000, -0.0012677700000000 ] - [ 0.0042032200000000, 0.0029855000000000, 0.0018300400000000 ] - [ -0.0010375700000000, 0.0000776500000000, 0.0002843300000000 ] - [ 0.0000600500000000, -0.0003431800000000, 0.0000500400000000 ] - [ -0.0001651200000000, -0.0004296400000000, 0.0000729100000000 ] - [ 0.0000526600000000, -0.0004925200000000, -0.0000450700000000 ] - [ -0.0000807900000000, -0.0004352700000000, -0.0002064500000000 ] - [ 0.0003089100000000, 0.0000021500000000, 0.0000803100000000 ] - [ -0.0000667800000000, -0.0000157100000000, -0.0006792000000000 ] - [ 0.0091699600000000, -0.0033223300000000, -0.0002977400000000 ] - [ -0.0016161700000000, -0.0002300900000000, -0.0002610900000000 ] - [ 0.0000108500000000, 0.0000413700000000, -0.0000919500000000 ] - [ -0.0000371600000000, 0.0002798900000000, -0.0001257000000000 ] - [ 0.0000708200000000, 0.0002403300000000, 0.0003955200000000 ] - [ -0.0002630500000000, -0.0007620900000000, 0.0003068500000000 ] - [ -0.0001483100000000, -0.0019452300000000, 0.0006648700000000 ] - [ -0.0002148800000000, 0.0005765800000000, 0.0004890600000000 ] - [ 0.0002114400000000, 0.0003033200000000, 0.0004950200000000 ] - [ 0.0000059300000000, 0.0001004500000000, 0.0000662300000000 ] - [ 0.0000663600000000, 0.0001804800000000, 0.0003157300000000 ] - [ 0.0000188900000000, 0.0002413500000000, 0.0003459900000000 ] - [ 0.0002582900000000, -0.0000427200000000, 0.0001936400000000 ] - [ 0.0002270000000000, -0.0000037700000000, 0.0001500100000000 ] - [ 0.0023041400000000, 0.0002918200000000, 0.0015619300000000 ] - [ -0.0006394300000000, 0.0002746600000000, -0.0002016100000000 ] - [ -0.0003307500000000, 0.0003879700000000, 0.0002274900000000 ] - [ -0.0006492800000000, -0.0002574300000000, -0.0006653000000000 ] - [ -0.0004013300000000, -0.0000495900000000, -0.0000200300000000 ] - [ -0.0004223000000000, 0.0001898600000000, -0.0004415800000000 ] - [ -0.0006241700000000, -0.0005753500000000, 0.0025664200000000 ] - [ 0.0002087000000000, 0.0006938100000000, -0.0020437700000000 ] - [ 0.0002241500000000, 0.0002507000000000, 0.0000766200000000 ] - [ 0.0000805200000000, -0.0002149800000000, -0.0003323600000000 ] - [ 0.0001342600000000, -0.0003378100000000, 0.0001276300000000 ] - [ -0.0001924800000000, -0.0002248200000000, 0.0001071400000000 ] - [ 0.0720488900000000, 0.0658937700000000, 0.0310684300000000 ] - [ -0.0039767200000000, 0.0005060800000000, -0.0000852500000000 ] - [ -0.0001634300000000, 0.0001543900000000, 0.0035394800000000 ] - [ -0.0005232300000000, 0.0002530800000000, -0.0036355500000000 ] - [ -0.0000211900000000, -0.0002808400000000, 0.0002142600000000 ] - [ -0.0000788400000000, -0.0003337800000000, -0.0001116300000000 ] - [ 0.0013197100000000, -0.0006465600000000, 0.0000743500000000 ] - [ -0.0002142500000000, -0.0005857600000000, -0.0000528700000000 ] - [ 0.0021707000000000, -0.0015910700000000, 0.0023101800000000 ] - [ -0.0008163100000000, 0.0000844800000000, -0.0003963200000000 ]- atom: 17 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0007001700000000, -0.0000812900000000, -0.0000872600000000 ] - [ 0.0003995800000000, -0.0001511000000000, -0.0001718700000000 ] - [ 0.0008800300000000, -0.0001790600000000, 0.0004706200000000 ] - [ 0.0002221100000000, 0.0001858600000000, -0.0003869500000000 ] - [ 0.0002461700000000, -0.0008308200000000, 0.0007153800000000 ] - [ -0.0001970800000000, 0.0001381300000000, -0.0007019600000000 ] - [ 0.0002462000000000, -0.0001166200000000, 0.0000007400000000 ] - [ -0.0001983900000000, -0.0004532200000000, -0.0004630700000000 ] - [ 0.0007229200000000, -0.0001565700000000, -0.0001340500000000 ] - [ 0.0003401200000000, -0.0000870600000000, -0.0002806500000000 ] - [ 0.0068810700000000, -0.0045440900000000, 0.0035161100000000 ] - [ -0.0008104200000000, 0.0009224900000000, -0.0010555600000000 ] - [ 0.0004624200000000, 0.0001789200000000, 0.0019528000000000 ] - [ 0.0000875200000000, -0.0007089700000000, -0.0021160600000000 ] - [ 0.0004451000000000, -0.0002557800000000, -0.0003236300000000 ] - [ 0.0003586200000000, -0.0005163200000000, -0.0006582200000000 ] - [ 0.0974420800000000, 0.0789462200000000, 0.0354820200000000 ] - [ -0.0022230600000000, -0.0000805800000000, 0.0000703300000000 ] - [ -0.0000848100000000, -0.0002350800000000, 0.0002051700000000 ] - [ -0.0002589500000000, -0.0002071200000000, 0.0001907100000000 ] - [ -0.0000895200000000, -0.0002374000000000, 0.0003184000000000 ] - [ -0.0001287100000000, -0.0001779700000000, 0.0001803900000000 ] - [ -0.0005086100000000, 0.0002819100000000, 0.0023345100000000 ] - [ -0.0008008900000000, 0.0006311000000000, -0.0017104000000000 ] - [ 0.0007770900000000, -0.0007242500000000, 0.0001662300000000 ] - [ 0.0005509000000000, -0.0008293300000000, 0.0001684500000000 ] - [ -0.0150739600000000, -0.0122602200000000, -0.0053219000000000 ] - [ -0.0036461800000000, 0.0004817300000000, 0.0007375600000000 ] - [ 0.0005488200000000, 0.0007250900000000, 0.0008812000000000 ] - [ 0.0010202300000000, 0.0008086600000000, -0.0013996400000000 ] - [ 0.0006441500000000, 0.0004637200000000, 0.0001742200000000 ] - [ 0.0005989600000000, 0.0004578000000000, 0.0001201400000000 ] - [ -0.0004629300000000, 0.0000581100000000, -0.0000651100000000 ] - [ -0.0006922400000000, 0.0001460700000000, -0.0000855500000000 ] - [ 0.0071322000000000, -0.0004736200000000, -0.0019020400000000 ] - [ -0.0021691200000000, 0.0005648100000000, 0.0003470600000000 ] - [ -0.0017576400000000, 0.0000060800000000, 0.0027598300000000 ] - [ -0.0019110700000000, -0.0006481400000000, -0.0029794900000000 ] - [ -0.0006226300000000, -0.0004614800000000, 0.0000525100000000 ] - [ -0.0005720000000000, -0.0003779300000000, -0.0001451700000000 ] - [ 0.0020397400000000, 0.0006432900000000, 0.0004273300000000 ] - [ -0.0005718900000000, -0.0001449400000000, -0.0002401600000000 ] - [ 0.0004727800000000, -0.0005603300000000, 0.0004272200000000 ] - [ -0.0002960800000000, 0.0001825700000000, -0.0002553200000000 ] - [ -0.0016751000000000, -0.0004480200000000, 0.0007180000000000 ] - [ -0.0005433100000000, 0.0003613000000000, -0.0004388700000000 ] - [ -0.0008983500000000, -0.0001324900000000, 0.0002790000000000 ] - [ -0.0008647400000000, -0.0004896300000000, -0.0000112000000000 ] - [ -0.0010344400000000, -0.0024764600000000, 0.0018870500000000 ] - [ -0.0005755600000000, 0.0012823200000000, -0.0017664800000000 ] - [ 0.0006112400000000, -0.0000191600000000, -0.0000373300000000 ] - [ 0.0003179400000000, -0.0003803700000000, -0.0002740600000000 ] - [ -0.0002961700000000, -0.0009488000000000, -0.0000872300000000 ] - [ -0.0011335200000000, 0.0002321700000000, 0.0003432000000000 ] - [ 0.0008941100000000, 0.0011563800000000, 0.0003086500000000 ] - [ -0.0017518000000000, -0.0001782100000000, 0.0005271300000000 ] - [ -0.0009928200000000, 0.0003446200000000, -0.0004225400000000 ] - [ -0.0000029500000000, -0.0001363300000000, -0.0002164700000000 ] - [ -0.0008875500000000, 0.0001119800000000, -0.0002223600000000 ] - [ 0.0000436700000000, -0.0000419600000000, -0.0002318800000000 ] - [ -0.0029308300000000, -0.0000967400000000, 0.0009963100000000 ] - [ 0.0019932700000000, -0.0009271800000000, 0.0014684800000000 ] - [ 0.0002081800000000, 0.0000213600000000, 0.0001686300000000 ] - [ 0.0002773800000000, 0.0000324500000000, 0.0001780700000000 ] - [ -0.0000100100000000, 0.0002912500000000, -0.0002317600000000 ] - [ 0.0000250600000000, 0.0001552700000000, -0.0002736900000000 ] - [ -0.0037038800000000, 0.0007537300000000, -0.0013618100000000 ] - [ 0.0018341300000000, 0.0002028400000000, -0.0016560200000000 ] - [ 0.0005476400000000, -0.0001881200000000, -0.0006253500000000 ] - [ -0.0008101200000000, -0.0006992800000000, 0.0015126200000000 ] - [ 0.0000190400000000, 0.0000141400000000, -0.0002765900000000 ] - [ -0.0000532300000000, 0.0000552800000000, -0.0002370100000000 ] - [ 0.0000105900000000, 0.0004916700000000, -0.0000194100000000 ] - [ -0.0001180500000000, 0.0002597600000000, 0.0001047300000000 ] - [ 0.0000626200000000, -0.0000664800000000, -0.0003747100000000 ] - [ -0.0000053800000000, 0.0006726600000000, 0.0013491700000000 ] - [ -0.0043799400000000, -0.0036545800000000, -0.0018213700000000 ] - [ 0.0009096600000000, -0.0006006700000000, -0.0002031400000000 ] - [ -0.0001873600000000, -0.0001782400000000, 0.0000289100000000 ] - [ 0.0000402600000000, -0.0000947000000000, 0.0000066500000000 ] - [ -0.0000836000000000, -0.0001614400000000, -0.0001790800000000 ] - [ 0.0000497700000000, -0.0002190000000000, -0.0000177000000000 ] - [ -0.0003475200000000, -0.0006596100000000, -0.0002948700000000 ] - [ 0.0000340000000000, -0.0006436000000000, 0.0004532700000000 ] - [ -0.0088830000000000, 0.0036875700000000, 0.0000393700000000 ] - [ 0.0015929400000000, 0.0008913600000000, 0.0000378500000000 ] - [ -0.0000401300000000, 0.0006171600000000, -0.0001314800000000 ] - [ 0.0000054600000000, 0.0003768100000000, -0.0000987100000000 ] - [ -0.0000240800000000, -0.0008013000000000, 0.0003037600000000 ] - [ 0.0003097000000000, 0.0001990300000000, 0.0003924100000000 ] - [ 0.0002041500000000, 0.0013779700000000, 0.0000365600000000 ] - [ 0.0002587500000000, -0.0011482400000000, 0.0002091300000000 ] - [ -0.0001663800000000, 0.0002607500000000, 0.0002059100000000 ] - [ 0.0000398000000000, 0.0004648900000000, 0.0006331900000000 ] - [ -0.0000201700000000, 0.0003869200000000, 0.0003858500000000 ] - [ 0.0000263100000000, 0.0003248500000000, 0.0003516700000000 ] - [ 0.0002031700000000, 0.0002342300000000, 0.0001727100000000 ] - [ 0.0002344900000000, 0.0001948100000000, 0.0002166500000000 ] - [ -0.0018245300000000, -0.0000983500000000, -0.0012256800000000 ] - [ 0.0011048500000000, -0.0000860800000000, 0.0005733400000000 ] - [ -0.0003943700000000, -0.0001881300000000, -0.0007390300000000 ] - [ -0.0000754600000000, 0.0004580600000000, 0.0001538100000000 ] - [ -0.0003217900000000, 0.0002493800000000, -0.0004937500000000 ] - [ -0.0003038900000000, 0.0000086300000000, -0.0000700400000000 ] - [ 0.0010065600000000, 0.0011954500000000, -0.0025891100000000 ] - [ 0.0001971900000000, -0.0000733000000000, 0.0020173200000000 ] - [ 0.0001608100000000, 0.0003729300000000, -0.0000915500000000 ] - [ 0.0003091100000000, 0.0008326200000000, 0.0003144400000000 ] - [ -0.0002056900000000, 0.0003787700000000, 0.0000497000000000 ] - [ 0.0001211400000000, 0.0002606600000000, 0.0000729700000000 ] - [ -0.0716909000000000, -0.0636023100000000, -0.0299028700000000 ] - [ 0.0039151600000000, -0.0004725300000000, 0.0002591400000000 ] - [ 0.0000873500000000, -0.0001943300000000, -0.0033660500000000 ] - [ 0.0004403800000000, -0.0002854000000000, 0.0038270700000000 ] - [ -0.0000477200000000, 0.0002508200000000, -0.0000376900000000 ] - [ 0.0000049900000000, 0.0003024100000000, 0.0002886200000000 ] - [ -0.0009344400000000, 0.0000317000000000, -0.0000911600000000 ] - [ 0.0006048400000000, -0.0000301000000000, 0.0000318800000000 ] - [ -0.0018190400000000, 0.0010081500000000, -0.0023806300000000 ] - [ 0.0011892900000000, -0.0007072600000000, 0.0003806300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002968200000000, 0.0013037100000000, 0.0009474300000000 ] - [ 0.0005078600000000, 0.0005500100000000, -0.0001361500000000 ] - [ 0.0007880300000000, -0.0000278900000000, -0.0033297900000000 ] - [ 0.0005170900000000, -0.0001647500000000, 0.0005289900000000 ] - [ 0.0000602900000000, 0.0005756500000000, -0.0009411300000000 ] - [ -0.0002814500000000, 0.0004047400000000, -0.0003636100000000 ] - [ -0.0006518500000000, 0.0005726300000000, 0.0001033600000000 ] - [ 0.0003122100000000, 0.0003977100000000, -0.0001761000000000 ] - [ 0.0000581800000000, 0.0026058300000000, -0.0015616400000000 ] - [ 0.0003410700000000, 0.0011236400000000, -0.0007832800000000 ] - [ 0.0019982600000000, 0.0240125200000000, -0.0123836700000000 ] - [ 0.0007368300000000, -0.0008705100000000, 0.0002567400000000 ] - [ 0.0003103300000000, -0.0015576400000000, -0.0015504900000000 ] - [ 0.0001814300000000, -0.0014620300000000, -0.0008234000000000 ] - [ 0.0006442200000000, 0.0011702100000000, 0.0002355700000000 ] - [ 0.0007126500000000, 0.0012162400000000, 0.0003228900000000 ] - [ -0.0822694200000000, -0.1860930800000000, -0.0646752800000000 ] - [ -0.0000612800000000, -0.0014237500000000, -0.0000459400000000 ] - [ 0.0000911700000000, 0.0016104000000000, 0.0004346500000000 ] - [ 0.0000609500000000, 0.0009553200000000, 0.0003916600000000 ] - [ -0.0003782400000000, 0.0011235500000000, 0.0000430800000000 ] - [ -0.0003265300000000, 0.0011408300000000, 0.0000580600000000 ] - [ 0.0001351400000000, -0.0020165200000000, 0.0003377400000000 ] - [ 0.0004823500000000, -0.0023659200000000, 0.0011127400000000 ] - [ 0.0003657000000000, 0.0004208700000000, 0.0000816200000000 ] - [ 0.0006567300000000, 0.0001831600000000, 0.0001111600000000 ] - [ 0.0102633600000000, -0.0039839900000000, 0.0017633000000000 ] - [ 0.0004491200000000, -0.0020374400000000, 0.0005259400000000 ] - [ 0.0000648300000000, -0.0008787500000000, 0.0003060200000000 ] - [ 0.0008254500000000, -0.0011835500000000, 0.0012589300000000 ] - [ 0.0007827500000000, 0.0013658900000000, 0.0001481300000000 ] - [ 0.0007281800000000, 0.0015543500000000, 0.0001449600000000 ] - [ -0.0006396600000000, 0.0013151400000000, -0.0001773900000000 ] - [ -0.0005717700000000, 0.0009917400000000, 0.0000678600000000 ] - [ 0.0013958300000000, 0.0053897800000000, 0.0143087000000000 ] - [ -0.0003853100000000, -0.0005084800000000, -0.0001819100000000 ] - [ -0.0017938400000000, -0.0020258300000000, 0.0014490200000000 ] - [ 0.0008408100000000, -0.0024464100000000, 0.0016477500000000 ] - [ -0.0004026800000000, 0.0006755700000000, -0.0002500900000000 ] - [ -0.0006933000000000, 0.0006458600000000, -0.0001757600000000 ] - [ -0.0004634500000000, 0.0041940100000000, 0.0014008300000000 ] - [ 0.0003186700000000, 0.0004146100000000, 0.0000045800000000 ] - [ 0.0007420600000000, 0.0046945100000000, -0.0011725100000000 ] - [ -0.0000105700000000, 0.0004457600000000, 0.0000800200000000 ] - [ -0.0000206200000000, -0.0000765100000000, -0.0003152200000000 ] - [ -0.0019141400000000, 0.0004261700000000, -0.0010924200000000 ] - [ -0.0009575300000000, 0.0002882700000000, 0.0000764000000000 ] - [ -0.0002685700000000, 0.0008756000000000, 0.0006287200000000 ] - [ 0.0033813000000000, 0.0014322200000000, -0.0027595000000000 ] - [ -0.0010665300000000, 0.0001382100000000, -0.0014200700000000 ] - [ 0.0000761900000000, 0.0008631400000000, 0.0000364700000000 ] - [ 0.0008581800000000, 0.0007968700000000, -0.0000809100000000 ] - [ -0.0004284100000000, 0.0023427700000000, 0.0007528700000000 ] - [ -0.0012401500000000, 0.0005848600000000, 0.0002274700000000 ] - [ -0.0032206300000000, 0.0014637800000000, -0.0010414400000000 ] - [ -0.0001522000000000, 0.0001886300000000, 0.0001541400000000 ] - [ -0.0004089000000000, -0.0019236800000000, 0.0005044900000000 ] - [ -0.0002914200000000, -0.0003866800000000, -0.0003590900000000 ] - [ 0.0002919200000000, -0.0018998100000000, -0.0010451500000000 ] - [ -0.0005488300000000, -0.0001273000000000, -0.0002171500000000 ] - [ -0.0000071800000000, 0.0037936700000000, 0.0009598700000000 ] - [ -0.0000561300000000, 0.0013840600000000, -0.0001485500000000 ] - [ 0.0001679300000000, -0.0007477200000000, 0.0002399600000000 ] - [ 0.0001679100000000, -0.0006929200000000, 0.0002402700000000 ] - [ -0.0001443100000000, -0.0007482400000000, -0.0002831300000000 ] - [ 0.0000072900000000, -0.0005040400000000, -0.0003107400000000 ] - [ -0.0007373400000000, 0.0052481000000000, -0.0012442100000000 ] - [ -0.0006224900000000, 0.0011250500000000, 0.0003657600000000 ] - [ -0.0001791900000000, 0.0007643200000000, -0.0003413800000000 ] - [ 0.0005595300000000, 0.0024637600000000, 0.0010713100000000 ] - [ 0.0000349900000000, -0.0006897200000000, -0.0001903800000000 ] - [ 0.0000637600000000, -0.0007504500000000, -0.0002308900000000 ] - [ -0.0000502600000000, -0.0003635800000000, -0.0000425200000000 ] - [ -0.0000439500000000, -0.0003912600000000, 0.0001446700000000 ] - [ -0.0000722600000000, 0.0008469400000000, 0.0003276100000000 ] - [ -0.0009079900000000, 0.0002262000000000, -0.0010019700000000 ] - [ 0.0033672100000000, 0.0082422100000000, 0.0030401600000000 ] - [ 0.0006122200000000, 0.0002256800000000, -0.0000755700000000 ] - [ 0.0002621700000000, -0.0013817700000000, -0.0000092500000000 ] - [ -0.0002099700000000, -0.0007982500000000, 0.0000475100000000 ] - [ -0.0000123400000000, -0.0009599500000000, -0.0000143700000000 ] - [ -0.0000936400000000, -0.0010251600000000, -0.0002772300000000 ] - [ 0.0008092300000000, 0.0001972600000000, -0.0012298400000000 ] - [ 0.0000377300000000, 0.0005087600000000, 0.0002180800000000 ] - [ -0.0037798100000000, 0.0060898600000000, 0.0004220200000000 ] - [ -0.0012192600000000, 0.0010521200000000, -0.0001389800000000 ] - [ -0.0002163700000000, -0.0007690700000000, -0.0002555900000000 ] - [ 0.0001204700000000, -0.0002640400000000, -0.0001199400000000 ] - [ 0.0004869600000000, -0.0012168500000000, 0.0004583000000000 ] - [ -0.0005237800000000, -0.0009903300000000, 0.0004049600000000 ] - [ -0.0014938700000000, -0.0013345300000000, 0.0002485300000000 ] - [ 0.0008080000000000, -0.0003549500000000, 0.0001612600000000 ] - [ 0.0000217800000000, 0.0003256000000000, 0.0007923300000000 ] - [ -0.0000356800000000, 0.0003001800000000, -0.0002749800000000 ] - [ 0.0000695800000000, -0.0002497000000000, 0.0001276200000000 ] - [ 0.0001477800000000, -0.0002814300000000, 0.0007562200000000 ] - [ 0.0003324800000000, -0.0007250000000000, 0.0001095800000000 ] - [ 0.0002578500000000, -0.0004419200000000, 0.0001173300000000 ] - [ 0.0000952100000000, 0.0038640800000000, 0.0007570000000000 ] - [ 0.0001398600000000, 0.0010302500000000, 0.0001702500000000 ] - [ 0.0001123000000000, -0.0001193900000000, -0.0007005200000000 ] - [ -0.0008418200000000, -0.0000796900000000, -0.0005256300000000 ] - [ -0.0008824300000000, -0.0003776900000000, 0.0001368800000000 ] - [ -0.0001046500000000, -0.0003143700000000, -0.0002000400000000 ] - [ -0.0007203200000000, 0.0000686100000000, 0.0029611900000000 ] - [ 0.0013033000000000, 0.0006675300000000, 0.0012461800000000 ] - [ 0.0005118700000000, -0.0009363200000000, -0.0003107500000000 ] - [ -0.0004183100000000, -0.0009733000000000, -0.0003371400000000 ] - [ 0.0001928500000000, -0.0022405500000000, 0.0006185400000000 ] - [ -0.0001262600000000, -0.0012646900000000, 0.0001146400000000 ] - [ 0.0681583500000000, 0.1358753400000000, 0.0517123900000000 ] - [ -0.0001369000000000, 0.0014489100000000, 0.0001368800000000 ] - [ 0.0004852600000000, 0.0026317400000000, -0.0003870000000000 ] - [ -0.0005525000000000, 0.0027283700000000, -0.0013085400000000 ] - [ -0.0001383500000000, -0.0015428700000000, 0.0001110300000000 ] - [ -0.0000377300000000, -0.0016010100000000, -0.0000075000000000 ] - [ -0.0000128000000000, -0.0041719200000000, -0.0007849000000000 ] - [ 0.0003895400000000, -0.0011316600000000, 0.0001705100000000 ] - [ 0.0040954600000000, -0.0077045100000000, 0.0096606800000000 ] - [ -0.0002696900000000, 0.0000360000000000, -0.0006911600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006857500000000, -0.0013160600000000, -0.0011818400000000 ] - [ 0.0004725500000000, -0.0005584000000000, -0.0000960100000000 ] - [ 0.0001929900000000, 0.0000137900000000, 0.0030778200000000 ] - [ 0.0004611100000000, 0.0001557800000000, -0.0007529800000000 ] - [ -0.0000005300000000, -0.0008720500000000, 0.0007451700000000 ] - [ 0.0003360200000000, -0.0006910600000000, 0.0001593100000000 ] - [ 0.0007107200000000, -0.0008708400000000, -0.0003041300000000 ] - [ -0.0002569500000000, -0.0006920700000000, -0.0000281700000000 ] - [ 0.0008516000000000, -0.0023808600000000, 0.0008942500000000 ] - [ 0.0005628300000000, -0.0008833000000000, 0.0001025900000000 ] - [ -0.0010334100000000, -0.0233045200000000, 0.0114963100000000 ] - [ 0.0001709800000000, 0.0011023400000000, -0.0009301200000000 ] - [ 0.0006005100000000, 0.0013427600000000, 0.0008854400000000 ] - [ 0.0007248700000000, 0.0012302600000000, 0.0001458200000000 ] - [ 0.0002618600000000, -0.0014075900000000, -0.0009122700000000 ] - [ 0.0001903500000000, -0.0014614600000000, -0.0010074400000000 ] - [ 0.0775553300000000, 0.1807539500000000, 0.0622905300000000 ] - [ -0.0002227300000000, 0.0014164700000000, 0.0004987600000000 ] - [ -0.0003709200000000, -0.0016156100000000, 0.0000230300000000 ] - [ -0.0003420500000000, -0.0009624000000000, 0.0000632300000000 ] - [ 0.0000938800000000, -0.0011118500000000, 0.0004106100000000 ] - [ 0.0000412800000000, -0.0011300100000000, 0.0003955200000000 ] - [ -0.0004170400000000, 0.0020180400000000, 0.0001186600000000 ] - [ -0.0007668200000000, 0.0023786900000000, -0.0006615100000000 ] - [ 0.0009161000000000, -0.0016503200000000, 0.0002329500000000 ] - [ 0.0006233900000000, -0.0014111800000000, 0.0002004300000000 ] - [ -0.0089311900000000, 0.0026963500000000, -0.0014460300000000 ] - [ 0.0008555900000000, 0.0008051500000000, -0.0002134400000000 ] - [ 0.0012093700000000, 0.0021086700000000, 0.0000039300000000 ] - [ 0.0004707600000000, 0.0024209400000000, -0.0009392600000000 ] - [ 0.0005080200000000, -0.0001377600000000, 0.0001645100000000 ] - [ 0.0005617400000000, -0.0003269100000000, 0.0001668000000000 ] - [ -0.0005311300000000, -0.0007925400000000, 0.0000436100000000 ] - [ -0.0006020500000000, -0.0004648700000000, -0.0001993500000000 ] - [ -0.0025570300000000, -0.0048273400000000, -0.0142398900000000 ] - [ -0.0007878800000000, 0.0010337700000000, 0.0000534700000000 ] - [ 0.0006178200000000, 0.0015117300000000, -0.0015870900000000 ] - [ -0.0020179500000000, 0.0019335600000000, -0.0017806300000000 ] - [ -0.0007724300000000, -0.0012044100000000, 0.0001248700000000 ] - [ -0.0004841400000000, -0.0011760600000000, 0.0000496400000000 ] - [ 0.0005310900000000, -0.0039097200000000, -0.0016064400000000 ] - [ -0.0002605600000000, -0.0001172200000000, -0.0002054500000000 ] - [ -0.0006775800000000, -0.0043660600000000, 0.0009652400000000 ] - [ 0.0000634900000000, -0.0001607100000000, -0.0002855500000000 ] - [ -0.0016894500000000, -0.0002074700000000, 0.0007280800000000 ] - [ 0.0002234400000000, -0.0007078600000000, 0.0015061300000000 ] - [ -0.0007447600000000, -0.0005756100000000, 0.0003324900000000 ] - [ -0.0014278400000000, -0.0011628100000000, -0.0002186800000000 ] - [ -0.0024108900000000, -0.0014169800000000, 0.0025377500000000 ] - [ 0.0020469100000000, -0.0001287800000000, 0.0011998100000000 ] - [ 0.0009029200000000, -0.0008563100000000, -0.0002655200000000 ] - [ 0.0001211300000000, -0.0007914400000000, -0.0001446300000000 ] - [ -0.0012748200000000, -0.0020698500000000, -0.0003456300000000 ] - [ -0.0004612100000000, -0.0002979200000000, 0.0001809000000000 ] - [ 0.0014993800000000, -0.0011777100000000, 0.0014425400000000 ] - [ -0.0015414900000000, 0.0000925900000000, 0.0002563500000000 ] - [ -0.0003144500000000, 0.0017331800000000, -0.0010217200000000 ] - [ -0.0004320000000000, 0.0001867100000000, -0.0001521400000000 ] - [ -0.0010138900000000, 0.0016999800000000, 0.0005273700000000 ] - [ -0.0001740600000000, -0.0000698600000000, -0.0002937600000000 ] - [ 0.0004708500000000, -0.0039946100000000, -0.0006043800000000 ] - [ 0.0005209700000000, -0.0015800300000000, 0.0005166100000000 ] - [ 0.0002923500000000, 0.0005588200000000, 0.0001245100000000 ] - [ 0.0002921300000000, 0.0005039400000000, 0.0001246300000000 ] - [ 0.0001354500000000, 0.0009199100000000, -0.0002243900000000 ] - [ -0.0000174400000000, 0.0006750900000000, -0.0001965200000000 ] - [ 0.0006594300000000, -0.0050476800000000, 0.0006915400000000 ] - [ 0.0006193700000000, -0.0009533200000000, -0.0008767900000000 ] - [ 0.0001674700000000, -0.0009388100000000, -0.0001674900000000 ] - [ -0.0005623500000000, -0.0026443600000000, -0.0015617900000000 ] - [ -0.0000445900000000, 0.0005202300000000, -0.0003170600000000 ] - [ -0.0000735300000000, 0.0005815200000000, -0.0002769300000000 ] - [ -0.0000773000000000, 0.0008876400000000, 0.0001229300000000 ] - [ -0.0000837400000000, 0.0009149900000000, -0.0000649700000000 ] - [ -0.0000567400000000, -0.0003186100000000, -0.0002464100000000 ] - [ 0.0007797700000000, 0.0003012300000000, 0.0010856400000000 ] - [ -0.0037582400000000, -0.0091685000000000, -0.0031822000000000 ] - [ -0.0007419500000000, -0.0007531400000000, 0.0001561200000000 ] - [ -0.0003884100000000, 0.0008575800000000, 0.0000880500000000 ] - [ 0.0000810500000000, 0.0002760400000000, 0.0000321100000000 ] - [ -0.0000163100000000, 0.0003046600000000, -0.0002110300000000 ] - [ 0.0000654500000000, 0.0003700400000000, 0.0000539100000000 ] - [ -0.0008368600000000, -0.0008492100000000, 0.0010078600000000 ] - [ -0.0000650300000000, -0.0011602200000000, -0.0004418900000000 ] - [ 0.0039865600000000, -0.0055717800000000, -0.0006698900000000 ] - [ 0.0011949000000000, -0.0004034400000000, -0.0000873100000000 ] - [ 0.0001868800000000, 0.0014243900000000, 0.0000291000000000 ] - [ -0.0001478700000000, 0.0009214200000000, -0.0001055600000000 ] - [ -0.0004447600000000, 0.0006545600000000, 0.0002401200000000 ] - [ 0.0005721000000000, 0.0004288700000000, 0.0002930100000000 ] - [ 0.0015312000000000, 0.0007764600000000, 0.0004462100000000 ] - [ -0.0007614800000000, -0.0002037100000000, 0.0005374700000000 ] - [ 0.0000236000000000, 0.0002346300000000, -0.0000949300000000 ] - [ 0.0000804500000000, 0.0002603800000000, 0.0009785100000000 ] - [ -0.0000251400000000, 0.0008142400000000, 0.0005711700000000 ] - [ -0.0001022500000000, 0.0008450500000000, -0.0000550900000000 ] - [ 0.0001267400000000, 0.0009156900000000, 0.0002560400000000 ] - [ 0.0002025200000000, 0.0006322900000000, 0.0002474900000000 ] - [ 0.0003735200000000, -0.0036635100000000, -0.0004113700000000 ] - [ 0.0003197800000000, -0.0008408900000000, 0.0001943100000000 ] - [ -0.0008387800000000, 0.0003157500000000, 0.0001911900000000 ] - [ 0.0001221800000000, 0.0002783700000000, 0.0000173200000000 ] - [ 0.0001564000000000, 0.0005776800000000, -0.0006469000000000 ] - [ -0.0006172600000000, 0.0005154400000000, -0.0003106500000000 ] - [ 0.0011100400000000, 0.0005290100000000, -0.0029995100000000 ] - [ -0.0009159700000000, -0.0000627900000000, -0.0012686700000000 ] - [ -0.0001197800000000, 0.0015493100000000, 0.0002866300000000 ] - [ 0.0008155300000000, 0.0015877900000000, 0.0003127200000000 ] - [ -0.0002685400000000, 0.0022765400000000, -0.0004403700000000 ] - [ 0.0000530000000000, 0.0012957300000000, 0.0000660700000000 ] - [ -0.0638863100000000, -0.1304576100000000, -0.0483973000000000 ] - [ 0.0000484300000000, -0.0014175700000000, 0.0000461800000000 ] - [ -0.0005578500000000, -0.0026697900000000, 0.0005685500000000 ] - [ 0.0004673400000000, -0.0027677800000000, 0.0014913700000000 ] - [ 0.0000637700000000, 0.0015156000000000, 0.0000697400000000 ] - [ -0.0000357900000000, 0.0015731700000000, 0.0001926000000000 ] - [ 0.0003943100000000, 0.0035713800000000, 0.0007674800000000 ] - [ -0.0000003700000000, 0.0005154200000000, -0.0001948800000000 ] - [ -0.0036741700000000, 0.0070591800000000, -0.0096209300000000 ] - [ 0.0006588300000000, -0.0006416600000000, 0.0006637400000000 ]- atom: 17 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0004901200000000, 0.0002630200000000, 0.0001925600000000 ] - [ 0.0004990300000000, -0.0000462700000000, -0.0000478600000000 ] - [ 0.0006619300000000, -0.0011272100000000, 0.0003510700000000 ] - [ 0.0005232000000000, 0.0002941400000000, 0.0004904100000000 ] - [ 0.0000667700000000, -0.0007010000000000, 0.0004085400000000 ] - [ 0.0002031100000000, 0.0000742600000000, -0.0002810800000000 ] - [ -0.0005191900000000, 0.0005619500000000, 0.0000096500000000 ] - [ 0.0004032100000000, -0.0001088700000000, -0.0001459600000000 ] - [ 0.0004935100000000, 0.0005432700000000, -0.0006354500000000 ] - [ 0.0003714100000000, 0.0001296700000000, -0.0003588900000000 ] - [ 0.0022577700000000, -0.0082879000000000, -0.0025609500000000 ] - [ -0.0001169900000000, 0.0004153000000000, -0.0005222200000000 ] - [ -0.0000645500000000, -0.0004634300000000, 0.0015898200000000 ] - [ 0.0011760400000000, 0.0000511300000000, -0.0003106500000000 ] - [ 0.0004169400000000, 0.0001405500000000, -0.0001486200000000 ] - [ 0.0005739400000000, -0.0000229500000000, -0.0002498200000000 ] - [ 0.0255152500000000, -0.0073353600000000, -0.0307943600000000 ] - [ -0.0011832300000000, -0.0002743900000000, 0.0001886600000000 ] - [ -0.0000958700000000, 0.0000282300000000, 0.0001326100000000 ] - [ -0.0001815800000000, 0.0000120400000000, 0.0002300500000000 ] - [ -0.0001912800000000, 0.0000279100000000, 0.0002954900000000 ] - [ -0.0000949500000000, 0.0000379000000000, 0.0002354500000000 ] - [ -0.0020865300000000, 0.0000711700000000, 0.0031054800000000 ] - [ 0.0010833300000000, -0.0003668500000000, 0.0004162100000000 ] - [ 0.0006397000000000, -0.0005527000000000, 0.0000901300000000 ] - [ 0.0006123700000000, -0.0006441800000000, 0.0001342900000000 ] - [ -0.0038725700000000, -0.0057474800000000, -0.0077265300000000 ] - [ -0.0019114300000000, 0.0002406100000000, -0.0007234700000000 ] - [ -0.0003569700000000, 0.0002097400000000, 0.0017603300000000 ] - [ 0.0025021800000000, 0.0010468300000000, 0.0018277500000000 ] - [ 0.0006211900000000, 0.0006628400000000, 0.0002058000000000 ] - [ 0.0006955100000000, 0.0006077900000000, 0.0001983400000000 ] - [ -0.0004998600000000, 0.0001965700000000, -0.0002008900000000 ] - [ -0.0006567400000000, 0.0002768700000000, -0.0000387100000000 ] - [ 0.0064734600000000, 0.0132254000000000, 0.0075873100000000 ] - [ -0.0014037400000000, 0.0002888500000000, 0.0004597400000000 ] - [ -0.0029180100000000, -0.0000405400000000, 0.0023946500000000 ] - [ 0.0001990200000000, -0.0002978200000000, -0.0005698400000000 ] - [ -0.0006937700000000, -0.0003164000000000, 0.0000629400000000 ] - [ -0.0005127000000000, -0.0002611000000000, -0.0000595500000000 ] - [ 0.0007224200000000, 0.0016737200000000, 0.0001243200000000 ] - [ -0.0001920300000000, 0.0000712000000000, -0.0001856100000000 ] - [ -0.0001578700000000, -0.0011318600000000, -0.0000545300000000 ] - [ -0.0000279900000000, 0.0003167100000000, -0.0000280100000000 ] - [ -0.0016921800000000, -0.0003472600000000, 0.0006366500000000 ] - [ 0.0001612500000000, -0.0005016300000000, -0.0000231600000000 ] - [ -0.0011367500000000, -0.0000615100000000, 0.0002900100000000 ] - [ -0.0004522400000000, 0.0002419900000000, 0.0001257200000000 ] - [ -0.0008450900000000, -0.0023552200000000, 0.0001537800000000 ] - [ -0.0001728500000000, 0.0007294800000000, -0.0013335700000000 ] - [ 0.0003961900000000, 0.0002425000000000, -0.0002761900000000 ] - [ 0.0005104100000000, -0.0000385100000000, -0.0002990300000000 ] - [ -0.0004442100000000, 0.0003234700000000, 0.0001305100000000 ] - [ -0.0010931400000000, 0.0002471400000000, 0.0003235000000000 ] - [ 0.0002193200000000, -0.0001605400000000, 0.0002642600000000 ] - [ -0.0013896300000000, 0.0001222700000000, 0.0004753800000000 ] - [ -0.0007012000000000, 0.0003914700000000, 0.0000096900000000 ] - [ -0.0001347200000000, -0.0001469600000000, -0.0002553400000000 ] - [ -0.0004416600000000, -0.0010330500000000, 0.0005099300000000 ] - [ -0.0002163900000000, -0.0000686300000000, -0.0002923000000000 ] - [ -0.0020997400000000, 0.0007384400000000, 0.0042732100000000 ] - [ 0.0006229100000000, -0.0002064600000000, 0.0005029700000000 ] - [ 0.0002030300000000, -0.0001223400000000, 0.0002164600000000 ] - [ 0.0002481100000000, -0.0001165800000000, 0.0001846200000000 ] - [ -0.0000662300000000, 0.0000671900000000, -0.0002214700000000 ] - [ 0.0000408600000000, 0.0000506500000000, -0.0002811400000000 ] - [ -0.0015037900000000, -0.0001226700000000, 0.0019679200000000 ] - [ 0.0011920400000000, 0.0003711500000000, -0.0007935000000000 ] - [ 0.0008672700000000, -0.0001655700000000, -0.0010681900000000 ] - [ -0.0023993200000000, 0.0006632500000000, -0.0018444700000000 ] - [ 0.0000390100000000, -0.0001000200000000, -0.0002889500000000 ] - [ -0.0000344600000000, -0.0001450500000000, -0.0002317800000000 ] - [ 0.0000407400000000, 0.0003495200000000, -0.0000582500000000 ] - [ -0.0001373400000000, 0.0002728500000000, 0.0000535100000000 ] - [ 0.0004717800000000, 0.0001734400000000, -0.0005470600000000 ] - [ -0.0011162700000000, 0.0000666300000000, -0.0000270800000000 ] - [ -0.0009923900000000, 0.0002098100000000, 0.0020866900000000 ] - [ 0.0005791100000000, -0.0003366700000000, -0.0001299500000000 ] - [ -0.0001837800000000, -0.0001727900000000, 0.0001600500000000 ] - [ 0.0000075300000000, -0.0002705700000000, 0.0000208700000000 ] - [ -0.0000509500000000, -0.0002482100000000, -0.0001635600000000 ] - [ -0.0000084500000000, -0.0003786100000000, -0.0001485700000000 ] - [ 0.0005947100000000, -0.0008527900000000, -0.0015787100000000 ] - [ -0.0003313900000000, -0.0000557500000000, -0.0004226800000000 ] - [ -0.0051108000000000, 0.0027602400000000, 0.0020527500000000 ] - [ 0.0005789800000000, 0.0006728900000000, 0.0003829200000000 ] - [ 0.0000382200000000, 0.0004268700000000, -0.0000209000000000 ] - [ -0.0000297900000000, 0.0002864000000000, -0.0000833000000000 ] - [ 0.0000947200000000, -0.0006691100000000, 0.0004421100000000 ] - [ 0.0000728000000000, -0.0000919800000000, 0.0005292100000000 ] - [ 0.0001572200000000, 0.0002545700000000, 0.0006210200000000 ] - [ 0.0000562600000000, -0.0006032700000000, 0.0006002200000000 ] - [ -0.0000602200000000, 0.0005932300000000, -0.0000157200000000 ] - [ 0.0000713100000000, 0.0000060500000000, 0.0000931300000000 ] - [ 0.0000410600000000, 0.0000203200000000, 0.0002077500000000 ] - [ -0.0000290900000000, 0.0004007100000000, 0.0001841700000000 ] - [ 0.0002612100000000, 0.0000696900000000, 0.0001428500000000 ] - [ 0.0002095700000000, 0.0000837900000000, 0.0001835500000000 ] - [ 0.0011044100000000, 0.0007885000000000, -0.0019401200000000 ] - [ 0.0001426500000000, 0.0001670800000000, 0.0000383600000000 ] - [ -0.0001014600000000, -0.0001769500000000, -0.0007489500000000 ] - [ -0.0005029800000000, 0.0000902100000000, -0.0002218100000000 ] - [ -0.0000783100000000, 0.0002073100000000, -0.0004854400000000 ] - [ -0.0005574200000000, 0.0000451300000000, -0.0003253000000000 ] - [ 0.0012349200000000, 0.0014717400000000, -0.0016464400000000 ] - [ -0.0008474400000000, -0.0001630800000000, 0.0008871300000000 ] - [ 0.0005996500000000, -0.0002555600000000, 0.0000669100000000 ] - [ -0.0002485200000000, 0.0002054000000000, 0.0001041000000000 ] - [ -0.0000614000000000, -0.0000971100000000, 0.0003889500000000 ] - [ 0.0000329100000000, -0.0000002200000000, 0.0000758100000000 ] - [ -0.0162108200000000, 0.0028288600000000, 0.0258016400000000 ] - [ 0.0021177600000000, -0.0000697600000000, -0.0001329000000000 ] - [ 0.0016308000000000, 0.0001900100000000, -0.0035301100000000 ] - [ -0.0023371500000000, 0.0000405100000000, 0.0000689000000000 ] - [ 0.0000156900000000, -0.0000936300000000, -0.0001281700000000 ] - [ -0.0001148300000000, -0.0000759100000000, 0.0000403500000000 ] - [ -0.0003696100000000, -0.0012178500000000, -0.0002539100000000 ] - [ 0.0004342200000000, -0.0002887600000000, -0.0000416900000000 ] - [ -0.0008950600000000, 0.0018305300000000, -0.0019568200000000 ] - [ 0.0006468700000000, -0.0006320700000000, -0.0003296700000000 ]- atom: 17 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0004886200000000, -0.0002775800000000, -0.0004273500000000 ] - [ 0.0004797500000000, 0.0000327700000000, -0.0001882500000000 ] - [ 0.0003127700000000, 0.0011280200000000, -0.0005676900000000 ] - [ 0.0004561500000000, -0.0003020600000000, -0.0007179600000000 ] - [ -0.0000038600000000, 0.0003926300000000, -0.0006075900000000 ] - [ -0.0001434400000000, -0.0003760500000000, 0.0000818800000000 ] - [ 0.0005870600000000, -0.0008686900000000, -0.0002065300000000 ] - [ -0.0003443800000000, -0.0001903500000000, -0.0000541700000000 ] - [ 0.0004116600000000, -0.0003096800000000, -0.0000413300000000 ] - [ 0.0005332800000000, 0.0001081400000000, -0.0003208000000000 ] - [ -0.0013635800000000, 0.0084633600000000, 0.0019725500000000 ] - [ 0.0010215500000000, -0.0001796200000000, -0.0001506700000000 ] - [ 0.0009680700000000, 0.0002161100000000, -0.0022601000000000 ] - [ -0.0002734700000000, -0.0002916000000000, -0.0003710000000000 ] - [ 0.0004881100000000, -0.0003795200000000, -0.0005292400000000 ] - [ 0.0003297500000000, -0.0002177000000000, -0.0004309200000000 ] - [ -0.0251925700000000, 0.0081013900000000, 0.0313085300000000 ] - [ 0.0008937600000000, 0.0002648900000000, 0.0002648700000000 ] - [ -0.0001926900000000, -0.0000512500000000, 0.0003169800000000 ] - [ -0.0001063300000000, -0.0000305000000000, 0.0002211700000000 ] - [ -0.0000954500000000, -0.0000134400000000, 0.0001569400000000 ] - [ -0.0001883200000000, -0.0000302300000000, 0.0002200300000000 ] - [ 0.0018116100000000, -0.0000579500000000, -0.0026442600000000 ] - [ -0.0013764300000000, 0.0003954400000000, 0.0000301600000000 ] - [ 0.0006477500000000, -0.0006796600000000, 0.0002216100000000 ] - [ 0.0006744500000000, -0.0005855800000000, 0.0001763800000000 ] - [ 0.0051020100000000, 0.0045095300000000, 0.0080851000000000 ] - [ 0.0031856500000000, -0.0014596900000000, 0.0010227000000000 ] - [ 0.0016415900000000, 0.0010212800000000, -0.0014455700000000 ] - [ -0.0012250700000000, 0.0001816700000000, -0.0015216600000000 ] - [ 0.0006647900000000, 0.0005641700000000, 0.0001047600000000 ] - [ 0.0005837900000000, 0.0006179700000000, 0.0001136400000000 ] - [ -0.0006766900000000, 0.0003326800000000, 0.0000804900000000 ] - [ -0.0005192900000000, 0.0002531700000000, -0.0000832800000000 ] - [ -0.0075807900000000, -0.0126112800000000, -0.0077053300000000 ] - [ 0.0002244400000000, 0.0002435100000000, -0.0005858700000000 ] - [ 0.0017570400000000, -0.0004931000000000, -0.0025237000000000 ] - [ -0.0013761200000000, -0.0002325800000000, 0.0004579100000000 ] - [ -0.0004836600000000, -0.0002183600000000, -0.0001819300000000 ] - [ -0.0006598800000000, -0.0002701400000000, -0.0000703100000000 ] - [ -0.0006657700000000, -0.0013772500000000, -0.0003220500000000 ] - [ 0.0002513100000000, 0.0002266400000000, -0.0000153000000000 ] - [ 0.0002169000000000, 0.0014142500000000, -0.0001393900000000 ] - [ 0.0000843300000000, -0.0000231900000000, -0.0001759200000000 ] - [ -0.0000167600000000, 0.0000564100000000, -0.0002278700000000 ] - [ -0.0018594600000000, 0.0002161000000000, 0.0004323800000000 ] - [ -0.0005711900000000, -0.0002246300000000, 0.0001212800000000 ] - [ -0.0012516400000000, -0.0005301800000000, 0.0002823700000000 ] - [ 0.0018261400000000, 0.0023582800000000, -0.0004015100000000 ] - [ 0.0011545900000000, -0.0007153300000000, 0.0010994800000000 ] - [ 0.0005890100000000, -0.0002288400000000, 0.0000286200000000 ] - [ 0.0004667700000000, 0.0000472700000000, 0.0000630400000000 ] - [ -0.0012548300000000, -0.0000395100000000, 0.0002802700000000 ] - [ -0.0006062900000000, 0.0000364000000000, 0.0000869500000000 ] - [ -0.0019118300000000, 0.0004415900000000, 0.0001512400000000 ] - [ -0.0003085200000000, 0.0001631700000000, -0.0000621300000000 ] - [ -0.0000240300000000, -0.0005895800000000, -0.0005205000000000 ] - [ -0.0005883600000000, -0.0000512600000000, -0.0002564700000000 ] - [ -0.0002860700000000, 0.0008401000000000, -0.0010181700000000 ] - [ -0.0005051500000000, -0.0001314000000000, -0.0002197600000000 ] - [ 0.0022349700000000, -0.0009183000000000, -0.0035751500000000 ] - [ -0.0001559000000000, 0.0000097500000000, -0.0001330100000000 ] - [ 0.0002563000000000, -0.0000660500000000, 0.0001486500000000 ] - [ 0.0002119200000000, -0.0000720400000000, 0.0001807100000000 ] - [ 0.0000563700000000, 0.0001048800000000, -0.0002871100000000 ] - [ -0.0000500400000000, 0.0001217600000000, -0.0002274900000000 ] - [ 0.0014966800000000, 0.0002819800000000, -0.0024724300000000 ] - [ -0.0012001300000000, -0.0002060400000000, 0.0002751300000000 ] - [ -0.0008684900000000, -0.0000031900000000, 0.0005620300000000 ] - [ 0.0023790100000000, -0.0008374800000000, 0.0013413200000000 ] - [ -0.0000481800000000, -0.0000686400000000, -0.0002204700000000 ] - [ 0.0000243900000000, -0.0000234800000000, -0.0002764100000000 ] - [ -0.0001681300000000, 0.0001779300000000, 0.0001368200000000 ] - [ 0.0000092400000000, 0.0002535400000000, 0.0000250100000000 ] - [ -0.0005977300000000, 0.0003434800000000, 0.0006263600000000 ] - [ 0.0009920200000000, 0.0004598500000000, 0.0001130600000000 ] - [ 0.0008663800000000, -0.0007281900000000, -0.0020025900000000 ] - [ -0.0007079800000000, -0.0001880100000000, 0.0002062700000000 ] - [ 0.0000547100000000, -0.0003485400000000, -0.0000811000000000 ] - [ -0.0001342500000000, -0.0002526700000000, 0.0000577500000000 ] - [ 0.0000214100000000, -0.0004052100000000, -0.0000610100000000 ] - [ -0.0000202300000000, -0.0002761100000000, -0.0000759600000000 ] - [ -0.0006303700000000, 0.0001898400000000, 0.0013553300000000 ] - [ 0.0003061600000000, -0.0006041500000000, 0.0001987400000000 ] - [ 0.0052017900000000, -0.0022208200000000, -0.0022625700000000 ] - [ -0.0006065800000000, -0.0000160900000000, -0.0006036400000000 ] - [ -0.0000665500000000, 0.0002331200000000, -0.0002030600000000 ] - [ 0.0000001100000000, 0.0003714900000000, -0.0001410100000000 ] - [ -0.0000504800000000, 0.0001089300000000, 0.0002571700000000 ] - [ -0.0000283900000000, -0.0004690900000000, 0.0001712300000000 ] - [ -0.0001078000000000, -0.0008095400000000, 0.0000779800000000 ] - [ -0.0000150300000000, 0.0000390700000000, 0.0001015000000000 ] - [ 0.0001014400000000, -0.0000275000000000, 0.0007145800000000 ] - [ -0.0000248100000000, 0.0005593300000000, 0.0006064500000000 ] - [ 0.0000029000000000, 0.0005435600000000, 0.0004923900000000 ] - [ 0.0000734500000000, 0.0001632400000000, 0.0005138200000000 ] - [ 0.0001983200000000, 0.0001229500000000, 0.0002221700000000 ] - [ 0.0002498200000000, 0.0001081100000000, 0.0001816700000000 ] - [ -0.0005886600000000, -0.0005673500000000, 0.0021831600000000 ] - [ 0.0003145300000000, 0.0000209900000000, 0.0003270100000000 ] - [ -0.0006220400000000, 0.0003809100000000, 0.0002358500000000 ] - [ -0.0002212500000000, 0.0001100600000000, -0.0002901700000000 ] - [ -0.0006442500000000, -0.0000074800000000, -0.0000290700000000 ] - [ -0.0001678600000000, 0.0001557000000000, -0.0001867500000000 ] - [ -0.0008437000000000, -0.0008411900000000, 0.0016298700000000 ] - [ 0.0012429000000000, 0.0007816900000000, -0.0009076200000000 ] - [ -0.0002044500000000, 0.0008676400000000, -0.0000868900000000 ] - [ 0.0006421000000000, 0.0004118100000000, -0.0001262200000000 ] - [ -0.0000102900000000, 0.0001348900000000, -0.0002089800000000 ] - [ -0.0001087200000000, 0.0000345300000000, 0.0001107200000000 ] - [ 0.0156971500000000, -0.0035311200000000, -0.0260098200000000 ] - [ -0.0021853400000000, 0.0000984100000000, 0.0003146300000000 ] - [ -0.0017211300000000, -0.0002141200000000, 0.0037007300000000 ] - [ 0.0022779400000000, -0.0000772700000000, 0.0001178200000000 ] - [ -0.0000856100000000, 0.0000679000000000, 0.0003104400000000 ] - [ 0.0000444900000000, 0.0000533900000000, 0.0001436300000000 ] - [ 0.0007637900000000, 0.0006047700000000, 0.0002319500000000 ] - [ -0.0000393300000000, -0.0003268200000000, 0.0000225600000000 ] - [ 0.0012608800000000, -0.0024148500000000, 0.0018797100000000 ] - [ -0.0002582600000000, 0.0000166800000000, 0.0003075700000000 ]- atom: 25 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ -0.0001071400000000, -0.0004819800000000, 0.0025546700000000 ] - [ 0.0008693900000000, 0.0000710700000000, -0.0013941400000000 ] - [ 0.0004378000000000, -0.0000062100000000, 0.0000820500000000 ] - [ 0.0005186400000000, -0.0001470800000000, -0.0002329300000000 ] - [ 0.0008421500000000, -0.0009659000000000, -0.0005667500000000 ] - [ -0.0002848700000000, 0.0009273700000000, 0.0009022400000000 ] - [ 0.0000811000000000, -0.0000408600000000, -0.0004098700000000 ] - [ 0.0000368100000000, -0.0007176000000000, 0.0003894700000000 ] - [ 0.0072664200000000, -0.0144097800000000, 0.0126322100000000 ] - [ 0.0023033900000000, 0.0014524200000000, -0.0009339400000000 ] - [ 0.0003629000000000, 0.0001528900000000, -0.0003768800000000 ] - [ 0.0005689800000000, -0.0001308100000000, -0.0002203500000000 ] - [ 0.0004178100000000, -0.0005777100000000, -0.0006785900000000 ] - [ 0.0004275300000000, 0.0001948100000000, 0.0000154800000000 ] - [ 0.0006013900000000, -0.0002716400000000, -0.0014864400000000 ] - [ 0.0000275100000000, -0.0006713900000000, 0.0011052400000000 ] - [ -0.0002754200000000, -0.0002781300000000, 0.0001308400000000 ] - [ -0.0000420200000000, 0.0000210700000000, 0.0002564400000000 ] - [ 0.0155671300000000, 0.0094889100000000, 0.0054790400000000 ] - [ 0.0041465100000000, -0.0002048200000000, 0.0000516700000000 ] - [ -0.0000506500000000, 0.0005803700000000, -0.0009094800000000 ] - [ -0.0005124800000000, -0.0001821800000000, 0.0022267100000000 ] - [ -0.0001488900000000, -0.0001283100000000, 0.0001982000000000 ] - [ -0.0001004800000000, -0.0000662000000000, 0.0003269200000000 ] - [ -0.2386051700000000, 0.0233066300000000, 0.0043759400000000 ] - [ 0.0043376200000000, -0.0005750200000000, 0.0000732500000000 ] - [ 0.0004510100000000, -0.0007259300000000, 0.0001133000000000 ] - [ 0.0008157800000000, -0.0006712400000000, 0.0001736600000000 ] - [ 0.0005235700000000, 0.0005589400000000, 0.0000680600000000 ] - [ 0.0007755500000000, 0.0004759400000000, 0.0002794300000000 ] - [ 0.0009523700000000, 0.0007488300000000, -0.0017085700000000 ] - [ 0.0012867700000000, 0.0007191700000000, 0.0019026200000000 ] - [ 0.0108959300000000, -0.0050039600000000, -0.0124536400000000 ] - [ 0.0024415900000000, 0.0011715700000000, 0.0005830000000000 ] - [ -0.0006709700000000, 0.0001975600000000, -0.0001698100000000 ] - [ -0.0004898100000000, 0.0001390600000000, -0.0000190400000000 ] - [ -0.0007925900000000, -0.0003183800000000, -0.0001777800000000 ] - [ -0.0004182000000000, -0.0004273300000000, 0.0001395800000000 ] - [ -0.0013849400000000, -0.0013451000000000, -0.0024187700000000 ] - [ 0.0001822300000000, -0.0003336600000000, 0.0012447400000000 ] - [ -0.0017137400000000, -0.0022131100000000, 0.0000029800000000 ] - [ 0.0009237600000000, 0.0008343100000000, -0.0001537700000000 ] - [ -0.0005146600000000, 0.0005808100000000, 0.0000191000000000 ] - [ 0.0003069700000000, -0.0002483100000000, -0.0002107500000000 ] - [ -0.0001927300000000, -0.0001068100000000, 0.0004507000000000 ] - [ -0.0018696300000000, -0.0003286800000000, 0.0000917000000000 ] - [ -0.0002062800000000, -0.0002546900000000, 0.0000848700000000 ] - [ -0.0018660100000000, -0.0000885000000000, 0.0003100400000000 ] - [ 0.0010137800000000, -0.0004292900000000, -0.0002367400000000 ] - [ 0.0002285000000000, 0.0006468300000000, 0.0002731000000000 ] - [ 0.0015098200000000, 0.0009687800000000, -0.0008344300000000 ] - [ -0.0003390700000000, -0.0023895500000000, 0.0003908800000000 ] - [ 0.0014567400000000, -0.0018519000000000, 0.0017825200000000 ] - [ 0.0001494900000000, 0.0021254100000000, -0.0011914500000000 ] - [ -0.0007951000000000, 0.0004925900000000, 0.0004118000000000 ] - [ -0.0008207600000000, -0.0001788600000000, 0.0000573100000000 ] - [ -0.0003845000000000, 0.0019147000000000, 0.0001403200000000 ] - [ -0.0011126900000000, -0.0011553500000000, -0.0006253200000000 ] - [ -0.0002137300000000, -0.0004117800000000, -0.0000873900000000 ] - [ -0.0006057300000000, 0.0002334000000000, -0.0002968800000000 ] - [ 0.0002144500000000, 0.0000394400000000, 0.0002117500000000 ] - [ 0.0002461900000000, -0.0001280900000000, 0.0001487000000000 ] - [ -0.0022551600000000, -0.0011761800000000, 0.0015712100000000 ] - [ 0.0047794500000000, -0.0009239700000000, 0.0015220100000000 ] - [ -0.0023587300000000, 0.0002266200000000, -0.0015747800000000 ] - [ 0.0044623800000000, 0.0001671300000000, -0.0027365800000000 ] - [ -0.0000596100000000, 0.0001372700000000, -0.0002704200000000 ] - [ 0.0000534700000000, 0.0001564400000000, -0.0002201200000000 ] - [ -0.0000727400000000, 0.0000004600000000, -0.0003027100000000 ] - [ 0.0000662700000000, -0.0000434000000000, -0.0002204000000000 ] - [ -0.0009706500000000, 0.0000656500000000, -0.0007370700000000 ] - [ 0.0022527500000000, -0.0012156400000000, 0.0009528900000000 ] - [ -0.0005914200000000, 0.0000017200000000, -0.0003020000000000 ] - [ 0.0024997000000000, 0.0001034000000000, -0.0002448800000000 ] - [ -0.0001126500000000, 0.0003096400000000, 0.0000196300000000 ] - [ 0.0000125700000000, 0.0003899900000000, 0.0000483600000000 ] - [ -0.0002395100000000, 0.0002950400000000, 0.0000202000000000 ] - [ -0.0000398300000000, -0.0006283600000000, 0.0001026400000000 ] - [ -0.0008292600000000, -0.0020945800000000, -0.0008747100000000 ] - [ -0.0005704800000000, 0.0012319300000000, 0.0007730700000000 ] - [ -0.0006416600000000, -0.0001076800000000, 0.0022951100000000 ] - [ -0.0006312900000000, -0.0009942600000000, -0.0018000000000000 ] - [ 0.0000293500000000, -0.0002684600000000, -0.0000429200000000 ] - [ -0.0000702300000000, -0.0002138100000000, -0.0002150300000000 ] - [ 0.0003672200000000, 0.0003967600000000, 0.0000392400000000 ] - [ -0.0002651100000000, 0.0003283100000000, -0.0001747100000000 ] - [ 0.0039032100000000, 0.0003296500000000, 0.0001629300000000 ] - [ -0.0010344900000000, 0.0005062700000000, -0.0001541800000000 ] - [ 0.0033365900000000, -0.0018346400000000, 0.0008101000000000 ] - [ -0.0011996700000000, -0.0002459100000000, 0.0004135200000000 ] - [ 0.0002825800000000, -0.0000816300000000, 0.0004497000000000 ] - [ -0.0001925000000000, -0.0003303700000000, 0.0003252000000000 ] - [ 0.0001263800000000, 0.0004165000000000, 0.0008085200000000 ] - [ -0.0001813500000000, 0.0004237200000000, -0.0001241400000000 ] - [ 0.0000611300000000, 0.0002501600000000, 0.0005912200000000 ] - [ -0.0001343200000000, 0.0004101600000000, 0.0000033600000000 ] - [ 0.0020978800000000, -0.0003677600000000, -0.0015999700000000 ] - [ -0.0005598600000000, 0.0001358200000000, 0.0008333500000000 ] - [ 0.0002622100000000, 0.0001823300000000, 0.0001580300000000 ] - [ 0.0001918500000000, 0.0001469400000000, 0.0002042700000000 ] - [ 0.0002245300000000, 0.0000381900000000, -0.0000077100000000 ] - [ -0.0007648100000000, 0.0001659700000000, -0.0004521500000000 ] - [ -0.0001990900000000, 0.0002667500000000, -0.0001883500000000 ] - [ -0.0004755900000000, 0.0001337000000000, -0.0004374000000000 ] - [ -0.0005773300000000, 0.0009926700000000, 0.0001565700000000 ] - [ 0.0012707000000000, -0.0005611200000000, -0.0004981200000000 ] - [ -0.0005111700000000, 0.0000566700000000, 0.0010630700000000 ] - [ 0.0015524600000000, 0.0016684300000000, -0.0014462400000000 ] - [ 0.1863399100000000, -0.0128448900000000, -0.0055891300000000 ] - [ -0.0051571600000000, -0.0012495200000000, 0.0001424400000000 ] - [ 0.0001829700000000, 0.0001786000000000, 0.0002202500000000 ] - [ -0.0002629900000000, 0.0001578600000000, 0.0000109900000000 ] - [ 0.0001052100000000, 0.0002485800000000, 0.0003299800000000 ] - [ -0.0002289300000000, 0.0000064900000000, -0.0002463000000000 ] - [ -0.0001965500000000, -0.0003858200000000, 0.0028352000000000 ] - [ -0.0007166400000000, 0.0003418900000000, -0.0023726200000000 ] - [ 0.0002922800000000, 0.0075407500000000, -0.0073069700000000 ] - [ -0.0017046200000000, -0.0018733800000000, 0.0015478000000000 ] - [ 0.0003005700000000, -0.0006560700000000, -0.0002511400000000 ] - [ 0.0000824200000000, 0.0001122500000000, 0.0000931100000000 ]- atom: 25 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0010937100000000, 0.0004727300000000, -0.0027934500000000 ] - [ 0.0001116500000000, -0.0000742200000000, 0.0011686200000000 ] - [ 0.0005412800000000, 0.0000002900000000, -0.0003080600000000 ] - [ 0.0004625900000000, 0.0001398200000000, 0.0000009000000000 ] - [ -0.0007841500000000, 0.0006693100000000, 0.0003644000000000 ] - [ 0.0003396700000000, -0.0012279200000000, -0.0011050600000000 ] - [ -0.0000193900000000, -0.0002613100000000, 0.0002108300000000 ] - [ 0.0000216700000000, 0.0004191400000000, -0.0005927400000000 ] - [ -0.0064500000000000, 0.0148396600000000, -0.0134774700000000 ] - [ -0.0013943900000000, -0.0012028200000000, 0.0002466700000000 ] - [ 0.0005424500000000, 0.0000959900000000, -0.0003080400000000 ] - [ 0.0003398500000000, 0.0003618600000000, -0.0004486600000000 ] - [ 0.0004891400000000, 0.0003443300000000, 0.0000052200000000 ] - [ 0.0004762600000000, -0.0004393500000000, -0.0006996400000000 ] - [ 0.0003039600000000, 0.0000330200000000, 0.0008133100000000 ] - [ 0.0008739300000000, 0.0004415100000000, -0.0017739300000000 ] - [ -0.0000150800000000, 0.0002515600000000, 0.0003182600000000 ] - [ -0.0002364400000000, -0.0000263600000000, 0.0002033500000000 ] - [ -0.0161254400000000, -0.0097126200000000, -0.0051264000000000 ] - [ -0.0044158000000000, 0.0001898900000000, 0.0004049200000000 ] - [ -0.0002394700000000, -0.0005648100000000, 0.0013709000000000 ] - [ 0.0002289500000000, 0.0001806900000000, -0.0017744600000000 ] - [ -0.0001358900000000, 0.0001445800000000, 0.0002578800000000 ] - [ -0.0001880600000000, 0.0000898700000000, 0.0001248100000000 ] - [ 0.2520917600000000, -0.0259558000000000, -0.0042065400000000 ] - [ -0.0030565400000000, -0.0006497900000000, 0.0002409800000000 ] - [ 0.0008428800000000, -0.0005007000000000, 0.0001982000000000 ] - [ 0.0004517600000000, -0.0005533500000000, 0.0001387700000000 ] - [ 0.0007541000000000, 0.0006697100000000, 0.0002436000000000 ] - [ 0.0005121600000000, 0.0007532900000000, 0.0000329200000000 ] - [ 0.0003354500000000, 0.0004709400000000, 0.0020158800000000 ] - [ -0.0000305900000000, 0.0005066000000000, -0.0015860600000000 ] - [ -0.0122376300000000, 0.0056296200000000, 0.0125561600000000 ] - [ -0.0036057000000000, -0.0006413700000000, -0.0007087400000000 ] - [ -0.0005071200000000, 0.0003374500000000, 0.0000605600000000 ] - [ -0.0006806000000000, 0.0003861100000000, -0.0001154700000000 ] - [ -0.0003832300000000, -0.0002098300000000, 0.0000538900000000 ] - [ -0.0007575600000000, -0.0001023200000000, -0.0002563500000000 ] - [ 0.0001904900000000, 0.0008164200000000, 0.0023191500000000 ] - [ -0.0013503100000000, -0.0001868200000000, -0.0013982000000000 ] - [ 0.0017810800000000, 0.0025174300000000, -0.0002048700000000 ] - [ -0.0008705700000000, -0.0005444000000000, -0.0000539600000000 ] - [ 0.0005785100000000, -0.0002796400000000, -0.0002190800000000 ] - [ -0.0002516500000000, 0.0005410500000000, 0.0000028800000000 ] - [ -0.0015024500000000, -0.0001761600000000, -0.0000390600000000 ] - [ 0.0001755600000000, 0.0000400000000000, 0.0003154000000000 ] - [ -0.0014900700000000, -0.0000307400000000, 0.0003278800000000 ] - [ 0.0001702500000000, -0.0001890700000000, 0.0000963800000000 ] - [ -0.0000309700000000, 0.0004413100000000, -0.0000003200000000 ] - [ 0.0007491600000000, -0.0006401900000000, -0.0005152400000000 ] - [ -0.0005284400000000, -0.0009621600000000, 0.0006007000000000 ] - [ 0.0013065000000000, 0.0024023700000000, -0.0006302400000000 ] - [ -0.0031592500000000, 0.0021439300000000, -0.0013770200000000 ] - [ -0.0018420100000000, -0.0018359200000000, 0.0016042600000000 ] - [ -0.0008875900000000, -0.0002094300000000, -0.0000018400000000 ] - [ -0.0008727300000000, 0.0004638200000000, 0.0003513800000000 ] - [ -0.0003460600000000, -0.0021135400000000, -0.0006492000000000 ] - [ 0.0003901100000000, 0.0009510800000000, 0.0001138400000000 ] - [ -0.0005119700000000, 0.0002139200000000, -0.0004230100000000 ] - [ -0.0001163700000000, -0.0004311300000000, -0.0002131100000000 ] - [ 0.0002451700000000, -0.0002298500000000, 0.0001523700000000 ] - [ 0.0002142700000000, -0.0000606800000000, 0.0002153100000000 ] - [ 0.0027188600000000, 0.0009905800000000, -0.0012138400000000 ] - [ -0.0040777200000000, 0.0005979200000000, -0.0009869400000000 ] - [ 0.0023536100000000, -0.0000597500000000, 0.0010737300000000 ] - [ -0.0042553600000000, 0.0000204100000000, 0.0019948300000000 ] - [ 0.0000498400000000, 0.0000321300000000, -0.0002368500000000 ] - [ -0.0000629200000000, 0.0000131700000000, -0.0002872700000000 ] - [ 0.0000633900000000, -0.0001704100000000, -0.0002045300000000 ] - [ -0.0000766200000000, -0.0001253400000000, -0.0002860400000000 ] - [ 0.0009570600000000, -0.0002333300000000, 0.0002260100000000 ] - [ -0.0022824900000000, 0.0010367100000000, -0.0014391000000000 ] - [ 0.0004643200000000, 0.0005215700000000, 0.0003806900000000 ] - [ -0.0026318800000000, 0.0004362900000000, 0.0003536900000000 ] - [ -0.0000150000000000, 0.0002144800000000, 0.0000615500000000 ] - [ -0.0001409100000000, 0.0001326500000000, 0.0000332000000000 ] - [ 0.0001112600000000, -0.0008196000000000, 0.0000608100000000 ] - [ -0.0000875000000000, 0.0001041200000000, -0.0000232200000000 ] - [ 0.0006991200000000, 0.0015757900000000, 0.0009565200000000 ] - [ 0.0004457400000000, -0.0017485000000000, -0.0006901100000000 ] - [ 0.0006124700000000, -0.0005480200000000, -0.0025181200000000 ] - [ 0.0006064300000000, 0.0003370700000000, 0.0015710300000000 ] - [ -0.0000564200000000, -0.0003865500000000, -0.0001823200000000 ] - [ 0.0000434800000000, -0.0004413600000000, -0.0000092300000000 ] - [ -0.0003955600000000, 0.0002602400000000, -0.0002661200000000 ] - [ 0.0002390400000000, 0.0003259200000000, -0.0000505000000000 ] - [ -0.0039351300000000, 0.0003026400000000, -0.0003981900000000 ] - [ 0.0010076600000000, 0.0001527500000000, -0.0000700000000000 ] - [ -0.0032801700000000, 0.0012901900000000, -0.0001147200000000 ] - [ 0.0012453800000000, -0.0003183400000000, 0.0002855000000000 ] - [ -0.0002363300000000, -0.0004828100000000, 0.0002487900000000 ] - [ 0.0002385100000000, -0.0002303100000000, 0.0003736000000000 ] - [ -0.0000822800000000, 0.0001443700000000, -0.0001094700000000 ] - [ 0.0002289400000000, 0.0001382900000000, 0.0008229400000000 ] - [ -0.0000163300000000, 0.0003112300000000, 0.0001080900000000 ] - [ 0.0001805300000000, 0.0001538600000000, 0.0006954400000000 ] - [ -0.0016568000000000, 0.0005562100000000, 0.0019451400000000 ] - [ 0.0010149200000000, 0.0000555900000000, -0.0004644200000000 ] - [ 0.0001976600000000, 0.0000068900000000, 0.0002053400000000 ] - [ 0.0002682900000000, 0.0000423800000000, 0.0001596900000000 ] - [ -0.0009477300000000, 0.0001611300000000, -0.0005052900000000 ] - [ 0.0000409800000000, 0.0000322400000000, -0.0000552000000000 ] - [ -0.0005241800000000, -0.0000702400000000, -0.0003234300000000 ] - [ -0.0002469900000000, 0.0000654700000000, -0.0000707800000000 ] - [ 0.0009635800000000, -0.0003981100000000, -0.0001924000000000 ] - [ -0.0008788800000000, 0.0011778100000000, 0.0004772100000000 ] - [ 0.0009009800000000, 0.0005537800000000, -0.0010909000000000 ] - [ -0.0011452900000000, -0.0010717600000000, 0.0014217700000000 ] - [ -0.1984945800000000, 0.0143133200000000, 0.0060045000000000 ] - [ 0.0050682600000000, 0.0012698000000000, 0.0000486500000000 ] - [ -0.0002678600000000, -0.0001508800000000, -0.0000376100000000 ] - [ 0.0001808900000000, -0.0001331500000000, 0.0001755800000000 ] - [ -0.0002011300000000, -0.0002654000000000, -0.0001443800000000 ] - [ 0.0001622700000000, -0.0000340300000000, 0.0004302300000000 ] - [ 0.0001316100000000, 0.0003685800000000, -0.0026669300000000 ] - [ 0.0006530300000000, -0.0003633800000000, 0.0025690900000000 ] - [ 0.0000816300000000, -0.0081689800000000, 0.0072987300000000 ] - [ 0.0020956600000000, 0.0012532200000000, -0.0015662300000000 ] - [ 0.0000756200000000, 0.0000418400000000, 0.0002219100000000 ] - [ 0.0003042300000000, -0.0007173800000000, -0.0001244700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006341100000000, -0.0004573300000000, -0.0019179300000000 ] - [ 0.0007320800000000, -0.0005623900000000, 0.0001428300000000 ] - [ 0.0004801700000000, 0.0008159000000000, 0.0003146300000000 ] - [ 0.0004620500000000, 0.0005177100000000, -0.0001111000000000 ] - [ -0.0002712300000000, -0.0000912800000000, -0.0000609100000000 ] - [ 0.0005296700000000, 0.0004195600000000, 0.0006796600000000 ] - [ 0.0000351400000000, 0.0002933800000000, -0.0001945700000000 ] - [ -0.0003147200000000, 0.0008719300000000, -0.0007966000000000 ] - [ -0.0102886700000000, 0.0032995400000000, -0.0073965500000000 ] - [ 0.0010949500000000, -0.0015206600000000, 0.0005597800000000 ] - [ 0.0003197600000000, 0.0015590400000000, -0.0010197900000000 ] - [ 0.0002672200000000, 0.0010367200000000, -0.0007592500000000 ] - [ 0.0005463700000000, 0.0005593400000000, -0.0001186600000000 ] - [ 0.0007238800000000, 0.0011855200000000, 0.0005664200000000 ] - [ 0.0004857700000000, -0.0001884500000000, 0.0000936600000000 ] - [ 0.0001428000000000, -0.0004886900000000, -0.0017008500000000 ] - [ -0.0000363500000000, 0.0010261900000000, 0.0003740700000000 ] - [ 0.0000746200000000, 0.0007944900000000, 0.0003364800000000 ] - [ 0.0115900300000000, -0.0033138600000000, 0.0019824500000000 ] - [ -0.0012328700000000, -0.0014246800000000, 0.0005108600000000 ] - [ -0.0000317600000000, -0.0014885300000000, 0.0007890500000000 ] - [ 0.0000488400000000, -0.0017941200000000, -0.0001666300000000 ] - [ -0.0002898000000000, 0.0007540400000000, 0.0000649700000000 ] - [ -0.0002960200000000, 0.0009432100000000, 0.0001272100000000 ] - [ 0.0248544100000000, -0.0344353700000000, 0.0007920100000000 ] - [ 0.0006807400000000, -0.0015217500000000, 0.0001246900000000 ] - [ 0.0005314400000000, 0.0001947000000000, 0.0001106000000000 ] - [ 0.0005772500000000, -0.0000782100000000, 0.0001477100000000 ] - [ 0.0006925800000000, 0.0011493500000000, 0.0001375300000000 ] - [ 0.0007779000000000, 0.0012872100000000, 0.0001826600000000 ] - [ 0.0004991800000000, -0.0003602700000000, 0.0003232400000000 ] - [ 0.0005381100000000, -0.0000787100000000, 0.0001161600000000 ] - [ -0.0069197400000000, -0.0059649700000000, 0.0031689300000000 ] - [ -0.0006484400000000, -0.0012074300000000, -0.0000927800000000 ] - [ -0.0005814700000000, 0.0009652100000000, -0.0000358900000000 ] - [ -0.0006099000000000, 0.0009020700000000, 0.0000127200000000 ] - [ -0.0004855400000000, 0.0004251300000000, -0.0003200000000000 ] - [ -0.0006534400000000, 0.0003514600000000, -0.0000260200000000 ] - [ -0.0016992500000000, -0.0007060200000000, 0.0028250800000000 ] - [ -0.0002951600000000, -0.0007523700000000, -0.0000752700000000 ] - [ -0.0010009900000000, 0.0014560300000000, -0.0011572800000000 ] - [ 0.0003532900000000, 0.0001915500000000, 0.0000944800000000 ] - [ 0.0011050400000000, 0.0023416600000000, 0.0008495900000000 ] - [ -0.0000600200000000, 0.0005904500000000, -0.0000326700000000 ] - [ -0.0007348100000000, -0.0000002200000000, 0.0001536100000000 ] - [ -0.0008951900000000, 0.0008082100000000, 0.0009526600000000 ] - [ -0.0008697300000000, 0.0000054200000000, 0.0001772200000000 ] - [ -0.0006606900000000, 0.0008035200000000, -0.0006350400000000 ] - [ 0.0002703900000000, 0.0003997800000000, -0.0000151000000000 ] - [ 0.0010670900000000, 0.0014125300000000, 0.0006088800000000 ] - [ 0.0008424400000000, 0.0001773700000000, -0.0003423900000000 ] - [ -0.0006530600000000, 0.0022646500000000, -0.0014137100000000 ] - [ -0.0028310000000000, 0.0008116300000000, -0.0006148300000000 ] - [ 0.0011462300000000, 0.0000897200000000, -0.0008643200000000 ] - [ -0.0004956000000000, 0.0008423400000000, 0.0002539600000000 ] - [ -0.0011705800000000, 0.0007172700000000, 0.0003211600000000 ] - [ 0.0006815300000000, -0.0008532900000000, -0.0008273400000000 ] - [ -0.0011578700000000, -0.0000746900000000, -0.0003620100000000 ] - [ -0.0006221300000000, -0.0006723700000000, -0.0001382900000000 ] - [ -0.0000410000000000, -0.0005522700000000, -0.0003125200000000 ] - [ 0.0002171700000000, -0.0004964300000000, 0.0002146200000000 ] - [ 0.0001429500000000, -0.0006751400000000, 0.0002176300000000 ] - [ -0.0000763600000000, 0.0008037100000000, 0.0007210700000000 ] - [ -0.0006318300000000, 0.0033988000000000, -0.0007497500000000 ] - [ 0.0001444200000000, 0.0016522500000000, -0.0003283200000000 ] - [ 0.0003156800000000, 0.0032521000000000, -0.0005132000000000 ] - [ -0.0000657600000000, -0.0004071600000000, -0.0002825700000000 ] - [ -0.0000254200000000, -0.0004180600000000, -0.0002828300000000 ] - [ -0.0000193800000000, -0.0004840800000000, -0.0002069100000000 ] - [ 0.0001057500000000, -0.0006378300000000, -0.0002704800000000 ] - [ 0.0002151400000000, 0.0002960200000000, -0.0002772200000000 ] - [ -0.0013447500000000, 0.0005519500000000, 0.0022675000000000 ] - [ -0.0000841000000000, 0.0008560000000000, 0.0002479100000000 ] - [ 0.0000017600000000, 0.0008133900000000, -0.0025019700000000 ] - [ -0.0000286200000000, -0.0001726300000000, -0.0000018500000000 ] - [ -0.0001090100000000, -0.0003675300000000, 0.0001182000000000 ] - [ 0.0001282600000000, -0.0008816200000000, -0.0000188700000000 ] - [ -0.0003417200000000, -0.0008461100000000, 0.0001699700000000 ] - [ -0.0008919600000000, -0.0008346500000000, -0.0003195800000000 ] - [ 0.0009926000000000, -0.0006490400000000, -0.0004755800000000 ] - [ 0.0002705500000000, 0.0002856400000000, -0.0003984600000000 ] - [ -0.0001011000000000, 0.0007343500000000, -0.0000616200000000 ] - [ -0.0000495000000000, -0.0008020700000000, -0.0001054900000000 ] - [ -0.0000130200000000, -0.0009033400000000, -0.0001102000000000 ] - [ 0.0000893200000000, -0.0007341200000000, -0.0000537400000000 ] - [ 0.0000208700000000, -0.0000426800000000, -0.0001489000000000 ] - [ -0.0000843800000000, -0.0012602400000000, -0.0015086800000000 ] - [ -0.0000953100000000, 0.0005022100000000, -0.0000893200000000 ] - [ -0.0009585200000000, -0.0000384200000000, 0.0005951100000000 ] - [ 0.0003426400000000, 0.0000161800000000, 0.0002047400000000 ] - [ 0.0000854500000000, -0.0012160100000000, 0.0002865000000000 ] - [ -0.0000635700000000, -0.0006038300000000, 0.0003719900000000 ] - [ 0.0001456400000000, 0.0000244300000000, 0.0002855300000000 ] - [ -0.0000455500000000, 0.0000015200000000, 0.0005101600000000 ] - [ -0.0001018500000000, 0.0000833800000000, 0.0004840400000000 ] - [ 0.0001374200000000, 0.0001487900000000, 0.0003406100000000 ] - [ -0.0000680600000000, 0.0023752400000000, -0.0005427400000000 ] - [ 0.0001219600000000, 0.0008220700000000, 0.0002486600000000 ] - [ 0.0002801300000000, -0.0004316400000000, 0.0001540100000000 ] - [ 0.0002746700000000, -0.0003276300000000, 0.0001324100000000 ] - [ -0.0005440000000000, -0.0002998500000000, 0.0004180400000000 ] - [ -0.0002329400000000, -0.0000528700000000, -0.0003898700000000 ] - [ -0.0002526900000000, -0.0003200000000000, -0.0006161500000000 ] - [ -0.0004471000000000, -0.0000903900000000, -0.0000918600000000 ] - [ 0.0002601200000000, -0.0001605200000000, -0.0001655400000000 ] - [ -0.0001267900000000, -0.0011366600000000, -0.0012381600000000 ] - [ 0.0001151600000000, -0.0000371900000000, 0.0001827700000000 ] - [ 0.0003301300000000, -0.0010840600000000, 0.0022647900000000 ] - [ -0.0151283300000000, 0.0322766000000000, 0.0017623100000000 ] - [ 0.0001103800000000, 0.0022946300000000, -0.0001706800000000 ] - [ 0.0000371700000000, -0.0014074600000000, 0.0003119200000000 ] - [ -0.0000255400000000, -0.0010728200000000, 0.0001356800000000 ] - [ -0.0000726000000000, -0.0009933300000000, 0.0002693400000000 ] - [ -0.0001178500000000, -0.0013649300000000, -0.0002221100000000 ] - [ 0.0003695600000000, 0.0016344100000000, -0.0017796000000000 ] - [ -0.0000192700000000, 0.0013667400000000, 0.0008910500000000 ] - [ 0.0011342800000000, -0.0039153400000000, 0.0044859900000000 ] - [ -0.0013937300000000, 0.0006933400000000, -0.0006627800000000 ] - [ -0.0002508500000000, -0.0022137800000000, -0.0002154700000000 ] - [ 0.0004842500000000, -0.0011802000000000, 0.0001212500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003420400000000, 0.0004427200000000, 0.0016948400000000 ] - [ 0.0002489700000000, 0.0005457200000000, -0.0003816900000000 ] - [ 0.0004948500000000, -0.0008243200000000, -0.0005378600000000 ] - [ 0.0005150500000000, -0.0005247600000000, -0.0001128000000000 ] - [ 0.0003318100000000, -0.0002072300000000, -0.0001435400000000 ] - [ -0.0004749600000000, -0.0007045900000000, -0.0008768400000000 ] - [ 0.0000207100000000, -0.0005791800000000, -0.0000086300000000 ] - [ 0.0003676400000000, -0.0011559000000000, 0.0005958600000000 ] - [ 0.0111231300000000, -0.0031047300000000, 0.0066960000000000 ] - [ -0.0001863900000000, 0.0017489800000000, -0.0012332600000000 ] - [ 0.0005834800000000, -0.0013171000000000, 0.0003369900000000 ] - [ 0.0006408100000000, -0.0008039500000000, 0.0000864300000000 ] - [ 0.0003578000000000, -0.0008052600000000, -0.0005646700000000 ] - [ 0.0001828400000000, -0.0014205200000000, -0.0012395000000000 ] - [ 0.0004234100000000, -0.0000372700000000, -0.0007663000000000 ] - [ 0.0007604200000000, 0.0002431200000000, 0.0010206100000000 ] - [ -0.0002531600000000, -0.0010416800000000, 0.0000761000000000 ] - [ -0.0003549500000000, -0.0007991200000000, 0.0001181100000000 ] - [ -0.0118849700000000, 0.0033609100000000, -0.0015352000000000 ] - [ 0.0009511200000000, 0.0014186600000000, -0.0000600900000000 ] - [ -0.0002438900000000, 0.0014905400000000, -0.0003323700000000 ] - [ -0.0003413300000000, 0.0018165900000000, 0.0006153200000000 ] - [ 0.0000025000000000, -0.0007429400000000, 0.0003862100000000 ] - [ 0.0000166900000000, -0.0009408300000000, 0.0003307300000000 ] - [ -0.0243503600000000, 0.0335378900000000, -0.0003396100000000 ] - [ 0.0006115900000000, 0.0002927700000000, 0.0001868500000000 ] - [ 0.0007603100000000, -0.0014232000000000, 0.0002000800000000 ] - [ 0.0007042900000000, -0.0011497500000000, 0.0001629500000000 ] - [ 0.0005959700000000, 0.0000782600000000, 0.0001727300000000 ] - [ 0.0005009500000000, -0.0000602700000000, 0.0001292200000000 ] - [ 0.0007717900000000, 0.0015932300000000, -0.0000146700000000 ] - [ 0.0007656600000000, 0.0013116400000000, 0.0002005000000000 ] - [ 0.0057917600000000, 0.0064324200000000, -0.0033215500000000 ] - [ -0.0005212700000000, 0.0017356300000000, -0.0000344000000000 ] - [ -0.0005944500000000, -0.0004339900000000, -0.0000853800000000 ] - [ -0.0005601400000000, -0.0003760100000000, -0.0001454300000000 ] - [ -0.0006889300000000, -0.0009559300000000, 0.0001936700000000 ] - [ -0.0005163100000000, -0.0008787600000000, -0.0001074600000000 ] - [ 0.0005340600000000, 0.0001913700000000, -0.0029756600000000 ] - [ -0.0008803800000000, 0.0002208900000000, -0.0000350800000000 ] - [ 0.0010378500000000, -0.0011779500000000, 0.0009466400000000 ] - [ -0.0002897200000000, 0.0001022000000000, -0.0002941100000000 ] - [ -0.0010613000000000, -0.0020647600000000, -0.0010602300000000 ] - [ 0.0001173200000000, -0.0003012300000000, -0.0001709900000000 ] - [ -0.0009591300000000, -0.0002881600000000, 0.0002578400000000 ] - [ -0.0007999200000000, -0.0010913000000000, -0.0005361100000000 ] - [ -0.0008227700000000, -0.0002887900000000, 0.0002336900000000 ] - [ -0.0010295400000000, -0.0010906600000000, 0.0010521900000000 ] - [ 0.0007083200000000, -0.0003947600000000, -0.0002135800000000 ] - [ -0.0000879600000000, -0.0013970500000000, -0.0008206200000000 ] - [ 0.0001363900000000, -0.0001636300000000, 0.0001149700000000 ] - [ 0.0016356000000000, -0.0022686400000000, 0.0012005600000000 ] - [ 0.0011376600000000, -0.0005337100000000, 0.0010307300000000 ] - [ -0.0028385600000000, 0.0001898200000000, 0.0012650500000000 ] - [ -0.0012013300000000, -0.0005568800000000, 0.0001563200000000 ] - [ -0.0005236600000000, -0.0004322800000000, 0.0000882900000000 ] - [ -0.0013972400000000, 0.0006613700000000, 0.0003121600000000 ] - [ 0.0004285300000000, -0.0001243200000000, -0.0001510900000000 ] - [ -0.0000987000000000, 0.0004716600000000, -0.0003753800000000 ] - [ -0.0006852300000000, 0.0003524400000000, -0.0002000900000000 ] - [ 0.0002439800000000, 0.0003060100000000, 0.0001515900000000 ] - [ 0.0003171900000000, 0.0004835900000000, 0.0001484600000000 ] - [ 0.0005269400000000, -0.0010022300000000, -0.0003498500000000 ] - [ 0.0011580300000000, -0.0036113200000000, 0.0011588200000000 ] - [ -0.0001621400000000, -0.0014792000000000, -0.0001868100000000 ] - [ -0.0003297800000000, -0.0030840300000000, 0.0000173300000000 ] - [ 0.0000566000000000, 0.0005777900000000, -0.0002265600000000 ] - [ 0.0000159000000000, 0.0005883900000000, -0.0002252800000000 ] - [ 0.0000091700000000, 0.0003133800000000, -0.0003016200000000 ] - [ -0.0001141400000000, 0.0004663400000000, -0.0002388700000000 ] - [ -0.0002267500000000, -0.0004686900000000, -0.0002322100000000 ] - [ 0.0013415400000000, -0.0007426500000000, -0.0027745000000000 ] - [ -0.0000451700000000, -0.0003301200000000, -0.0001699500000000 ] - [ -0.0001206100000000, -0.0002765400000000, 0.0025789300000000 ] - [ -0.0000992300000000, 0.0006962800000000, 0.0000803400000000 ] - [ -0.0000179400000000, 0.0008924700000000, -0.0000405100000000 ] - [ -0.0002546300000000, 0.0003585700000000, 0.0000973300000000 ] - [ 0.0002127100000000, 0.0003193600000000, -0.0000903900000000 ] - [ 0.0007670400000000, 0.0003004300000000, 0.0003949000000000 ] - [ -0.0011250400000000, 0.0001231200000000, 0.0005573800000000 ] - [ -0.0003029500000000, -0.0009387100000000, 0.0001846400000000 ] - [ 0.0000708200000000, -0.0013895400000000, -0.0001650100000000 ] - [ 0.0000215500000000, 0.0001455200000000, -0.0001179300000000 ] - [ -0.0000161900000000, 0.0002473600000000, -0.0001136600000000 ] - [ -0.0001161200000000, 0.0013854000000000, -0.0001688300000000 ] - [ -0.0000506100000000, 0.0006984500000000, -0.0000754200000000 ] - [ 0.0000304400000000, 0.0017406900000000, 0.0012453500000000 ] - [ 0.0000636100000000, 0.0001513000000000, -0.0001350600000000 ] - [ 0.0010270700000000, -0.0002961000000000, 0.0000678400000000 ] - [ -0.0003008500000000, -0.0005775000000000, 0.0004945800000000 ] - [ -0.0000417800000000, 0.0006566100000000, 0.0004133900000000 ] - [ 0.0001082600000000, 0.0000387100000000, 0.0003272500000000 ] - [ -0.0001002000000000, 0.0005405200000000, 0.0004149300000000 ] - [ 0.0000894400000000, 0.0005630900000000, 0.0001880100000000 ] - [ 0.0001483300000000, 0.0004777700000000, 0.0002157300000000 ] - [ -0.0000935000000000, 0.0004120800000000, 0.0003587400000000 ] - [ 0.0005261400000000, -0.0021908300000000, 0.0008944200000000 ] - [ 0.0003393500000000, -0.0006329000000000, 0.0001175400000000 ] - [ 0.0001801300000000, 0.0006217700000000, 0.0002126700000000 ] - [ 0.0001862000000000, 0.0005176600000000, 0.0002340900000000 ] - [ -0.0001793700000000, 0.0004994400000000, -0.0009253400000000 ] - [ -0.0004917500000000, 0.0002537900000000, -0.0001244100000000 ] - [ -0.0004724700000000, 0.0005187700000000, 0.0001069500000000 ] - [ -0.0002773500000000, 0.0002882200000000, -0.0004220400000000 ] - [ 0.0001232600000000, 0.0007760400000000, 0.0001400600000000 ] - [ 0.0005116600000000, 0.0017436000000000, 0.0012056000000000 ] - [ 0.0002736600000000, 0.0006392700000000, -0.0002078600000000 ] - [ 0.0000642100000000, 0.0016944900000000, -0.0023122200000000 ] - [ 0.0158112100000000, -0.0325046800000000, -0.0015997700000000 ] - [ -0.0001907800000000, -0.0022621300000000, 0.0003498600000000 ] - [ -0.0001111500000000, 0.0014375400000000, -0.0001297200000000 ] - [ -0.0000515200000000, 0.0011038200000000, 0.0000443000000000 ] - [ -0.0000056200000000, 0.0009698800000000, -0.0000801200000000 ] - [ 0.0000477700000000, 0.0013356800000000, 0.0004008500000000 ] - [ -0.0004403800000000, -0.0016688400000000, 0.0019713800000000 ] - [ -0.0000597400000000, -0.0013986800000000, -0.0007067300000000 ] - [ -0.0007449700000000, 0.0033305800000000, -0.0045290800000000 ] - [ 0.0017737900000000, -0.0013034000000000, 0.0006405800000000 ] - [ 0.0006415600000000, 0.0016015400000000, 0.0001942200000000 ] - [ -0.0000996300000000, 0.0005653700000000, -0.0001457400000000 ]- atom: 25 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0012613700000000, -0.0002763500000000, -0.0007011600000000 ] - [ -0.0003340800000000, 0.0003170400000000, 0.0018141400000000 ] - [ 0.0006124200000000, 0.0000812300000000, -0.0001124800000000 ] - [ 0.0003953700000000, 0.0000469200000000, 0.0000401600000000 ] - [ -0.0008605100000000, 0.0007611100000000, 0.0002962800000000 ] - [ 0.0007378500000000, 0.0003269900000000, -0.0005335200000000 ] - [ -0.0000555600000000, -0.0001067100000000, 0.0001170600000000 ] - [ 0.0002029100000000, -0.0001741600000000, -0.0003356700000000 ] - [ 0.0039643300000000, 0.0029564300000000, -0.0073735200000000 ] - [ -0.0012832700000000, -0.0007200900000000, -0.0003246300000000 ] - [ 0.0004968000000000, 0.0002015900000000, -0.0004016300000000 ] - [ 0.0003776900000000, 0.0002469600000000, -0.0004100700000000 ] - [ 0.0004356900000000, 0.0002554700000000, -0.0000161900000000 ] - [ 0.0005907300000000, 0.0000636300000000, -0.0003202600000000 ] - [ 0.0003256300000000, 0.0003902600000000, 0.0011203200000000 ] - [ 0.0010431200000000, -0.0007025900000000, -0.0007878200000000 ] - [ -0.0000767600000000, 0.0000836400000000, 0.0002113400000000 ] - [ -0.0002112600000000, -0.0000608200000000, 0.0001840900000000 ] - [ -0.0044235600000000, -0.0040570500000000, -0.0075801400000000 ] - [ -0.0030108500000000, 0.0004159400000000, -0.0008582200000000 ] - [ -0.0008068800000000, -0.0004382300000000, 0.0020582100000000 ] - [ 0.0013593400000000, -0.0008103100000000, 0.0016585800000000 ] - [ -0.0001550300000000, 0.0000856000000000, 0.0002881200000000 ] - [ -0.0001447500000000, 0.0000696600000000, 0.0002305600000000 ] - [ 0.1434046600000000, -0.0142122800000000, -0.0280990800000000 ] - [ -0.0015090300000000, -0.0006544600000000, -0.0000422500000000 ] - [ 0.0007131300000000, -0.0005817100000000, 0.0001236400000000 ] - [ 0.0005602900000000, -0.0005826600000000, 0.0001391300000000 ] - [ 0.0006306500000000, 0.0006543000000000, 0.0002632100000000 ] - [ 0.0006827900000000, 0.0006659000000000, 0.0001591100000000 ] - [ -0.0010694100000000, 0.0003869700000000, 0.0024567400000000 ] - [ 0.0017092200000000, 0.0005838900000000, -0.0001104300000000 ] - [ -0.0193005200000000, 0.0060895300000000, 0.0081881300000000 ] - [ -0.0014146700000000, -0.0000408200000000, -0.0008379300000000 ] - [ -0.0005798800000000, 0.0002737500000000, -0.0000780800000000 ] - [ -0.0006081200000000, 0.0002998100000000, -0.0001018600000000 ] - [ -0.0005469600000000, -0.0003632600000000, 0.0000789500000000 ] - [ -0.0006474400000000, -0.0002239200000000, -0.0000399700000000 ] - [ -0.0012449100000000, 0.0018060600000000, 0.0035389600000000 ] - [ -0.0008198800000000, -0.0006567200000000, 0.0000426100000000 ] - [ 0.0009263500000000, 0.0004428000000000, -0.0001621700000000 ] - [ -0.0007383000000000, -0.0002780000000000, 0.0000145600000000 ] - [ 0.0005743500000000, 0.0003533200000000, -0.0000833400000000 ] - [ -0.0002451000000000, 0.0003796000000000, -0.0000064800000000 ] - [ -0.0013036600000000, -0.0001318900000000, 0.0001230700000000 ] - [ -0.0001811300000000, 0.0006681900000000, 0.0001058200000000 ] - [ -0.0010082200000000, -0.0000311300000000, 0.0003291100000000 ] - [ -0.0003648300000000, -0.0007762500000000, -0.0000167000000000 ] - [ 0.0001229700000000, 0.0003358500000000, -0.0001807200000000 ] - [ 0.0006445500000000, -0.0003367800000000, -0.0008938600000000 ] - [ -0.0000207600000000, -0.0005270200000000, 0.0003222600000000 ] - [ 0.0008881000000000, 0.0006908700000000, -0.0011103700000000 ] - [ -0.0008344800000000, 0.0005721800000000, -0.0000841100000000 ] - [ -0.0025689000000000, -0.0018437100000000, 0.0014239200000000 ] - [ -0.0006973000000000, -0.0000197300000000, 0.0001649100000000 ] - [ -0.0009758600000000, 0.0004138400000000, 0.0002375900000000 ] - [ -0.0002017200000000, -0.0019073400000000, 0.0003196100000000 ] - [ -0.0000717700000000, 0.0003842400000000, 0.0001809900000000 ] - [ -0.0003763600000000, 0.0000698900000000, -0.0002479200000000 ] - [ -0.0003254200000000, -0.0002266000000000, -0.0001748400000000 ] - [ 0.0002460800000000, -0.0001808600000000, 0.0001785200000000 ] - [ 0.0002070500000000, -0.0000827900000000, 0.0002327500000000 ] - [ 0.0022134600000000, 0.0011525900000000, -0.0003763500000000 ] - [ -0.0015060000000000, -0.0002454100000000, 0.0023620400000000 ] - [ 0.0006598500000000, -0.0001761800000000, 0.0003499800000000 ] - [ -0.0036617500000000, -0.0000215900000000, 0.0050058000000000 ] - [ 0.0000061800000000, 0.0000647700000000, -0.0002550800000000 ] - [ -0.0000221300000000, 0.0000598000000000, -0.0002610000000000 ] - [ 0.0000229400000000, -0.0001291500000000, -0.0002431800000000 ] - [ -0.0000167200000000, -0.0001748300000000, -0.0002684400000000 ] - [ 0.0001466900000000, -0.0001811700000000, -0.0002633300000000 ] - [ 0.0001814300000000, 0.0028678100000000, -0.0029274600000000 ] - [ 0.0003322500000000, 0.0004650700000000, -0.0001504100000000 ] - [ -0.0014725000000000, -0.0019761300000000, -0.0025410500000000 ] - [ -0.0000612400000000, 0.0002179900000000, 0.0000248100000000 ] - [ -0.0000685300000000, 0.0002911300000000, 0.0000217200000000 ] - [ -0.0000523500000000, -0.0004038600000000, 0.0001370800000000 ] - [ -0.0000245000000000, 0.0000620900000000, 0.0000596100000000 ] - [ 0.0000455300000000, 0.0005378700000000, 0.0003885500000000 ] - [ 0.0006151400000000, -0.0015175800000000, -0.0000887200000000 ] - [ 0.0011578500000000, -0.0005261100000000, -0.0026715800000000 ] - [ -0.0005403000000000, -0.0002844000000000, 0.0001298600000000 ] - [ 0.0000040400000000, -0.0003618000000000, -0.0001569300000000 ] - [ -0.0000371300000000, -0.0003409900000000, -0.0000926900000000 ] - [ -0.0001909900000000, 0.0004515700000000, -0.0000564800000000 ] - [ 0.0001168000000000, 0.0003591800000000, -0.0000582200000000 ] - [ -0.0021251600000000, -0.0006487600000000, 0.0015869400000000 ] - [ 0.0005600900000000, 0.0002494200000000, -0.0001600600000000 ] - [ -0.0015984600000000, 0.0010609300000000, 0.0022127700000000 ] - [ 0.0006564800000000, -0.0003469100000000, 0.0005041200000000 ] - [ -0.0000555600000000, -0.0004371100000000, 0.0004425000000000 ] - [ 0.0001175000000000, -0.0002526700000000, 0.0003451900000000 ] - [ 0.0001085200000000, 0.0000386200000000, -0.0001163100000000 ] - [ -0.0000300300000000, 0.0002674900000000, 0.0003885800000000 ] - [ 0.0003046000000000, 0.0004014700000000, 0.0000524100000000 ] - [ -0.0001219600000000, 0.0002854000000000, 0.0004230400000000 ] - [ -0.0027016900000000, -0.0003510900000000, -0.0018184400000000 ] - [ 0.0012113800000000, 0.0000254100000000, -0.0007958700000000 ] - [ 0.0002050400000000, 0.0000692900000000, 0.0001816500000000 ] - [ 0.0002624900000000, 0.0000782300000000, 0.0001478900000000 ] - [ -0.0005429400000000, 0.0004451100000000, -0.0006973000000000 ] - [ -0.0002738100000000, -0.0000592100000000, -0.0004464600000000 ] - [ -0.0004723100000000, -0.0002707400000000, -0.0003703400000000 ] - [ -0.0002879300000000, 0.0002275900000000, -0.0003042000000000 ] - [ 0.0008395800000000, -0.0003943600000000, -0.0000435400000000 ] - [ -0.0006089700000000, -0.0002001200000000, 0.0007633400000000 ] - [ 0.0004521300000000, 0.0001468300000000, -0.0008792300000000 ] - [ -0.0006698600000000, 0.0006140600000000, 0.0010651100000000 ] - [ -0.1126144400000000, 0.0087713500000000, 0.0274135500000000 ] - [ 0.0029156400000000, 0.0007133400000000, 0.0011714800000000 ] - [ -0.0001207800000000, -0.0000608600000000, 0.0001435900000000 ] - [ 0.0000582200000000, -0.0000302400000000, 0.0001666500000000 ] - [ -0.0000434700000000, -0.0001389600000000, -0.0002073300000000 ] - [ -0.0000453600000000, -0.0001210000000000, 0.0000320700000000 ] - [ 0.0015544600000000, 0.0003620700000000, -0.0036759600000000 ] - [ -0.0012441000000000, 0.0011842100000000, 0.0001261700000000 ] - [ -0.0005324200000000, -0.0018405100000000, 0.0014064300000000 ] - [ 0.0025904200000000, 0.0005817000000000, -0.0016547200000000 ] - [ -0.0000755600000000, -0.0003795300000000, 0.0000471500000000 ] - [ 0.0003839400000000, -0.0005503500000000, -0.0001364400000000 ]- atom: 25 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0002847900000000, 0.0002665100000000, 0.0004878500000000 ] - [ 0.0013280500000000, -0.0003233400000000, -0.0020470700000000 ] - [ 0.0003659000000000, -0.0000859400000000, -0.0000989100000000 ] - [ 0.0005879200000000, -0.0000549800000000, -0.0002610900000000 ] - [ 0.0009088600000000, -0.0010368100000000, -0.0005047100000000 ] - [ -0.0006796800000000, -0.0006181000000000, 0.0003300700000000 ] - [ 0.0001158100000000, -0.0001876300000000, -0.0003197600000000 ] - [ -0.0001438200000000, -0.0001153000000000, 0.0001343200000000 ] - [ -0.0029797600000000, -0.0027988800000000, 0.0067587600000000 ] - [ 0.0022028700000000, 0.0009625700000000, -0.0003434700000000 ] - [ 0.0004085000000000, 0.0000407500000000, -0.0002785100000000 ] - [ 0.0005289200000000, -0.0000096400000000, -0.0002647900000000 ] - [ 0.0004695000000000, -0.0004889400000000, -0.0006583200000000 ] - [ 0.0003144400000000, -0.0003081500000000, -0.0003614000000000 ] - [ 0.0005739900000000, -0.0006450000000000, -0.0018150700000000 ] - [ -0.0001356700000000, 0.0004684900000000, 0.0001114600000000 ] - [ -0.0002065000000000, -0.0000886900000000, 0.0002431700000000 ] - [ -0.0000749200000000, 0.0000509300000000, 0.0002702800000000 ] - [ 0.0041966500000000, 0.0040572200000000, 0.0079811900000000 ] - [ 0.0027447400000000, -0.0004268400000000, 0.0013317800000000 ] - [ 0.0005119100000000, 0.0004466200000000, -0.0016120800000000 ] - [ -0.0016292200000000, 0.0008060100000000, -0.0011978600000000 ] - [ -0.0001274100000000, -0.0000851700000000, 0.0001694500000000 ] - [ -0.0001457700000000, -0.0000496100000000, 0.0002193200000000 ] - [ -0.1389544900000000, 0.0124687400000000, 0.0294749100000000 ] - [ 0.0027945800000000, -0.0005675400000000, 0.0003519700000000 ] - [ 0.0005689200000000, -0.0006405700000000, 0.0001864100000000 ] - [ 0.0007289100000000, -0.0006408400000000, 0.0001709400000000 ] - [ 0.0006453300000000, 0.0005689700000000, 0.0000466100000000 ] - [ 0.0006154300000000, 0.0005595700000000, 0.0001515700000000 ] - [ 0.0023607000000000, 0.0008278500000000, -0.0021539900000000 ] - [ -0.0004392900000000, 0.0006385700000000, 0.0004240800000000 ] - [ 0.0178141700000000, -0.0054434500000000, -0.0081892800000000 ] - [ 0.0002342900000000, 0.0005692200000000, 0.0007111800000000 ] - [ -0.0005973900000000, 0.0002548500000000, -0.0000557000000000 ] - [ -0.0005723500000000, 0.0002304800000000, -0.0000241900000000 ] - [ -0.0006304400000000, -0.0001633800000000, -0.0002181400000000 ] - [ -0.0005333500000000, -0.0003101200000000, -0.0000769700000000 ] - [ 0.0000532100000000, -0.0023594500000000, -0.0036698100000000 ] - [ -0.0003495900000000, 0.0001309600000000, -0.0001823900000000 ] - [ -0.0008734300000000, -0.0001688100000000, -0.0000370100000000 ] - [ 0.0008021200000000, 0.0005754800000000, -0.0002146400000000 ] - [ -0.0005238100000000, -0.0000693100000000, -0.0001219500000000 ] - [ 0.0003005300000000, -0.0000970900000000, -0.0001999900000000 ] - [ -0.0003874700000000, -0.0001469800000000, 0.0002897300000000 ] - [ -0.0015135400000000, -0.0009486000000000, 0.0003047000000000 ] - [ -0.0006903500000000, -0.0002509800000000, 0.0000828200000000 ] - [ -0.0013312800000000, 0.0004958800000000, 0.0004256800000000 ] - [ 0.0008578700000000, -0.0003268200000000, -0.0000409200000000 ] - [ 0.0003398100000000, 0.0003466500000000, 0.0006607400000000 ] - [ 0.0010103600000000, 0.0005382000000000, -0.0005578400000000 ] - [ 0.0000905500000000, -0.0006745900000000, 0.0008837800000000 ] - [ -0.0008443200000000, -0.0003052700000000, 0.0005063000000000 ] - [ 0.0008681900000000, 0.0021443200000000, -0.0010088800000000 ] - [ -0.0009869600000000, 0.0003012000000000, 0.0002474700000000 ] - [ -0.0007159100000000, -0.0001348200000000, 0.0001750000000000 ] - [ -0.0005275400000000, 0.0017063000000000, -0.0008206000000000 ] - [ -0.0006502100000000, -0.0005860800000000, -0.0006962400000000 ] - [ -0.0003490000000000, -0.0002709500000000, -0.0002625700000000 ] - [ -0.0003976900000000, 0.0000273500000000, -0.0003381500000000 ] - [ 0.0002138300000000, -0.0000100700000000, 0.0001885800000000 ] - [ 0.0002535100000000, -0.0001075000000000, 0.0001327000000000 ] - [ -0.0017561400000000, -0.0013367300000000, 0.0007523700000000 ] - [ 0.0019650300000000, 0.0000619100000000, -0.0020081900000000 ] - [ -0.0006808200000000, 0.0003462100000000, -0.0008599200000000 ] - [ 0.0040487300000000, 0.0002141100000000, -0.0058851700000000 ] - [ -0.0000158700000000, 0.0001059900000000, -0.0002526600000000 ] - [ 0.0000135600000000, 0.0001108500000000, -0.0002482600000000 ] - [ -0.0000314600000000, -0.0000415400000000, -0.0002654900000000 ] - [ 0.0000069700000000, 0.0000045900000000, -0.0002400800000000 ] - [ -0.0001530000000000, 0.0000117600000000, -0.0002453100000000 ] - [ -0.0002030800000000, -0.0030264000000000, 0.0024261400000000 ] - [ -0.0004546100000000, 0.0000560600000000, 0.0002284500000000 ] - [ 0.0013294400000000, 0.0024950600000000, 0.0026275300000000 ] - [ -0.0000654700000000, 0.0003067800000000, 0.0000541500000000 ] - [ -0.0000592300000000, 0.0002324100000000, 0.0000585900000000 ] - [ -0.0000770300000000, -0.0001175900000000, -0.0000560300000000 ] - [ -0.0001012400000000, -0.0005883500000000, 0.0000180300000000 ] - [ -0.0001778700000000, -0.0010704400000000, -0.0003134800000000 ] - [ -0.0007432900000000, 0.0010042400000000, 0.0001647800000000 ] - [ -0.0011866300000000, -0.0001338600000000, 0.0024507400000000 ] - [ 0.0005121800000000, -0.0003725400000000, -0.0003558000000000 ] - [ -0.0000326500000000, -0.0002931000000000, -0.0000659900000000 ] - [ 0.0000086900000000, -0.0003144400000000, -0.0001313600000000 ] - [ 0.0001633300000000, 0.0002060800000000, -0.0001670300000000 ] - [ -0.0001461500000000, 0.0002948400000000, -0.0001662400000000 ] - [ 0.0021062400000000, 0.0012870300000000, -0.0018234000000000 ] - [ -0.0005936800000000, 0.0004078200000000, -0.0000640100000000 ] - [ 0.0016581300000000, -0.0016058100000000, -0.0015187900000000 ] - [ -0.0006170300000000, -0.0002172200000000, 0.0001989400000000 ] - [ 0.0001012300000000, -0.0001273000000000, 0.0002571700000000 ] - [ -0.0000746400000000, -0.0003099600000000, 0.0003556800000000 ] - [ -0.0000654900000000, 0.0005208600000000, 0.0008174600000000 ] - [ 0.0000752500000000, 0.0002967000000000, 0.0003083500000000 ] - [ -0.0002611100000000, 0.0001646400000000, 0.0006489100000000 ] - [ 0.0001679500000000, 0.0002780800000000, 0.0002761600000000 ] - [ 0.0031806600000000, 0.0005397600000000, 0.0021688900000000 ] - [ -0.0007632100000000, 0.0001667200000000, 0.0011635300000000 ] - [ 0.0002556600000000, 0.0001207300000000, 0.0001836000000000 ] - [ 0.0001972700000000, 0.0001123300000000, 0.0002184900000000 ] - [ -0.0001755800000000, -0.0002478200000000, 0.0001834500000000 ] - [ -0.0004553000000000, 0.0002583900000000, -0.0000654400000000 ] - [ -0.0002497700000000, 0.0004721400000000, -0.0001428400000000 ] - [ -0.0004386500000000, -0.0000280800000000, -0.0002073100000000 ] - [ -0.0004513400000000, 0.0009996600000000, 0.0000224700000000 ] - [ 0.0010003200000000, 0.0008202800000000, -0.0007797800000000 ] - [ -0.0000600500000000, 0.0004785000000000, 0.0008718800000000 ] - [ 0.0010550000000000, -0.0000003500000000, -0.0010778500000000 ] - [ 0.1091278900000000, -0.0083179000000000, -0.0280377300000000 ] - [ -0.0029912800000000, -0.0006897300000000, -0.0010008700000000 ] - [ 0.0000464800000000, 0.0000919100000000, 0.0000407500000000 ] - [ -0.0001357000000000, 0.0000648100000000, 0.0000091300000000 ] - [ -0.0000298700000000, 0.0001049900000000, 0.0003832400000000 ] - [ -0.0000197000000000, 0.0000902200000000, 0.0001546500000000 ] - [ -0.0016159700000000, -0.0003774900000000, 0.0038744800000000 ] - [ 0.0011692500000000, -0.0012098600000000, 0.0000539000000000 ] - [ 0.0009225200000000, 0.0012750600000000, -0.0014842000000000 ] - [ -0.0022119100000000, -0.0012165000000000, 0.0016359100000000 ] - [ 0.0004564400000000, -0.0002373600000000, -0.0000760100000000 ] - [ -0.0000077800000000, -0.0000585300000000, 0.0001108800000000 ]- atom: 33 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0008363200000000, 0.0001833500000000, -0.0005183900000000 ] - [ -0.0009987300000000, -0.0001029700000000, 0.0002997400000000 ] - [ 0.0005609700000000, -0.0000478400000000, -0.0001888600000000 ] - [ 0.0004093400000000, -0.0000131900000000, -0.0000863600000000 ] - [ 0.0015475900000000, -0.0030283700000000, -0.0006780300000000 ] - [ 0.0010992900000000, 0.0014098300000000, -0.0001792300000000 ] - [ -0.0000922200000000, 0.0002637600000000, -0.0002994300000000 ] - [ 0.0001997800000000, -0.0005165300000000, 0.0000387100000000 ] - [ -0.0051040500000000, 0.0021955600000000, -0.0016305200000000 ] - [ 0.0013024600000000, -0.0001354200000000, 0.0001058900000000 ] - [ 0.0004176300000000, 0.0000541700000000, -0.0003067700000000 ] - [ 0.0005025600000000, 0.0001013400000000, -0.0003163700000000 ] - [ 0.0003972600000000, -0.0011873800000000, -0.0009848900000000 ] - [ 0.0005735200000000, 0.0005402300000000, 0.0001181700000000 ] - [ 0.0007242900000000, 0.0007903700000000, -0.0011380500000000 ] - [ 0.0006527700000000, -0.0008333700000000, -0.0001499700000000 ] - [ -0.0002576700000000, -0.0000493200000000, 0.0002555500000000 ] - [ -0.0000403000000000, 0.0000030100000000, 0.0002142700000000 ] - [ -0.0078675100000000, 0.0020230200000000, 0.0035255100000000 ] - [ 0.0014479800000000, 0.0002050600000000, 0.0003229400000000 ] - [ 0.0010211200000000, 0.0012115900000000, -0.0017964300000000 ] - [ 0.0011894900000000, -0.0014385400000000, 0.0020851900000000 ] - [ -0.0001082100000000, -0.0001753400000000, 0.0001260300000000 ] - [ -0.0001588800000000, 0.0001146600000000, 0.0003038400000000 ] - [ 0.0122774500000000, -0.0070120500000000, -0.0145030900000000 ] - [ 0.0036484300000000, -0.0006787700000000, 0.0012044200000000 ] - [ 0.0005469300000000, -0.0006057200000000, 0.0001148600000000 ] - [ 0.0007458500000000, -0.0006404500000000, 0.0002050800000000 ] - [ 0.0004453400000000, 0.0005157500000000, 0.0000728700000000 ] - [ 0.0008233700000000, 0.0006822600000000, 0.0002097000000000 ] - [ -0.0001335500000000, 0.0017249300000000, -0.0011531700000000 ] - [ 0.0014044800000000, 0.0003223000000000, 0.0004007500000000 ] - [ -0.0677700400000000, 0.0193664400000000, 0.0662126500000000 ] - [ 0.0008555300000000, 0.0002772800000000, -0.0002884300000000 ] - [ -0.0007118600000000, 0.0002593800000000, -0.0000634700000000 ] - [ -0.0004682700000000, 0.0002474500000000, -0.0000609200000000 ] - [ -0.0005683100000000, -0.0002887400000000, -0.0003485300000000 ] - [ -0.0005866500000000, -0.0002112400000000, 0.0001772100000000 ] - [ -0.0002258800000000, -0.0003131300000000, -0.0018591800000000 ] - [ -0.0005690600000000, -0.0006269400000000, 0.0009180300000000 ] - [ -0.0003622500000000, 0.0004308300000000, -0.0001547200000000 ] - [ 0.0002997400000000, 0.0001842400000000, 0.0001251200000000 ] - [ -0.0001778700000000, -0.0000370100000000, -0.0002419000000000 ] - [ 0.0001169800000000, 0.0001632200000000, -0.0000295100000000 ] - [ 0.0001691500000000, -0.0004962900000000, 0.0002686700000000 ] - [ -0.0016755100000000, 0.0010071400000000, 0.0001229700000000 ] - [ -0.0003245800000000, 0.0000767100000000, 0.0001157900000000 ] - [ -0.0011154100000000, -0.0007207000000000, 0.0002057600000000 ] - [ 0.0007634200000000, -0.0007510500000000, 0.0003446300000000 ] - [ 0.0006600500000000, 0.0005544600000000, -0.0003411900000000 ] - [ 0.0007658900000000, 0.0014580900000000, 0.0000808700000000 ] - [ 0.0006584600000000, -0.0007088400000000, -0.0001065600000000 ] - [ -0.0014394300000000, 0.0002866500000000, 0.0007221100000000 ] - [ -0.0004840900000000, 0.0003895100000000, -0.0005453800000000 ] - [ -0.0009146100000000, 0.0001400600000000, 0.0003132100000000 ] - [ -0.0008214100000000, 0.0001163400000000, 0.0001058000000000 ] - [ 0.0023437500000000, 0.0006667200000000, -0.0005782700000000 ] - [ -0.0009507000000000, -0.0002332300000000, -0.0001997200000000 ] - [ -0.0000908400000000, -0.0001768600000000, -0.0002815200000000 ] - [ -0.0005641400000000, -0.0000409600000000, -0.0002372400000000 ] - [ 0.0003019400000000, 0.0000527100000000, 0.0001417100000000 ] - [ 0.0001587400000000, -0.0001975600000000, 0.0002160600000000 ] - [ 0.0016412500000000, -0.0011054700000000, 0.0003967200000000 ] - [ -0.0015757600000000, 0.0008702400000000, -0.0004494400000000 ] - [ -0.0002662700000000, -0.0001531900000000, -0.0022137300000000 ] - [ -0.0012364400000000, -0.0000668900000000, 0.0011570400000000 ] - [ 0.0000061500000000, 0.0000887700000000, -0.0003130700000000 ] - [ -0.0000133000000000, 0.0000969900000000, -0.0001969700000000 ] - [ -0.0001684100000000, 0.0000052800000000, -0.0002265500000000 ] - [ 0.0001633300000000, -0.0001669300000000, -0.0002802400000000 ] - [ -0.0008999300000000, -0.0002142200000000, -0.0000737400000000 ] - [ 0.0027234600000000, 0.0002204600000000, -0.0007103000000000 ] - [ -0.0014616600000000, 0.0005186700000000, 0.0004997400000000 ] - [ 0.0072840100000000, 0.0027078100000000, 0.0034704000000000 ] - [ -0.0001501200000000, 0.0002139900000000, 0.0000658500000000 ] - [ 0.0000121500000000, 0.0003408300000000, 0.0000128400000000 ] - [ -0.0000123600000000, -0.0001535300000000, -0.0002159700000000 ] - [ -0.0001478000000000, -0.0003609000000000, 0.0001717600000000 ] - [ 0.0000614600000000, -0.0004377600000000, -0.0003930800000000 ] - [ -0.0003428000000000, -0.0000261300000000, 0.0003471700000000 ] - [ 0.0037460100000000, -0.0008688800000000, -0.0024400900000000 ] - [ -0.0008768200000000, -0.0003790600000000, -0.0004064300000000 ] - [ 0.0000704500000000, -0.0003428100000000, -0.0000866200000000 ] - [ -0.0000899800000000, -0.0002961600000000, -0.0001306500000000 ] - [ 0.0001078200000000, 0.0001872200000000, 0.0000088400000000 ] - [ -0.0001158000000000, 0.0004072400000000, -0.0002618400000000 ] - [ 0.0005122800000000, 0.0016800200000000, 0.0004959600000000 ] - [ -0.0003612700000000, 0.0001087100000000, -0.0005202600000000 ] - [ -0.0005353800000000, -0.0022437100000000, 0.0015524700000000 ] - [ -0.0008131400000000, 0.0003273900000000, -0.0004207700000000 ] - [ 0.0000437700000000, -0.0001428600000000, 0.0004426200000000 ] - [ -0.0000363400000000, -0.0003824600000000, 0.0002399000000000 ] - [ 0.0006057000000000, 0.0006058400000000, 0.0005963200000000 ] - [ -0.0002988600000000, 0.0001920400000000, 0.0003238700000000 ] - [ 0.0003812400000000, 0.0002220200000000, 0.0003442600000000 ] - [ -0.0002107000000000, 0.0003624500000000, 0.0003448100000000 ] - [ 0.0004406900000000, 0.0002619200000000, 0.0010914200000000 ] - [ 0.0005502400000000, 0.0001585800000000, -0.0002068800000000 ] - [ 0.0001809700000000, 0.0001032900000000, 0.0002185800000000 ] - [ 0.0002777300000000, 0.0000973200000000, 0.0001521600000000 ] - [ -0.0005550700000000, 0.0001464700000000, 0.0002642800000000 ] - [ -0.0003709900000000, -0.0002041700000000, -0.0007578700000000 ] - [ -0.0004296400000000, 0.0000605000000000, -0.0000565400000000 ] - [ -0.0003197100000000, 0.0002016300000000, -0.0004192200000000 ] - [ -0.0011194200000000, 0.0024044600000000, -0.0004688900000000 ] - [ 0.0002694200000000, -0.0012968500000000, 0.0000827100000000 ] - [ -0.0004144600000000, -0.0008289600000000, 0.0003856000000000 ] - [ 0.0002047500000000, 0.0011267100000000, -0.0001453200000000 ] - [ 0.0517654500000000, -0.0184453300000000, -0.0542071300000000 ] - [ -0.0029338400000000, 0.0001461100000000, 0.0000750600000000 ] - [ 0.0000998800000000, 0.0000483300000000, 0.0000806600000000 ] - [ -0.0001786600000000, 0.0000334700000000, 0.0000876000000000 ] - [ 0.0001618400000000, 0.0004220200000000, 0.0006581400000000 ] - [ -0.0001950700000000, -0.0003404900000000, -0.0002983000000000 ] - [ -0.0002092200000000, -0.0016214100000000, 0.0026815000000000 ] - [ -0.0009903700000000, 0.0013483700000000, -0.0011396700000000 ] - [ 0.0004847500000000, -0.0015432300000000, 0.0005339600000000 ] - [ -0.0001728100000000, -0.0003465400000000, -0.0001293500000000 ] - [ 0.0002620900000000, -0.0001980400000000, 0.0000205300000000 ] - [ 0.0001597200000000, -0.0002997600000000, -0.0000419000000000 ]- atom: 33 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0001461000000000, -0.0002002500000000, 0.0003024800000000 ] - [ 0.0019877700000000, 0.0000906900000000, -0.0005407100000000 ] - [ 0.0004191300000000, 0.0000419700000000, -0.0000382100000000 ] - [ 0.0005764400000000, 0.0000030700000000, -0.0001509500000000 ] - [ -0.0014969500000000, 0.0027555600000000, 0.0004721500000000 ] - [ -0.0010419400000000, -0.0016948300000000, -0.0000265800000000 ] - [ 0.0001472000000000, -0.0005531900000000, 0.0000943000000000 ] - [ -0.0001437100000000, 0.0002254600000000, -0.0002421500000000 ] - [ 0.0060132800000000, -0.0020165700000000, 0.0010470900000000 ] - [ -0.0003902400000000, 0.0003494100000000, -0.0007606900000000 ] - [ 0.0004884500000000, 0.0001859500000000, -0.0003712200000000 ] - [ 0.0004012800000000, 0.0001457800000000, -0.0003684500000000 ] - [ 0.0005048100000000, 0.0009426200000000, 0.0003001100000000 ] - [ 0.0003297400000000, -0.0007849500000000, -0.0008012500000000 ] - [ 0.0001769000000000, -0.0010445300000000, 0.0004545700000000 ] - [ 0.0002515500000000, 0.0005993000000000, -0.0005241000000000 ] - [ -0.0000233600000000, 0.0000415000000000, 0.0002007000000000 ] - [ -0.0002529000000000, -0.0000298800000000, 0.0002344700000000 ] - [ 0.0076045300000000, -0.0019706500000000, -0.0029893700000000 ] - [ -0.0017162400000000, -0.0001936700000000, 0.0001459200000000 ] - [ -0.0013129500000000, -0.0012030900000000, 0.0022634300000000 ] - [ -0.0014592800000000, 0.0014237300000000, -0.0016132900000000 ] - [ -0.0001831100000000, 0.0001961400000000, 0.0003273400000000 ] - [ -0.0001338000000000, -0.0000869900000000, 0.0001458600000000 ] - [ -0.0108528200000000, 0.0056979700000000, 0.0146223500000000 ] - [ -0.0024074000000000, -0.0005463800000000, -0.0008994700000000 ] - [ 0.0007308300000000, -0.0006183700000000, 0.0001968200000000 ] - [ 0.0005544300000000, -0.0005859600000000, 0.0001061400000000 ] - [ 0.0008479400000000, 0.0007120200000000, 0.0002397000000000 ] - [ 0.0004769300000000, 0.0005446300000000, 0.0001026500000000 ] - [ 0.0014313600000000, -0.0005006100000000, 0.0014630100000000 ] - [ -0.0001367000000000, 0.0009014200000000, -0.0000808100000000 ] - [ 0.0667750700000000, -0.0185351600000000, -0.0657991800000000 ] - [ -0.0020221300000000, 0.0002392500000000, 0.0001340800000000 ] - [ -0.0004612700000000, 0.0002685900000000, -0.0000660400000000 ] - [ -0.0007139500000000, 0.0002872300000000, -0.0000468400000000 ] - [ -0.0006122100000000, -0.0002420200000000, 0.0002292200000000 ] - [ -0.0005933100000000, -0.0003218100000000, -0.0002889400000000 ] - [ -0.0009568400000000, -0.0002206900000000, 0.0017410700000000 ] - [ -0.0005979900000000, 0.0001033100000000, -0.0010602100000000 ] - [ 0.0004170600000000, -0.0001490100000000, -0.0000471200000000 ] - [ -0.0002348500000000, 0.0001220400000000, -0.0003243400000000 ] - [ 0.0002303900000000, 0.0003315600000000, 0.0000363000000000 ] - [ -0.0000583800000000, 0.0001314800000000, -0.0001744000000000 ] - [ -0.0018565400000000, 0.0002159000000000, 0.0001428600000000 ] - [ -0.0000245500000000, -0.0012903700000000, 0.0002849300000000 ] - [ -0.0013606800000000, -0.0003590600000000, 0.0002956400000000 ] - [ -0.0005810200000000, 0.0004415300000000, 0.0002041600000000 ] - [ 0.0002191600000000, 0.0007576900000000, -0.0005702700000000 ] - [ 0.0003227600000000, -0.0005431900000000, 0.0001058700000000 ] - [ 0.0002158000000000, -0.0014601700000000, -0.0003094900000000 ] - [ 0.0003194400000000, 0.0007152600000000, -0.0001184500000000 ] - [ -0.0002484100000000, -0.0000091800000000, -0.0003101600000000 ] - [ -0.0012280800000000, -0.0001017700000000, 0.0009583100000000 ] - [ -0.0007764000000000, 0.0001462200000000, 0.0000961200000000 ] - [ -0.0008771700000000, 0.0001676300000000, 0.0003054900000000 ] - [ -0.0030759900000000, -0.0008509800000000, 0.0000721400000000 ] - [ 0.0002268900000000, 0.0000321100000000, -0.0003116200000000 ] - [ -0.0006341600000000, -0.0000239500000000, -0.0002290000000000 ] - [ -0.0001593400000000, -0.0001581700000000, -0.0002741800000000 ] - [ 0.0001585500000000, -0.0002429500000000, 0.0002240100000000 ] - [ 0.0003017300000000, 0.0000075400000000, 0.0001491700000000 ] - [ -0.0013394300000000, 0.0007882700000000, -0.0000408900000000 ] - [ 0.0020344200000000, -0.0010555000000000, 0.0008123900000000 ] - [ 0.0002444400000000, 0.0003275500000000, 0.0017136800000000 ] - [ 0.0012304400000000, 0.0002369600000000, -0.0016661200000000 ] - [ -0.0000163700000000, 0.0000806700000000, -0.0001952500000000 ] - [ 0.0000036500000000, 0.0000724500000000, -0.0003110900000000 ] - [ 0.0001581600000000, -0.0001759000000000, -0.0002813900000000 ] - [ -0.0001726800000000, -0.0000031300000000, -0.0002278400000000 ] - [ 0.0008945200000000, 0.0000467500000000, -0.0004382800000000 ] - [ -0.0027157200000000, -0.0004236500000000, 0.0002219000000000 ] - [ 0.0013432100000000, 0.0000014800000000, -0.0004268800000000 ] - [ -0.0071976500000000, -0.0020346700000000, -0.0031814400000000 ] - [ 0.0000225000000000, 0.0003096600000000, 0.0000132700000000 ] - [ -0.0001397800000000, 0.0001817100000000, 0.0000674300000000 ] - [ -0.0001165800000000, -0.0003682200000000, 0.0002953400000000 ] - [ 0.0000213600000000, -0.0001636400000000, -0.0000927600000000 ] - [ -0.0001950400000000, -0.0000950500000000, 0.0004701700000000 ] - [ 0.0002161200000000, -0.0004959200000000, -0.0002679100000000 ] - [ -0.0038255600000000, 0.0002476900000000, 0.0023545000000000 ] - [ 0.0008430200000000, -0.0002769500000000, 0.0001776800000000 ] - [ -0.0000980000000000, -0.0003132400000000, -0.0001369800000000 ] - [ 0.0000621700000000, -0.0003600700000000, -0.0000935700000000 ] - [ -0.0001351200000000, 0.0004691100000000, -0.0002332200000000 ] - [ 0.0000869900000000, 0.0002467100000000, 0.0000366700000000 ] - [ -0.0005289100000000, -0.0010285800000000, -0.0007209700000000 ] - [ 0.0003313200000000, 0.0005497600000000, 0.0002986900000000 ] - [ 0.0005853300000000, 0.0016765600000000, -0.0008457600000000 ] - [ 0.0008597300000000, -0.0008956700000000, 0.0011264400000000 ] - [ 0.0000020700000000, -0.0004201500000000, 0.0002576300000000 ] - [ 0.0000806000000000, -0.0001795300000000, 0.0004614000000000 ] - [ -0.0005612600000000, -0.0000452000000000, 0.0001047300000000 ] - [ 0.0003430400000000, 0.0003716100000000, 0.0003733800000000 ] - [ -0.0003374500000000, 0.0003400900000000, 0.0003568000000000 ] - [ 0.0002559800000000, 0.0001995700000000, 0.0003543200000000 ] - [ 0.0000292300000000, -0.0000734800000000, -0.0007350400000000 ] - [ -0.0000901900000000, 0.0000328100000000, 0.0005743700000000 ] - [ 0.0002794900000000, 0.0000861200000000, 0.0001461200000000 ] - [ 0.0001830000000000, 0.0000918700000000, 0.0002129900000000 ] - [ -0.0001651000000000, 0.0000523600000000, -0.0007769200000000 ] - [ -0.0003553200000000, 0.0004016000000000, 0.0002447600000000 ] - [ -0.0002937600000000, 0.0001386400000000, -0.0004553300000000 ] - [ -0.0004054800000000, -0.0000029500000000, -0.0000920000000000 ] - [ 0.0015064900000000, -0.0018006100000000, 0.0004502600000000 ] - [ 0.0001272600000000, 0.0019045100000000, -0.0001018000000000 ] - [ 0.0008028600000000, 0.0014410400000000, -0.0004117200000000 ] - [ 0.0001899700000000, -0.0005153800000000, 0.0001219600000000 ] - [ -0.0522200300000000, 0.0182120900000000, 0.0535113900000000 ] - [ 0.0028696400000000, -0.0001178300000000, 0.0001078000000000 ] - [ -0.0001792000000000, -0.0000196800000000, 0.0001050500000000 ] - [ 0.0001002100000000, -0.0000012600000000, 0.0000925200000000 ] - [ -0.0002372100000000, -0.0004526000000000, -0.0004754900000000 ] - [ 0.0001238400000000, 0.0003100100000000, 0.0004826700000000 ] - [ 0.0001363400000000, 0.0016070600000000, -0.0025016200000000 ] - [ 0.0009131200000000, -0.0013714600000000, 0.0013171600000000 ] - [ -0.0001185900000000, 0.0009808400000000, -0.0005877900000000 ] - [ 0.0005619100000000, -0.0002716500000000, 0.0001038300000000 ] - [ 0.0001250400000000, -0.0004148500000000, -0.0000496300000000 ] - [ 0.0002261400000000, -0.0003149100000000, 0.0000193600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006914400000000, -0.0007183100000000, -0.0013667300000000 ] - [ 0.0003968400000000, -0.0004602000000000, 0.0016360900000000 ] - [ 0.0004533300000000, 0.0007105500000000, 0.0001018000000000 ] - [ 0.0004855400000000, 0.0006175200000000, -0.0001625500000000 ] - [ -0.0024514800000000, 0.0012728700000000, 0.0010648600000000 ] - [ 0.0013083800000000, -0.0000063600000000, -0.0001105400000000 ] - [ 0.0000108800000000, 0.0007078700000000, -0.0003997400000000 ] - [ -0.0003472600000000, 0.0006351700000000, -0.0003038800000000 ] - [ 0.0016352800000000, -0.0042337000000000, -0.0080448100000000 ] - [ 0.0007180000000000, -0.0016134900000000, 0.0007680200000000 ] - [ 0.0002649500000000, 0.0014055000000000, -0.0009278200000000 ] - [ 0.0003075700000000, 0.0010613400000000, -0.0007823100000000 ] - [ 0.0004871300000000, 0.0013503300000000, 0.0005624800000000 ] - [ 0.0011011700000000, 0.0011494600000000, 0.0005282900000000 ] - [ 0.0009436500000000, 0.0003112900000000, -0.0007567100000000 ] - [ -0.0003412300000000, 0.0000297000000000, -0.0006714700000000 ] - [ 0.0000701200000000, 0.0010632200000000, 0.0002876100000000 ] - [ -0.0000192400000000, 0.0007336100000000, 0.0003248100000000 ] - [ 0.0005312300000000, 0.0050953900000000, 0.0162161900000000 ] - [ -0.0004332300000000, -0.0007581400000000, 0.0000617300000000 ] - [ 0.0001261500000000, -0.0017638600000000, 0.0001387200000000 ] - [ -0.0005107700000000, -0.0022024600000000, 0.0000168200000000 ] - [ -0.0003350900000000, 0.0009365200000000, 0.0001560000000000 ] - [ -0.0002543200000000, 0.0009171200000000, 0.0001473700000000 ] - [ -0.0046968300000000, -0.0067800400000000, 0.0035325500000000 ] - [ 0.0015330500000000, -0.0020815200000000, 0.0004053300000000 ] - [ 0.0005636200000000, 0.0000897200000000, 0.0001193300000000 ] - [ 0.0005107300000000, 0.0000292400000000, 0.0001108900000000 ] - [ 0.0006874500000000, 0.0013005700000000, 0.0003135000000000 ] - [ 0.0008085400000000, 0.0012283800000000, 0.0002110000000000 ] - [ 0.0017287600000000, 0.0001690300000000, -0.0016246000000000 ] - [ 0.0006964600000000, 0.0001224500000000, 0.0006818300000000 ] - [ 0.0184246700000000, -0.0546331500000000, -0.0613595000000000 ] - [ -0.0005664800000000, -0.0007366300000000, -0.0003357800000000 ] - [ -0.0005880800000000, 0.0010679400000000, -0.0000369600000000 ] - [ -0.0006062600000000, 0.0008850400000000, -0.0000102100000000 ] - [ -0.0005642500000000, 0.0002550800000000, 0.0000063100000000 ] - [ -0.0006477000000000, 0.0002791700000000, -0.0000610200000000 ] - [ -0.0005508600000000, -0.0003570700000000, 0.0001733400000000 ] - [ -0.0002181500000000, -0.0005666800000000, 0.0002530700000000 ] - [ 0.0002010100000000, 0.0001149500000000, -0.0013493600000000 ] - [ -0.0001618900000000, -0.0000151300000000, 0.0001277800000000 ] - [ 0.0001050600000000, 0.0014579300000000, 0.0002752700000000 ] - [ 0.0001760600000000, 0.0007038100000000, -0.0000515100000000 ] - [ -0.0018222500000000, 0.0000280100000000, 0.0001961400000000 ] - [ 0.0015537900000000, 0.0021352500000000, 0.0010051300000000 ] - [ -0.0004277600000000, 0.0002568900000000, 0.0000972700000000 ] - [ -0.0015089600000000, 0.0012604200000000, 0.0001818400000000 ] - [ -0.0009634300000000, 0.0013069300000000, -0.0001830800000000 ] - [ 0.0012103000000000, 0.0004307400000000, -0.0006531600000000 ] - [ 0.0012517900000000, 0.0013067900000000, -0.0004388800000000 ] - [ -0.0000498600000000, 0.0004379300000000, -0.0002026600000000 ] - [ -0.0013224200000000, -0.0003088400000000, -0.0004413400000000 ] - [ -0.0007845500000000, -0.0004152300000000, 0.0006456800000000 ] - [ -0.0008560800000000, 0.0009611400000000, 0.0003039300000000 ] - [ -0.0010029100000000, 0.0006646400000000, 0.0001665800000000 ] - [ 0.0001358700000000, 0.0009082500000000, -0.0005194500000000 ] - [ -0.0004451800000000, 0.0003202700000000, -0.0001053100000000 ] - [ -0.0003640000000000, -0.0008657300000000, -0.0002657500000000 ] - [ -0.0002871000000000, -0.0004676500000000, -0.0003305900000000 ] - [ 0.0002185300000000, -0.0007312600000000, 0.0002280000000000 ] - [ 0.0001417800000000, -0.0005712200000000, 0.0002526400000000 ] - [ -0.0005182300000000, 0.0027591500000000, 0.0010208400000000 ] - [ 0.0009924400000000, 0.0002135200000000, 0.0003153100000000 ] - [ -0.0005260800000000, 0.0020283200000000, -0.0005975200000000 ] - [ 0.0003965200000000, 0.0009153000000000, -0.0004697700000000 ] - [ -0.0000436300000000, -0.0004371100000000, -0.0002663600000000 ] - [ -0.0000423900000000, -0.0003720900000000, -0.0002990700000000 ] - [ 0.0000985900000000, -0.0005475400000000, -0.0002377200000000 ] - [ 0.0000038300000000, -0.0008061900000000, -0.0002938100000000 ] - [ -0.0002928500000000, 0.0002275900000000, -0.0002625900000000 ] - [ 0.0009224600000000, 0.0014915200000000, 0.0005754800000000 ] - [ 0.0003633700000000, 0.0012718400000000, 0.0000227200000000 ] - [ 0.0021962200000000, 0.0041930900000000, 0.0016725900000000 ] - [ -0.0000781600000000, -0.0002900400000000, 0.0000424600000000 ] - [ -0.0000683200000000, -0.0003858200000000, 0.0000908700000000 ] - [ 0.0000918000000000, -0.0009477000000000, 0.0005143100000000 ] - [ -0.0001460000000000, -0.0004865800000000, 0.0000512000000000 ] - [ -0.0007322200000000, -0.0015433600000000, -0.0006170800000000 ] - [ 0.0001660300000000, -0.0004030800000000, 0.0001127000000000 ] - [ -0.0006509900000000, 0.0029940700000000, 0.0011200900000000 ] - [ -0.0002337300000000, 0.0006727800000000, -0.0001173900000000 ] - [ -0.0000323300000000, -0.0009266000000000, -0.0000828800000000 ] - [ -0.0000249800000000, -0.0008853300000000, -0.0001179300000000 ] - [ -0.0001947400000000, -0.0003014200000000, 0.0001075200000000 ] - [ 0.0001650500000000, -0.0000342700000000, -0.0000054800000000 ] - [ 0.0011877600000000, -0.0007578700000000, -0.0005467700000000 ] - [ -0.0004623000000000, 0.0003238600000000, -0.0002348900000000 ] - [ -0.0016499900000000, 0.0000974700000000, 0.0015132300000000 ] - [ 0.0008904200000000, 0.0002357200000000, 0.0007542800000000 ] - [ 0.0000830100000000, -0.0008317900000000, 0.0002838200000000 ] - [ -0.0001319700000000, -0.0007701100000000, 0.0003059400000000 ] - [ 0.0001630500000000, -0.0005855600000000, -0.0006393500000000 ] - [ 0.0000188800000000, 0.0001845900000000, 0.0003596100000000 ] - [ -0.0001181400000000, -0.0004193400000000, 0.0006994000000000 ] - [ 0.0000671600000000, 0.0000193400000000, 0.0002861700000000 ] - [ 0.0004506300000000, 0.0013728300000000, -0.0006899400000000 ] - [ 0.0002139100000000, 0.0010482300000000, 0.0004185200000000 ] - [ 0.0002821600000000, -0.0003838700000000, 0.0001448600000000 ] - [ 0.0002657000000000, -0.0003468100000000, 0.0001092600000000 ] - [ -0.0003521700000000, 0.0000841800000000, -0.0004295600000000 ] - [ -0.0004398100000000, -0.0000326900000000, -0.0005839000000000 ] - [ -0.0003462800000000, -0.0002819700000000, -0.0002624600000000 ] - [ -0.0004165100000000, -0.0002585600000000, -0.0001555700000000 ] - [ 0.0018085100000000, -0.0015556100000000, -0.0004460600000000 ] - [ -0.0023801400000000, -0.0007436600000000, -0.0000769100000000 ] - [ -0.0003969400000000, -0.0009574900000000, 0.0006772900000000 ] - [ 0.0012952300000000, -0.0006429400000000, 0.0000773900000000 ] - [ -0.0176223900000000, 0.0466071500000000, 0.0456847600000000 ] - [ -0.0005231500000000, 0.0016767100000000, -0.0000629600000000 ] - [ -0.0000309200000000, -0.0014146800000000, 0.0002378000000000 ] - [ 0.0000311500000000, -0.0010677700000000, 0.0001793700000000 ] - [ -0.0000447200000000, -0.0013335600000000, -0.0003430700000000 ] - [ -0.0001190400000000, -0.0012979000000000, -0.0002440600000000 ] - [ -0.0014728000000000, 0.0008772500000000, 0.0002037700000000 ] - [ 0.0000478400000000, 0.0008815400000000, 0.0001132800000000 ] - [ 0.0007542500000000, -0.0011161700000000, 0.0020187100000000 ] - [ 0.0003253700000000, 0.0006859200000000, -0.0015401500000000 ] - [ 0.0001831600000000, -0.0018593100000000, -0.0000714400000000 ] - [ 0.0002759200000000, -0.0012685900000000, 0.0001786700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002934100000000, 0.0006985500000000, 0.0011481100000000 ] - [ 0.0005872300000000, 0.0004448800000000, -0.0018684100000000 ] - [ 0.0005334200000000, -0.0007227900000000, -0.0003377700000000 ] - [ 0.0005013000000000, -0.0006311700000000, -0.0000809200000000 ] - [ 0.0025019800000000, -0.0015760400000000, -0.0012571400000000 ] - [ -0.0012483300000000, -0.0002868600000000, -0.0000921300000000 ] - [ 0.0000547000000000, -0.0010130400000000, 0.0002034100000000 ] - [ 0.0004155100000000, -0.0009418000000000, 0.0001075900000000 ] - [ -0.0007182200000000, 0.0043871400000000, 0.0074216200000000 ] - [ 0.0001900700000000, 0.0018314700000000, -0.0014292200000000 ] - [ 0.0006477800000000, -0.0011872000000000, 0.0002694800000000 ] - [ 0.0006037200000000, -0.0008429500000000, 0.0001230900000000 ] - [ 0.0004217600000000, -0.0015710300000000, -0.0012220600000000 ] - [ -0.0001933600000000, -0.0013915100000000, -0.0012076600000000 ] - [ -0.0000379800000000, -0.0005396100000000, 0.0000900300000000 ] - [ 0.0012618200000000, -0.0002429100000000, 0.0000171700000000 ] - [ -0.0003457200000000, -0.0010567100000000, 0.0001700500000000 ] - [ -0.0002584500000000, -0.0007333200000000, 0.0001332600000000 ] - [ -0.0008383300000000, -0.0051202700000000, -0.0159249500000000 ] - [ 0.0001527600000000, 0.0007595700000000, 0.0004008600000000 ] - [ -0.0004114000000000, 0.0017759000000000, 0.0003183300000000 ] - [ 0.0002377300000000, 0.0022045500000000, 0.0004437700000000 ] - [ 0.0000515600000000, -0.0009302200000000, 0.0003008800000000 ] - [ -0.0000341200000000, -0.0008972300000000, 0.0003053000000000 ] - [ 0.0059359900000000, 0.0056145300000000, -0.0031876200000000 ] - [ -0.0002585000000000, 0.0008575400000000, -0.0000931600000000 ] - [ 0.0007061900000000, -0.0013104600000000, 0.0001895400000000 ] - [ 0.0007629300000000, -0.0012520400000000, 0.0001992700000000 ] - [ 0.0005939000000000, -0.0000739900000000, -0.0000014900000000 ] - [ 0.0004924900000000, -0.0000008400000000, 0.0001007100000000 ] - [ -0.0004459800000000, 0.0010623800000000, 0.0019410200000000 ] - [ 0.0005781100000000, 0.0011037900000000, -0.0003695000000000 ] - [ -0.0196171700000000, 0.0546389900000000, 0.0615254000000000 ] - [ -0.0006072000000000, 0.0012573900000000, 0.0001942500000000 ] - [ -0.0005843100000000, -0.0005401800000000, -0.0001061900000000 ] - [ -0.0005661500000000, -0.0003586100000000, -0.0001286000000000 ] - [ -0.0006117800000000, -0.0007830600000000, -0.0001384000000000 ] - [ -0.0005335200000000, -0.0008122800000000, -0.0000538100000000 ] - [ -0.0006315500000000, -0.0001704300000000, -0.0002917100000000 ] - [ -0.0009512300000000, 0.0000433400000000, -0.0003905900000000 ] - [ -0.0001425300000000, 0.0001628000000000, 0.0011351300000000 ] - [ 0.0002210500000000, 0.0003083600000000, -0.0003289200000000 ] - [ -0.0000420000000000, -0.0011546900000000, -0.0004757700000000 ] - [ -0.0001120000000000, -0.0003970500000000, -0.0001463600000000 ] - [ 0.0001102800000000, -0.0003135000000000, 0.0002171400000000 ] - [ -0.0032365100000000, -0.0024080200000000, -0.0005859000000000 ] - [ -0.0012896500000000, -0.0005404100000000, 0.0003150800000000 ] - [ -0.0002046500000000, -0.0015504000000000, 0.0002275100000000 ] - [ 0.0019344000000000, -0.0012882800000000, -0.0000507500000000 ] - [ -0.0002237700000000, -0.0004224500000000, 0.0004214500000000 ] - [ -0.0002642500000000, -0.0012923500000000, 0.0001929000000000 ] - [ 0.0010383100000000, -0.0004165200000000, -0.0000471400000000 ] - [ -0.0003713300000000, 0.0005807500000000, 0.0008527400000000 ] - [ -0.0009223100000000, 0.0006921500000000, -0.0002318400000000 ] - [ -0.0008513600000000, -0.0006763200000000, 0.0001067700000000 ] - [ -0.0007152600000000, -0.0003778300000000, 0.0002441000000000 ] - [ -0.0009085600000000, -0.0008374000000000, -0.0000723200000000 ] - [ -0.0002776700000000, -0.0005187400000000, -0.0004064400000000 ] - [ -0.0003584100000000, 0.0006644600000000, -0.0002459200000000 ] - [ -0.0004350600000000, 0.0002656100000000, -0.0001818500000000 ] - [ 0.0002420200000000, 0.0005375800000000, 0.0001393900000000 ] - [ 0.0003177500000000, 0.0003794900000000, 0.0001144600000000 ] - [ 0.0008726100000000, -0.0030359300000000, -0.0006625900000000 ] - [ -0.0005265300000000, -0.0004101300000000, 0.0000588300000000 ] - [ 0.0005109400000000, -0.0018619400000000, 0.0000822400000000 ] - [ -0.0003957900000000, -0.0007439000000000, -0.0000453700000000 ] - [ 0.0000357300000000, 0.0006057600000000, -0.0002424300000000 ] - [ 0.0000339300000000, 0.0005409400000000, -0.0002103200000000 ] - [ -0.0001064200000000, 0.0003770900000000, -0.0002718700000000 ] - [ -0.0000122400000000, 0.0006340800000000, -0.0002163400000000 ] - [ 0.0002858500000000, -0.0003982600000000, -0.0002471500000000 ] - [ -0.0008644300000000, -0.0018063300000000, -0.0010112000000000 ] - [ -0.0004902100000000, -0.0007464600000000, 0.0000548900000000 ] - [ -0.0022542200000000, -0.0036575800000000, -0.0015408600000000 ] - [ -0.0000502400000000, 0.0008127900000000, 0.0000361200000000 ] - [ -0.0000605800000000, 0.0009084700000000, -0.0000113700000000 ] - [ -0.0002189200000000, 0.0004206300000000, -0.0004298700000000 ] - [ 0.0000174900000000, -0.0000374100000000, 0.0000266500000000 ] - [ 0.0006021700000000, 0.0010159600000000, 0.0006952000000000 ] - [ -0.0002922100000000, -0.0001242200000000, -0.0000346500000000 ] - [ 0.0006101300000000, -0.0036559400000000, -0.0013210300000000 ] - [ 0.0002032800000000, -0.0013285100000000, -0.0001069400000000 ] - [ 0.0000050800000000, 0.0002700400000000, -0.0001404900000000 ] - [ -0.0000032700000000, 0.0002285000000000, -0.0001055400000000 ] - [ 0.0001647700000000, 0.0009560700000000, -0.0003293700000000 ] - [ -0.0001918700000000, 0.0006895400000000, -0.0002177100000000 ] - [ -0.0012190100000000, 0.0014037100000000, 0.0003236200000000 ] - [ 0.0004340700000000, 0.0003307200000000, 0.0000107700000000 ] - [ 0.0016876800000000, -0.0006495400000000, -0.0008053600000000 ] - [ -0.0008450800000000, -0.0007949100000000, -0.0000521500000000 ] - [ -0.0000404800000000, 0.0002675400000000, 0.0004166000000000 ] - [ 0.0001745000000000, 0.0002069600000000, 0.0003944900000000 ] - [ -0.0001192100000000, 0.0011454500000000, 0.0013329100000000 ] - [ 0.0000239100000000, 0.0003798600000000, 0.0003388200000000 ] - [ 0.0001634300000000, 0.0009829300000000, -0.0000017600000000 ] - [ -0.0000243300000000, 0.0005419300000000, 0.0004141100000000 ] - [ 0.0000074400000000, -0.0011861300000000, 0.0010481500000000 ] - [ 0.0002471000000000, -0.0008595300000000, -0.0000542600000000 ] - [ 0.0001777300000000, 0.0005738000000000, 0.0002221900000000 ] - [ 0.0001943900000000, 0.0005371600000000, 0.0002576300000000 ] - [ -0.0003696000000000, 0.0001185600000000, -0.0000846000000000 ] - [ -0.0002846600000000, 0.0002343700000000, 0.0000694200000000 ] - [ -0.0003771100000000, 0.0004802400000000, -0.0002502300000000 ] - [ -0.0003071900000000, 0.0004588100000000, -0.0003573700000000 ] - [ -0.0014116200000000, 0.0021669200000000, 0.0004159200000000 ] - [ 0.0027545600000000, 0.0013574700000000, 0.0000556400000000 ] - [ 0.0007926100000000, 0.0015699500000000, -0.0006980000000000 ] - [ -0.0009163000000000, 0.0012503300000000, -0.0000967200000000 ] - [ 0.0176540500000000, -0.0460671200000000, -0.0457963800000000 ] - [ 0.0004563600000000, -0.0016451100000000, 0.0002442000000000 ] - [ -0.0000479600000000, 0.0014416500000000, -0.0000570900000000 ] - [ -0.0001142500000000, 0.0010988600000000, 0.0000002300000000 ] - [ -0.0000325500000000, 0.0013029600000000, 0.0005227600000000 ] - [ 0.0000480400000000, 0.0012699300000000, 0.0004256600000000 ] - [ 0.0014045900000000, -0.0009119400000000, -0.0000313000000000 ] - [ -0.0001202600000000, -0.0009121600000000, 0.0000700900000000 ] - [ -0.0003829700000000, 0.0005603200000000, -0.0020632700000000 ] - [ 0.0000660200000000, -0.0012964600000000, 0.0015186500000000 ] - [ 0.0002001800000000, 0.0012452400000000, 0.0000468800000000 ] - [ 0.0001113700000000, 0.0006532100000000, -0.0002043600000000 ]- atom: 33 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ -0.0000536000000000, -0.0011517400000000, 0.0035986900000000 ] - [ 0.0016871600000000, 0.0015047300000000, 0.0028356200000000 ] - [ 0.0004045800000000, 0.0001954500000000, 0.0001596800000000 ] - [ 0.0005647400000000, -0.0000396200000000, -0.0000623000000000 ] - [ -0.0024811100000000, 0.0036785900000000, -0.0006393600000000 ] - [ 0.0008010000000000, 0.0000548000000000, -0.0003449500000000 ] - [ 0.0000406700000000, -0.0005135800000000, -0.0001819600000000 ] - [ 0.0000716500000000, 0.0000233200000000, -0.0002635400000000 ] - [ 0.0044909900000000, -0.0117471600000000, 0.0171680800000000 ] - [ 0.0000174100000000, -0.0004454800000000, 0.0005342400000000 ] - [ 0.0004355000000000, 0.0004368600000000, -0.0005286700000000 ] - [ 0.0004290300000000, 0.0001574700000000, -0.0003267800000000 ] - [ 0.0003663800000000, 0.0010950800000000, 0.0003189700000000 ] - [ 0.0006366400000000, -0.0000355800000000, -0.0002551600000000 ] - [ -0.0003173900000000, -0.0015745400000000, -0.0004725700000000 ] - [ 0.0010255200000000, -0.0001688300000000, -0.0005076100000000 ] - [ -0.0000726100000000, -0.0000640600000000, 0.0000734500000000 ] - [ -0.0001770300000000, 0.0001071900000000, 0.0002717700000000 ] - [ 0.0056336800000000, 0.0106331900000000, 0.0070404000000000 ] - [ -0.0013691200000000, -0.0002196300000000, 0.0004708600000000 ] - [ -0.0031506800000000, -0.0019352700000000, 0.0022382200000000 ] - [ 0.0015174800000000, -0.0006074700000000, 0.0003022600000000 ] - [ -0.0002625600000000, 0.0002629900000000, 0.0003383400000000 ] - [ -0.0000631200000000, 0.0000393500000000, 0.0002407600000000 ] - [ -0.0160318700000000, 0.0055760500000000, 0.0094318900000000 ] - [ -0.0005056600000000, -0.0006024500000000, -0.0008399000000000 ] - [ 0.0005971400000000, -0.0005975500000000, 0.0001050100000000 ] - [ 0.0006236100000000, -0.0005323800000000, 0.0001114100000000 ] - [ 0.0006565100000000, 0.0008789600000000, 0.0002861300000000 ] - [ 0.0007011400000000, 0.0005454000000000, 0.0002498600000000 ] - [ -0.0008761900000000, -0.0024184700000000, 0.0031615700000000 ] - [ 0.0013030700000000, 0.0007895200000000, 0.0008749400000000 ] - [ 0.0904229400000000, -0.0594589900000000, -0.2097131000000000 ] - [ -0.0015712100000000, 0.0000466100000000, 0.0001363200000000 ] - [ -0.0005032600000000, 0.0002961700000000, -0.0002375800000000 ] - [ -0.0006557200000000, 0.0003253200000000, -0.0000318000000000 ] - [ -0.0008384000000000, -0.0003163900000000, 0.0002904900000000 ] - [ -0.0003923400000000, -0.0002926200000000, -0.0000534000000000 ] - [ -0.0022907300000000, -0.0004347700000000, 0.0027874000000000 ] - [ 0.0002247600000000, -0.0003363000000000, 0.0003500900000000 ] - [ -0.0002328100000000, -0.0026600800000000, 0.0000682900000000 ] - [ 0.0001089900000000, 0.0006708600000000, 0.0005306500000000 ] - [ 0.0001330200000000, 0.0011534800000000, 0.0002809100000000 ] - [ 0.0000336900000000, 0.0001303000000000, -0.0000393300000000 ] - [ -0.0020138200000000, 0.0002517700000000, 0.0002094500000000 ] - [ 0.0000152300000000, 0.0002856700000000, -0.0004695900000000 ] - [ -0.0012629900000000, -0.0003522400000000, 0.0001090600000000 ] - [ -0.0003944300000000, -0.0004033800000000, -0.0003505600000000 ] - [ 0.0005083400000000, 0.0006896800000000, -0.0010861600000000 ] - [ 0.0004048500000000, -0.0002415000000000, -0.0005477600000000 ] - [ 0.0007206900000000, -0.0007561700000000, -0.0009537100000000 ] - [ 0.0002143500000000, 0.0008503100000000, -0.0006821700000000 ] - [ 0.0016856800000000, -0.0014380000000000, 0.0008264200000000 ] - [ -0.0021285200000000, 0.0002259600000000, 0.0018464300000000 ] - [ -0.0006676700000000, 0.0004997800000000, 0.0002476300000000 ] - [ -0.0009769500000000, 0.0001633300000000, 0.0003424200000000 ] - [ -0.0021427600000000, -0.0007652100000000, 0.0029648100000000 ] - [ 0.0000111800000000, 0.0000994000000000, -0.0003208500000000 ] - [ -0.0005314500000000, -0.0002346100000000, 0.0000190700000000 ] - [ -0.0002092300000000, -0.0001715100000000, -0.0002772600000000 ] - [ 0.0001567100000000, -0.0002411600000000, 0.0002880800000000 ] - [ 0.0002783200000000, -0.0001062000000000, 0.0001768000000000 ] - [ -0.0006555200000000, 0.0010498900000000, 0.0028747000000000 ] - [ 0.0015993100000000, -0.0008896200000000, 0.0013944500000000 ] - [ -0.0019894100000000, 0.0000857600000000, -0.0001722100000000 ] - [ 0.0019760100000000, 0.0003638400000000, -0.0023188500000000 ] - [ -0.0000800900000000, 0.0000444000000000, -0.0002174100000000 ] - [ 0.0000530100000000, 0.0000406800000000, -0.0003138200000000 ] - [ 0.0001345600000000, -0.0001799400000000, -0.0003146900000000 ] - [ -0.0001128800000000, -0.0002050100000000, -0.0001774000000000 ] - [ 0.0007982400000000, 0.0000028200000000, -0.0003837700000000 ] - [ -0.0026360100000000, 0.0011457500000000, 0.0019230100000000 ] - [ 0.0017968700000000, -0.0000530400000000, -0.0004691500000000 ] - [ -0.0018334100000000, 0.0002096100000000, 0.0019866000000000 ] - [ 0.0000229600000000, 0.0002627500000000, -0.0000091100000000 ] - [ -0.0001308100000000, 0.0002304300000000, 0.0000757300000000 ] - [ -0.0003566300000000, 0.0000913900000000, 0.0003279900000000 ] - [ 0.0001283000000000, -0.0003175000000000, -0.0000842000000000 ] - [ -0.0009566300000000, -0.0013593600000000, -0.0001022900000000 ] - [ 0.0003765100000000, -0.0004267200000000, -0.0004999800000000 ] - [ -0.0045732400000000, 0.0010371300000000, 0.0078467000000000 ] - [ -0.0003357900000000, -0.0003043000000000, -0.0004705600000000 ] - [ -0.0000540200000000, -0.0003276800000000, -0.0001068500000000 ] - [ 0.0000036900000000, -0.0003866500000000, -0.0001578700000000 ] - [ 0.0001342100000000, 0.0006816700000000, 0.0000351500000000 ] - [ -0.0000760100000000, 0.0002182200000000, -0.0000187500000000 ] - [ 0.0006478200000000, -0.0018635800000000, -0.0004490600000000 ] - [ -0.0000618800000000, 0.0004419700000000, 0.0000966300000000 ] - [ 0.0015992000000000, 0.0020546400000000, 0.0001030000000000 ] - [ -0.0001386400000000, -0.0003987900000000, 0.0010390200000000 ] - [ 0.0001078200000000, -0.0005081500000000, 0.0003586200000000 ] - [ -0.0000420700000000, -0.0002884100000000, 0.0004573300000000 ] - [ -0.0001778400000000, -0.0009614900000000, -0.0000133400000000 ] - [ -0.0000002500000000, 0.0005916500000000, -0.0001000100000000 ] - [ -0.0001082600000000, 0.0008375400000000, 0.0003220500000000 ] - [ 0.0001390600000000, 0.0001935800000000, 0.0001833200000000 ] - [ 0.0009715900000000, -0.0005481300000000, -0.0023296900000000 ] - [ -0.0005572300000000, 0.0004991000000000, -0.0010010300000000 ] - [ 0.0003100100000000, 0.0000984300000000, 0.0001016500000000 ] - [ 0.0001674500000000, 0.0000435000000000, 0.0001820700000000 ] - [ 0.0005567600000000, 0.0001347000000000, -0.0010693900000000 ] - [ -0.0010142000000000, -0.0000278600000000, -0.0004313600000000 ] - [ -0.0001259900000000, 0.0001413600000000, -0.0005616600000000 ] - [ -0.0005652400000000, 0.0000855000000000, -0.0002885100000000 ] - [ 0.0017091500000000, -0.0022954800000000, 0.0010038000000000 ] - [ -0.0004340500000000, 0.0002545500000000, 0.0003838900000000 ] - [ 0.0006530200000000, 0.0013938200000000, 0.0006327000000000 ] - [ -0.0003925400000000, -0.0000002200000000, 0.0008261100000000 ] - [ -0.0728329200000000, 0.0483870200000000, 0.1605182100000000 ] - [ 0.0014091200000000, 0.0005794800000000, -0.0004075000000000 ] - [ -0.0000316600000000, -0.0000769400000000, 0.0003589400000000 ] - [ 0.0000005900000000, -0.0000946000000000, 0.0000542300000000 ] - [ 0.0000219100000000, -0.0005013600000000, -0.0006007500000000 ] - [ -0.0001698400000000, -0.0000408800000000, 0.0000282500000000 ] - [ 0.0030663500000000, 0.0028474600000000, -0.0027276800000000 ] - [ -0.0011836500000000, 0.0004401200000000, -0.0003568400000000 ] - [ -0.0029562100000000, 0.0088895100000000, -0.0060475800000000 ] - [ 0.0011591100000000, -0.0007884300000000, -0.0026790400000000 ] - [ 0.0000317200000000, -0.0010302400000000, -0.0002483200000000 ] - [ 0.0002591400000000, -0.0003085300000000, -0.0000858600000000 ]- atom: 33 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0010340900000000, 0.0011469800000000, -0.0038520700000000 ] - [ -0.0006863100000000, -0.0015091400000000, -0.0030689900000000 ] - [ 0.0005771200000000, -0.0002083800000000, -0.0003998400000000 ] - [ 0.0004186600000000, 0.0000263700000000, -0.0001812500000000 ] - [ 0.0025370500000000, -0.0039565600000000, 0.0004196200000000 ] - [ -0.0007508500000000, -0.0003605700000000, 0.0001467700000000 ] - [ 0.0000246200000000, 0.0002082900000000, -0.0000170500000000 ] - [ -0.0000093700000000, -0.0003241900000000, 0.0000659500000000 ] - [ -0.0036528900000000, 0.0121467700000000, -0.0181225000000000 ] - [ 0.0008951700000000, 0.0006761500000000, -0.0012031500000000 ] - [ 0.0004745900000000, -0.0002105500000000, -0.0001367800000000 ] - [ 0.0004821100000000, 0.0000664500000000, -0.0003367000000000 ] - [ 0.0005397800000000, -0.0013285400000000, -0.0009963700000000 ] - [ 0.0002670600000000, -0.0002047700000000, -0.0004244100000000 ] - [ 0.0012233900000000, 0.0013350700000000, -0.0002109300000000 ] - [ -0.0001251600000000, -0.0000599700000000, -0.0001647500000000 ] - [ -0.0002133700000000, 0.0000495700000000, 0.0003799200000000 ] - [ -0.0001048700000000, -0.0001142600000000, 0.0001837800000000 ] - [ -0.0060137500000000, -0.0107729200000000, -0.0066143900000000 ] - [ 0.0010903800000000, 0.0001991800000000, -0.0000154000000000 ] - [ 0.0028496800000000, 0.0019318300000000, -0.0017853000000000 ] - [ -0.0018151200000000, 0.0006265800000000, 0.0001433100000000 ] - [ -0.0000241300000000, -0.0002492000000000, 0.0001158200000000 ] - [ -0.0002217700000000, -0.0000245200000000, 0.0002130200000000 ] - [ 0.0176647300000000, -0.0069367400000000, -0.0092572000000000 ] - [ 0.0018132800000000, -0.0006286300000000, 0.0011535900000000 ] - [ 0.0006908700000000, -0.0006301600000000, 0.0002067200000000 ] - [ 0.0006606300000000, -0.0006948300000000, 0.0001998700000000 ] - [ 0.0006313200000000, 0.0003502800000000, 0.0000251800000000 ] - [ 0.0005858500000000, 0.0006841300000000, 0.0000619000000000 ] - [ 0.0021745800000000, 0.0036253800000000, -0.0028487500000000 ] - [ -0.0000264000000000, 0.0004382200000000, -0.0005612100000000 ] - [ -0.0948933900000000, 0.0636988500000000, 0.2193486000000000 ] - [ 0.0003985800000000, 0.0004848200000000, -0.0002541400000000 ] - [ -0.0006693000000000, 0.0002336500000000, 0.0001130500000000 ] - [ -0.0005138100000000, 0.0002028200000000, -0.0000986700000000 ] - [ -0.0003358400000000, -0.0002110200000000, -0.0004181100000000 ] - [ -0.0007806200000000, -0.0002359400000000, -0.0000722400000000 ] - [ 0.0011130200000000, -0.0001032400000000, -0.0029093000000000 ] - [ -0.0013965700000000, -0.0001905400000000, -0.0004831500000000 ] - [ 0.0002926100000000, 0.0029734700000000, -0.0002632800000000 ] - [ -0.0000442900000000, -0.0003688000000000, -0.0007273900000000 ] - [ -0.0000712500000000, -0.0008494900000000, -0.0004802100000000 ] - [ 0.0000323100000000, 0.0001747900000000, -0.0001591500000000 ] - [ 0.0003112700000000, -0.0005336200000000, 0.0001981000000000 ] - [ -0.0017273200000000, -0.0005857300000000, 0.0008754300000000 ] - [ -0.0004461600000000, 0.0000653900000000, 0.0003010200000000 ] - [ -0.0013201200000000, 0.0001246500000000, 0.0007624400000000 ] - [ 0.0004791600000000, -0.0006808400000000, 0.0008517700000000 ] - [ 0.0005717000000000, 0.0002512600000000, 0.0003201100000000 ] - [ 0.0002646900000000, 0.0007729000000000, 0.0007098800000000 ] - [ 0.0007642900000000, -0.0008413200000000, 0.0004478300000000 ] - [ -0.0034048100000000, 0.0017315000000000, -0.0004160600000000 ] - [ 0.0004327300000000, 0.0000665500000000, -0.0014276200000000 ] - [ -0.0010418800000000, -0.0002123900000000, 0.0001624700000000 ] - [ -0.0007341800000000, 0.0001239900000000, 0.0000677300000000 ] - [ 0.0014109700000000, 0.0005741400000000, -0.0034700100000000 ] - [ -0.0007340800000000, -0.0003002100000000, -0.0001934100000000 ] - [ -0.0001928900000000, 0.0000339900000000, -0.0005312600000000 ] - [ -0.0005140500000000, -0.0000275800000000, -0.0002355500000000 ] - [ 0.0003031500000000, 0.0000513200000000, 0.0000778700000000 ] - [ 0.0001828400000000, -0.0000834300000000, 0.0001882300000000 ] - [ 0.0010580800000000, -0.0012812200000000, -0.0025056900000000 ] - [ -0.0011360900000000, 0.0007020400000000, -0.0010386300000000 ] - [ 0.0019755000000000, 0.0000877700000000, -0.0003489500000000 ] - [ -0.0019886600000000, -0.0001902400000000, 0.0018063900000000 ] - [ 0.0000698900000000, 0.0001261500000000, -0.0002912100000000 ] - [ -0.0000625500000000, 0.0001301300000000, -0.0001951500000000 ] - [ -0.0001441700000000, 0.0000083500000000, -0.0001935300000000 ] - [ 0.0001024300000000, 0.0000359100000000, -0.0003306400000000 ] - [ -0.0008073200000000, -0.0001717400000000, -0.0001236500000000 ] - [ 0.0026300900000000, -0.0013239900000000, -0.0024231300000000 ] - [ -0.0019140700000000, 0.0005757000000000, 0.0005525500000000 ] - [ 0.0016790200000000, 0.0003020400000000, -0.0019275400000000 ] - [ -0.0001499700000000, 0.0002618200000000, 0.0000876100000000 ] - [ 0.0000035800000000, 0.0002931300000000, 0.0000029700000000 ] - [ 0.0002297100000000, -0.0006152200000000, -0.0002522200000000 ] - [ -0.0002548900000000, -0.0002088400000000, 0.0001612500000000 ] - [ 0.0008278900000000, 0.0008299400000000, 0.0001783200000000 ] - [ -0.0005048200000000, -0.0000939200000000, 0.0005777100000000 ] - [ 0.0042357600000000, -0.0015447100000000, -0.0075001500000000 ] - [ 0.0003129200000000, -0.0003516100000000, 0.0002468400000000 ] - [ 0.0000250300000000, -0.0003283100000000, -0.0001167900000000 ] - [ -0.0000318800000000, -0.0002697700000000, -0.0000659600000000 ] - [ -0.0001625300000000, -0.0000258000000000, -0.0002617300000000 ] - [ 0.0000465400000000, 0.0004367900000000, -0.0002056000000000 ] - [ -0.0006690900000000, 0.0025224800000000, 0.0002206900000000 ] - [ 0.0000304400000000, 0.0002145700000000, -0.0003209100000000 ] - [ -0.0015510900000000, -0.0026263500000000, 0.0005877000000000 ] - [ 0.0001782200000000, -0.0001623900000000, -0.0003418500000000 ] - [ -0.0000621500000000, -0.0000549300000000, 0.0003400500000000 ] - [ 0.0000866500000000, -0.0002752600000000, 0.0002421900000000 ] - [ 0.0002186100000000, 0.0015185800000000, 0.0007170100000000 ] - [ 0.0000483600000000, -0.0000283500000000, 0.0008004100000000 ] - [ 0.0001507900000000, -0.0002745200000000, 0.0003803900000000 ] - [ -0.0000920700000000, 0.0003700400000000, 0.0005157600000000 ] - [ -0.0005043600000000, 0.0007439400000000, 0.0026975000000000 ] - [ 0.0010086400000000, -0.0003051000000000, 0.0013653900000000 ] - [ 0.0001508600000000, 0.0000911300000000, 0.0002633800000000 ] - [ 0.0002930900000000, 0.0001465900000000, 0.0001838000000000 ] - [ -0.0012786100000000, 0.0000592000000000, 0.0005566000000000 ] - [ 0.0002894000000000, 0.0002286000000000, -0.0000763500000000 ] - [ -0.0005974000000000, 0.0000596200000000, 0.0000496700000000 ] - [ -0.0001591100000000, 0.0001129800000000, -0.0002224400000000 ] - [ -0.0013254200000000, 0.0028996300000000, -0.0010164100000000 ] - [ 0.0008317400000000, 0.0003673500000000, -0.0004128800000000 ] - [ -0.0002681200000000, -0.0007788700000000, -0.0006467500000000 ] - [ 0.0007866400000000, 0.0006109700000000, -0.0008539900000000 ] - [ 0.0762424800000000, -0.0520427500000000, -0.1701626300000000 ] - [ -0.0014918900000000, -0.0005545500000000, 0.0005930200000000 ] - [ -0.0000410500000000, 0.0001106200000000, -0.0001786300000000 ] - [ -0.0000744400000000, 0.0001294500000000, 0.0001249500000000 ] - [ -0.0000951000000000, 0.0004703200000000, 0.0007816600000000 ] - [ 0.0001006000000000, 0.0000172600000000, 0.0001579200000000 ] - [ -0.0031363700000000, -0.0028511400000000, 0.0029087900000000 ] - [ 0.0011205400000000, -0.0004757500000000, 0.0005428200000000 ] - [ 0.0033528400000000, -0.0095480100000000, 0.0060359000000000 ] - [ -0.0007844200000000, 0.0001691100000000, 0.0026477100000000 ] - [ 0.0003527800000000, 0.0004163900000000, 0.0002223000000000 ] - [ 0.0001207500000000, -0.0003025200000000, 0.0000607900000000 ]- atom: 45 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ -0.0002823000000000, 0.0010635000000000, -0.0025073200000000 ] - [ 0.0012560100000000, 0.0000684000000000, 0.0012074700000000 ] - [ 0.0002842700000000, 0.0000526500000000, -0.0002309700000000 ] - [ 0.0006583300000000, 0.0001589800000000, 0.0000827400000000 ] - [ 0.0160411600000000, -0.0098327600000000, 0.0052828400000000 ] - [ 0.0043123000000000, 0.0000424700000000, -0.0002790200000000 ] - [ -0.0001124800000000, 0.0001383700000000, -0.0002014600000000 ] - [ 0.0001217000000000, -0.0001608300000000, -0.0000771900000000 ] - [ 0.0006075000000000, 0.0002473100000000, -0.0014756400000000 ] - [ 0.0000363600000000, 0.0006717100000000, 0.0011225000000000 ] - [ 0.0004176900000000, 0.0005764700000000, -0.0006760000000000 ] - [ 0.0004303800000000, -0.0001991300000000, 0.0000200600000000 ] - [ 0.0073158400000000, 0.0146205300000000, 0.0128303300000000 ] - [ 0.0022891100000000, -0.0014282700000000, -0.0009183100000000 ] - [ 0.0003548000000000, -0.0001692800000000, -0.0003942700000000 ] - [ 0.0005655100000000, 0.0001225800000000, -0.0002297800000000 ] - [ 0.0006802300000000, 0.0008302400000000, -0.0002319400000000 ] - [ -0.0004517900000000, -0.0010807900000000, 0.0012291000000000 ] - [ -0.0000869400000000, -0.0001084000000000, -0.0000805400000000 ] - [ -0.0001260300000000, 0.0005791500000000, 0.0007241900000000 ] - [ -0.0007031500000000, -0.0004061100000000, 0.0003368000000000 ] - [ 0.0001424000000000, 0.0003913200000000, 0.0001258100000000 ] - [ -0.0018837700000000, 0.0023749200000000, 0.0003326400000000 ] - [ 0.0007548200000000, -0.0006820900000000, 0.0001791200000000 ] - [ 0.0012742400000000, -0.0005012600000000, 0.0000327000000000 ] - [ -0.0003915400000000, -0.0006599200000000, 0.0002642800000000 ] - [ 0.0012809200000000, -0.0006429600000000, 0.0003992600000000 ] - [ -0.0003791500000000, -0.0004294400000000, 0.0000434000000000 ] - [ 0.0029513100000000, 0.0026037200000000, 0.0017240300000000 ] - [ 0.0016376200000000, -0.0013663400000000, -0.0012438100000000 ] - [ 0.0007060600000000, 0.0002645000000000, 0.0003614500000000 ] - [ 0.0006626200000000, 0.0009347700000000, 0.0000097700000000 ] - [ 0.0004352500000000, -0.0007045200000000, -0.0007889700000000 ] - [ -0.0013969900000000, 0.0026575600000000, 0.0004348600000000 ] - [ -0.0000579800000000, 0.0006951300000000, -0.0001970400000000 ] - [ -0.0008452800000000, -0.0003801400000000, 0.0003320700000000 ] - [ -0.0011815100000000, 0.0002155800000000, 0.0026145400000000 ] - [ -0.0002113400000000, -0.0003343800000000, -0.0013406700000000 ] - [ -0.0006451000000000, -0.0002667200000000, 0.0001514900000000 ] - [ -0.0005561100000000, -0.0001173400000000, -0.0001842500000000 ] - [ 0.0001330100000000, -0.0004156900000000, -0.0012342500000000 ] - [ -0.0003360700000000, 0.0003281600000000, 0.0019078900000000 ] - [ 0.0000198500000000, 0.0002787900000000, -0.0001341600000000 ] - [ 0.0000722100000000, 0.0002237800000000, -0.0000007200000000 ] - [ -0.2523168600000000, -0.0259223000000000, 0.0041223800000000 ] - [ 0.0028410200000000, -0.0001775900000000, 0.0001251900000000 ] - [ -0.0010192100000000, -0.0000250200000000, 0.0001638500000000 ] - [ -0.0006585000000000, -0.0000801200000000, 0.0002234100000000 ] - [ 0.0121589400000000, 0.0054177500000000, -0.0127142000000000 ] - [ 0.0035169200000000, -0.0009004200000000, 0.0005151500000000 ] - [ 0.0003985700000000, 0.0000687900000000, -0.0002107900000000 ] - [ 0.0005808300000000, 0.0001264500000000, -0.0000585000000000 ] - [ -0.0005585000000000, 0.0000016100000000, -0.0016544400000000 ] - [ -0.0001913300000000, 0.0000337800000000, 0.0019507500000000 ] - [ -0.0009656900000000, 0.0001998700000000, 0.0001169800000000 ] - [ -0.0007171500000000, 0.0002811300000000, 0.0003284700000000 ] - [ -0.0028504400000000, 0.0009868400000000, 0.0011418300000000 ] - [ 0.0040297700000000, 0.0006328300000000, 0.0009653100000000 ] - [ -0.0003772000000000, -0.0002347200000000, -0.0002262500000000 ] - [ -0.0003461300000000, -0.0000663500000000, -0.0002888300000000 ] - [ 0.0002135100000000, -0.0021080900000000, 0.0005711100000000 ] - [ -0.0005189200000000, 0.0009542900000000, -0.0001844000000000 ] - [ 0.0003805400000000, 0.0002183600000000, 0.0003501500000000 ] - [ -0.0000159600000000, -0.0004277700000000, 0.0001404000000000 ] - [ 0.0000347600000000, 0.0001155500000000, -0.0000132100000000 ] - [ -0.0001639200000000, -0.0000429000000000, -0.0006009200000000 ] - [ 0.0001002300000000, -0.0000510100000000, 0.0002039500000000 ] - [ -0.0002124500000000, -0.0000578100000000, -0.0007271900000000 ] - [ 0.0032944100000000, 0.0014954500000000, 0.0002115800000000 ] - [ -0.0012266600000000, -0.0001220300000000, -0.0001915500000000 ] - [ 0.0002551800000000, -0.0002877300000000, -0.0001539000000000 ] - [ -0.0002207300000000, -0.0000348800000000, -0.0002789400000000 ] - [ 0.0038602100000000, 0.0002355200000000, 0.0003264400000000 ] - [ -0.0010856700000000, 0.0000862000000000, -0.0000039900000000 ] - [ 0.0003177400000000, 0.0001928300000000, 0.0001918000000000 ] - [ -0.0003161000000000, 0.0002603000000000, -0.0000235900000000 ] - [ -0.0006895400000000, -0.0004803900000000, 0.0024443600000000 ] - [ -0.0006851800000000, 0.0004043900000000, -0.0016453000000000 ] - [ -0.0000205600000000, -0.0003216200000000, 0.0001083700000000 ] - [ -0.0001211200000000, -0.0003770600000000, -0.0000645300000000 ] - [ -0.0007778800000000, 0.0015103100000000, -0.0010283900000000 ] - [ -0.0005253300000000, -0.0018152000000000, 0.0006211000000000 ] - [ -0.0001904000000000, -0.0008851000000000, -0.0001323300000000 ] - [ 0.0000095800000000, 0.0000369100000000, -0.0000480300000000 ] - [ -0.0005430500000000, 0.0005882400000000, -0.0004533500000000 ] - [ 0.0025552300000000, 0.0005033300000000, -0.0004228200000000 ] - [ -0.0000638300000000, 0.0002799600000000, -0.0001327700000000 ] - [ 0.0000626900000000, 0.0001978900000000, -0.0001041900000000 ] - [ -0.0009422800000000, -0.0004294700000000, -0.0001309900000000 ] - [ 0.0023022000000000, 0.0008400700000000, 0.0015393900000000 ] - [ -0.0000462900000000, -0.0003680700000000, 0.0003010200000000 ] - [ 0.0000940600000000, -0.0003233600000000, 0.0003829400000000 ] - [ -0.0023324100000000, 0.0001322100000000, -0.0009782900000000 ] - [ 0.0042222200000000, 0.0002179300000000, -0.0018444400000000 ] - [ -0.0000322500000000, 0.0002286100000000, 0.0003332000000000 ] - [ 0.0000803900000000, 0.0002093800000000, 0.0003842300000000 ] - [ 0.0003918400000000, -0.0000740500000000, 0.0002511400000000 ] - [ 0.0001162100000000, 0.0000599300000000, -0.0000026500000000 ] - [ 0.0008160100000000, 0.0001544600000000, 0.0004311300000000 ] - [ -0.0001714200000000, 0.0000278400000000, -0.0000166400000000 ] - [ 0.0015220100000000, 0.0005618200000000, -0.0020171400000000 ] - [ -0.0011446300000000, 0.0000614800000000, 0.0003903400000000 ] - [ -0.0003302600000000, 0.0000114000000000, -0.0002788600000000 ] - [ -0.0004003300000000, 0.0000464400000000, -0.0002329500000000 ] - [ 0.1986419800000000, 0.0148933500000000, -0.0056840800000000 ] - [ -0.0049177100000000, 0.0015663700000000, 0.0000356400000000 ] - [ 0.0004314700000000, 0.0001385600000000, 0.0001178100000000 ] - [ -0.0000240900000000, 0.0001585000000000, -0.0000941000000000 ] - [ -0.0007406200000000, 0.0002635700000000, 0.0011744100000000 ] - [ 0.0013068900000000, -0.0013634800000000, -0.0013446500000000 ] - [ -0.0008048000000000, -0.0006859500000000, 0.0002701900000000 ] - [ 0.0010285800000000, 0.0008876100000000, -0.0003977000000000 ] - [ 0.0000313400000000, -0.0078654800000000, -0.0071915100000000 ] - [ -0.0019357900000000, 0.0015395800000000, 0.0016403800000000 ] - [ 0.0000825000000000, 0.0003380800000000, -0.0001362300000000 ] - [ -0.0001452200000000, -0.0004255700000000, 0.0002047700000000 ] - [ 0.0000301300000000, 0.0000754700000000, 0.0027409700000000 ] - [ -0.0005001800000000, -0.0006522300000000, -0.0024967600000000 ] - [ 0.0003498300000000, -0.0005642600000000, 0.0002221400000000 ] - [ -0.0000052200000000, -0.0003254000000000, -0.0003559000000000 ]- atom: 45 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0012805200000000, -0.0010792700000000, 0.0022298300000000 ] - [ -0.0002770700000000, -0.0000794700000000, -0.0014384300000000 ] - [ 0.0006894500000000, -0.0000598900000000, -0.0000014400000000 ] - [ 0.0003114100000000, -0.0001626300000000, -0.0003001700000000 ] - [ -0.0157041000000000, 0.0093224200000000, -0.0053772400000000 ] - [ -0.0042671100000000, -0.0003383900000000, 0.0000843900000000 ] - [ 0.0001616400000000, -0.0004187100000000, -0.0000036100000000 ] - [ -0.0000627400000000, -0.0001321700000000, -0.0001223800000000 ] - [ 0.0003024200000000, -0.0000295100000000, 0.0008091500000000 ] - [ 0.0008797600000000, -0.0004465500000000, -0.0017908700000000 ] - [ 0.0004868800000000, -0.0003343200000000, -0.0000043900000000 ] - [ 0.0004741300000000, 0.0004431800000000, -0.0007008000000000 ] - [ -0.0063216000000000, -0.0146596100000000, -0.0133344600000000 ] - [ -0.0013845200000000, 0.0012109500000000, 0.0002576000000000 ] - [ 0.0005425300000000, -0.0000900000000000, -0.0003042200000000 ] - [ 0.0003397200000000, -0.0003610700000000, -0.0004482700000000 ] - [ -0.0009628800000000, -0.0008353900000000, 0.0006852600000000 ] - [ 0.0001698200000000, 0.0010646200000000, -0.0007764600000000 ] - [ -0.0001925900000000, 0.0001038600000000, 0.0005335800000000 ] - [ -0.0001501200000000, -0.0005790800000000, -0.0002653800000000 ] - [ 0.0003997000000000, 0.0004399100000000, 0.0001045000000000 ] - [ -0.0004243300000000, -0.0003848800000000, 0.0003306500000000 ] - [ 0.0015870800000000, -0.0023557100000000, 0.0001184000000000 ] - [ -0.0010401300000000, 0.0007048500000000, 0.0002742800000000 ] - [ -0.0000014800000000, -0.0007318500000000, 0.0002766900000000 ] - [ 0.0016675000000000, -0.0005637400000000, 0.0000502400000000 ] - [ 0.0000033300000000, -0.0005846500000000, -0.0000880400000000 ] - [ 0.0016713500000000, -0.0008061400000000, 0.0002714000000000 ] - [ -0.0016594700000000, -0.0013656500000000, -0.0014085600000000 ] - [ -0.0003381800000000, 0.0026078100000000, 0.0015541200000000 ] - [ 0.0005944200000000, 0.0009666000000000, -0.0000500900000000 ] - [ 0.0006255500000000, 0.0002967100000000, 0.0003032300000000 ] - [ -0.0015998600000000, 0.0012257100000000, 0.0006515000000000 ] - [ 0.0002443300000000, -0.0021302800000000, -0.0005642800000000 ] - [ -0.0011108000000000, -0.0001655000000000, 0.0000700500000000 ] - [ -0.0003224300000000, 0.0009059000000000, -0.0004460100000000 ] - [ 0.0000046600000000, -0.0007445300000000, -0.0027342600000000 ] - [ -0.0009631700000000, -0.0001925000000000, 0.0012303800000000 ] - [ -0.0005326100000000, -0.0002685300000000, -0.0002566500000000 ] - [ -0.0006124100000000, -0.0004105200000000, 0.0000616000000000 ] - [ -0.0000621800000000, 0.0007250200000000, 0.0010346500000000 ] - [ 0.0004106800000000, -0.0000247800000000, -0.0020928900000000 ] - [ 0.0000328800000000, 0.0000085300000000, -0.0000703400000000 ] - [ -0.0000234700000000, 0.0000542900000000, -0.0002059400000000 ] - [ 0.2383925000000000, 0.0241805200000000, -0.0035757000000000 ] - [ -0.0045449400000000, -0.0001078200000000, 0.0002878400000000 ] - [ -0.0006599500000000, -0.0002607300000000, 0.0002472200000000 ] - [ -0.0010423900000000, -0.0002073900000000, 0.0001867900000000 ] - [ -0.0110143900000000, -0.0053077000000000, 0.0122428200000000 ] - [ -0.0025483800000000, 0.0009195600000000, -0.0007611900000000 ] - [ 0.0005686800000000, -0.0000644300000000, -0.0000097400000000 ] - [ 0.0003935200000000, -0.0001167900000000, -0.0001756000000000 ] - [ -0.0011628100000000, 0.0002809000000000, 0.0020699100000000 ] - [ -0.0015167200000000, 0.0002554100000000, -0.0015439600000000 ] - [ -0.0007309300000000, 0.0000896200000000, 0.0002927000000000 ] - [ -0.0009662900000000, 0.0000059400000000, 0.0000828200000000 ] - [ 0.0021240900000000, -0.0011834500000000, -0.0016469400000000 ] - [ -0.0049975800000000, -0.0009708100000000, -0.0016496400000000 ] - [ -0.0003461200000000, 0.0000349600000000, -0.0002857000000000 ] - [ -0.0003780600000000, -0.0001331100000000, -0.0002232400000000 ] - [ 0.0002531600000000, 0.0019169400000000, -0.0002068400000000 ] - [ 0.0009777800000000, -0.0011512700000000, 0.0005513100000000 ] - [ 0.0000813100000000, -0.0004079100000000, 0.0000147800000000 ] - [ 0.0004745500000000, 0.0002387900000000, 0.0002246800000000 ] - [ -0.0000433700000000, 0.0000531500000000, -0.0004961900000000 ] - [ 0.0001542700000000, 0.0002140700000000, 0.0000930600000000 ] - [ -0.0001089400000000, 0.0002192700000000, -0.0007134700000000 ] - [ 0.0002015900000000, 0.0002267300000000, 0.0002183700000000 ] - [ -0.0033153900000000, -0.0016478500000000, -0.0007173500000000 ] - [ 0.0012174700000000, -0.0000500600000000, -0.0003177200000000 ] - [ -0.0002653800000000, 0.0001153900000000, -0.0003552400000000 ] - [ 0.0002103200000000, -0.0001335500000000, -0.0002302900000000 ] - [ -0.0039843200000000, 0.0002660800000000, -0.0002394100000000 ] - [ 0.0009570100000000, 0.0004411300000000, 0.0000809800000000 ] - [ -0.0004449600000000, 0.0003332400000000, -0.0001127200000000 ] - [ 0.0001880100000000, 0.0002627800000000, 0.0001018000000000 ] - [ 0.0005621500000000, -0.0000447000000000, -0.0023682600000000 ] - [ 0.0005549200000000, -0.0009310000000000, 0.0017276100000000 ] - [ -0.0001063800000000, -0.0002029500000000, -0.0000304600000000 ] - [ -0.0000071700000000, -0.0001480400000000, 0.0001426000000000 ] - [ 0.0007521100000000, -0.0021606300000000, 0.0008027300000000 ] - [ 0.0004928900000000, 0.0011668100000000, -0.0008480700000000 ] - [ 0.0001620600000000, 0.0002276200000000, -0.0000910100000000 ] - [ -0.0000395400000000, -0.0006933200000000, -0.0001746300000000 ] - [ 0.0005143300000000, 0.0000664600000000, 0.0002316500000000 ] - [ -0.0025798300000000, 0.0001673900000000, 0.0001700900000000 ] - [ 0.0000347500000000, 0.0003762100000000, -0.0000908800000000 ] - [ -0.0000915600000000, 0.0004577300000000, -0.0001196100000000 ] - [ 0.0009903700000000, -0.0001308300000000, 0.0008353400000000 ] - [ -0.0022381600000000, -0.0014119800000000, -0.0008604200000000 ] - [ 0.0000899800000000, -0.0001947500000000, 0.0003987500000000 ] - [ -0.0000491800000000, -0.0002385500000000, 0.0003169200000000 ] - [ 0.0023724100000000, 0.0004263900000000, 0.0016725800000000 ] - [ -0.0043934100000000, 0.0003614300000000, 0.0027772300000000 ] - [ 0.0000769400000000, 0.0003333000000000, 0.0003668800000000 ] - [ -0.0000358900000000, 0.0003524700000000, 0.0003163800000000 ] - [ 0.0000667500000000, 0.0002626000000000, 0.0001164400000000 ] - [ 0.0003429700000000, 0.0001309400000000, 0.0003662000000000 ] - [ -0.0003567300000000, 0.0000358600000000, -0.0000629700000000 ] - [ 0.0006314700000000, 0.0001617900000000, 0.0003798600000000 ] - [ -0.0022261600000000, -0.0003635300000000, 0.0015245900000000 ] - [ 0.0004257100000000, 0.0001396800000000, -0.0009075300000000 ] - [ -0.0003944000000000, 0.0001877900000000, -0.0002325600000000 ] - [ -0.0003238200000000, 0.0001523500000000, -0.0002784200000000 ] - [ -0.1861812200000000, -0.0128205800000000, 0.0054477100000000 ] - [ 0.0053275600000000, -0.0009665100000000, -0.0000691200000000 ] - [ -0.0000329500000000, 0.0004694500000000, -0.0001419100000000 ] - [ 0.0004087600000000, 0.0004507900000000, 0.0000722500000000 ] - [ 0.0006645900000000, -0.0002387000000000, -0.0009768300000000 ] - [ -0.0013853500000000, 0.0013882700000000, 0.0015204200000000 ] - [ 0.0007288100000000, 0.0007100000000000, -0.0000865000000000 ] - [ -0.0011097100000000, -0.0008565600000000, 0.0005759100000000 ] - [ -0.0000871100000000, 0.0078226200000000, 0.0073595800000000 ] - [ 0.0018675800000000, -0.0015789100000000, -0.0014549500000000 ] - [ -0.0001471200000000, -0.0003594600000000, 0.0003305300000000 ] - [ 0.0000731300000000, 0.0004011900000000, -0.0000225300000000 ] - [ 0.0003560000000000, -0.0006748100000000, -0.0027580100000000 ] - [ 0.0008773500000000, 0.0000349800000000, 0.0024688900000000 ] - [ 0.0000337500000000, -0.0000467400000000, -0.0002475400000000 ] - [ 0.0003884300000000, -0.0002782300000000, 0.0003206100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016006500000000, -0.0004517500000000, -0.0030047400000000 ] - [ 0.0001972400000000, -0.0004905200000000, -0.0000961000000000 ] - [ 0.0003906100000000, 0.0006838300000000, 0.0001339500000000 ] - [ 0.0005588900000000, 0.0006104300000000, -0.0001565100000000 ] - [ -0.0116721700000000, -0.0034950100000000, -0.0018583900000000 ] - [ 0.0011259800000000, -0.0015739800000000, -0.0003851500000000 ] - [ -0.0000742400000000, 0.0008808300000000, -0.0002468600000000 ] - [ -0.0001823000000000, 0.0006464800000000, -0.0002082800000000 ] - [ 0.0004217100000000, 0.0000402800000000, -0.0007651300000000 ] - [ 0.0007600300000000, -0.0002387900000000, 0.0010169700000000 ] - [ 0.0003604100000000, 0.0007965600000000, -0.0005573400000000 ] - [ 0.0001854600000000, 0.0014110600000000, -0.0012309300000000 ] - [ 0.0112243000000000, 0.0031454200000000, 0.0068006800000000 ] - [ -0.0001845500000000, -0.0017527700000000, -0.0012352200000000 ] - [ 0.0005865000000000, 0.0013255100000000, 0.0003439400000000 ] - [ 0.0006401800000000, 0.0008056600000000, 0.0000879400000000 ] - [ 0.0001578700000000, 0.0000523800000000, 0.0001870000000000 ] - [ -0.0006391700000000, 0.0005718900000000, -0.0005483500000000 ] - [ -0.0001493400000000, 0.0004322100000000, 0.0003220000000000 ] - [ 0.0001971600000000, 0.0010055500000000, 0.0009226200000000 ] - [ -0.0012224900000000, 0.0022041500000000, -0.0007248600000000 ] - [ -0.0000528900000000, 0.0004494600000000, 0.0001599600000000 ] - [ 0.0008789100000000, 0.0013163600000000, 0.0012803000000000 ] - [ -0.0004675100000000, 0.0000538700000000, 0.0000324000000000 ] - [ 0.0006684600000000, -0.0004676100000000, 0.0001837700000000 ] - [ 0.0004658300000000, 0.0003345000000000, 0.0009989900000000 ] - [ 0.0005298700000000, -0.0004663700000000, 0.0002075200000000 ] - [ 0.0006814200000000, 0.0003375300000000, -0.0005865300000000 ] - [ 0.0026293700000000, 0.0012810200000000, 0.0009722800000000 ] - [ -0.0013445200000000, 0.0005607500000000, 0.0012230100000000 ] - [ 0.0002893800000000, 0.0013129200000000, 0.0001068200000000 ] - [ 0.0009649000000000, 0.0011870100000000, 0.0000388200000000 ] - [ -0.0009395900000000, 0.0004344000000000, 0.0001633200000000 ] - [ 0.0005548500000000, 0.0025322000000000, 0.0012456800000000 ] - [ -0.0003676700000000, 0.0006605800000000, -0.0001629200000000 ] - [ -0.0011622200000000, 0.0016690000000000, -0.0007908300000000 ] - [ -0.0007317700000000, -0.0007066600000000, 0.0017403500000000 ] - [ -0.0008302600000000, -0.0008184700000000, -0.0003215600000000 ] - [ -0.0005790300000000, 0.0005553200000000, -0.0004917400000000 ] - [ -0.0005599700000000, 0.0002580000000000, -0.0000660700000000 ] - [ -0.0000777800000000, -0.0013437700000000, -0.0006613100000000 ] - [ -0.0001659800000000, -0.0016642100000000, 0.0002882200000000 ] - [ 0.0001798000000000, 0.0009015900000000, 0.0000615100000000 ] - [ 0.0001875900000000, 0.0010908800000000, 0.0000000200000000 ] - [ -0.0254990900000000, -0.0340759600000000, -0.0004931600000000 ] - [ -0.0008952400000000, -0.0010490900000000, 0.0002384200000000 ] - [ -0.0007419900000000, 0.0006679900000000, 0.0002516900000000 ] - [ -0.0007921900000000, 0.0003954600000000, 0.0002144800000000 ] - [ 0.0068767100000000, -0.0061941300000000, -0.0033740100000000 ] - [ 0.0005526700000000, -0.0014665700000000, -0.0000912500000000 ] - [ 0.0004858000000000, 0.0007062000000000, -0.0001466000000000 ] - [ 0.0005158600000000, 0.0006454000000000, -0.0001970000000000 ] - [ -0.0007163600000000, -0.0008374400000000, 0.0000404100000000 ] - [ -0.0007357900000000, -0.0005570700000000, 0.0002468400000000 ] - [ -0.0009086900000000, 0.0006780200000000, 0.0002234100000000 ] - [ -0.0009946800000000, 0.0008160400000000, 0.0001786500000000 ] - [ -0.0000579100000000, 0.0008016500000000, -0.0007913800000000 ] - [ 0.0005406700000000, 0.0034111800000000, 0.0007027400000000 ] - [ -0.0003489200000000, -0.0005005700000000, -0.0002871200000000 ] - [ -0.0002748500000000, -0.0006792400000000, -0.0002904300000000 ] - [ -0.0008103300000000, -0.0008515600000000, 0.0007506900000000 ] - [ 0.0010246000000000, -0.0000701300000000, 0.0002874700000000 ] - [ 0.0004920100000000, -0.0006672900000000, 0.0000639700000000 ] - [ -0.0000919500000000, -0.0005470200000000, 0.0002384400000000 ] - [ 0.0001203500000000, -0.0001121800000000, -0.0003891000000000 ] - [ -0.0001211900000000, -0.0000463700000000, -0.0002452600000000 ] - [ -0.0001291800000000, -0.0001725000000000, -0.0001896300000000 ] - [ 0.0000618000000000, -0.0001957800000000, -0.0004148700000000 ] - [ 0.0009907300000000, 0.0000834800000000, -0.0005091200000000 ] - [ -0.0003267000000000, 0.0002122000000000, -0.0001090000000000 ] - [ -0.0000683400000000, -0.0010210300000000, -0.0001900900000000 ] - [ 0.0000808200000000, -0.0004071300000000, -0.0002764800000000 ] - [ 0.0000019100000000, -0.0012797300000000, 0.0014297700000000 ] - [ 0.0000162200000000, 0.0004368300000000, 0.0000159300000000 ] - [ -0.0001665300000000, -0.0007982000000000, -0.0000181400000000 ] - [ -0.0000986200000000, -0.0001092400000000, 0.0000759400000000 ] - [ -0.0003491800000000, 0.0003508500000000, 0.0003293400000000 ] - [ 0.0000233100000000, 0.0008005800000000, -0.0000115700000000 ] - [ -0.0000278200000000, -0.0007360900000000, 0.0000323400000000 ] - [ -0.0000651400000000, -0.0008379500000000, 0.0000367800000000 ] - [ 0.0008145200000000, -0.0008970500000000, 0.0002459300000000 ] - [ -0.0010730800000000, -0.0007140800000000, 0.0004056100000000 ] - [ -0.0002066500000000, -0.0009479200000000, -0.0000529300000000 ] - [ 0.0002627700000000, -0.0009111900000000, -0.0002418800000000 ] - [ 0.0000053200000000, 0.0009211400000000, -0.0003208200000000 ] - [ -0.0000790300000000, 0.0008728600000000, 0.0024341200000000 ] - [ -0.0000501500000000, -0.0001067600000000, -0.0000706900000000 ] - [ 0.0000314300000000, -0.0003020000000000, -0.0001907800000000 ] - [ -0.0001979900000000, 0.0001006400000000, 0.0003723100000000 ] - [ 0.0013653400000000, 0.0003658500000000, -0.0021745300000000 ] - [ 0.0000374600000000, -0.0006811100000000, 0.0003027600000000 ] - [ -0.0000864000000000, -0.0008344400000000, 0.0003657500000000 ] - [ -0.0001286600000000, 0.0018474900000000, 0.0004227600000000 ] - [ -0.0002948500000000, 0.0034517000000000, 0.0006111000000000 ] - [ 0.0000837700000000, -0.0002108000000000, 0.0003784300000000 ] - [ 0.0000439700000000, -0.0002212300000000, 0.0003788400000000 ] - [ 0.0001205200000000, -0.0003248300000000, 0.0005430600000000 ] - [ 0.0003155100000000, -0.0000953400000000, 0.0000168100000000 ] - [ 0.0004134200000000, -0.0003046400000000, -0.0004893600000000 ] - [ 0.0001014200000000, -0.0000588700000000, 0.0003157300000000 ] - [ -0.0000652500000000, 0.0023786000000000, 0.0004636400000000 ] - [ -0.0002538800000000, 0.0008268800000000, -0.0003209600000000 ] - [ -0.0004124800000000, -0.0004272000000000, -0.0002258100000000 ] - [ -0.0004061900000000, -0.0003234000000000, -0.0002039600000000 ] - [ 0.0155703800000000, 0.0326089500000000, -0.0016858800000000 ] - [ 0.0000381600000000, 0.0025864100000000, 0.0002460400000000 ] - [ 0.0001204100000000, -0.0011143200000000, -0.0002325900000000 ] - [ 0.0001811000000000, -0.0007786500000000, -0.0000541700000000 ] - [ 0.0000401300000000, -0.0003268400000000, -0.0001005300000000 ] - [ -0.0001775000000000, -0.0013814900000000, -0.0021878900000000 ] - [ -0.0000999200000000, -0.0004480500000000, 0.0002411300000000 ] - [ 0.0002835100000000, -0.0014270400000000, 0.0013134600000000 ] - [ -0.0009877700000000, -0.0036491600000000, -0.0044061000000000 ] - [ 0.0015542500000000, 0.0009831100000000, 0.0007417600000000 ] - [ 0.0004070800000000, -0.0019204400000000, 0.0002963200000000 ] - [ -0.0003309700000000, -0.0008861200000000, -0.0000409800000000 ] - [ -0.0002129200000000, 0.0013470100000000, 0.0018556700000000 ] - [ 0.0001768800000000, 0.0010774100000000, -0.0008172300000000 ] - [ 0.0002283600000000, -0.0012897000000000, -0.0001867400000000 ] - [ 0.0002713100000000, -0.0016567200000000, 0.0003002300000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006228300000000, 0.0004490800000000, 0.0027760100000000 ] - [ 0.0007758500000000, 0.0004854100000000, -0.0001281200000000 ] - [ 0.0005901500000000, -0.0006949500000000, -0.0003674300000000 ] - [ 0.0004234700000000, -0.0006234000000000, -0.0000819500000000 ] - [ 0.0117448500000000, 0.0032517700000000, 0.0016652400000000 ] - [ -0.0010641200000000, 0.0012745900000000, 0.0001897600000000 ] - [ 0.0001366800000000, -0.0011779500000000, 0.0000487600000000 ] - [ 0.0002446800000000, -0.0009473700000000, 0.0000117300000000 ] - [ 0.0004845500000000, 0.0001926400000000, 0.0000961900000000 ] - [ 0.0001383700000000, 0.0004966600000000, -0.0017184900000000 ] - [ 0.0005469800000000, -0.0005654400000000, -0.0001135700000000 ] - [ 0.0007250600000000, -0.0011877100000000, 0.0005657300000000 ] - [ -0.0102425500000000, -0.0034099000000000, -0.0074409400000000 ] - [ 0.0010887500000000, 0.0015113500000000, 0.0005581300000000 ] - [ 0.0003203200000000, -0.0015606700000000, -0.0010188500000000 ] - [ 0.0002662900000000, -0.0010366400000000, -0.0007594900000000 ] - [ -0.0004510800000000, -0.0000779600000000, 0.0002644100000000 ] - [ 0.0003594700000000, -0.0005711700000000, 0.0009984000000000 ] - [ -0.0001283500000000, -0.0004310000000000, 0.0001377600000000 ] - [ -0.0004900600000000, -0.0010323600000000, -0.0004769200000000 ] - [ 0.0009454400000000, -0.0021980800000000, 0.0011840500000000 ] - [ -0.0002355200000000, -0.0004340000000000, 0.0002933800000000 ] - [ -0.0011426900000000, -0.0013237800000000, -0.0008160900000000 ] - [ 0.0001789400000000, -0.0000427900000000, 0.0004208000000000 ] - [ 0.0006045700000000, -0.0007582600000000, 0.0001282800000000 ] - [ 0.0008390300000000, -0.0015675000000000, -0.0006926300000000 ] - [ 0.0007621900000000, -0.0007631800000000, 0.0001028900000000 ] - [ 0.0005975900000000, -0.0015617700000000, 0.0008921200000000 ] - [ -0.0013561600000000, -0.0000615200000000, -0.0006663700000000 ] - [ 0.0026226400000000, 0.0006626800000000, -0.0009022100000000 ] - [ 0.0010075600000000, -0.0000820900000000, 0.0002050500000000 ] - [ 0.0003256500000000, 0.0000414500000000, 0.0002742800000000 ] - [ -0.0002312700000000, 0.0000956900000000, -0.0003014300000000 ] - [ -0.0017417600000000, -0.0020098700000000, -0.0013668200000000 ] - [ -0.0008085800000000, -0.0001329300000000, 0.0000435900000000 ] - [ -0.0000094500000000, -0.0011359800000000, 0.0006407100000000 ] - [ -0.0004374800000000, 0.0001762900000000, -0.0018838800000000 ] - [ -0.0003441300000000, 0.0002846600000000, 0.0002010800000000 ] - [ -0.0005955800000000, -0.0010869600000000, 0.0003717700000000 ] - [ -0.0006148900000000, -0.0007877400000000, -0.0000565800000000 ] - [ 0.0001401200000000, 0.0016499200000000, 0.0004661300000000 ] - [ 0.0002212100000000, 0.0019507600000000, -0.0004909100000000 ] - [ -0.0001198100000000, -0.0006049800000000, -0.0002614500000000 ] - [ -0.0001246800000000, -0.0007904200000000, -0.0002000600000000 ] - [ 0.0245585500000000, 0.0340914100000000, 0.0007640800000000 ] - [ -0.0008228300000000, 0.0007617200000000, 0.0001714900000000 ] - [ -0.0009619500000000, -0.0009531100000000, 0.0001606300000000 ] - [ -0.0009182000000000, -0.0006805500000000, 0.0001972300000000 ] - [ -0.0059411800000000, 0.0061442400000000, 0.0031646900000000 ] - [ 0.0004256200000000, 0.0014784800000000, -0.0001497700000000 ] - [ 0.0004940000000000, -0.0006956900000000, -0.0000876800000000 ] - [ 0.0004639800000000, -0.0006331700000000, -0.0000418000000000 ] - [ -0.0009960000000000, 0.0011288500000000, 0.0003733900000000 ] - [ -0.0009561200000000, 0.0008418000000000, 0.0001605100000000 ] - [ -0.0007963900000000, -0.0003927000000000, 0.0001881100000000 ] - [ -0.0007182600000000, -0.0005304500000000, 0.0002316000000000 ] - [ -0.0006564300000000, -0.0010092000000000, 0.0002743800000000 ] - [ -0.0013326200000000, -0.0036331100000000, -0.0012590100000000 ] - [ -0.0003752600000000, 0.0003019300000000, -0.0002244000000000 ] - [ -0.0004485600000000, 0.0004786800000000, -0.0002213600000000 ] - [ 0.0012619800000000, 0.0006693900000000, -0.0003818100000000 ] - [ -0.0005584700000000, -0.0001187900000000, 0.0000792400000000 ] - [ -0.0000342600000000, 0.0004769900000000, 0.0003018800000000 ] - [ 0.0005544500000000, 0.0003574700000000, 0.0001270000000000 ] - [ -0.0001316500000000, 0.0002813000000000, -0.0001186000000000 ] - [ 0.0001118700000000, 0.0002155400000000, -0.0002624100000000 ] - [ 0.0001177100000000, 0.0003454100000000, -0.0003192800000000 ] - [ -0.0000709000000000, 0.0003679900000000, -0.0000920700000000 ] - [ -0.0010242900000000, -0.0000290300000000, 0.0000376200000000 ] - [ 0.0003193300000000, -0.0003805700000000, -0.0003984800000000 ] - [ 0.0000589000000000, 0.0008544500000000, -0.0003181900000000 ] - [ -0.0000910100000000, 0.0002352400000000, -0.0002315600000000 ] - [ -0.0001036000000000, 0.0016276200000000, -0.0013109800000000 ] - [ -0.0001409100000000, 0.0000851300000000, 0.0000628900000000 ] - [ 0.0000363600000000, 0.0013183100000000, 0.0000955300000000 ] - [ -0.0000275000000000, 0.0006341300000000, 0.0000030900000000 ] - [ 0.0002249800000000, -0.0008718400000000, -0.0002610300000000 ] - [ -0.0001491500000000, -0.0013241700000000, 0.0000918000000000 ] - [ -0.0000995000000000, 0.0002112200000000, 0.0000460700000000 ] - [ -0.0000616900000000, 0.0003135300000000, 0.0000421200000000 ] - [ -0.0008453000000000, 0.0002317500000000, -0.0004669600000000 ] - [ 0.0010494200000000, 0.0000571100000000, -0.0006330800000000 ] - [ 0.0001767700000000, 0.0002935800000000, -0.0001698800000000 ] - [ -0.0002892500000000, 0.0002535900000000, 0.0000167000000000 ] - [ -0.0000322500000000, -0.0002639600000000, 0.0000971900000000 ] - [ 0.0000423400000000, -0.0002040800000000, -0.0026569200000000 ] - [ 0.0000214200000000, 0.0007622600000000, -0.0001538000000000 ] - [ -0.0000608700000000, 0.0009587200000000, -0.0000325700000000 ] - [ 0.0002456600000000, -0.0006656000000000, 0.0003278100000000 ] - [ -0.0013260500000000, -0.0009493300000000, 0.0028714800000000 ] - [ 0.0000081600000000, 0.0001183000000000, 0.0003966300000000 ] - [ 0.0001307000000000, 0.0002705200000000, 0.0003340900000000 ] - [ 0.0001820400000000, -0.0012812700000000, 0.0002837500000000 ] - [ 0.0003445400000000, -0.0028899600000000, 0.0000754800000000 ] - [ -0.0000386800000000, 0.0007741800000000, 0.0003213500000000 ] - [ 0.0000019300000000, 0.0007845100000000, 0.0003201900000000 ] - [ 0.0003405200000000, 0.0005145600000000, -0.0001807500000000 ] - [ 0.0001448900000000, 0.0002840100000000, 0.0003498000000000 ] - [ 0.0000462300000000, 0.0004946300000000, 0.0008494600000000 ] - [ 0.0003597600000000, 0.0002504800000000, 0.0000520000000000 ] - [ -0.0006558500000000, -0.0021844400000000, -0.0009606300000000 ] - [ -0.0004713600000000, -0.0006284400000000, -0.0001907800000000 ] - [ -0.0003122600000000, 0.0006271100000000, -0.0002862100000000 ] - [ -0.0003180500000000, 0.0005225300000000, -0.0003073000000000 ] - [ -0.0159325800000000, -0.0322605300000000, 0.0016774100000000 ] - [ 0.0003576700000000, -0.0019666700000000, -0.0002652800000000 ] - [ 0.0002686300000000, 0.0017277900000000, 0.0002122200000000 ] - [ 0.0002113300000000, 0.0013969300000000, 0.0000343600000000 ] - [ -0.0001096100000000, 0.0003491700000000, 0.0002792200000000 ] - [ 0.0001023000000000, 0.0014110700000000, 0.0023888600000000 ] - [ 0.0000240500000000, 0.0004882000000000, -0.0000610200000000 ] - [ -0.0003564900000000, 0.0014554300000000, -0.0011189200000000 ] - [ 0.0009107600000000, 0.0036483000000000, 0.0046095200000000 ] - [ -0.0016226300000000, -0.0010072600000000, -0.0005600000000000 ] - [ -0.0004843800000000, 0.0018958700000000, -0.0001175600000000 ] - [ 0.0002568700000000, 0.0008506900000000, 0.0002181200000000 ] - [ 0.0006018100000000, -0.0019740300000000, -0.0018806700000000 ] - [ 0.0002147900000000, -0.0017027600000000, 0.0008062800000000 ] - [ 0.0001590300000000, 0.0006789000000000, 0.0001582400000000 ] - [ 0.0001135000000000, 0.0010450800000000, -0.0003248200000000 ]- atom: 45 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ -0.0001543800000000, -0.0020886700000000, 0.0034802200000000 ] - [ 0.0002558900000000, 0.0003878000000000, -0.0000145400000000 ] - [ 0.0005325200000000, 0.0000939900000000, 0.0000246000000000 ] - [ 0.0004371500000000, -0.0000527600000000, -0.0001133800000000 ] - [ -0.0042982100000000, 0.0038882700000000, -0.0078571500000000 ] - [ -0.0028653500000000, -0.0005607400000000, -0.0012063800000000 ] - [ 0.0000942200000000, -0.0002378400000000, -0.0001166600000000 ] - [ -0.0000339400000000, -0.0001021100000000, -0.0001407100000000 ] - [ 0.0003280700000000, -0.0004030500000000, 0.0011361600000000 ] - [ 0.0010428100000000, 0.0006980200000000, -0.0007871600000000 ] - [ 0.0004363200000000, -0.0002529300000000, -0.0000190100000000 ] - [ 0.0005937000000000, -0.0000776300000000, -0.0003089200000000 ] - [ 0.0039425400000000, -0.0029750300000000, -0.0073867400000000 ] - [ -0.0012867000000000, 0.0007112900000000, -0.0003374600000000 ] - [ 0.0004952000000000, -0.0002031700000000, -0.0004038900000000 ] - [ 0.0003792600000000, -0.0002403300000000, -0.0004055700000000 ] - [ -0.0010230000000000, -0.0008995400000000, 0.0006297100000000 ] - [ 0.0005640300000000, -0.0004869200000000, -0.0002045100000000 ] - [ -0.0002268500000000, -0.0000461800000000, 0.0004461800000000 ] - [ 0.0000312700000000, 0.0000220400000000, -0.0000082600000000 ] - [ 0.0004043100000000, -0.0001996000000000, 0.0002442700000000 ] - [ -0.0004173400000000, -0.0002301000000000, 0.0003229800000000 ] - [ 0.0007493500000000, -0.0003003600000000, 0.0001633200000000 ] - [ -0.0009202600000000, 0.0004486800000000, 0.0003366600000000 ] - [ 0.0004804000000000, -0.0007246200000000, 0.0002784000000000 ] - [ 0.0011248800000000, 0.0000272300000000, -0.0000651900000000 ] - [ 0.0001822500000000, -0.0006209600000000, 0.0000715800000000 ] - [ 0.0013062100000000, -0.0014205700000000, 0.0000593500000000 ] - [ 0.0006472200000000, 0.0001779100000000, -0.0001376700000000 ] - [ -0.0010659200000000, 0.0026242200000000, 0.0013719100000000 ] - [ 0.0007914500000000, 0.0007745800000000, 0.0001135400000000 ] - [ 0.0005135400000000, 0.0003405200000000, 0.0001865000000000 ] - [ -0.0011019200000000, 0.0007946100000000, 0.0003779300000000 ] - [ -0.0001865900000000, -0.0004166600000000, -0.0010596500000000 ] - [ -0.0009540400000000, -0.0000656500000000, -0.0001320900000000 ] - [ -0.0004361200000000, 0.0006064300000000, -0.0008281600000000 ] - [ 0.0001792800000000, 0.0000029000000000, -0.0006588500000000 ] - [ -0.0014238100000000, -0.0005870400000000, 0.0018841300000000 ] - [ -0.0004661200000000, -0.0003507600000000, -0.0000612500000000 ] - [ -0.0006840600000000, -0.0003163700000000, 0.0000954700000000 ] - [ -0.0006240400000000, 0.0005933800000000, 0.0017321900000000 ] - [ 0.0015276600000000, 0.0009638600000000, 0.0013366000000000 ] - [ 0.0000178100000000, 0.0000674400000000, -0.0000404600000000 ] - [ 0.0000356200000000, 0.0000993000000000, -0.0000903800000000 ] - [ 0.1383796600000000, 0.0131075500000000, -0.0288671900000000 ] - [ -0.0029903100000000, -0.0000962800000000, 0.0000089900000000 ] - [ -0.0007763000000000, -0.0001730100000000, 0.0001733200000000 ] - [ -0.0009423400000000, -0.0001735300000000, 0.0001892700000000 ] - [ -0.0178994000000000, -0.0057451300000000, 0.0079468900000000 ] - [ -0.0003403700000000, 0.0003104100000000, -0.0008876500000000 ] - [ 0.0004974500000000, -0.0000049600000000, -0.0001321800000000 ] - [ 0.0004749900000000, -0.0000255200000000, -0.0001690500000000 ] - [ -0.0025679200000000, 0.0003573600000000, 0.0025148600000000 ] - [ 0.0002190200000000, 0.0001715700000000, -0.0000632600000000 ] - [ -0.0008595000000000, 0.0001010800000000, 0.0003128800000000 ] - [ -0.0008284700000000, 0.0000904700000000, 0.0002104700000000 ] - [ 0.0016222000000000, -0.0013402600000000, -0.0008252800000000 ] - [ -0.0021041900000000, 0.0000549500000000, 0.0019291900000000 ] - [ -0.0003457200000000, -0.0000137000000000, -0.0002600400000000 ] - [ -0.0003857000000000, -0.0001112100000000, -0.0002046400000000 ] - [ 0.0003941800000000, 0.0017097900000000, 0.0007494300000000 ] - [ 0.0005172900000000, -0.0005797600000000, 0.0006200000000000 ] - [ 0.0002171500000000, -0.0002650300000000, 0.0001881400000000 ] - [ 0.0002661100000000, 0.0000329800000000, 0.0002634600000000 ] - [ 0.0002795000000000, -0.0000337800000000, -0.0005533500000000 ] - [ -0.0001505100000000, 0.0000799100000000, -0.0001803000000000 ] - [ 0.0000824400000000, 0.0003228700000000, -0.0007208200000000 ] - [ -0.0000576200000000, 0.0000987900000000, -0.0002132500000000 ] - [ -0.0016346400000000, -0.0014247700000000, 0.0016106800000000 ] - [ 0.0006335900000000, -0.0000186100000000, -0.0001019100000000 ] - [ -0.0000840000000000, 0.0000714000000000, -0.0001613000000000 ] - [ 0.0000914600000000, -0.0001116800000000, -0.0002595600000000 ] - [ -0.0021837000000000, 0.0012157900000000, 0.0017518900000000 ] - [ 0.0005139500000000, 0.0003418800000000, -0.0000089300000000 ] - [ -0.0002413300000000, 0.0001407900000000, 0.0000948300000000 ] - [ 0.0000670800000000, 0.0002290400000000, 0.0000942300000000 ] - [ 0.0011055500000000, -0.0000700300000000, -0.0025205500000000 ] - [ -0.0005910400000000, -0.0003055500000000, 0.0002828100000000 ] - [ -0.0000457400000000, -0.0002269200000000, -0.0000061200000000 ] - [ -0.0000874700000000, -0.0002478900000000, 0.0000592700000000 ] - [ 0.0000991000000000, -0.0011344000000000, 0.0002387300000000 ] - [ 0.0006677100000000, 0.0009397700000000, -0.0002396800000000 ] - [ -0.0000009300000000, -0.0001838400000000, -0.0000165900000000 ] - [ 0.0000230700000000, -0.0006527700000000, -0.0000917200000000 ] - [ 0.0003767900000000, 0.0001218100000000, -0.0003010200000000 ] - [ -0.0014058500000000, 0.0025632400000000, -0.0026988100000000 ] - [ -0.0000122600000000, 0.0003723500000000, -0.0001277800000000 ] - [ -0.0000192300000000, 0.0002978800000000, -0.0001317900000000 ] - [ 0.0001704800000000, -0.0001830800000000, 0.0003410700000000 ] - [ 0.0002255300000000, -0.0032215600000000, -0.0023350100000000 ] - [ 0.0000490600000000, -0.0002357700000000, 0.0003600600000000 ] - [ 0.0000103400000000, -0.0001900100000000, 0.0003352400000000 ] - [ 0.0006948000000000, 0.0005426800000000, 0.0009546300000000 ] - [ -0.0039657400000000, 0.0004111000000000, 0.0059152300000000 ] - [ 0.0000335000000000, 0.0003008000000000, 0.0003475700000000 ] - [ 0.0000040000000000, 0.0003055900000000, 0.0003431900000000 ] - [ 0.0001178600000000, 0.0004667300000000, 0.0000678500000000 ] - [ 0.0003056600000000, -0.0000332100000000, 0.0001325200000000 ] - [ 0.0000441700000000, -0.0002507600000000, -0.0002569900000000 ] - [ 0.0003219600000000, 0.0002531100000000, -0.0000096700000000 ] - [ -0.0033077300000000, 0.0005402400000000, -0.0022418700000000 ] - [ 0.0006301000000000, 0.0001712800000000, -0.0012359700000000 ] - [ -0.0003876800000000, 0.0001249800000000, -0.0002557000000000 ] - [ -0.0003294300000000, 0.0001165600000000, -0.0002903000000000 ] - [ -0.1087823000000000, -0.0081827000000000, 0.0279682700000000 ] - [ 0.0031655500000000, -0.0004053500000000, 0.0010729000000000 ] - [ 0.0001170700000000, 0.0003779200000000, 0.0000378200000000 ] - [ 0.0002908400000000, 0.0003471300000000, 0.0000600300000000 ] - [ 0.0002179800000000, 0.0001761700000000, -0.0007785700000000 ] - [ -0.0009001200000000, -0.0003027700000000, 0.0011706100000000 ] - [ 0.0006040300000000, 0.0007032300000000, 0.0000628900000000 ] - [ -0.0008499900000000, 0.0005181600000000, 0.0008632300000000 ] - [ -0.0007432100000000, 0.0015483100000000, 0.0015305500000000 ] - [ 0.0023656400000000, -0.0009020600000000, -0.0015350900000000 ] - [ -0.0003004800000000, 0.0000635800000000, 0.0001618100000000 ] - [ 0.0001576800000000, 0.0002370100000000, -0.0000311200000000 ] - [ 0.0017780200000000, -0.0006728100000000, -0.0037890400000000 ] - [ -0.0010099700000000, -0.0015018700000000, 0.0000199300000000 ] - [ 0.0001912600000000, -0.0001829100000000, -0.0003088300000000 ] - [ 0.0001831100000000, -0.0001956900000000, -0.0000815000000000 ]- atom: 45 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0011397700000000, 0.0020567900000000, -0.0037143200000000 ] - [ 0.0007162500000000, -0.0004004800000000, -0.0002310500000000 ] - [ 0.0004461500000000, -0.0001052200000000, -0.0002644700000000 ] - [ 0.0005448300000000, 0.0000354100000000, -0.0001413500000000 ] - [ 0.0043067000000000, -0.0041907100000000, 0.0077152700000000 ] - [ 0.0029020000000000, 0.0002685700000000, 0.0009882800000000 ] - [ -0.0000336000000000, -0.0000646700000000, -0.0000799100000000 ] - [ 0.0000974800000000, -0.0002042000000000, -0.0000544400000000 ] - [ 0.0005817100000000, 0.0006235700000000, -0.0017970800000000 ] - [ -0.0001373100000000, -0.0004667400000000, 0.0001174200000000 ] - [ 0.0004705100000000, 0.0004913400000000, -0.0006571500000000 ] - [ 0.0003148100000000, 0.0003032600000000, -0.0003578900000000 ] - [ -0.0031129300000000, 0.0026695600000000, 0.0066574900000000 ] - [ 0.0021780300000000, -0.0009434400000000, -0.0003489100000000 ] - [ 0.0004088400000000, -0.0000359900000000, -0.0002756800000000 ] - [ 0.0005269700000000, 0.0000054100000000, -0.0002698800000000 ] - [ 0.0007411000000000, 0.0008903900000000, -0.0001776200000000 ] - [ -0.0008510600000000, 0.0004662900000000, 0.0006570800000000 ] - [ -0.0000547000000000, 0.0000362800000000, 0.0000098700000000 ] - [ -0.0003173800000000, -0.0000389200000000, 0.0004598400000000 ] - [ -0.0006954600000000, 0.0002269800000000, 0.0002001100000000 ] - [ 0.0001294100000000, 0.0002438400000000, 0.0001275100000000 ] - [ -0.0010313100000000, 0.0002979300000000, 0.0002850500000000 ] - [ 0.0006222600000000, -0.0004122300000000, 0.0001088600000000 ] - [ 0.0007990700000000, -0.0005090000000000, 0.0000339400000000 ] - [ 0.0001603800000000, -0.0012591000000000, 0.0003804000000000 ] - [ 0.0011089600000000, -0.0006081400000000, 0.0002377400000000 ] - [ -0.0000233800000000, 0.0001893800000000, 0.0002552700000000 ] - [ 0.0006179600000000, 0.0010398800000000, 0.0004391600000000 ] - [ 0.0023633900000000, -0.0013686200000000, -0.0010604100000000 ] - [ 0.0005018300000000, 0.0004600800000000, 0.0001966400000000 ] - [ 0.0007722600000000, 0.0008893800000000, 0.0001233600000000 ] - [ -0.0000705100000000, -0.0002666100000000, -0.0005026200000000 ] - [ -0.0009802800000000, 0.0009533000000000, 0.0009418900000000 ] - [ -0.0002181500000000, 0.0005984700000000, 0.0000171800000000 ] - [ -0.0007331300000000, -0.0000785800000000, 0.0007129700000000 ] - [ -0.0013431100000000, -0.0005321300000000, 0.0005201000000000 ] - [ 0.0002435800000000, 0.0000602300000000, -0.0019889900000000 ] - [ -0.0007071600000000, -0.0001823700000000, -0.0000518000000000 ] - [ -0.0004877500000000, -0.0002157200000000, -0.0002122100000000 ] - [ 0.0006920000000000, -0.0002941000000000, -0.0019222200000000 ] - [ -0.0014722000000000, -0.0006587800000000, -0.0015309100000000 ] - [ 0.0000434400000000, 0.0002330700000000, -0.0001578200000000 ] - [ 0.0000312000000000, 0.0002124400000000, -0.0001025400000000 ] - [ -0.1432597600000000, -0.0139437700000000, 0.0281803400000000 ] - [ 0.0012957100000000, -0.0001880300000000, 0.0004055800000000 ] - [ -0.0009254100000000, -0.0001171500000000, 0.0002371100000000 ] - [ -0.0007684300000000, -0.0001169900000000, 0.0002217900000000 ] - [ 0.0191888900000000, 0.0058790200000000, -0.0083275700000000 ] - [ 0.0013155500000000, -0.0002989400000000, 0.0006530600000000 ] - [ 0.0004776000000000, 0.0000159400000000, -0.0001087700000000 ] - [ 0.0005029300000000, 0.0000398400000000, -0.0000799300000000 ] - [ 0.0008607300000000, -0.0000764900000000, -0.0020967100000000 ] - [ -0.0019247400000000, 0.0001167400000000, 0.0004716100000000 ] - [ -0.0008408100000000, 0.0001889500000000, 0.0000978100000000 ] - [ -0.0008920700000000, 0.0001996900000000, 0.0002010000000000 ] - [ -0.0023425700000000, 0.0011466900000000, 0.0003034800000000 ] - [ 0.0013828600000000, -0.0002474600000000, -0.0024285500000000 ] - [ -0.0003767000000000, -0.0001859600000000, -0.0002515200000000 ] - [ -0.0003381300000000, -0.0000877600000000, -0.0003061200000000 ] - [ 0.0000704000000000, -0.0019014400000000, -0.0003949000000000 ] - [ -0.0000602900000000, 0.0003875300000000, -0.0002517300000000 ] - [ 0.0002433700000000, 0.0000741400000000, 0.0001748500000000 ] - [ 0.0001923500000000, -0.0002227300000000, 0.0001017900000000 ] - [ -0.0002883700000000, 0.0002065400000000, 0.0000445900000000 ] - [ 0.0001393000000000, 0.0000894800000000, -0.0003262300000000 ] - [ -0.0000915700000000, -0.0001575600000000, 0.0002114400000000 ] - [ 0.0000464100000000, 0.0000716700000000, -0.0002915700000000 ] - [ 0.0016095100000000, 0.0012732700000000, -0.0021123600000000 ] - [ -0.0006388400000000, -0.0001513500000000, -0.0004086400000000 ] - [ 0.0000728000000000, -0.0002414400000000, -0.0003459600000000 ] - [ -0.0001009200000000, -0.0000571400000000, -0.0002485400000000 ] - [ 0.0020451700000000, -0.0007092300000000, -0.0016606800000000 ] - [ -0.0006386500000000, 0.0001836700000000, 0.0000879600000000 ] - [ 0.0001117400000000, 0.0003856700000000, -0.0000156600000000 ] - [ -0.0001950000000000, 0.0002941900000000, -0.0000146400000000 ] - [ -0.0012347400000000, -0.0004581000000000, 0.0025963900000000 ] - [ 0.0004613500000000, -0.0002195600000000, -0.0002018900000000 ] - [ -0.0000825200000000, -0.0002969200000000, 0.0000850900000000 ] - [ -0.0000414300000000, -0.0002757400000000, 0.0000208200000000 ] - [ -0.0001222300000000, 0.0004709700000000, -0.0004600600000000 ] - [ -0.0006943300000000, -0.0015840000000000, 0.0000173700000000 ] - [ -0.0000253700000000, -0.0004690900000000, -0.0002099800000000 ] - [ -0.0000527700000000, -0.0000046800000000, -0.0001317600000000 ] - [ -0.0004096600000000, 0.0005310100000000, 0.0000772000000000 ] - [ 0.0013932500000000, -0.0019128100000000, 0.0024663000000000 ] - [ -0.0000159900000000, 0.0002838300000000, -0.0000973200000000 ] - [ -0.0000088900000000, 0.0003576500000000, -0.0000938200000000 ] - [ -0.0001290100000000, -0.0003776600000000, 0.0003574900000000 ] - [ -0.0001681000000000, 0.0026712200000000, 0.0030263100000000 ] - [ -0.0000046700000000, -0.0003260500000000, 0.0003386500000000 ] - [ 0.0000349400000000, -0.0003714100000000, 0.0003631100000000 ] - [ -0.0006385900000000, 0.0000186900000000, -0.0002541200000000 ] - [ 0.0036174400000000, 0.0001729600000000, -0.0048467000000000 ] - [ 0.0000121400000000, 0.0002609700000000, 0.0003501900000000 ] - [ 0.0000401800000000, 0.0002558800000000, 0.0003561000000000 ] - [ 0.0003388300000000, -0.0002743300000000, 0.0002983500000000 ] - [ 0.0001548800000000, 0.0002233400000000, 0.0002317500000000 ] - [ 0.0004098300000000, 0.0004383700000000, 0.0006237400000000 ] - [ 0.0001422900000000, -0.0000637000000000, 0.0003745300000000 ] - [ 0.0025658500000000, -0.0003423700000000, 0.0017459400000000 ] - [ -0.0013410700000000, 0.0000306100000000, 0.0007227000000000 ] - [ -0.0003363600000000, 0.0000743700000000, -0.0002548500000000 ] - [ -0.0003932700000000, 0.0000827900000000, -0.0002208000000000 ] - [ 0.1125572400000000, 0.0092201000000000, -0.0271814200000000 ] - [ -0.0027471700000000, 0.0010140200000000, -0.0010807500000000 ] - [ 0.0002768000000000, 0.0002366800000000, -0.0000595500000000 ] - [ 0.0000932500000000, 0.0002624200000000, -0.0000862800000000 ] - [ -0.0002852700000000, -0.0001431100000000, 0.0009554500000000 ] - [ 0.0008343000000000, 0.0003258900000000, -0.0009872900000000 ] - [ -0.0006813100000000, -0.0006813100000000, 0.0001190500000000 ] - [ 0.0007671700000000, -0.0004889600000000, -0.0006831500000000 ] - [ 0.0006701900000000, -0.0015282700000000, -0.0012942600000000 ] - [ -0.0024264700000000, 0.0008677000000000, 0.0017304100000000 ] - [ 0.0002322600000000, -0.0000955300000000, 0.0000257000000000 ] - [ -0.0002317800000000, -0.0002636700000000, 0.0002113400000000 ] - [ -0.0013976200000000, 0.0000691800000000, 0.0037496300000000 ] - [ 0.0014058700000000, 0.0008923200000000, -0.0000438400000000 ] - [ 0.0001960600000000, -0.0004353700000000, 0.0002883800000000 ] - [ 0.0002000300000000, -0.0004140600000000, 0.0000473600000000 ]- atom: 57 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0006977800000000, 0.0002170700000000, 0.0009034300000000 ] - [ 0.0008137600000000, -0.0000220900000000, -0.0008499500000000 ] - [ 0.0004415500000000, 0.0000476300000000, -0.0000516000000000 ] - [ 0.0005389200000000, 0.0000301000000000, -0.0001606200000000 ] - [ 0.0030577500000000, 0.0000975600000000, -0.0005720100000000 ] - [ -0.0017382200000000, 0.0001405900000000, -0.0008295300000000 ] - [ 0.0000521700000000, -0.0000861400000000, -0.0001165400000000 ] - [ -0.0000134500000000, -0.0000924200000000, -0.0001076300000000 ] - [ 0.0025948800000000, 0.0003697800000000, 0.0004745200000000 ] - [ -0.0001522700000000, 0.0001079900000000, -0.0007204700000000 ] - [ 0.0005015300000000, 0.0001253600000000, -0.0003052600000000 ] - [ 0.0003715900000000, 0.0002567000000000, -0.0004471500000000 ] - [ 0.0006529800000000, 0.0022366700000000, 0.0020971500000000 ] - [ -0.0005395500000000, -0.0015190100000000, -0.0017904600000000 ] - [ 0.0004808200000000, -0.0001812000000000, -0.0003272600000000 ] - [ 0.0004322400000000, 0.0000520000000000, -0.0003118300000000 ] - [ 0.0004858400000000, -0.0000550200000000, 0.0002436900000000 ] - [ -0.0005023400000000, 0.0000612000000000, 0.0002556200000000 ] - [ 0.0003787000000000, 0.0006377500000000, 0.0004841000000000 ] - [ -0.0005454800000000, -0.0001901000000000, 0.0001266500000000 ] - [ -0.0001103500000000, -0.0004686000000000, 0.0005618500000000 ] - [ -0.0004273000000000, 0.0004865200000000, -0.0001372200000000 ] - [ -0.0001836000000000, 0.0005264500000000, 0.0005398000000000 ] - [ -0.0002038800000000, -0.0002459500000000, -0.0000498700000000 ] - [ 0.0006343500000000, 0.0004267100000000, 0.0003405500000000 ] - [ -0.0001113900000000, -0.0014027200000000, -0.0000022900000000 ] - [ 0.0007962700000000, -0.0008762000000000, 0.0002414000000000 ] - [ 0.0003985900000000, -0.0002926600000000, 0.0000345300000000 ] - [ 0.0012304200000000, 0.0007952100000000, 0.0003306200000000 ] - [ 0.0002454800000000, 0.0004853400000000, -0.0000072100000000 ] - [ 0.0008049000000000, 0.0005033300000000, 0.0001330000000000 ] - [ 0.0005238400000000, 0.0006977600000000, 0.0001685500000000 ] - [ 0.0021271500000000, 0.0007717900000000, -0.0003626500000000 ] - [ -0.0011743500000000, 0.0001805400000000, -0.0000162900000000 ] - [ -0.0003179800000000, 0.0002617700000000, -0.0000796600000000 ] - [ -0.0007905100000000, 0.0003369900000000, -0.0000161800000000 ] - [ -0.0007840700000000, -0.0002739500000000, 0.0009129800000000 ] - [ -0.0005985000000000, -0.0001872700000000, -0.0008517000000000 ] - [ -0.0006551400000000, -0.0002796500000000, 0.0001731300000000 ] - [ -0.0005452700000000, -0.0002089900000000, -0.0002826000000000 ] - [ 0.0021053000000000, 0.0000191000000000, 0.0023082400000000 ] - [ -0.0008361700000000, 0.0000648500000000, -0.0007900700000000 ] - [ 0.0000576100000000, 0.0002503900000000, -0.0000431900000000 ] - [ 0.0000264000000000, 0.0001772800000000, -0.0001256000000000 ] - [ -0.0033361200000000, 0.0001535600000000, 0.0009114000000000 ] - [ 0.0037854700000000, 0.0008666800000000, 0.0012457600000000 ] - [ -0.0008658800000000, -0.0001290400000000, 0.0002138500000000 ] - [ -0.0008412600000000, -0.0000574100000000, 0.0001878700000000 ] - [ 0.0018943100000000, 0.0007671300000000, -0.0001336100000000 ] - [ -0.0013197700000000, -0.0007607000000000, 0.0003137100000000 ] - [ 0.0005619900000000, 0.0000144900000000, -0.0001536400000000 ] - [ 0.0004217700000000, 0.0000930500000000, -0.0001111600000000 ] - [ 0.0010099300000000, -0.0001519100000000, -0.0020795400000000 ] - [ -0.0016447000000000, 0.0000351000000000, 0.0008647300000000 ] - [ -0.0008178400000000, 0.0001915500000000, 0.0001962200000000 ] - [ -0.0008920800000000, 0.0001868000000000, 0.0002183800000000 ] - [ -0.0286179300000000, 0.0040221400000000, 0.0029627700000000 ] - [ 0.0006090300000000, -0.0001057800000000, -0.0002830400000000 ] - [ -0.0004097000000000, -0.0001386100000000, -0.0002389900000000 ] - [ -0.0003130400000000, -0.0001312700000000, -0.0002748800000000 ] - [ -0.0000725400000000, -0.0008679900000000, 0.0001799500000000 ] - [ 0.0004969000000000, 0.0002233300000000, 0.0001492500000000 ] - [ -0.0000698900000000, 0.0003807700000000, 0.0001907600000000 ] - [ 0.0004962900000000, -0.0002363900000000, 0.0001865500000000 ] - [ -0.0003133000000000, 0.0006393900000000, 0.0001825500000000 ] - [ 0.0002965000000000, -0.0000661700000000, -0.0004748200000000 ] - [ -0.0000664700000000, -0.0000378600000000, -0.0001294300000000 ] - [ 0.0000489700000000, 0.0001036800000000, -0.0003570700000000 ] - [ 0.0004307700000000, -0.0004221100000000, -0.0004050000000000 ] - [ -0.0003774100000000, 0.0006368500000000, 0.0000281100000000 ] - [ 0.0000886400000000, 0.0000210200000000, -0.0003391100000000 ] - [ -0.0000580600000000, -0.0003312100000000, -0.0001095300000000 ] - [ 0.0008881800000000, 0.0009348200000000, -0.0005888900000000 ] - [ 0.0013120400000000, -0.0015799800000000, 0.0023554600000000 ] - [ -0.0000107800000000, 0.0001473500000000, 0.0000195900000000 ] - [ -0.0000993200000000, 0.0003072100000000, 0.0000637300000000 ] - [ -0.0012281600000000, -0.0014032600000000, 0.0015481200000000 ] - [ 0.0002916100000000, -0.0001233900000000, -0.0002370600000000 ] - [ -0.0001438500000000, -0.0003310000000000, 0.0000340500000000 ] - [ 0.0000036900000000, -0.0002770000000000, 0.0000237700000000 ] - [ -0.0011163600000000, 0.0006732500000000, -0.0010233400000000 ] - [ 0.0003343700000000, -0.0004201800000000, 0.0000278100000000 ] - [ -0.0001098200000000, -0.0004221200000000, -0.0001175000000000 ] - [ 0.0000567900000000, -0.0003172900000000, -0.0001177400000000 ] - [ 0.0004428000000000, 0.0019099000000000, -0.0011630300000000 ] - [ 0.0005464400000000, -0.0001331300000000, 0.0003986400000000 ] - [ 0.0000301400000000, 0.0001306200000000, -0.0001849500000000 ] - [ -0.0000377600000000, 0.0004249600000000, -0.0000558900000000 ] - [ 0.0044800500000000, -0.0012667500000000, -0.0022114600000000 ] - [ 0.0042315100000000, 0.0006988500000000, 0.0026878900000000 ] - [ 0.0000444900000000, -0.0002990500000000, 0.0003218900000000 ] - [ 0.0000001800000000, -0.0003389900000000, 0.0003748300000000 ] - [ -0.0020291500000000, 0.0003182900000000, 0.0005021500000000 ] - [ 0.0004748500000000, 0.0003048500000000, 0.0002532900000000 ] - [ -0.0000160500000000, 0.0002494600000000, 0.0003732800000000 ] - [ 0.0000637500000000, 0.0002537200000000, 0.0003340500000000 ] - [ 0.0003028400000000, -0.0000008100000000, -0.0001108500000000 ] - [ 0.0001998500000000, 0.0000905600000000, 0.0003871300000000 ] - [ 0.0002931700000000, 0.0001151600000000, 0.0000512500000000 ] - [ 0.0001811500000000, 0.0000696600000000, 0.0003048000000000 ] - [ 0.0000656800000000, 0.0001582700000000, -0.0013413500000000 ] - [ -0.0001559800000000, 0.0000600100000000, 0.0006561900000000 ] - [ -0.0003422800000000, 0.0000650900000000, -0.0002904700000000 ] - [ -0.0003868400000000, 0.0000718700000000, -0.0002193800000000 ] - [ 0.0089286500000000, -0.0053549900000000, -0.0060824300000000 ] - [ 0.0052782300000000, 0.0019761800000000, 0.0017919700000000 ] - [ 0.0001875900000000, 0.0002845400000000, 0.0000382300000000 ] - [ 0.0002121000000000, 0.0001843700000000, -0.0000286800000000 ] - [ -0.0008185600000000, -0.0037284300000000, -0.0006345700000000 ] - [ 0.0009576900000000, 0.0001466100000000, 0.0001053700000000 ] - [ -0.0003481800000000, 0.0001157100000000, 0.0000894800000000 ] - [ 0.0003112100000000, -0.0001528800000000, 0.0001063000000000 ] - [ -0.0006435400000000, -0.0013304600000000, -0.0015779800000000 ] - [ 0.0002983300000000, 0.0007454600000000, 0.0012959400000000 ] - [ -0.0001985800000000, 0.0002813400000000, -0.0001660100000000 ] - [ 0.0001085300000000, -0.0003327800000000, 0.0003092700000000 ] - [ -0.0045180900000000, -0.0009474000000000, -0.0029958200000000 ] - [ 0.0009474800000000, -0.0000452000000000, 0.0007848200000000 ] - [ 0.0001699700000000, -0.0003863700000000, -0.0000799600000000 ] - [ 0.0002143700000000, -0.0004081900000000, 0.0000710600000000 ]- atom: 57 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0002860900000000, -0.0002297200000000, -0.0011559700000000 ] - [ 0.0001728500000000, 0.0000057000000000, 0.0006001800000000 ] - [ 0.0005380600000000, -0.0000589000000000, -0.0001813700000000 ] - [ 0.0004434900000000, -0.0000429800000000, -0.0000788300000000 ] - [ -0.0031455700000000, -0.0003819000000000, 0.0005259400000000 ] - [ 0.0017964100000000, -0.0004396100000000, 0.0006235600000000 ] - [ 0.0000030300000000, -0.0002014800000000, -0.0000834900000000 ] - [ 0.0000814600000000, -0.0002189500000000, -0.0000842000000000 ] - [ -0.0016699900000000, -0.0001606200000000, -0.0011753200000000 ] - [ 0.0010649600000000, 0.0001156200000000, 0.0000595600000000 ] - [ 0.0004030100000000, 0.0001176100000000, -0.0003770100000000 ] - [ 0.0005358000000000, -0.0000252000000000, -0.0002249800000000 ] - [ 0.0002533700000000, -0.0024804600000000, -0.0027806300000000 ] - [ 0.0014519700000000, 0.0012855700000000, 0.0011150500000000 ] - [ 0.0004206600000000, -0.0000695100000000, -0.0003608900000000 ] - [ 0.0004787400000000, -0.0002722400000000, -0.0003491200000000 ] - [ -0.0007742500000000, 0.0000361800000000, 0.0002047500000000 ] - [ 0.0002195500000000, -0.0000716000000000, 0.0001972400000000 ] - [ -0.0006605600000000, -0.0006548700000000, -0.0000361900000000 ] - [ 0.0002682000000000, 0.0001894800000000, 0.0003281700000000 ] - [ -0.0001809400000000, 0.0004910400000000, -0.0001150300000000 ] - [ 0.0001481800000000, -0.0004831300000000, 0.0005926600000000 ] - [ -0.0001023800000000, -0.0005158600000000, -0.0000884100000000 ] - [ -0.0000850100000000, 0.0002634900000000, 0.0005001100000000 ] - [ 0.0006608700000000, -0.0016501600000000, -0.0000300000000000 ] - [ 0.0013880200000000, 0.0001816500000000, 0.0003138600000000 ] - [ 0.0004994400000000, -0.0003548500000000, 0.0000704000000000 ] - [ 0.0008805400000000, -0.0009372100000000, 0.0002763600000000 ] - [ 0.0000538400000000, 0.0004324900000000, -0.0000195900000000 ] - [ 0.0010483100000000, 0.0007453800000000, 0.0003184000000000 ] - [ 0.0004884000000000, 0.0007254800000000, 0.0001805400000000 ] - [ 0.0007479000000000, 0.0005294400000000, 0.0001401800000000 ] - [ -0.0032860800000000, -0.0002745700000000, 0.0002419800000000 ] - [ 0.0000040100000000, 0.0003495000000000, -0.0001151900000000 ] - [ -0.0008598000000000, 0.0002705400000000, -0.0000327300000000 ] - [ -0.0003808000000000, 0.0001884400000000, -0.0001149300000000 ] - [ -0.0003894200000000, -0.0002573200000000, -0.0010364100000000 ] - [ -0.0005794600000000, -0.0003441400000000, 0.0007336100000000 ] - [ -0.0005211600000000, -0.0002544200000000, -0.0002864000000000 ] - [ -0.0006270300000000, -0.0003187600000000, 0.0001489300000000 ] - [ -0.0020148200000000, 0.0002939600000000, -0.0025390400000000 ] - [ 0.0009088700000000, 0.0002444600000000, 0.0006039800000000 ] - [ 0.0000002700000000, 0.0000402200000000, -0.0001561000000000 ] - [ 0.0000356200000000, 0.0001228500000000, -0.0000716300000000 ] - [ 0.0016341200000000, -0.0004459300000000, -0.0005063500000000 ] - [ -0.0052433500000000, -0.0010128000000000, -0.0006674200000000 ] - [ -0.0008235700000000, -0.0001559600000000, 0.0001988500000000 ] - [ -0.0008731400000000, -0.0002323900000000, 0.0002241600000000 ] - [ -0.0010609600000000, -0.0006428400000000, -0.0000945500000000 ] - [ 0.0022943600000000, 0.0007648900000000, -0.0005554100000000 ] - [ 0.0004133200000000, -0.0000069200000000, -0.0000711100000000 ] - [ 0.0005639400000000, -0.0000777400000000, -0.0001395500000000 ] - [ -0.0027392300000000, 0.0004419400000000, 0.0024798600000000 ] - [ -0.0000739300000000, 0.0002530700000000, -0.0004480500000000 ] - [ -0.0008787000000000, 0.0000935400000000, 0.0002156100000000 ] - [ -0.0008184800000000, 0.0001003100000000, 0.0001922900000000 ] - [ 0.0279878800000000, -0.0045152700000000, -0.0038264600000000 ] - [ -0.0013341800000000, -0.0000937300000000, -0.0002273100000000 ] - [ -0.0003147700000000, -0.0000592300000000, -0.0002724400000000 ] - [ -0.0004116600000000, -0.0000673200000000, -0.0002363000000000 ] - [ 0.0005350200000000, 0.0006795300000000, 0.0001848900000000 ] - [ -0.0000352300000000, -0.0004112600000000, 0.0002171900000000 ] - [ 0.0005368000000000, -0.0005691900000000, 0.0001737400000000 ] - [ -0.0000360900000000, 0.0000459100000000, 0.0001791600000000 ] - [ 0.0003091800000000, -0.0004676100000000, -0.0006906700000000 ] - [ -0.0003086400000000, 0.0002348500000000, -0.0000345900000000 ] - [ 0.0000560400000000, 0.0002089300000000, -0.0003797000000000 ] - [ -0.0000599600000000, 0.0000681500000000, -0.0001516600000000 ] - [ -0.0004426200000000, 0.0002514000000000, -0.0001032400000000 ] - [ 0.0003658000000000, -0.0008082100000000, -0.0005360500000000 ] - [ -0.0000990700000000, -0.0001929700000000, -0.0001687100000000 ] - [ 0.0000452200000000, 0.0001616800000000, -0.0004008500000000 ] - [ -0.0010196900000000, -0.0004151900000000, 0.0006749700000000 ] - [ -0.0014377700000000, 0.0020880100000000, -0.0022620000000000 ] - [ -0.0001160700000000, 0.0003775900000000, 0.0000593600000000 ] - [ -0.0000274400000000, 0.0002173100000000, 0.0000151500000000 ] - [ 0.0011162200000000, 0.0008699800000000, -0.0014658200000000 ] - [ -0.0004178400000000, -0.0004000200000000, 0.0003143900000000 ] - [ 0.0000184900000000, -0.0001922400000000, 0.0000451200000000 ] - [ -0.0001306600000000, -0.0002470400000000, 0.0000548400000000 ] - [ 0.0010948400000000, -0.0013278000000000, 0.0007900700000000 ] - [ -0.0003631600000000, -0.0002363200000000, -0.0002488500000000 ] - [ 0.0000808500000000, -0.0002325100000000, -0.0001059600000000 ] - [ -0.0000860000000000, -0.0003378200000000, -0.0001054800000000 ] - [ -0.0004758900000000, -0.0012476800000000, 0.0009324600000000 ] - [ -0.0005774600000000, 0.0007917100000000, -0.0006242700000000 ] - [ -0.0000610000000000, 0.0005258600000000, -0.0000387500000000 ] - [ 0.0000085600000000, 0.0002297700000000, -0.0001680000000000 ] - [ -0.0043882900000000, 0.0006863400000000, 0.0028753800000000 ] - [ -0.0042263200000000, -0.0012759800000000, -0.0020185300000000 ] - [ 0.0000009600000000, -0.0002642100000000, 0.0003777400000000 ] - [ 0.0000462200000000, -0.0002244600000000, 0.0003248900000000 ] - [ 0.0020753800000000, 0.0002387300000000, 0.0001831300000000 ] - [ -0.0004282900000000, 0.0002584000000000, 0.0004499700000000 ] - [ 0.0000623200000000, 0.0003149500000000, 0.0003261200000000 ] - [ -0.0000179100000000, 0.0003099800000000, 0.0003662200000000 ] - [ 0.0001571500000000, 0.0001917100000000, 0.0004794200000000 ] - [ 0.0002615500000000, 0.0000969900000000, -0.0000231300000000 ] - [ 0.0001674800000000, 0.0000739700000000, 0.0003143300000000 ] - [ 0.0002807200000000, 0.0001198300000000, 0.0000602800000000 ] - [ -0.0007941700000000, 0.0000390900000000, 0.0008316200000000 ] - [ -0.0005665800000000, 0.0001385000000000, -0.0011681000000000 ] - [ -0.0003828700000000, 0.0001336900000000, -0.0002206700000000 ] - [ -0.0003377200000000, 0.0001266900000000, -0.0002918100000000 ] - [ -0.0086449200000000, 0.0060481100000000, 0.0061447700000000 ] - [ -0.0048824900000000, -0.0013404400000000, -0.0017782500000000 ] - [ 0.0002035600000000, 0.0003351900000000, -0.0000541900000000 ] - [ 0.0001736500000000, 0.0004325100000000, 0.0000061100000000 ] - [ 0.0007055800000000, 0.0037893200000000, 0.0008181900000000 ] - [ -0.0010271700000000, -0.0001224000000000, 0.0000785200000000 ] - [ 0.0002718900000000, -0.0000801700000000, 0.0000892800000000 ] - [ -0.0003825500000000, 0.0001903100000000, 0.0000696500000000 ] - [ 0.0005757500000000, 0.0013010200000000, 0.0017559200000000 ] - [ -0.0003649200000000, -0.0007748500000000, -0.0011165300000000 ] - [ 0.0001269500000000, -0.0003082600000000, 0.0003461400000000 ] - [ -0.0001826200000000, 0.0003046500000000, -0.0001274000000000 ] - [ 0.0048899000000000, 0.0003336100000000, 0.0030408200000000 ] - [ -0.0005613600000000, -0.0005785100000000, -0.0008093300000000 ] - [ 0.0002195800000000, -0.0002260600000000, 0.0000553200000000 ] - [ 0.0001707900000000, -0.0002073800000000, -0.0000903900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006589800000000, 0.0012699200000000, -0.0007840600000000 ] - [ 0.0005529700000000, 0.0009437000000000, 0.0004049400000000 ] - [ 0.0004977700000000, -0.0004831600000000, -0.0001041800000000 ] - [ 0.0004960900000000, -0.0004503000000000, -0.0001849400000000 ] - [ 0.0000297800000000, 0.0037518400000000, -0.0011098900000000 ] - [ -0.0008094100000000, 0.0013399600000000, -0.0005401300000000 ] - [ 0.0001462900000000, -0.0008013900000000, 0.0000118200000000 ] - [ 0.0001612200000000, -0.0007533800000000, 0.0000159000000000 ] - [ 0.0003608200000000, 0.0034309700000000, -0.0028812800000000 ] - [ 0.0002664500000000, 0.0008671000000000, -0.0006121200000000 ] - [ 0.0005789200000000, -0.0011054300000000, 0.0002906000000000 ] - [ 0.0005891400000000, -0.0005391500000000, -0.0000203000000000 ] - [ 0.0009651100000000, -0.0001117000000000, -0.0013601300000000 ] - [ 0.0000072200000000, -0.0002040300000000, -0.0005997800000000 ] - [ 0.0002579800000000, -0.0008332300000000, -0.0005720600000000 ] - [ 0.0004707300000000, -0.0007106900000000, -0.0005478400000000 ] - [ -0.0005917000000000, -0.0018454400000000, 0.0005176600000000 ] - [ -0.0001034000000000, -0.0002902600000000, 0.0001949400000000 ] - [ -0.0003477500000000, -0.0018015100000000, -0.0010397100000000 ] - [ -0.0001924000000000, -0.0000220600000000, 0.0002310300000000 ] - [ -0.0004222700000000, -0.0002231200000000, 0.0003729700000000 ] - [ 0.0002206600000000, -0.0001833300000000, 0.0004857300000000 ] - [ 0.0000049800000000, -0.0004667800000000, 0.0001982200000000 ] - [ -0.0002350800000000, -0.0004051100000000, 0.0002327800000000 ] - [ 0.0026509700000000, -0.0013689100000000, -0.0006587500000000 ] - [ -0.0004235600000000, -0.0005895800000000, 0.0000286900000000 ] - [ 0.0003329800000000, -0.0011859200000000, 0.0001489600000000 ] - [ 0.0009713000000000, -0.0010637900000000, 0.0002267000000000 ] - [ 0.0007076000000000, 0.0002160900000000, -0.0002214200000000 ] - [ 0.0005785200000000, 0.0004624300000000, 0.0003038200000000 ] - [ 0.0004595900000000, 0.0001935900000000, 0.0004890200000000 ] - [ 0.0005962600000000, 0.0004232900000000, -0.0000211600000000 ] - [ 0.0001999400000000, 0.0010009300000000, -0.0003345900000000 ] - [ -0.0007124200000000, 0.0006760600000000, 0.0000720200000000 ] - [ -0.0006642400000000, -0.0004989700000000, -0.0002735700000000 ] - [ -0.0005267700000000, -0.0001010800000000, -0.0001119500000000 ] - [ -0.0006351100000000, -0.0002809300000000, -0.0001381200000000 ] - [ -0.0002841200000000, -0.0003973400000000, 0.0002976900000000 ] - [ -0.0005420500000000, -0.0006411400000000, -0.0000985200000000 ] - [ -0.0006835100000000, -0.0006189900000000, -0.0001259500000000 ] - [ 0.0002302400000000, 0.0039109100000000, 0.0008360600000000 ] - [ 0.0002119900000000, 0.0010868100000000, 0.0001109700000000 ] - [ -0.0001090700000000, -0.0006716400000000, -0.0002257200000000 ] - [ -0.0000653600000000, -0.0003815400000000, -0.0001790600000000 ] - [ 0.0002434500000000, 0.0007647300000000, -0.0005599900000000 ] - [ 0.0000019700000000, 0.0033960100000000, 0.0009549800000000 ] - [ -0.0009881800000000, -0.0005440100000000, 0.0002177700000000 ] - [ -0.0008272500000000, -0.0007222400000000, 0.0002133400000000 ] - [ 0.0013768200000000, 0.0029459500000000, -0.0008674900000000 ] - [ -0.0004769200000000, 0.0003114600000000, 0.0002003700000000 ] - [ 0.0003426300000000, -0.0006275100000000, -0.0000432700000000 ] - [ 0.0005931400000000, -0.0004668900000000, -0.0000410900000000 ] - [ -0.0013107400000000, 0.0024182500000000, -0.0006462200000000 ] - [ -0.0008175700000000, 0.0008691000000000, 0.0001461700000000 ] - [ -0.0007592200000000, -0.0003836800000000, 0.0002349200000000 ] - [ -0.0008059900000000, -0.0002795300000000, 0.0002210800000000 ] - [ 0.0038681300000000, -0.0207185800000000, -0.0040256000000000 ] - [ -0.0003679600000000, -0.0006037300000000, -0.0004045300000000 ] - [ -0.0004021000000000, 0.0003505500000000, -0.0002214700000000 ] - [ -0.0003943800000000, 0.0001974600000000, -0.0002200900000000 ] - [ -0.0002472700000000, 0.0010455000000000, 0.0003647900000000 ] - [ 0.0003724100000000, 0.0000697500000000, 0.0001781600000000 ] - [ 0.0010032400000000, 0.0010387900000000, -0.0000367800000000 ] - [ -0.0000855500000000, 0.0000705200000000, 0.0000750800000000 ] - [ 0.0006915300000000, 0.0005138400000000, 0.0005882200000000 ] - [ -0.0003276000000000, -0.0000612000000000, -0.0001709500000000 ] - [ -0.0001139100000000, 0.0005031100000000, -0.0003712700000000 ] - [ 0.0000869300000000, 0.0003447000000000, -0.0002407800000000 ] - [ -0.0001980700000000, 0.0000810200000000, -0.0002176900000000 ] - [ 0.0005482200000000, 0.0008918200000000, 0.0003200100000000 ] - [ 0.0000877300000000, 0.0000384800000000, -0.0002396800000000 ] - [ -0.0003336400000000, 0.0006221700000000, -0.0006344000000000 ] - [ 0.0003066200000000, -0.0002916800000000, -0.0000709100000000 ] - [ -0.0019794200000000, -0.0004114300000000, -0.0015534500000000 ] - [ -0.0000796500000000, 0.0006373800000000, 0.0000321600000000 ] - [ -0.0000080400000000, 0.0006836700000000, 0.0000787100000000 ] - [ -0.0013364000000000, 0.0013778600000000, -0.0034683200000000 ] - [ 0.0000472600000000, -0.0005180300000000, 0.0000283500000000 ] - [ 0.0000445300000000, 0.0002941400000000, 0.0001776200000000 ] - [ -0.0001520500000000, 0.0000515800000000, 0.0000219900000000 ] - [ 0.0007877900000000, -0.0001046400000000, -0.0026858700000000 ] - [ -0.0000632200000000, -0.0007063100000000, 0.0000112600000000 ] - [ -0.0000279100000000, 0.0000964800000000, -0.0000474500000000 ] - [ -0.0000075500000000, 0.0000031800000000, -0.0001328400000000 ] - [ 0.0014417000000000, 0.0011588300000000, -0.0011870700000000 ] - [ -0.0005006800000000, 0.0003417000000000, -0.0003535200000000 ] - [ -0.0001803400000000, 0.0009465500000000, -0.0000070000000000 ] - [ 0.0000909400000000, 0.0006196500000000, -0.0000837500000000 ] - [ -0.0010994100000000, -0.0020957800000000, 0.0006579100000000 ] - [ 0.0009908400000000, -0.0019135400000000, 0.0005900400000000 ] - [ 0.0000758200000000, 0.0001184700000000, 0.0003683300000000 ] - [ 0.0000405400000000, 0.0000707400000000, 0.0003768600000000 ] - [ 0.0000304200000000, -0.0005305700000000, 0.0029613000000000 ] - [ 0.0000274300000000, -0.0001251900000000, 0.0004365500000000 ] - [ 0.0000070200000000, 0.0006684400000000, 0.0002907500000000 ] - [ -0.0000061400000000, 0.0005817400000000, 0.0003385500000000 ] - [ 0.0001336100000000, 0.0002249100000000, 0.0006851200000000 ] - [ 0.0002276700000000, 0.0000559600000000, 0.0000304300000000 ] - [ 0.0002517500000000, 0.0003675800000000, 0.0000452300000000 ] - [ 0.0002057400000000, 0.0003327000000000, 0.0002586900000000 ] - [ -0.0004219900000000, -0.0004583200000000, -0.0001110000000000 ] - [ -0.0003231000000000, -0.0004781600000000, -0.0000724200000000 ] - [ -0.0003275200000000, 0.0004391700000000, -0.0002806100000000 ] - [ -0.0003345300000000, 0.0004129900000000, -0.0002951100000000 ] - [ -0.0047650900000000, -0.0018244600000000, 0.0048835900000000 ] - [ 0.0030477300000000, -0.0000927400000000, 0.0005820700000000 ] - [ 0.0003291600000000, 0.0012297400000000, -0.0000623400000000 ] - [ 0.0000740500000000, 0.0011179100000000, -0.0000218900000000 ] - [ -0.0042618500000000, 0.0080795000000000, 0.0048848800000000 ] - [ 0.0006960200000000, -0.0005975400000000, 0.0001355900000000 ] - [ 0.0004907400000000, 0.0017413200000000, 0.0002150200000000 ] - [ -0.0003087300000000, 0.0006349100000000, 0.0000069300000000 ] - [ -0.0002154400000000, 0.0007422400000000, 0.0005915100000000 ] - [ 0.0000416200000000, 0.0002817400000000, -0.0000427600000000 ] - [ 0.0002101300000000, 0.0006224200000000, 0.0001132200000000 ] - [ -0.0000829700000000, 0.0004806100000000, 0.0001964500000000 ] - [ -0.0002201900000000, -0.0066301500000000, 0.0044904200000000 ] - [ 0.0001861100000000, -0.0014813800000000, -0.0001989100000000 ] - [ 0.0001283900000000, 0.0007870900000000, -0.0002558700000000 ] - [ 0.0001724900000000, 0.0004491500000000, -0.0000572800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003261800000000, -0.0012871400000000, 0.0005566300000000 ] - [ 0.0004338700000000, -0.0009617700000000, -0.0006433100000000 ] - [ 0.0004870600000000, 0.0004737300000000, -0.0001246400000000 ] - [ 0.0004891200000000, 0.0004411400000000, -0.0000460800000000 ] - [ 0.0000296100000000, -0.0040435500000000, 0.0008975300000000 ] - [ 0.0008571200000000, -0.0016112400000000, 0.0003264200000000 ] - [ -0.0000879000000000, 0.0005102600000000, -0.0002170400000000 ] - [ -0.0000907300000000, 0.0004420000000000, -0.0002111000000000 ] - [ 0.0005789100000000, -0.0033037200000000, 0.0021566500000000 ] - [ 0.0006427700000000, -0.0006455300000000, -0.0000538200000000 ] - [ 0.0003283800000000, 0.0013332900000000, -0.0009600300000000 ] - [ 0.0003163200000000, 0.0007820200000000, -0.0006594700000000 ] - [ -0.0000519000000000, -0.0001066800000000, 0.0006936900000000 ] - [ 0.0008973300000000, -0.0000444600000000, -0.0000901500000000 ] - [ 0.0006496500000000, 0.0006017500000000, -0.0001018100000000 ] - [ 0.0004425400000000, 0.0005009200000000, -0.0001052100000000 ] - [ 0.0003117400000000, 0.0018337600000000, -0.0000508500000000 ] - [ -0.0001849900000000, 0.0002753500000000, 0.0002581600000000 ] - [ 0.0000651200000000, 0.0018060200000000, 0.0015061300000000 ] - [ -0.0000851300000000, 0.0000188800000000, 0.0002311400000000 ] - [ 0.0001448800000000, 0.0002251300000000, 0.0000859200000000 ] - [ -0.0004927200000000, 0.0001716600000000, -0.0000189500000000 ] - [ -0.0002839400000000, 0.0004688900000000, 0.0002641000000000 ] - [ -0.0000535300000000, 0.0004236300000000, 0.0002243000000000 ] - [ -0.0013846600000000, 0.0001505000000000, 0.0009766700000000 ] - [ 0.0017095200000000, -0.0006351400000000, 0.0002844300000000 ] - [ 0.0009404900000000, -0.0000368700000000, 0.0001629900000000 ] - [ 0.0003231500000000, -0.0001572600000000, 0.0000841500000000 ] - [ 0.0005678800000000, 0.0010087200000000, 0.0005313400000000 ] - [ 0.0007165600000000, 0.0007651900000000, 0.0000115600000000 ] - [ 0.0008211800000000, 0.0010298700000000, -0.0001793400000000 ] - [ 0.0006673300000000, 0.0007985200000000, 0.0003342200000000 ] - [ -0.0013188300000000, -0.0007481300000000, 0.0002436100000000 ] - [ -0.0004597200000000, -0.0001563200000000, -0.0002154100000000 ] - [ -0.0005094600000000, 0.0010216800000000, 0.0001296900000000 ] - [ -0.0006537300000000, 0.0006345100000000, -0.0000095100000000 ] - [ -0.0005389800000000, -0.0002403400000000, -0.0000045400000000 ] - [ -0.0008919300000000, -0.0001295500000000, -0.0004244600000000 ] - [ -0.0006337900000000, 0.0001147700000000, -0.0000360900000000 ] - [ -0.0004852900000000, 0.0000987900000000, -0.0000230700000000 ] - [ -0.0001627600000000, -0.0036176300000000, -0.0010671800000000 ] - [ -0.0001501900000000, -0.0007886600000000, -0.0003128600000000 ] - [ 0.0001690700000000, 0.0009672600000000, 0.0000241700000000 ] - [ 0.0001215700000000, 0.0006729400000000, -0.0000260100000000 ] - [ -0.0019479600000000, -0.0010442700000000, 0.0009718300000000 ] - [ -0.0015938700000000, -0.0036425400000000, -0.0004942500000000 ] - [ -0.0007118200000000, 0.0002647600000000, 0.0001929500000000 ] - [ -0.0008969900000000, 0.0004400200000000, 0.0001974800000000 ] - [ -0.0005230700000000, -0.0028312900000000, 0.0006488700000000 ] - [ 0.0014538000000000, -0.0003062900000000, -0.0004077200000000 ] - [ 0.0006402100000000, 0.0006385000000000, -0.0001824000000000 ] - [ 0.0003964800000000, 0.0004842000000000, -0.0002074400000000 ] - [ -0.0003934700000000, -0.0021482800000000, 0.0010464500000000 ] - [ -0.0008939300000000, -0.0005913500000000, 0.0002647300000000 ] - [ -0.0009438900000000, 0.0006650400000000, 0.0001773900000000 ] - [ -0.0008951100000000, 0.0005617700000000, 0.0001908000000000 ] - [ -0.0046784200000000, 0.0208380900000000, 0.0035244400000000 ] - [ -0.0003553000000000, 0.0004059600000000, -0.0001061300000000 ] - [ -0.0003215400000000, -0.0005503500000000, -0.0002898700000000 ] - [ -0.0003293300000000, -0.0003976800000000, -0.0002919800000000 ] - [ 0.0006998800000000, -0.0012305900000000, 0.0000031200000000 ] - [ 0.0000883800000000, -0.0002621700000000, 0.0001882800000000 ] - [ -0.0005475100000000, -0.0012383100000000, 0.0004044900000000 ] - [ 0.0005476900000000, -0.0002603300000000, 0.0002912300000000 ] - [ -0.0007050900000000, -0.0003447500000000, -0.0011044000000000 ] - [ 0.0003194200000000, 0.0002334200000000, -0.0003385000000000 ] - [ 0.0001026700000000, -0.0003325200000000, -0.0001376900000000 ] - [ -0.0000958100000000, -0.0001747800000000, -0.0002687200000000 ] - [ 0.0001895300000000, -0.0002539400000000, -0.0002913600000000 ] - [ -0.0005506500000000, -0.0010585200000000, -0.0008227100000000 ] - [ -0.0000978900000000, -0.0002081700000000, -0.0002686800000000 ] - [ 0.0003255100000000, -0.0007958300000000, 0.0001282800000000 ] - [ -0.0004349500000000, 0.0008206000000000, 0.0001499800000000 ] - [ 0.0018574500000000, 0.0009482200000000, 0.0016371100000000 ] - [ -0.0000481300000000, -0.0001141000000000, 0.0000469300000000 ] - [ -0.0001189600000000, -0.0001603600000000, 0.0000008800000000 ] - [ 0.0011970000000000, -0.0019024000000000, 0.0035215900000000 ] - [ -0.0001742900000000, -0.0000072200000000, 0.0000500500000000 ] - [ -0.0001724200000000, -0.0008191100000000, -0.0001001300000000 ] - [ 0.0000252600000000, -0.0005758800000000, 0.0000570700000000 ] - [ -0.0008211300000000, -0.0005440400000000, 0.0024797300000000 ] - [ 0.0000352900000000, 0.0000526600000000, -0.0002346100000000 ] - [ -0.0000012700000000, -0.0007530400000000, -0.0001750800000000 ] - [ -0.0000210700000000, -0.0006597400000000, -0.0000912400000000 ] - [ -0.0014588900000000, -0.0005041300000000, 0.0009561300000000 ] - [ 0.0004720900000000, 0.0003113200000000, 0.0001305900000000 ] - [ 0.0001524800000000, -0.0002919500000000, -0.0002171600000000 ] - [ -0.0001206700000000, 0.0000358900000000, -0.0001403300000000 ] - [ 0.0011321400000000, 0.0015443100000000, 0.0000479800000000 ] - [ -0.0009333500000000, 0.0013617500000000, 0.0001156600000000 ] - [ -0.0000301700000000, -0.0006820700000000, 0.0003312500000000 ] - [ 0.0000036900000000, -0.0006346500000000, 0.0003230300000000 ] - [ 0.0000135200000000, 0.0010765600000000, -0.0022650700000000 ] - [ 0.0000175900000000, 0.0006873900000000, 0.0002628500000000 ] - [ 0.0000379800000000, -0.0001054600000000, 0.0004097700000000 ] - [ 0.0000507000000000, -0.0000186200000000, 0.0003621000000000 ] - [ 0.0003271400000000, -0.0000335600000000, -0.0003211800000000 ] - [ 0.0002326200000000, 0.0001351700000000, 0.0003352800000000 ] - [ 0.0002097400000000, -0.0001783900000000, 0.0003183100000000 ] - [ 0.0002547200000000, -0.0001434300000000, 0.0001076500000000 ] - [ -0.0003014400000000, 0.0006575400000000, -0.0004017000000000 ] - [ -0.0004006200000000, 0.0006776900000000, -0.0004403300000000 ] - [ -0.0003958400000000, -0.0002401100000000, -0.0002309700000000 ] - [ -0.0003894400000000, -0.0002138900000000, -0.0002160500000000 ] - [ 0.0051526500000000, 0.0023975800000000, -0.0049210200000000 ] - [ -0.0026778800000000, 0.0006964800000000, -0.0005997100000000 ] - [ 0.0000614300000000, -0.0006194800000000, 0.0000421200000000 ] - [ 0.0003150500000000, -0.0005053200000000, -0.0000016000000000 ] - [ 0.0042467200000000, -0.0081635000000000, -0.0047556900000000 ] - [ -0.0007776500000000, 0.0006372700000000, 0.0000414400000000 ] - [ -0.0005600300000000, -0.0016991200000000, -0.0000326900000000 ] - [ 0.0002256300000000, -0.0006057700000000, 0.0001732600000000 ] - [ 0.0001369800000000, -0.0007692800000000, -0.0004047600000000 ] - [ -0.0001162900000000, -0.0003148800000000, 0.0002216400000000 ] - [ -0.0002850600000000, -0.0006515300000000, 0.0000670200000000 ] - [ 0.0000065500000000, -0.0005101800000000, -0.0000178500000000 ] - [ 0.0005982700000000, 0.0060621700000000, -0.0044878900000000 ] - [ 0.0002013000000000, 0.0008686400000000, 0.0001778100000000 ] - [ 0.0002596900000000, -0.0014023500000000, 0.0002329400000000 ] - [ 0.0002167900000000, -0.0010646500000000, 0.0000338100000000 ]- atom: 57 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0011331800000000, -0.0008510300000000, -0.0026966100000000 ] - [ -0.0000110200000000, 0.0001939000000000, -0.0011240300000000 ] - [ 0.0005532100000000, -0.0000735000000000, -0.0002315400000000 ] - [ 0.0004378600000000, -0.0000882700000000, -0.0001155700000000 ] - [ -0.0025227800000000, -0.0009166200000000, 0.0039162200000000 ] - [ -0.0000407000000000, -0.0000355800000000, -0.0000987800000000 ] - [ 0.0000314300000000, -0.0002345800000000, -0.0000460900000000 ] - [ 0.0000661800000000, -0.0002413300000000, -0.0000835900000000 ] - [ -0.0002609500000000, -0.0016805400000000, 0.0012394900000000 ] - [ 0.0006213200000000, 0.0003750800000000, -0.0005471200000000 ] - [ 0.0004488100000000, 0.0001860700000000, -0.0003577900000000 ] - [ 0.0005036800000000, -0.0000359900000000, -0.0002561700000000 ] - [ 0.0008948400000000, -0.0025972200000000, -0.0021682500000000 ] - [ 0.0004299100000000, 0.0001375400000000, -0.0001925800000000 ] - [ 0.0004833000000000, 0.0000171500000000, -0.0002764900000000 ] - [ 0.0004130200000000, -0.0002451100000000, -0.0003890000000000 ] - [ -0.0003477400000000, 0.0006678100000000, 0.0005784800000000 ] - [ 0.0000254300000000, -0.0001343800000000, 0.0001861900000000 ] - [ -0.0004590900000000, -0.0010161000000000, 0.0008242900000000 ] - [ 0.0000696900000000, 0.0001375300000000, 0.0002356600000000 ] - [ 0.0002453700000000, 0.0006365100000000, -0.0001794700000000 ] - [ -0.0003157800000000, -0.0000451300000000, 0.0002389900000000 ] - [ 0.0000742300000000, -0.0006084100000000, -0.0000451100000000 ] - [ -0.0002649700000000, 0.0001093400000000, 0.0002067600000000 ] - [ 0.0009705000000000, -0.0016661300000000, 0.0008392800000000 ] - [ 0.0007458600000000, -0.0002558100000000, 0.0004759200000000 ] - [ 0.0006739400000000, -0.0003674200000000, 0.0002080000000000 ] - [ 0.0007448500000000, -0.0008420600000000, 0.0002812900000000 ] - [ 0.0005214100000000, -0.0000447300000000, -0.0002438200000000 ] - [ 0.0007092800000000, 0.0007975600000000, -0.0000543500000000 ] - [ 0.0005935600000000, 0.0009763300000000, 0.0000933200000000 ] - [ 0.0005471600000000, 0.0004295300000000, -0.0000038600000000 ] - [ -0.0023736200000000, -0.0002238300000000, 0.0031317100000000 ] - [ -0.0002049400000000, 0.0004339300000000, -0.0001287100000000 ] - [ -0.0007526200000000, 0.0002533100000000, 0.0001926500000000 ] - [ -0.0004566900000000, 0.0001633400000000, -0.0000945600000000 ] - [ -0.0000467300000000, -0.0001190400000000, -0.0011272800000000 ] - [ -0.0009977300000000, -0.0000405200000000, -0.0000691200000000 ] - [ -0.0003778300000000, -0.0002463200000000, -0.0004002000000000 ] - [ -0.0007427000000000, -0.0003773100000000, -0.0000703800000000 ] - [ 0.0000643600000000, 0.0007270300000000, -0.0028117700000000 ] - [ 0.0002046800000000, 0.0002003400000000, -0.0000647900000000 ] - [ 0.0000315900000000, 0.0000443800000000, -0.0001592200000000 ] - [ 0.0000058800000000, 0.0000819300000000, -0.0001007300000000 ] - [ 0.0017106800000000, -0.0007541900000000, 0.0000256900000000 ] - [ -0.0022929900000000, 0.0001447000000000, 0.0025809800000000 ] - [ -0.0008212600000000, -0.0001775000000000, 0.0002132200000000 ] - [ -0.0008945000000000, -0.0002221500000000, 0.0002478900000000 ] - [ -0.0001773700000000, -0.0010867000000000, 0.0027191800000000 ] - [ 0.0009781400000000, 0.0003223600000000, 0.0004964400000000 ] - [ 0.0004153700000000, -0.0000365400000000, -0.0000184700000000 ] - [ 0.0005606200000000, -0.0000964700000000, -0.0001218500000000 ] - [ -0.0033601100000000, -0.0002778300000000, -0.0015048400000000 ] - [ 0.0001141500000000, 0.0002593500000000, -0.0007781900000000 ] - [ -0.0009034100000000, 0.0000928300000000, 0.0001965100000000 ] - [ -0.0008100100000000, 0.0000765700000000, 0.0001763400000000 ] - [ 0.0185250500000000, -0.0056019700000000, -0.0253675400000000 ] - [ -0.0009303000000000, -0.0002195500000000, -0.0002867600000000 ] - [ -0.0003209200000000, -0.0000490700000000, -0.0002963100000000 ] - [ -0.0004052800000000, -0.0000519600000000, -0.0002349500000000 ] - [ 0.0004087800000000, 0.0005224100000000, -0.0000837700000000 ] - [ 0.0000833800000000, -0.0001839000000000, 0.0001789100000000 ] - [ 0.0004003300000000, -0.0005108500000000, -0.0000905300000000 ] - [ 0.0000520700000000, -0.0000113400000000, 0.0001574400000000 ] - [ 0.0006745200000000, 0.0005875600000000, -0.0003344900000000 ] - [ -0.0004190500000000, 0.0001816400000000, 0.0000401500000000 ] - [ 0.0001077100000000, 0.0000400100000000, -0.0003238400000000 ] - [ -0.0000883800000000, 0.0001140100000000, -0.0001307500000000 ] - [ -0.0003779900000000, 0.0001895000000000, -0.0001282800000000 ] - [ 0.0004274000000000, 0.0000974700000000, -0.0004704200000000 ] - [ -0.0001235200000000, -0.0001402400000000, -0.0001807200000000 ] - [ 0.0000995100000000, -0.0000808300000000, -0.0004303300000000 ] - [ -0.0012597700000000, -0.0003812100000000, 0.0006909600000000 ] - [ 0.0010074100000000, -0.0000149800000000, -0.0005300000000000 ] - [ -0.0001237600000000, 0.0003887600000000, 0.0000499100000000 ] - [ -0.0000201300000000, 0.0002923300000000, 0.0000050600000000 ] - [ 0.0019059500000000, -0.0024681300000000, 0.0005687500000000 ] - [ -0.0004023700000000, -0.0003269500000000, 0.0003088100000000 ] - [ 0.0000206700000000, -0.0000919500000000, 0.0000452500000000 ] - [ -0.0001247300000000, -0.0002389300000000, 0.0000839600000000 ] - [ -0.0000139200000000, -0.0031081700000000, 0.0022810200000000 ] - [ -0.0000223100000000, -0.0001820300000000, 0.0002819100000000 ] - [ 0.0000547200000000, -0.0001606400000000, -0.0001370200000000 ] - [ -0.0000569300000000, -0.0003169400000000, -0.0000821500000000 ] - [ -0.0011353100000000, -0.0015004900000000, 0.0001923300000000 ] - [ -0.0000954900000000, 0.0005235500000000, -0.0005097100000000 ] - [ -0.0001049000000000, 0.0005560000000000, -0.0000640300000000 ] - [ 0.0000410000000000, 0.0003141200000000, -0.0001518300000000 ] - [ -0.0046736600000000, 0.0004997500000000, 0.0014001400000000 ] - [ -0.0004041200000000, -0.0006646200000000, -0.0014540100000000 ] - [ -0.0000131100000000, -0.0002509200000000, 0.0003710700000000 ] - [ 0.0000595100000000, -0.0002234600000000, 0.0003223800000000 ] - [ 0.0012999600000000, 0.0023796500000000, 0.0044057500000000 ] - [ -0.0001965700000000, 0.0000248900000000, 0.0010949600000000 ] - [ 0.0000593200000000, 0.0002932000000000, 0.0003247800000000 ] - [ -0.0000163500000000, 0.0003353500000000, 0.0003798400000000 ] - [ -0.0000562200000000, 0.0005650600000000, 0.0006446400000000 ] - [ 0.0004178500000000, -0.0000304700000000, 0.0002012000000000 ] - [ 0.0000852900000000, -0.0000295100000000, 0.0003791100000000 ] - [ 0.0003594900000000, 0.0001718300000000, 0.0001741900000000 ] - [ -0.0015045200000000, -0.0000540800000000, 0.0012055000000000 ] - [ 0.0002786300000000, -0.0000305600000000, -0.0002027500000000 ] - [ -0.0004016500000000, 0.0001393800000000, -0.0002124400000000 ] - [ -0.0003176000000000, 0.0001475900000000, -0.0002754300000000 ] - [ -0.0095787600000000, 0.0074003500000000, 0.0022199000000000 ] - [ -0.0000345700000000, -0.0000637600000000, -0.0007779800000000 ] - [ 0.0001706000000000, 0.0003335300000000, -0.0001406500000000 ] - [ 0.0001985800000000, 0.0004569600000000, -0.0000126600000000 ] - [ -0.0005081800000000, 0.0058077800000000, -0.0035234700000000 ] - [ -0.0003136000000000, -0.0002527600000000, 0.0001736800000000 ] - [ -0.0000278800000000, -0.0003623900000000, -0.0002053900000000 ] - [ -0.0001982300000000, 0.0002188200000000, 0.0000823900000000 ] - [ -0.0000950700000000, 0.0013438900000000, 0.0019344400000000 ] - [ 0.0000269800000000, -0.0002792100000000, 0.0001063200000000 ] - [ -0.0001226500000000, -0.0004883600000000, 0.0004200700000000 ] - [ 0.0001238000000000, 0.0001412800000000, 0.0001339400000000 ] - [ 0.0010443700000000, 0.0032599000000000, 0.0122591400000000 ] - [ -0.0004305900000000, -0.0003807500000000, 0.0007066300000000 ] - [ 0.0002209400000000, -0.0002305500000000, 0.0001071600000000 ] - [ 0.0001766000000000, -0.0001711000000000, -0.0000376000000000 ]- atom: 57 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0001549500000000, 0.0008438800000000, 0.0024689800000000 ] - [ 0.0009869200000000, -0.0002101500000000, 0.0008738100000000 ] - [ 0.0004275800000000, 0.0000602500000000, -0.0000103600000000 ] - [ 0.0005453200000000, 0.0000733800000000, -0.0001317600000000 ] - [ 0.0022221100000000, 0.0006320100000000, -0.0037745300000000 ] - [ 0.0001216600000000, -0.0002786900000000, -0.0000947100000000 ] - [ 0.0000319800000000, -0.0000699200000000, -0.0001502200000000 ] - [ -0.0000062400000000, -0.0000552100000000, -0.0001151600000000 ] - [ 0.0012053900000000, 0.0018387100000000, -0.0020334600000000 ] - [ 0.0002833300000000, -0.0001394900000000, -0.0001296200000000 ] - [ 0.0004612500000000, 0.0000415000000000, -0.0003091900000000 ] - [ 0.0004051100000000, 0.0002649700000000, -0.0004125700000000 ] - [ 0.0000161800000000, 0.0023521700000000, 0.0014899900000000 ] - [ 0.0004895200000000, -0.0003493300000000, -0.0004616200000000 ] - [ 0.0004262700000000, -0.0002375900000000, -0.0003850800000000 ] - [ 0.0004925900000000, 0.0000073500000000, -0.0002885100000000 ] - [ 0.0000678300000000, -0.0006735300000000, -0.0001259700000000 ] - [ -0.0003096700000000, 0.0001197500000000, 0.0002659200000000 ] - [ 0.0001757600000000, 0.0010035900000000, -0.0003763600000000 ] - [ -0.0003562200000000, -0.0001556100000000, 0.0002154500000000 ] - [ -0.0005247500000000, -0.0006251000000000, 0.0006353700000000 ] - [ 0.0000324100000000, 0.0000583200000000, 0.0002179600000000 ] - [ -0.0003554300000000, 0.0006124400000000, 0.0005026700000000 ] - [ -0.0000124500000000, -0.0001046300000000, 0.0002539300000000 ] - [ 0.0003177700000000, 0.0004412800000000, -0.0005343900000000 ] - [ 0.0005409200000000, -0.0009725000000000, -0.0001636100000000 ] - [ 0.0005978500000000, -0.0008600300000000, 0.0001016300000000 ] - [ 0.0005398300000000, -0.0003864500000000, 0.0000302400000000 ] - [ 0.0007548300000000, 0.0012690900000000, 0.0005559400000000 ] - [ 0.0005638000000000, 0.0004307500000000, 0.0003668500000000 ] - [ 0.0006788100000000, 0.0002545800000000, 0.0002193600000000 ] - [ 0.0007407700000000, 0.0007995800000000, 0.0003161000000000 ] - [ 0.0012046700000000, 0.0007355900000000, -0.0032659200000000 ] - [ -0.0009693100000000, 0.0000988800000000, 0.0000135800000000 ] - [ -0.0004164800000000, 0.0002750000000000, -0.0003203000000000 ] - [ -0.0007148300000000, 0.0003662800000000, -0.0000272400000000 ] - [ -0.0011243600000000, -0.0004113400000000, 0.0009951900000000 ] - [ -0.0001700800000000, -0.0004868200000000, -0.0000605800000000 ] - [ -0.0007905900000000, -0.0002797600000000, 0.0002674300000000 ] - [ -0.0004317200000000, -0.0001530800000000, -0.0000507700000000 ] - [ 0.0000514500000000, -0.0004140700000000, 0.0024797800000000 ] - [ -0.0001417100000000, 0.0001048600000000, -0.0001303000000000 ] - [ 0.0000283700000000, 0.0002535400000000, -0.0000423300000000 ] - [ 0.0000590900000000, 0.0002264900000000, -0.0000958600000000 ] - [ -0.0034009100000000, 0.0004641500000000, 0.0003845200000000 ] - [ 0.0005895400000000, -0.0004299600000000, -0.0021691000000000 ] - [ -0.0008861800000000, -0.0001089900000000, 0.0001980600000000 ] - [ -0.0008022600000000, -0.0000630200000000, 0.0001642200000000 ] - [ 0.0011207600000000, 0.0011053400000000, -0.0029364500000000 ] - [ 0.0000117200000000, -0.0003074400000000, -0.0007618500000000 ] - [ 0.0005644000000000, 0.0000498500000000, -0.0002253600000000 ] - [ 0.0004183800000000, 0.0001087000000000, -0.0001150700000000 ] - [ 0.0016791000000000, 0.0005664300000000, 0.0019138100000000 ] - [ -0.0018272500000000, 0.0000262700000000, 0.0011904700000000 ] - [ -0.0007985300000000, 0.0001942700000000, 0.0002136300000000 ] - [ -0.0009022900000000, 0.0002107500000000, 0.0002342500000000 ] - [ -0.0189135900000000, 0.0054437700000000, 0.0248385400000000 ] - [ 0.0002062400000000, 0.0000204600000000, -0.0002227400000000 ] - [ -0.0004018900000000, -0.0001504200000000, -0.0002146900000000 ] - [ -0.0003183200000000, -0.0001472700000000, -0.0002757000000000 ] - [ 0.0000527700000000, -0.0007134500000000, 0.0004474800000000 ] - [ 0.0003753200000000, -0.0000072300000000, 0.0001870600000000 ] - [ 0.0000624900000000, 0.0003214200000000, 0.0004537800000000 ] - [ 0.0004070800000000, -0.0001786500000000, 0.0002081700000000 ] - [ -0.0006830700000000, -0.0004183800000000, -0.0001723900000000 ] - [ 0.0004095100000000, -0.0000146000000000, -0.0005481700000000 ] - [ -0.0001168800000000, 0.0001286600000000, -0.0001851500000000 ] - [ 0.0000785300000000, 0.0000555300000000, -0.0003774300000000 ] - [ 0.0003671800000000, -0.0003581100000000, -0.0003808000000000 ] - [ -0.0004355700000000, -0.0002712100000000, -0.0000409800000000 ] - [ 0.0001135900000000, -0.0000294700000000, -0.0003280600000000 ] - [ -0.0001095600000000, -0.0000867200000000, -0.0000792300000000 ] - [ 0.0011250200000000, 0.0009031700000000, -0.0006104400000000 ] - [ -0.0011457300000000, 0.0005489200000000, 0.0005941600000000 ] - [ -0.0000045100000000, 0.0001358700000000, 0.0000288500000000 ] - [ -0.0001079400000000, 0.0002315000000000, 0.0000734200000000 ] - [ -0.0020425600000000, 0.0019480600000000, -0.0004830300000000 ] - [ 0.0002747300000000, -0.0001963900000000, -0.0002287200000000 ] - [ -0.0001480000000000, -0.0004321700000000, 0.0000328800000000 ] - [ -0.0000030300000000, -0.0002853100000000, -0.0000051600000000 ] - [ -0.0000089800000000, 0.0024268400000000, -0.0024886600000000 ] - [ -0.0000085600000000, -0.0004738700000000, -0.0005063000000000 ] - [ -0.0000826300000000, -0.0004951200000000, -0.0000865800000000 ] - [ 0.0000282500000000, -0.0003392600000000, -0.0001407100000000 ] - [ 0.0011104400000000, 0.0021664700000000, -0.0004121000000000 ] - [ 0.0000672300000000, 0.0001321900000000, 0.0002859500000000 ] - [ 0.0000756600000000, 0.0000997700000000, -0.0001592500000000 ] - [ -0.0000696600000000, 0.0003415500000000, -0.0000720700000000 ] - [ 0.0047641500000000, -0.0010721900000000, -0.0007014100000000 ] - [ 0.0004613400000000, 0.0001044100000000, 0.0021519100000000 ] - [ 0.0000571800000000, -0.0003106900000000, 0.0003286900000000 ] - [ -0.0000150900000000, -0.0003381400000000, 0.0003777900000000 ] - [ -0.0012340500000000, -0.0017968300000000, -0.0036804700000000 ] - [ 0.0002388400000000, 0.0005372100000000, -0.0003960600000000 ] - [ -0.0000141300000000, 0.0002689000000000, 0.0003747500000000 ] - [ 0.0000604100000000, 0.0002260500000000, 0.0003202500000000 ] - [ 0.0005152200000000, -0.0003765100000000, -0.0002785400000000 ] - [ 0.0000431000000000, 0.0002194800000000, 0.0001629400000000 ] - [ 0.0003737100000000, 0.0002201700000000, -0.0000138500000000 ] - [ 0.0001013700000000, 0.0000180300000000, 0.0001905600000000 ] - [ 0.0007800500000000, 0.0002538800000000, -0.0017172500000000 ] - [ -0.0010013400000000, 0.0002305500000000, -0.0003119900000000 ] - [ -0.0003221700000000, 0.0000594300000000, -0.0002979000000000 ] - [ -0.0004056800000000, 0.0000517300000000, -0.0002358700000000 ] - [ 0.0098463300000000, -0.0067255600000000, -0.0022176900000000 ] - [ 0.0003791300000000, 0.0006693400000000, 0.0007590800000000 ] - [ 0.0002112200000000, 0.0002780900000000, 0.0001189300000000 ] - [ 0.0001843600000000, 0.0001553400000000, -0.0000095200000000 ] - [ 0.0004268200000000, -0.0057842800000000, 0.0037413000000000 ] - [ 0.0002348600000000, 0.0002746900000000, 0.0000110600000000 ] - [ -0.0000523000000000, 0.0003921700000000, 0.0003883700000000 ] - [ 0.0001229100000000, -0.0001838100000000, 0.0000943000000000 ] - [ 0.0000277600000000, -0.0013649700000000, -0.0017480900000000 ] - [ -0.0000914900000000, 0.0002485400000000, 0.0000711500000000 ] - [ 0.0000595300000000, 0.0004579800000000, -0.0002387400000000 ] - [ -0.0001880100000000, -0.0001659900000000, 0.0000486500000000 ] - [ -0.0006689500000000, -0.0039231800000000, -0.0124444400000000 ] - [ 0.0008295900000000, -0.0002276100000000, -0.0007285800000000 ] - [ 0.0001590400000000, -0.0003753700000000, -0.0001380700000000 ] - [ 0.0002056800000000, -0.0004446800000000, 0.0000159200000000 ]- atom: 61 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0004211600000000, 0.0000098000000000, 0.0001168800000000 ] - [ 0.0005317200000000, -0.0000603000000000, -0.0003349400000000 ] - [ 0.0002959800000000, 0.0000003200000000, 0.0008479100000000 ] - [ 0.0004866600000000, -0.0000869000000000, -0.0009223200000000 ] - [ 0.0005482300000000, -0.0007985100000000, 0.0001591100000000 ] - [ -0.0003724000000000, 0.0000353600000000, -0.0001992200000000 ] - [ 0.0006598600000000, -0.0001060800000000, -0.0000810100000000 ] - [ -0.0003249800000000, -0.0002250700000000, -0.0000677500000000 ] - [ 0.0004825500000000, 0.0001761100000000, -0.0003238200000000 ] - [ 0.0004297600000000, -0.0000450600000000, -0.0003181300000000 ] - [ 0.0006613600000000, -0.0022572900000000, 0.0021158700000000 ] - [ -0.0005423600000000, 0.0015081600000000, -0.0017757400000000 ] - [ 0.0025653500000000, -0.0004139600000000, 0.0005265100000000 ] - [ -0.0001567800000000, -0.0001044900000000, -0.0007245400000000 ] - [ 0.0005011000000000, -0.0001245300000000, -0.0003031100000000 ] - [ 0.0003760600000000, -0.0002429100000000, -0.0004342800000000 ] - [ 0.0030138000000000, -0.0002347200000000, -0.0003711300000000 ] - [ -0.0018997900000000, -0.0002892500000000, -0.0004923500000000 ] - [ -0.0001219700000000, -0.0000709400000000, 0.0002089100000000 ] - [ -0.0001918000000000, -0.0000744900000000, 0.0002146500000000 ] - [ -0.0001192500000000, -0.0000906500000000, 0.0002805500000000 ] - [ -0.0001374600000000, -0.0000347600000000, 0.0002073500000000 ] - [ 0.0019063200000000, 0.0001499400000000, 0.0026638100000000 ] - [ -0.0010155100000000, 0.0000959900000000, -0.0004690100000000 ] - [ 0.0006301000000000, -0.0006293100000000, 0.0001646000000000 ] - [ 0.0006644900000000, -0.0007036300000000, 0.0001387200000000 ] - [ -0.0018502200000000, -0.0009178100000000, 0.0008701500000000 ] - [ 0.0049387800000000, -0.0014403300000000, 0.0009807800000000 ] - [ 0.0025297700000000, 0.0009151600000000, -0.0021212200000000 ] - [ -0.0001445500000000, 0.0007242200000000, 0.0008110000000000 ] - [ 0.0006817300000000, 0.0005649000000000, 0.0001469700000000 ] - [ 0.0005902400000000, 0.0005696000000000, 0.0001695000000000 ] - [ -0.0005151300000000, 0.0002526700000000, -0.0000994300000000 ] - [ -0.0006591900000000, 0.0001785300000000, -0.0000450600000000 ] - [ 0.0009792600000000, -0.0003732800000000, -0.0000906300000000 ] - [ -0.0023851700000000, 0.0010186200000000, 0.0003639700000000 ] - [ -0.0003802300000000, -0.0004834200000000, 0.0009685500000000 ] - [ -0.0002652200000000, -0.0002465300000000, -0.0007935500000000 ] - [ -0.0006380300000000, -0.0003202100000000, 0.0000087200000000 ] - [ -0.0005335400000000, -0.0002956300000000, -0.0001182700000000 ] - [ 0.0000621000000000, 0.0006242100000000, 0.0002355500000000 ] - [ -0.0002558400000000, -0.0003303200000000, -0.0004640400000000 ] - [ -0.0000072400000000, -0.0003646600000000, 0.0002165900000000 ] - [ -0.0000234500000000, 0.0004138000000000, -0.0003719900000000 ] - [ -0.0008709700000000, -0.0011761100000000, 0.0003872400000000 ] - [ -0.0016055700000000, 0.0006501600000000, 0.0000466100000000 ] - [ -0.0007036000000000, 0.0001180200000000, 0.0002902100000000 ] - [ -0.0011038900000000, -0.0004686200000000, 0.0000835000000000 ] - [ 0.0031888700000000, -0.0005291400000000, -0.0004162800000000 ] - [ -0.0000974300000000, 0.0000912200000000, -0.0000722900000000 ] - [ 0.0007605900000000, 0.0000078900000000, -0.0001410800000000 ] - [ 0.0002888100000000, -0.0000680500000000, -0.0000773100000000 ] - [ -0.0006886400000000, 0.0002535000000000, 0.0001806700000000 ] - [ -0.0009632000000000, 0.0000587600000000, 0.0002193400000000 ] - [ -0.0002721200000000, -0.0000386200000000, 0.0003812700000000 ] - [ -0.0012649200000000, 0.0002758600000000, 0.0000407800000000 ] - [ -0.0006687100000000, -0.0005725000000000, -0.0002466500000000 ] - [ -0.0000953900000000, 0.0000412200000000, -0.0002516500000000 ] - [ -0.0006662300000000, 0.0006757700000000, -0.0002571400000000 ] - [ -0.0000958600000000, -0.0004162700000000, -0.0002900300000000 ] - [ -0.0280328600000000, -0.0045522800000000, 0.0037606400000000 ] - [ 0.0012019500000000, -0.0000887400000000, 0.0001544000000000 ] - [ 0.0001827500000000, -0.0000543300000000, 0.0001990900000000 ] - [ 0.0002799100000000, -0.0000624700000000, 0.0001635000000000 ] - [ -0.0000447800000000, 0.0001183400000000, -0.0002303000000000 ] - [ 0.0000355200000000, 0.0001138800000000, -0.0002699000000000 ] - [ -0.0020578500000000, 0.0000410400000000, -0.0000873200000000 ] - [ 0.0004466900000000, 0.0000611300000000, -0.0003542000000000 ] - [ 0.0044071400000000, 0.0008845000000000, -0.0027783400000000 ] - [ 0.0042442400000000, -0.0010836600000000, 0.0021139300000000 ] - [ 0.0000164300000000, -0.0000673000000000, -0.0002820400000000 ] - [ -0.0000285600000000, -0.0000275400000000, -0.0002282900000000 ] - [ -0.0000175900000000, 0.0004604400000000, -0.0000332300000000 ] - [ -0.0000868300000000, 0.0001640500000000, 0.0000960500000000 ] - [ 0.0003970500000000, -0.0013140800000000, -0.0010046100000000 ] - [ 0.0004994600000000, 0.0007260600000000, 0.0005520700000000 ] - [ -0.0011723800000000, -0.0012623600000000, -0.0008614700000000 ] - [ 0.0002843800000000, -0.0001703200000000, 0.0001768800000000 ] - [ -0.0001588400000000, -0.0001664300000000, 0.0000340800000000 ] - [ 0.0000076000000000, -0.0002720300000000, 0.0000340100000000 ] - [ -0.0000965600000000, -0.0002571700000000, -0.0001184000000000 ] - [ 0.0000529700000000, -0.0003129900000000, -0.0001277100000000 ] - [ -0.0011937100000000, 0.0008054800000000, 0.0013947100000000 ] - [ 0.0003399700000000, -0.0004657700000000, -0.0003877900000000 ] - [ 0.0009413600000000, -0.0003490300000000, -0.0007477100000000 ] - [ 0.0013600000000000, 0.0021532700000000, 0.0021890000000000 ] - [ 0.0000383500000000, 0.0004430600000000, -0.0001327100000000 ] - [ -0.0000506600000000, 0.0002829400000000, -0.0000880000000000 ] - [ 0.0001166300000000, -0.0003889000000000, 0.0002633800000000 ] - [ -0.0000274400000000, -0.0000341100000000, 0.0004963300000000 ] - [ 0.0004585800000000, 0.0000560200000000, 0.0001986400000000 ] - [ -0.0003478400000000, -0.0010032700000000, 0.0006316900000000 ] - [ -0.0002924100000000, -0.0002714600000000, 0.0007848000000000 ] - [ 0.0003264700000000, 0.0004311100000000, 0.0001305600000000 ] - [ -0.0000382600000000, 0.0004052400000000, 0.0004750900000000 ] - [ 0.0000770500000000, 0.0002640600000000, 0.0002470000000000 ] - [ 0.0002506100000000, 0.0001295700000000, 0.0001476800000000 ] - [ 0.0002058700000000, 0.0001219300000000, 0.0002184400000000 ] - [ 0.0006621500000000, 0.0000350000000000, -0.0009045100000000 ] - [ 0.0004348200000000, 0.0001334100000000, 0.0010950000000000 ] - [ -0.0002890100000000, 0.0001969400000000, -0.0005523300000000 ] - [ -0.0003930900000000, 0.0001018800000000, -0.0000492500000000 ] - [ -0.0002993500000000, 0.0000789300000000, -0.0003869900000000 ] - [ -0.0004119600000000, 0.0001247700000000, -0.0001327900000000 ] - [ -0.0005457900000000, 0.0040797200000000, -0.0007309400000000 ] - [ 0.0011855300000000, 0.0001750600000000, 0.0000085100000000 ] - [ -0.0001156400000000, 0.0002067800000000, -0.0000127200000000 ] - [ 0.0005384900000000, 0.0004854800000000, 0.0000099600000000 ] - [ -0.0000420500000000, 0.0000484700000000, 0.0001314200000000 ] - [ -0.0000165600000000, 0.0001426300000000, 0.0000701600000000 ] - [ 0.0087951900000000, 0.0057635800000000, -0.0060671200000000 ] - [ 0.0050309000000000, -0.0016205400000000, 0.0018468100000000 ] - [ -0.0047405300000000, 0.0006164100000000, -0.0029672600000000 ] - [ 0.0007222900000000, -0.0002826500000000, 0.0008868500000000 ] - [ -0.0000621400000000, 0.0000611600000000, 0.0000193200000000 ] - [ -0.0000128100000000, 0.0000791400000000, 0.0001646900000000 ] - [ 0.0000282300000000, -0.0006072800000000, -0.0002608400000000 ] - [ 0.0003409200000000, 0.0000056400000000, 0.0002142900000000 ] - [ -0.0004134200000000, 0.0010098500000000, -0.0016803900000000 ] - [ 0.0005213900000000, -0.0010676900000000, 0.0011958800000000 ]- atom: 61 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0005579200000000, -0.0000231600000000, -0.0003597100000000 ] - [ 0.0004451600000000, 0.0000508500000000, 0.0001035500000000 ] - [ 0.0006846600000000, -0.0000135300000000, -0.0010922700000000 ] - [ 0.0004992400000000, 0.0000720300000000, 0.0006682100000000 ] - [ -0.0004886900000000, 0.0004934100000000, -0.0003543300000000 ] - [ 0.0004384200000000, -0.0003418000000000, 0.0000049900000000 ] - [ -0.0006029800000000, -0.0001873900000000, -0.0001187700000000 ] - [ 0.0003934000000000, -0.0000864500000000, -0.0001258000000000 ] - [ 0.0004245800000000, 0.0000560800000000, -0.0003495500000000 ] - [ 0.0004739900000000, 0.0002868300000000, -0.0003632800000000 ] - [ 0.0002469200000000, 0.0024795200000000, -0.0027766400000000 ] - [ 0.0014469600000000, -0.0012823400000000, 0.0011128300000000 ] - [ -0.0016758800000000, 0.0001618200000000, -0.0011710700000000 ] - [ 0.0010619300000000, -0.0001234000000000, 0.0000520100000000 ] - [ 0.0004020300000000, -0.0001205500000000, -0.0003800100000000 ] - [ 0.0005346900000000, 0.0000236600000000, -0.0002269200000000 ] - [ -0.0031503000000000, 0.0002360000000000, 0.0006724200000000 ] - [ 0.0016222200000000, 0.0002822100000000, 0.0009538400000000 ] - [ -0.0001660400000000, 0.0000526200000000, 0.0002408000000000 ] - [ -0.0000982700000000, 0.0000521100000000, 0.0002340700000000 ] - [ -0.0001730700000000, 0.0001152800000000, 0.0001667400000000 ] - [ -0.0001341800000000, 0.0000270900000000, 0.0002555700000000 ] - [ -0.0022153400000000, -0.0001321100000000, -0.0021720800000000 ] - [ 0.0007241300000000, -0.0000784100000000, 0.0009162200000000 ] - [ 0.0006583400000000, -0.0006017000000000, 0.0001473600000000 ] - [ 0.0006284200000000, -0.0005276800000000, 0.0001733200000000 ] - [ 0.0031258100000000, -0.0003148200000000, -0.0005527500000000 ] - [ -0.0039112800000000, 0.0003523600000000, -0.0008349600000000 ] - [ -0.0012374000000000, 0.0003175000000000, 0.0024445400000000 ] - [ 0.0014343600000000, 0.0005063500000000, -0.0005038600000000 ] - [ 0.0006150700000000, 0.0006644800000000, 0.0001651500000000 ] - [ 0.0006700000000000, 0.0006574900000000, 0.0001432600000000 ] - [ -0.0006584300000000, 0.0002756100000000, -0.0000186500000000 ] - [ -0.0005178200000000, 0.0003537800000000, -0.0000664400000000 ] - [ -0.0020029400000000, 0.0010160200000000, -0.0000416800000000 ] - [ 0.0012230500000000, -0.0004984200000000, -0.0004881100000000 ] - [ -0.0007901800000000, -0.0000394700000000, -0.0010912200000000 ] - [ -0.0009099300000000, -0.0002813000000000, 0.0006724100000000 ] - [ -0.0005404200000000, -0.0002159300000000, -0.0001142000000000 ] - [ -0.0006318000000000, -0.0002261200000000, -0.0000236700000000 ] - [ 0.0000005400000000, -0.0003211900000000, -0.0004315300000000 ] - [ 0.0003133200000000, 0.0006259600000000, 0.0002637100000000 ] - [ 0.0000695700000000, 0.0006648900000000, -0.0004141100000000 ] - [ 0.0000906200000000, -0.0001018100000000, 0.0001777600000000 ] - [ -0.0008421400000000, 0.0008954700000000, 0.0000235500000000 ] - [ -0.0001083700000000, -0.0009301500000000, 0.0003626900000000 ] - [ -0.0009870900000000, -0.0004047300000000, 0.0001209200000000 ] - [ -0.0006100000000000, 0.0001795300000000, 0.0003267200000000 ] - [ -0.0022254300000000, 0.0005065100000000, 0.0001768400000000 ] - [ 0.0010807700000000, -0.0000732500000000, -0.0001769400000000 ] - [ 0.0002161800000000, 0.0000005000000000, -0.0000930100000000 ] - [ 0.0006947400000000, 0.0000813300000000, -0.0001721500000000 ] - [ -0.0010138000000000, 0.0000320100000000, 0.0002280500000000 ] - [ -0.0007255500000000, 0.0002252900000000, 0.0001924600000000 ] - [ -0.0014334400000000, 0.0003257000000000, 0.0000289200000000 ] - [ -0.0004538300000000, 0.0000145800000000, 0.0003693800000000 ] - [ -0.0000599400000000, 0.0003743900000000, -0.0002637100000000 ] - [ -0.0006264000000000, -0.0002416100000000, -0.0002595800000000 ] - [ -0.0000578700000000, -0.0008737800000000, -0.0002532900000000 ] - [ -0.0006270300000000, 0.0002180500000000, -0.0002216400000000 ] - [ 0.0283807700000000, 0.0040686900000000, -0.0030462200000000 ] - [ -0.0007426200000000, -0.0001017700000000, 0.0002097300000000 ] - [ 0.0002761500000000, -0.0001347200000000, 0.0001661500000000 ] - [ 0.0001791800000000, -0.0001273700000000, 0.0002018000000000 ] - [ 0.0000348300000000, 0.0000513400000000, -0.0002785900000000 ] - [ -0.0000449700000000, 0.0000556900000000, -0.0002389300000000 ] - [ 0.0020479600000000, 0.0001211000000000, -0.0004065600000000 ] - [ -0.0004567700000000, 0.0001066900000000, -0.0001582200000000 ] - [ -0.0044624700000000, -0.0010696500000000, 0.0023058500000000 ] - [ -0.0042128800000000, 0.0009016000000000, -0.0025920800000000 ] - [ -0.0000254500000000, -0.0001008000000000, -0.0002267900000000 ] - [ 0.0000189500000000, -0.0001408100000000, -0.0002795200000000 ] - [ -0.0001094300000000, 0.0000648900000000, 0.0001118300000000 ] - [ -0.0000417400000000, 0.0003589400000000, -0.0000172900000000 ] - [ -0.0005222600000000, 0.0018455100000000, 0.0010897400000000 ] - [ -0.0006263200000000, -0.0001986200000000, -0.0004714500000000 ] - [ 0.0010355600000000, 0.0007391300000000, 0.0009494400000000 ] - [ -0.0004138700000000, -0.0003547900000000, -0.0001018600000000 ] - [ 0.0000304400000000, -0.0003569100000000, 0.0000441300000000 ] - [ -0.0001359600000000, -0.0002516900000000, 0.0000447200000000 ] - [ 0.0000672800000000, -0.0003970200000000, -0.0001055000000000 ] - [ -0.0000810400000000, -0.0003431400000000, -0.0000952400000000 ] - [ 0.0011513400000000, -0.0014707400000000, -0.0016214800000000 ] - [ -0.0003687200000000, -0.0001887800000000, 0.0001658000000000 ] - [ -0.0009645000000000, 0.0010007900000000, 0.0005165400000000 ] - [ -0.0013879400000000, -0.0015130700000000, -0.0024276100000000 ] - [ -0.0000660100000000, 0.0002127800000000, -0.0000912000000000 ] - [ 0.0000222100000000, 0.0003732000000000, -0.0001357200000000 ] - [ -0.0000722800000000, -0.0001735700000000, 0.0004351400000000 ] - [ 0.0000741100000000, -0.0005259000000000, 0.0002055300000000 ] - [ -0.0004138800000000, -0.0006164600000000, 0.0005012300000000 ] - [ 0.0003925700000000, 0.0004416400000000, 0.0000682400000000 ] - [ 0.0003297700000000, 0.0008338700000000, -0.0000850000000000 ] - [ -0.0002804200000000, 0.0001282400000000, 0.0005706900000000 ] - [ 0.0000825000000000, 0.0001566500000000, 0.0002255200000000 ] - [ -0.0000329600000000, 0.0002981600000000, 0.0004533200000000 ] - [ 0.0002086300000000, 0.0000613200000000, 0.0002172100000000 ] - [ 0.0002535600000000, 0.0000679900000000, 0.0001462700000000 ] - [ -0.0001990800000000, 0.0001537500000000, 0.0012677000000000 ] - [ 0.0000225800000000, 0.0000565600000000, -0.0007289200000000 ] - [ -0.0004325900000000, 0.0000043800000000, 0.0000385900000000 ] - [ -0.0003300500000000, 0.0000960900000000, -0.0004597300000000 ] - [ -0.0004233300000000, 0.0001205100000000, -0.0001238300000000 ] - [ -0.0003114400000000, 0.0000751300000000, -0.0003777400000000 ] - [ 0.0009697800000000, -0.0034431900000000, 0.0007021600000000 ] - [ -0.0007989500000000, 0.0004325900000000, -0.0000294900000000 ] - [ 0.0005102000000000, 0.0004017500000000, -0.0000104900000000 ] - [ -0.0001515700000000, 0.0001306200000000, -0.0000322300000000 ] - [ -0.0000239900000000, -0.0000141600000000, 0.0000479500000000 ] - [ -0.0000534700000000, -0.0001099700000000, 0.0001095200000000 ] - [ -0.0087677300000000, -0.0056565200000000, 0.0061678800000000 ] - [ -0.0051147100000000, 0.0016721700000000, -0.0017008900000000 ] - [ 0.0046823900000000, -0.0006461700000000, 0.0030794200000000 ] - [ -0.0007892900000000, 0.0002485200000000, -0.0007049500000000 ] - [ -0.0000076900000000, -0.0000872500000000, 0.0001637000000000 ] - [ -0.0000541700000000, -0.0001066800000000, 0.0000150600000000 ] - [ 0.0003535600000000, -0.0000052500000000, 0.0002402000000000 ] - [ 0.0000440300000000, -0.0006174500000000, -0.0002356100000000 ] - [ 0.0007937100000000, -0.0016193600000000, 0.0016560600000000 ] - [ -0.0001426900000000, 0.0004553500000000, -0.0012203200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004515900000000, -0.0003874800000000, -0.0000976600000000 ] - [ 0.0005924900000000, -0.0003659300000000, -0.0000696300000000 ] - [ 0.0005389600000000, -0.0000227300000000, -0.0000435400000000 ] - [ 0.0001848600000000, -0.0001360900000000, -0.0004759000000000 ] - [ 0.0002397000000000, -0.0019511600000000, 0.0011700700000000 ] - [ 0.0000920200000000, -0.0001812900000000, -0.0000948700000000 ] - [ 0.0004793100000000, -0.0019869000000000, -0.0003906400000000 ] - [ -0.0000071100000000, -0.0004337000000000, -0.0000681300000000 ] - [ 0.0006506800000000, -0.0006056300000000, -0.0000973400000000 ] - [ 0.0004399400000000, -0.0004889100000000, -0.0001154500000000 ] - [ -0.0000626500000000, 0.0001186200000000, 0.0006916500000000 ] - [ 0.0008940400000000, 0.0000472600000000, -0.0000908900000000 ] - [ 0.0005277400000000, 0.0031504100000000, 0.0022722300000000 ] - [ 0.0006421900000000, 0.0006383100000000, -0.0000577000000000 ] - [ 0.0003280800000000, -0.0013405800000000, -0.0009663400000000 ] - [ 0.0003195300000000, -0.0007703300000000, -0.0006502400000000 ] - [ -0.0001375000000000, 0.0038975300000000, 0.0012348000000000 ] - [ 0.0006842700000000, 0.0014684400000000, 0.0006567900000000 ] - [ -0.0002599600000000, -0.0006605100000000, 0.0001132600000000 ] - [ -0.0002691100000000, -0.0006050400000000, 0.0001137100000000 ] - [ -0.0000027000000000, -0.0008169700000000, 0.0003534200000000 ] - [ -0.0000445500000000, -0.0005297100000000, 0.0003073300000000 ] - [ -0.0003390300000000, 0.0037648400000000, -0.0007101100000000 ] - [ -0.0003274100000000, 0.0009501700000000, 0.0000119600000000 ] - [ 0.0007789500000000, -0.0010148500000000, 0.0001429300000000 ] - [ 0.0006110300000000, -0.0011932300000000, 0.0001475000000000 ] - [ -0.0004476200000000, 0.0002915500000000, 0.0009232300000000 ] - [ -0.0001486700000000, 0.0029049900000000, -0.0005692300000000 ] - [ 0.0010977200000000, 0.0028913400000000, 0.0010110500000000 ] - [ 0.0006127800000000, 0.0013410100000000, 0.0002126900000000 ] - [ 0.0005523200000000, 0.0000875300000000, 0.0001265900000000 ] - [ 0.0005927200000000, 0.0001909100000000, 0.0001405700000000 ] - [ -0.0004405100000000, -0.0003669900000000, -0.0001358000000000 ] - [ -0.0006884300000000, -0.0002097800000000, -0.0001426900000000 ] - [ -0.0014679100000000, 0.0032127700000000, 0.0006926900000000 ] - [ 0.0003739100000000, 0.0005807900000000, -0.0003616500000000 ] - [ -0.0007536900000000, 0.0010124400000000, 0.0005980800000000 ] - [ -0.0006522700000000, 0.0006832600000000, -0.0005784200000000 ] - [ -0.0005943300000000, -0.0007424600000000, -0.0000751100000000 ] - [ -0.0005898100000000, -0.0007080800000000, 0.0000008400000000 ] - [ 0.0003168400000000, -0.0000681500000000, -0.0002402300000000 ] - [ -0.0003247800000000, -0.0000298000000000, -0.0003522600000000 ] - [ -0.0001176700000000, -0.0003269200000000, -0.0000708200000000 ] - [ 0.0001188000000000, -0.0002691000000000, -0.0001057100000000 ] - [ -0.0028657800000000, -0.0009021700000000, 0.0010189700000000 ] - [ 0.0001949700000000, -0.0001191600000000, 0.0003340600000000 ] - [ -0.0005423000000000, -0.0007154900000000, 0.0002130200000000 ] - [ -0.0011851700000000, -0.0005947900000000, 0.0001338200000000 ] - [ -0.0002823900000000, 0.0008032900000000, 0.0001609600000000 ] - [ 0.0006240500000000, 0.0004266900000000, -0.0002740900000000 ] - [ 0.0005669100000000, -0.0007591300000000, 0.0000940900000000 ] - [ 0.0004316700000000, -0.0003597800000000, -0.0000728100000000 ] - [ -0.0006831300000000, -0.0002758800000000, -0.0001269400000000 ] - [ -0.0008191600000000, -0.0000475300000000, 0.0003836800000000 ] - [ -0.0009161200000000, -0.0002552400000000, 0.0005814400000000 ] - [ -0.0007808400000000, -0.0000094300000000, 0.0000587000000000 ] - [ -0.0011338400000000, 0.0010337500000000, -0.0000351500000000 ] - [ -0.0000454500000000, 0.0000662200000000, -0.0001474200000000 ] - [ 0.0001171100000000, 0.0010417200000000, -0.0004370100000000 ] - [ -0.0005038200000000, 0.0000649700000000, -0.0002506800000000 ] - [ -0.0040450700000000, -0.0207016900000000, 0.0038358300000000 ] - [ 0.0002357400000000, -0.0005989100000000, 0.0003306300000000 ] - [ 0.0002698800000000, 0.0003555700000000, 0.0001485000000000 ] - [ 0.0002628800000000, 0.0002023900000000, 0.0001470900000000 ] - [ 0.0000106900000000, 0.0004714100000000, -0.0001944600000000 ] - [ 0.0000241300000000, 0.0003848800000000, -0.0002422400000000 ] - [ -0.0000133300000000, -0.0007285600000000, -0.0028618800000000 ] - [ -0.0000098100000000, -0.0003223800000000, -0.0003396700000000 ] - [ 0.0011195600000000, -0.0018985500000000, -0.0005620200000000 ] - [ -0.0009736400000000, -0.0017153000000000, -0.0004939800000000 ] - [ -0.0000581400000000, 0.0003156800000000, -0.0002724100000000 ] - [ -0.0000228400000000, 0.0002680300000000, -0.0002805900000000 ] - [ 0.0001017900000000, 0.0008808000000000, -0.0000646500000000 ] - [ -0.0001691700000000, 0.0005538300000000, 0.0000114200000000 ] - [ -0.0015212100000000, 0.0010939400000000, 0.0011153800000000 ] - [ 0.0004227900000000, 0.0002758000000000, 0.0002815300000000 ] - [ -0.0008660000000000, -0.0000363100000000, 0.0026140200000000 ] - [ -0.0000147100000000, -0.0006397600000000, -0.0000831600000000 ] - [ -0.0000504400000000, 0.0001621700000000, -0.0000245400000000 ] - [ -0.0000706700000000, 0.0000693600000000, 0.0000609700000000 ] - [ -0.0001227300000000, 0.0002281200000000, -0.0002504200000000 ] - [ 0.0000745700000000, -0.0000136900000000, -0.0000949900000000 ] - [ 0.0012603500000000, 0.0013138000000000, 0.0033972800000000 ] - [ -0.0001256800000000, -0.0005835700000000, -0.0001016600000000 ] - [ -0.0003850800000000, -0.0002259100000000, -0.0000027200000000 ] - [ 0.0019034300000000, -0.0003441600000000, 0.0014820000000000 ] - [ 0.0000021400000000, 0.0007029000000000, -0.0001050900000000 ] - [ -0.0000701600000000, 0.0007495300000000, -0.0001514700000000 ] - [ -0.0000702000000000, -0.0001570700000000, 0.0003346200000000 ] - [ 0.0003504800000000, 0.0004266300000000, 0.0007295700000000 ] - [ 0.0002156400000000, -0.0001144000000000, 0.0003129600000000 ] - [ -0.0005304300000000, 0.0006964000000000, -0.0002248700000000 ] - [ -0.0006733000000000, 0.0007092300000000, -0.0004931700000000 ] - [ 0.0003454900000000, 0.0001355000000000, 0.0002660700000000 ] - [ 0.0001316000000000, 0.0006988500000000, 0.0004666400000000 ] - [ -0.0000695100000000, 0.0005401600000000, 0.0003358500000000 ] - [ 0.0001958900000000, 0.0004348800000000, 0.0002073000000000 ] - [ 0.0002024400000000, 0.0004083800000000, 0.0002217300000000 ] - [ 0.0002892600000000, -0.0004642700000000, 0.0000377400000000 ] - [ 0.0001911700000000, -0.0004835900000000, -0.0000005100000000 ] - [ -0.0002655500000000, 0.0002297900000000, -0.0007577800000000 ] - [ -0.0003587200000000, 0.0000605700000000, -0.0001027000000000 ] - [ -0.0003828600000000, 0.0003723400000000, -0.0001177100000000 ] - [ -0.0003371000000000, 0.0003373700000000, -0.0003313800000000 ] - [ 0.0044187900000000, 0.0083636700000000, -0.0048010000000000 ] - [ -0.0005340700000000, -0.0003075300000000, -0.0000552300000000 ] - [ -0.0003353900000000, 0.0020306000000000, -0.0001356500000000 ] - [ 0.0004668000000000, 0.0009257100000000, 0.0000750700000000 ] - [ -0.0001758400000000, 0.0009444500000000, 0.0001393600000000 ] - [ 0.0000774200000000, 0.0008278700000000, 0.0000967600000000 ] - [ 0.0049219700000000, -0.0021128800000000, -0.0048101800000000 ] - [ -0.0028908100000000, -0.0003879300000000, -0.0004967500000000 ] - [ 0.0003710500000000, -0.0063362400000000, -0.0044036800000000 ] - [ -0.0000359000000000, -0.0011889100000000, 0.0002747100000000 ] - [ 0.0000303000000000, 0.0010822700000000, 0.0003358600000000 ] - [ -0.0000160300000000, 0.0007393000000000, 0.0001347000000000 ] - [ -0.0000487900000000, 0.0003285300000000, -0.0000324800000000 ] - [ 0.0002426400000000, 0.0001876100000000, -0.0001160700000000 ] - [ 0.0003676800000000, 0.0004482600000000, -0.0005084700000000 ] - [ 0.0001151100000000, -0.0000128600000000, 0.0001243000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005289700000000, 0.0003781500000000, -0.0001328400000000 ] - [ 0.0003875300000000, 0.0003546500000000, -0.0001627000000000 ] - [ 0.0004429000000000, 0.0000145000000000, -0.0001877400000000 ] - [ 0.0007931400000000, 0.0001283800000000, 0.0002440600000000 ] - [ -0.0001755700000000, 0.0016602800000000, -0.0013743200000000 ] - [ -0.0000322100000000, -0.0001153500000000, -0.0001042000000000 ] - [ -0.0004182700000000, 0.0016837100000000, 0.0001858800000000 ] - [ 0.0000646100000000, 0.0001455500000000, -0.0001333900000000 ] - [ 0.0002539600000000, 0.0008459100000000, -0.0005805200000000 ] - [ 0.0004668700000000, 0.0007216800000000, -0.0005574900000000 ] - [ 0.0009664500000000, 0.0001164600000000, -0.0013605000000000 ] - [ 0.0000054300000000, 0.0002021500000000, -0.0005932700000000 ] - [ 0.0003500800000000, -0.0034769000000000, -0.0028860300000000 ] - [ 0.0002623100000000, -0.0008834200000000, -0.0006237200000000 ] - [ 0.0005796600000000, 0.0011066100000000, 0.0002932000000000 ] - [ 0.0005872100000000, 0.0005355200000000, -0.0000247200000000 ] - [ -0.0001423600000000, -0.0038965700000000, -0.0007705400000000 ] - [ -0.0009732700000000, -0.0014821600000000, -0.0002052700000000 ] - [ -0.0000251700000000, 0.0006520200000000, 0.0003391700000000 ] - [ -0.0000146200000000, 0.0005962300000000, 0.0003399200000000 ] - [ -0.0002778400000000, 0.0008216900000000, 0.0001018400000000 ] - [ -0.0002387000000000, 0.0005369800000000, 0.0001464600000000 ] - [ 0.0000494200000000, -0.0037625700000000, 0.0011917100000000 ] - [ 0.0000405600000000, -0.0009352400000000, 0.0004384200000000 ] - [ 0.0005084900000000, -0.0002116700000000, 0.0001679500000000 ] - [ 0.0006783100000000, -0.0000335700000000, 0.0001642700000000 ] - [ 0.0017309800000000, -0.0015151700000000, -0.0006133700000000 ] - [ 0.0013569700000000, -0.0041024100000000, 0.0008321200000000 ] - [ 0.0001822800000000, -0.0016753600000000, -0.0006897800000000 ] - [ 0.0006820000000000, -0.0001152600000000, 0.0000979300000000 ] - [ 0.0007296900000000, 0.0011399000000000, 0.0001841000000000 ] - [ 0.0006918400000000, 0.0010358200000000, 0.0001704000000000 ] - [ -0.0007365300000000, 0.0008989700000000, 0.0000092800000000 ] - [ -0.0004857600000000, 0.0007394400000000, 0.0000162800000000 ] - [ 0.0004236300000000, -0.0025795000000000, -0.0008330000000000 ] - [ -0.0015507600000000, -0.0000478100000000, 0.0002378900000000 ] - [ -0.0004199300000000, -0.0015472900000000, -0.0007349800000000 ] - [ -0.0005252200000000, -0.0012202600000000, 0.0004603900000000 ] - [ -0.0005786200000000, 0.0002157400000000, -0.0000582500000000 ] - [ -0.0005839800000000, 0.0001794500000000, -0.0001295500000000 ] - [ -0.0002620100000000, 0.0003597400000000, 0.0000403100000000 ] - [ 0.0003849700000000, 0.0003213100000000, 0.0001536800000000 ] - [ 0.0001764500000000, 0.0006213100000000, -0.0001299400000000 ] - [ -0.0000611700000000, 0.0005623500000000, -0.0000950900000000 ] - [ 0.0011674000000000, 0.0006210000000000, -0.0006134900000000 ] - [ -0.0019052700000000, -0.0001668000000000, 0.0000761800000000 ] - [ -0.0011555300000000, 0.0004308600000000, 0.0001989100000000 ] - [ -0.0005174100000000, 0.0003118600000000, 0.0002774300000000 ] - [ 0.0012099000000000, -0.0010651600000000, -0.0004498200000000 ] - [ 0.0003566800000000, -0.0004181700000000, 0.0000411000000000 ] - [ 0.0004133100000000, 0.0007671800000000, -0.0003200800000000 ] - [ 0.0005489100000000, 0.0003715800000000, -0.0001582400000000 ] - [ -0.0010162500000000, 0.0005611900000000, 0.0005398700000000 ] - [ -0.0008841300000000, 0.0003300900000000, 0.0000267200000000 ] - [ -0.0007882700000000, 0.0005414500000000, -0.0001684700000000 ] - [ -0.0009216500000000, 0.0002977200000000, 0.0003507700000000 ] - [ 0.0004147300000000, -0.0012428700000000, -0.0004795300000000 ] - [ -0.0006796500000000, -0.0002654300000000, -0.0003654600000000 ] - [ -0.0008329700000000, -0.0012361000000000, -0.0000772400000000 ] - [ -0.0002209500000000, -0.0002664100000000, -0.0002624400000000 ] - [ 0.0045866400000000, 0.0208336200000000, -0.0034791800000000 ] - [ 0.0002235800000000, 0.0004101500000000, 0.0000346800000000 ] - [ 0.0001901200000000, -0.0005461000000000, 0.0002178100000000 ] - [ 0.0001976900000000, -0.0003933700000000, 0.0002196200000000 ] - [ -0.0000209300000000, -0.0003002700000000, -0.0003142200000000 ] - [ -0.0000337500000000, -0.0002136800000000, -0.0002662700000000 ] - [ 0.0000038500000000, 0.0008834900000000, 0.0023585100000000 ] - [ -0.0000008500000000, 0.0004929700000000, -0.0001685200000000 ] - [ -0.0011178000000000, 0.0017382900000000, 0.0000492700000000 ] - [ 0.0009506200000000, 0.0015553100000000, -0.0000207300000000 ] - [ 0.0000477000000000, -0.0004872800000000, -0.0002360700000000 ] - [ 0.0000134000000000, -0.0004401600000000, -0.0002275900000000 ] - [ -0.0002293500000000, -0.0003574500000000, 0.0001437200000000 ] - [ 0.0000431800000000, -0.0000291000000000, 0.0000670200000000 ] - [ 0.0013831400000000, -0.0005703900000000, -0.0010296800000000 ] - [ -0.0005491100000000, 0.0002467300000000, -0.0002041800000000 ] - [ 0.0007447300000000, -0.0004811000000000, -0.0025524200000000 ] - [ -0.0001126200000000, 0.0001181400000000, 0.0001609100000000 ] - [ -0.0000758800000000, -0.0006874600000000, 0.0001022000000000 ] - [ -0.0000557000000000, -0.0005949300000000, 0.0000179600000000 ] - [ 0.0000936100000000, -0.0008852700000000, 0.0000278400000000 ] - [ -0.0001040800000000, -0.0006422500000000, -0.0001288100000000 ] - [ -0.0012778200000000, -0.0019703300000000, -0.0035951500000000 ] - [ 0.0000955700000000, -0.0000733700000000, -0.0001221100000000 ] - [ 0.0003557800000000, 0.0008869800000000, -0.0002213500000000 ] - [ -0.0019382400000000, 0.0010124300000000, -0.0017108700000000 ] - [ -0.0000310300000000, -0.0000480300000000, -0.0001184400000000 ] - [ 0.0000398200000000, -0.0000939200000000, -0.0000727700000000 ] - [ 0.0001158800000000, -0.0004057400000000, 0.0003650200000000 ] - [ -0.0003068200000000, -0.0009939300000000, -0.0000321900000000 ] - [ -0.0001709500000000, -0.0004522200000000, 0.0003873700000000 ] - [ 0.0005689100000000, -0.0012567100000000, 0.0009183800000000 ] - [ 0.0007223600000000, -0.0001461100000000, 0.0012001900000000 ] - [ -0.0003009500000000, 0.0004306900000000, 0.0004337800000000 ] - [ -0.0000845600000000, -0.0001351100000000, 0.0002341600000000 ] - [ 0.0001138900000000, 0.0000229700000000, 0.0003640300000000 ] - [ 0.0002644800000000, -0.0002447700000000, 0.0001589800000000 ] - [ 0.0002577900000000, -0.0002183800000000, 0.0001445900000000 ] - [ 0.0001710000000000, 0.0006538100000000, 0.0003297100000000 ] - [ 0.0002687600000000, 0.0006740800000000, 0.0003679500000000 ] - [ -0.0004586200000000, -0.0000286100000000, 0.0002471200000000 ] - [ -0.0003650000000000, 0.0001402500000000, -0.0004103800000000 ] - [ -0.0003415900000000, -0.0001736600000000, -0.0003929600000000 ] - [ -0.0003872700000000, -0.0001389600000000, -0.0001813600000000 ] - [ -0.0040925300000000, -0.0078621200000000, 0.0048328200000000 ] - [ 0.0009264600000000, 0.0009279600000000, 0.0000394500000000 ] - [ 0.0007147100000000, -0.0014084900000000, 0.0001136000000000 ] - [ -0.0000766300000000, -0.0003128700000000, -0.0000920800000000 ] - [ 0.0001054100000000, -0.0009104200000000, 0.0000375300000000 ] - [ -0.0001510000000000, -0.0007945400000000, 0.0000790300000000 ] - [ -0.0049937200000000, 0.0021108400000000, 0.0050018500000000 ] - [ 0.0028305700000000, 0.0004171900000000, 0.0006704000000000 ] - [ -0.0004346400000000, 0.0063514700000000, 0.0045598700000000 ] - [ -0.0000409100000000, 0.0011612700000000, -0.0001005100000000 ] - [ -0.0001015900000000, -0.0011133000000000, -0.0001572300000000 ] - [ -0.0000579800000000, -0.0007761200000000, 0.0000395900000000 ] - [ 0.0004384900000000, -0.0009464700000000, 0.0000144300000000 ] - [ 0.0001443300000000, -0.0008039800000000, 0.0000977400000000 ] - [ 0.0000189700000000, -0.0010686300000000, 0.0004883400000000 ] - [ 0.0002688300000000, -0.0006090300000000, -0.0001406500000000 ]- atom: 61 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0006995100000000, -0.0000196500000000, -0.0004498500000000 ] - [ 0.0003322300000000, 0.0001122700000000, -0.0001130800000000 ] - [ 0.0010341800000000, -0.0001513700000000, -0.0011779300000000 ] - [ 0.0000841400000000, -0.0002315500000000, -0.0001358300000000 ] - [ -0.0002931000000000, 0.0008623300000000, 0.0004994700000000 ] - [ 0.0002377800000000, -0.0002886900000000, -0.0000951300000000 ] - [ -0.0001818800000000, -0.0008138800000000, 0.0002501500000000 ] - [ 0.0001926200000000, -0.0000165900000000, -0.0001453500000000 ] - [ 0.0004827800000000, -0.0000134900000000, -0.0002789800000000 ] - [ 0.0004075700000000, 0.0002622500000000, -0.0004043800000000 ] - [ 0.0008905700000000, 0.0025892900000000, -0.0021611000000000 ] - [ 0.0004263400000000, -0.0001433500000000, -0.0001857900000000 ] - [ -0.0002753300000000, 0.0016625500000000, 0.0012902900000000 ] - [ 0.0006170000000000, -0.0003899200000000, -0.0005594000000000 ] - [ 0.0004415700000000, -0.0002078700000000, -0.0003788400000000 ] - [ 0.0005025800000000, 0.0000332200000000, -0.0002576800000000 ] - [ -0.0022965500000000, 0.0007806300000000, 0.0038714000000000 ] - [ -0.0002244900000000, -0.0001218800000000, 0.0002319100000000 ] - [ -0.0001413500000000, 0.0000777200000000, 0.0002811300000000 ] - [ -0.0001128200000000, 0.0000746800000000, 0.0002399900000000 ] - [ -0.0001480200000000, 0.0001241700000000, 0.0001662500000000 ] - [ -0.0001671000000000, 0.0000758300000000, 0.0002279500000000 ] - [ -0.0001695300000000, -0.0005515900000000, -0.0023384700000000 ] - [ 0.0000237700000000, -0.0000270900000000, 0.0002563100000000 ] - [ 0.0006734500000000, -0.0005782600000000, 0.0001634200000000 ] - [ 0.0006102800000000, -0.0005351600000000, 0.0001987100000000 ] - [ 0.0031880200000000, -0.0000017100000000, -0.0000241000000000 ] - [ -0.0008110600000000, -0.0008988200000000, 0.0025367700000000 ] - [ -0.0018892700000000, 0.0010416800000000, -0.0015487800000000 ] - [ 0.0016341900000000, 0.0004986500000000, -0.0008268300000000 ] - [ 0.0006060100000000, 0.0006651100000000, 0.0001491300000000 ] - [ 0.0006840400000000, 0.0006798400000000, 0.0001279100000000 ] - [ -0.0006638200000000, 0.0003061600000000, 0.0000375900000000 ] - [ -0.0005238800000000, 0.0003708500000000, -0.0000540100000000 ] - [ -0.0012302300000000, 0.0013539000000000, 0.0027511100000000 ] - [ -0.0001037400000000, -0.0000566000000000, 0.0005630700000000 ] - [ 0.0000544800000000, 0.0005840200000000, -0.0026521600000000 ] - [ -0.0010905800000000, -0.0004700200000000, -0.0010488800000000 ] - [ -0.0005336800000000, -0.0002022300000000, -0.0001576600000000 ] - [ -0.0006407500000000, -0.0001807200000000, -0.0000617600000000 ] - [ 0.0004153000000000, -0.0004747900000000, -0.0005086800000000 ] - [ -0.0001538300000000, 0.0001869500000000, -0.0000979400000000 ] - [ 0.0002443300000000, 0.0007556800000000, -0.0003780700000000 ] - [ -0.0000907900000000, 0.0000549300000000, -0.0001232200000000 ] - [ -0.0005234500000000, 0.0009099600000000, 0.0008958500000000 ] - [ -0.0007382900000000, -0.0004980300000000, 0.0005228000000000 ] - [ -0.0008026500000000, -0.0003874100000000, 0.0002583700000000 ] - [ -0.0007385500000000, 0.0000865700000000, 0.0003301900000000 ] - [ -0.0013010400000000, 0.0004789500000000, 0.0030954300000000 ] - [ 0.0008718200000000, -0.0001648500000000, -0.0001829400000000 ] - [ 0.0003219000000000, 0.0000130100000000, 0.0001493600000000 ] - [ 0.0006175100000000, 0.0001021700000000, -0.0001413700000000 ] - [ -0.0008929900000000, -0.0002178900000000, 0.0001398700000000 ] - [ -0.0009308700000000, 0.0003258200000000, 0.0000441600000000 ] - [ -0.0009674300000000, 0.0007951100000000, -0.0001951700000000 ] - [ -0.0007967000000000, -0.0000395800000000, -0.0000071800000000 ] - [ -0.0001947700000000, 0.0003168500000000, -0.0005249700000000 ] - [ -0.0005391800000000, -0.0001821200000000, -0.0002801800000000 ] - [ -0.0001859200000000, -0.0007167000000000, -0.0005198500000000 ] - [ -0.0005076500000000, -0.0000107100000000, -0.0002584300000000 ] - [ 0.0187328500000000, 0.0053753600000000, -0.0248155200000000 ] - [ -0.0003370700000000, 0.0000257100000000, 0.0001482500000000 ] - [ 0.0002705000000000, -0.0001446000000000, 0.0001399300000000 ] - [ 0.0001867100000000, -0.0001417500000000, 0.0002019600000000 ] - [ 0.0000310700000000, 0.0000722300000000, -0.0002779100000000 ] - [ -0.0000441100000000, 0.0000301300000000, -0.0002233900000000 ] - [ 0.0012507900000000, -0.0019909000000000, 0.0037726400000000 ] - [ -0.0002218100000000, 0.0003406400000000, 0.0004922100000000 ] - [ -0.0047470200000000, -0.0008760700000000, 0.0007971600000000 ] - [ -0.0004454800000000, 0.0003020700000000, -0.0020551700000000 ] - [ -0.0000408400000000, -0.0001141900000000, -0.0002322100000000 ] - [ 0.0000318000000000, -0.0001415100000000, -0.0002811600000000 ] - [ -0.0001541000000000, 0.0000341300000000, 0.0000882700000000 ] - [ -0.0000090500000000, 0.0002754200000000, 0.0000001000000000 ] - [ -0.0011889100000000, 0.0021025100000000, 0.0003413900000000 ] - [ -0.0001449400000000, 0.0000661600000000, -0.0003564000000000 ] - [ -0.0000693700000000, 0.0024927500000000, 0.0024162400000000 ] - [ -0.0000696700000000, -0.0004077400000000, 0.0004343400000000 ] - [ 0.0000045800000000, -0.0004285400000000, 0.0000153700000000 ] - [ -0.0001058000000000, -0.0002723100000000, 0.0000693800000000 ] - [ 0.0000698000000000, -0.0004967100000000, -0.0001069100000000 ] - [ -0.0000746000000000, -0.0003505100000000, -0.0000683600000000 ] - [ 0.0019652300000000, 0.0018829200000000, 0.0004106600000000 ] - [ -0.0003531700000000, -0.0002615100000000, 0.0001558100000000 ] - [ -0.0012033900000000, 0.0009672800000000, 0.0005358100000000 ] - [ 0.0010685400000000, 0.0006147900000000, -0.0006678100000000 ] - [ -0.0000736600000000, 0.0002015700000000, -0.0001024200000000 ] - [ 0.0000292900000000, 0.0002966100000000, -0.0001469700000000 ] - [ -0.0000953300000000, -0.0002255100000000, 0.0004230100000000 ] - [ 0.0001274200000000, -0.0002823500000000, 0.0001738800000000 ] - [ -0.0003485200000000, -0.0005537300000000, 0.0004752200000000 ] - [ 0.0004531600000000, -0.0004671600000000, 0.0001364300000000 ] - [ 0.0006998300000000, -0.0002218700000000, 0.0002665100000000 ] - [ -0.0003909600000000, 0.0001807300000000, 0.0006424100000000 ] - [ 0.0001351000000000, 0.0003257000000000, 0.0002788200000000 ] - [ -0.0000604100000000, 0.0002522700000000, 0.0004719700000000 ] - [ 0.0001904600000000, 0.0000543100000000, 0.0002239400000000 ] - [ 0.0002737900000000, 0.0000466500000000, 0.0001613700000000 ] - [ -0.0009111300000000, 0.0002480400000000, 0.0016423800000000 ] - [ 0.0008696400000000, 0.0002248200000000, 0.0002380200000000 ] - [ -0.0006470400000000, -0.0003727300000000, 0.0002069700000000 ] - [ -0.0001758600000000, 0.0002230300000000, -0.0002347100000000 ] - [ -0.0005061800000000, 0.0002236700000000, -0.0000584200000000 ] - [ -0.0002335500000000, 0.0000224300000000, -0.0002625200000000 ] - [ -0.0002557900000000, -0.0054854400000000, -0.0036700900000000 ] - [ -0.0000824800000000, 0.0005758000000000, 0.0000715300000000 ] - [ 0.0002078400000000, 0.0006809300000000, -0.0003088400000000 ] - [ 0.0000314300000000, 0.0001021500000000, -0.0000213800000000 ] - [ -0.0000624500000000, -0.0000114300000000, -0.0000365500000000 ] - [ -0.0000316800000000, -0.0001376300000000, 0.0000933600000000 ] - [ -0.0096905800000000, -0.0070245400000000, 0.0022933200000000 ] - [ -0.0002249000000000, 0.0003813500000000, -0.0006888300000000 ] - [ 0.0008194100000000, -0.0036260700000000, 0.0125237400000000 ] - [ -0.0006674300000000, 0.0000546900000000, 0.0008053900000000 ] - [ -0.0000101900000000, -0.0000841100000000, 0.0002142500000000 ] - [ -0.0000524400000000, -0.0001503500000000, 0.0000669500000000 ] - [ 0.0001057500000000, 0.0001626400000000, 0.0003157100000000 ] - [ 0.0003545300000000, -0.0004597200000000, 0.0000305600000000 ] - [ 0.0001282400000000, -0.0016551700000000, 0.0018271800000000 ] - [ 0.0002595000000000, -0.0000439800000000, 0.0000085600000000 ]- atom: 61 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0002766500000000, 0.0000143000000000, 0.0002231700000000 ] - [ 0.0006457400000000, -0.0001218400000000, -0.0001179500000000 ] - [ -0.0000536700000000, 0.0001404600000000, 0.0009501000000000 ] - [ 0.0009027800000000, 0.0002150300000000, -0.0001217500000000 ] - [ 0.0003512000000000, -0.0011600400000000, -0.0006953600000000 ] - [ -0.0001895200000000, 0.0000093400000000, -0.0001121800000000 ] - [ 0.0002497900000000, 0.0005038200000000, -0.0004409400000000 ] - [ -0.0001365600000000, -0.0002743900000000, -0.0000587500000000 ] - [ 0.0004192800000000, 0.0002642800000000, -0.0004099200000000 ] - [ 0.0004939500000000, -0.0000138700000000, -0.0002830000000000 ] - [ 0.0000112000000000, -0.0023628800000000, 0.0014888300000000 ] - [ 0.0004817800000000, 0.0003548200000000, -0.0004657400000000 ] - [ 0.0011440900000000, -0.0019679000000000, -0.0018447300000000 ] - [ 0.0002794900000000, 0.0001195300000000, -0.0001474100000000 ] - [ 0.0004686400000000, -0.0000128200000000, -0.0002828600000000 ] - [ 0.0004069200000000, -0.0002574400000000, -0.0004066400000000 ] - [ 0.0023704500000000, -0.0007791400000000, -0.0037560300000000 ] - [ -0.0000634400000000, 0.0001202400000000, 0.0002268000000000 ] - [ -0.0001483000000000, -0.0000971100000000, 0.0001691400000000 ] - [ -0.0001781600000000, -0.0000981300000000, 0.0002098900000000 ] - [ -0.0001326000000000, -0.0001170700000000, 0.0002921400000000 ] - [ -0.0001089200000000, -0.0000773400000000, 0.0002352100000000 ] - [ -0.0001684400000000, 0.0005739100000000, 0.0029287400000000 ] - [ -0.0003207400000000, 0.0000635900000000, 0.0001903200000000 ] - [ 0.0006185100000000, -0.0006501200000000, 0.0001467300000000 ] - [ 0.0006870600000000, -0.0006947100000000, 0.0001126000000000 ] - [ -0.0019131500000000, -0.0012291200000000, 0.0003362300000000 ] - [ 0.0020684300000000, -0.0003231500000000, -0.0022256500000000 ] - [ 0.0031483900000000, 0.0001886100000000, 0.0018624400000000 ] - [ -0.0003185200000000, 0.0007324600000000, 0.0011385000000000 ] - [ 0.0006710000000000, 0.0005619300000000, 0.0001633700000000 ] - [ 0.0005882700000000, 0.0005476200000000, 0.0001856000000000 ] - [ -0.0005135600000000, 0.0002251400000000, -0.0001533900000000 ] - [ -0.0006552500000000, 0.0001628000000000, -0.0000562900000000 ] - [ 0.0000905300000000, -0.0008183400000000, -0.0028966700000000 ] - [ -0.0010708700000000, 0.0005803800000000, -0.0006890600000000 ] - [ -0.0012268000000000, -0.0011063500000000, 0.0025107500000000 ] - [ -0.0000854000000000, -0.0000664300000000, 0.0009535200000000 ] - [ -0.0006392800000000, -0.0003252100000000, 0.0000308200000000 ] - [ -0.0005267600000000, -0.0003412600000000, -0.0000810500000000 ] - [ -0.0003641800000000, 0.0007685800000000, 0.0003033800000000 ] - [ 0.0002075800000000, 0.0001019800000000, -0.0001073500000000 ] - [ -0.0001899900000000, -0.0004715800000000, 0.0001729200000000 ] - [ 0.0001577400000000, 0.0002592400000000, -0.0000753600000000 ] - [ -0.0011818800000000, -0.0011922200000000, -0.0004788300000000 ] - [ -0.0009376600000000, 0.0002162300000000, -0.0001118800000000 ] - [ -0.0009102200000000, 0.0001013100000000, 0.0001537900000000 ] - [ -0.0009571400000000, -0.0003720200000000, 0.0000805000000000 ] - [ 0.0022772300000000, -0.0004874600000000, -0.0033176300000000 ] - [ 0.0001015700000000, 0.0001714300000000, -0.0000413300000000 ] - [ 0.0006640400000000, 0.0000033000000000, -0.0003974900000000 ] - [ 0.0003595800000000, -0.0000956800000000, -0.0000859100000000 ] - [ -0.0007931900000000, 0.0005058600000000, 0.0002697500000000 ] - [ -0.0007597200000000, -0.0000420500000000, 0.0003667100000000 ] - [ -0.0007248400000000, -0.0005145000000000, 0.0006065400000000 ] - [ -0.0009292500000000, 0.0003285000000000, 0.0004154000000000 ] - [ -0.0005317700000000, -0.0005156200000000, 0.0000165000000000 ] - [ -0.0001839800000000, -0.0000163300000000, -0.0002304700000000 ] - [ -0.0005400400000000, 0.0005171600000000, 0.0000112700000000 ] - [ -0.0002147200000000, -0.0001890300000000, -0.0002519000000000 ] - [ -0.0186119300000000, -0.0055253800000000, 0.0251980400000000 ] - [ 0.0007982000000000, -0.0002148300000000, 0.0002139300000000 ] - [ 0.0001887000000000, -0.0000446200000000, 0.0002238200000000 ] - [ 0.0002733000000000, -0.0000478600000000, 0.0001627600000000 ] - [ -0.0000417900000000, 0.0000963200000000, -0.0002294600000000 ] - [ 0.0000339900000000, 0.0001389400000000, -0.0002848600000000 ] - [ -0.0012823600000000, 0.0021811000000000, -0.0043056500000000 ] - [ 0.0002143200000000, -0.0001715100000000, -0.0009988700000000 ] - [ 0.0046913000000000, 0.0006969300000000, -0.0013042400000000 ] - [ 0.0004228000000000, -0.0004694900000000, 0.0015494800000000 ] - [ 0.0000310500000000, -0.0000549600000000, -0.0002754200000000 ] - [ -0.0000418900000000, -0.0000275300000000, -0.0002265000000000 ] - [ 0.0000264900000000, 0.0004900300000000, -0.0000089900000000 ] - [ -0.0001194500000000, 0.0002483900000000, 0.0000785800000000 ] - [ 0.0010579100000000, -0.0015686700000000, -0.0002659200000000 ] - [ 0.0000166400000000, 0.0004574700000000, 0.0004368800000000 ] - [ -0.0000640500000000, -0.0030424300000000, -0.0023530000000000 ] - [ -0.0000561900000000, -0.0001162500000000, -0.0003550700000000 ] - [ -0.0001332100000000, -0.0000951500000000, 0.0000642100000000 ] - [ -0.0000214300000000, -0.0002514700000000, 0.0000091300000000 ] - [ -0.0000987100000000, -0.0001585200000000, -0.0001171600000000 ] - [ 0.0000471200000000, -0.0003057500000000, -0.0001558300000000 ] - [ -0.0019849100000000, -0.0025338100000000, -0.0006423500000000 ] - [ 0.0003247300000000, -0.0003929500000000, -0.0003809300000000 ] - [ 0.0011813600000000, -0.0003148800000000, -0.0007625100000000 ] - [ -0.0010860300000000, 0.0000508200000000, 0.0004576100000000 ] - [ 0.0000462300000000, 0.0004541400000000, -0.0001220100000000 ] - [ -0.0000578700000000, 0.0003574000000000, -0.0000773000000000 ] - [ 0.0001405700000000, -0.0003367700000000, 0.0002767800000000 ] - [ -0.0000820700000000, -0.0002779700000000, 0.0005264300000000 ] - [ 0.0003947700000000, -0.0000071900000000, 0.0002242000000000 ] - [ -0.0004095700000000, -0.0000995800000000, 0.0005659200000000 ] - [ -0.0006560400000000, 0.0007836900000000, 0.0004313800000000 ] - [ 0.0004360700000000, 0.0003784100000000, 0.0000563600000000 ] - [ -0.0000902500000000, 0.0002361200000000, 0.0004201800000000 ] - [ 0.0001053600000000, 0.0003100500000000, 0.0002267300000000 ] - [ 0.0002700400000000, 0.0001348200000000, 0.0001401300000000 ] - [ 0.0001860200000000, 0.0001423700000000, 0.0002023500000000 ] - [ 0.0013722500000000, -0.0000582800000000, -0.0012780600000000 ] - [ -0.0004102300000000, -0.0000347400000000, 0.0001303300000000 ] - [ -0.0000761300000000, 0.0005699800000000, -0.0007179700000000 ] - [ -0.0005494400000000, -0.0000253800000000, -0.0002747100000000 ] - [ -0.0002165900000000, -0.0000248200000000, -0.0004515800000000 ] - [ -0.0004910100000000, 0.0001765200000000, -0.0002470100000000 ] - [ 0.0006572400000000, 0.0060870100000000, 0.0036065900000000 ] - [ 0.0005082700000000, 0.0000245800000000, -0.0001077000000000 ] - [ 0.0001917700000000, -0.0000793500000000, 0.0002759400000000 ] - [ 0.0003670600000000, 0.0004991700000000, -0.0000124500000000 ] - [ -0.0000429500000000, 0.0000274300000000, 0.0002381200000000 ] - [ -0.0000413400000000, 0.0001624800000000, 0.0000966300000000 ] - [ 0.0097320000000000, 0.0071158000000000, -0.0021355000000000 ] - [ 0.0001686600000000, -0.0003633000000000, 0.0008681100000000 ] - [ -0.0008846900000000, 0.0035517600000000, -0.0121756800000000 ] - [ 0.0005615000000000, -0.0000670400000000, -0.0006052900000000 ] - [ -0.0000664100000000, 0.0000630700000000, -0.0000234800000000 ] - [ -0.0000295500000000, 0.0001328500000000, 0.0001292200000000 ] - [ 0.0002934200000000, -0.0007650300000000, -0.0003597700000000 ] - [ 0.0000412400000000, -0.0001483200000000, -0.0000578800000000 ] - [ 0.0002542400000000, 0.0010522700000000, -0.0018584400000000 ] - [ 0.0001380500000000, -0.0005568100000000, -0.0000464000000000 ]- atom: 65 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ -0.0000729500000000, -0.0016799000000000, 0.0014244100000000 ] - [ -0.0003499100000000, 0.0008657900000000, -0.0008620900000000 ] - [ 0.0005112800000000, 0.0000598000000000, 0.0000097500000000 ] - [ 0.0004268700000000, -0.0001514300000000, -0.0002144200000000 ] - [ 0.0002105800000000, -0.0001354900000000, -0.0000769800000000 ] - [ 0.0000066000000000, -0.0000803100000000, -0.0000594900000000 ] - [ 0.0000736000000000, -0.0001977000000000, -0.0000479500000000 ] - [ 0.0000279600000000, -0.0002782900000000, -0.0001652900000000 ] - [ 0.0006735500000000, -0.0016142100000000, -0.0004141000000000 ] - [ -0.0016356000000000, 0.0016216300000000, -0.0007361800000000 ] - [ 0.0004687700000000, 0.0001862900000000, -0.0003787800000000 ] - [ 0.0004487800000000, -0.0000529700000000, -0.0002577400000000 ] - [ 0.0004232400000000, -0.0001436800000000, -0.0002774600000000 ] - [ 0.0004722100000000, -0.0001883800000000, -0.0004085100000000 ] - [ 0.0004321300000000, 0.0000208700000000, -0.0001497800000000 ] - [ 0.0006911200000000, -0.0007075600000000, -0.0012000300000000 ] - [ -0.0001331000000000, -0.0001398900000000, 0.0001614400000000 ] - [ -0.0001772900000000, -0.0000037400000000, 0.0002588900000000 ] - [ 0.0035530000000000, -0.0007645400000000, 0.0009275300000000 ] - [ -0.0019782200000000, -0.0006253300000000, 0.0004229200000000 ] - [ -0.0006962000000000, 0.0001817000000000, 0.0009033800000000 ] - [ 0.0006646600000000, -0.0005614800000000, -0.0021122500000000 ] - [ -0.0001707500000000, -0.0000269400000000, 0.0002611400000000 ] - [ -0.0000969400000000, -0.0000580500000000, 0.0002235200000000 ] - [ -0.0017143600000000, -0.0004583400000000, -0.0006341800000000 ] - [ 0.0048899600000000, -0.0002996700000000, -0.0014269700000000 ] - [ 0.0005813000000000, -0.0006717900000000, 0.0001323100000000 ] - [ 0.0007059300000000, -0.0006332200000000, 0.0001729700000000 ] - [ 0.0005760000000000, 0.0006243000000000, 0.0001413300000000 ] - [ 0.0007157200000000, 0.0005014000000000, 0.0001890100000000 ] - [ -0.0003193100000000, 0.0003921400000000, -0.0003149000000000 ] - [ 0.0029120200000000, 0.0019450100000000, 0.0019134700000000 ] - [ -0.0008460400000000, -0.0002548500000000, -0.0026311300000000 ] - [ -0.0018280100000000, 0.0006620900000000, 0.0014937500000000 ] - [ -0.0005779900000000, 0.0002223900000000, -0.0001495000000000 ] - [ -0.0006016800000000, 0.0002288500000000, 0.0000097000000000 ] - [ -0.0007548900000000, -0.0003700700000000, -0.0000003400000000 ] - [ -0.0004246700000000, -0.0002732500000000, -0.0000735500000000 ] - [ -0.0014890200000000, 0.0000263200000000, 0.0003032900000000 ] - [ 0.0021186300000000, -0.0011805400000000, -0.0014083700000000 ] - [ -0.0001541100000000, -0.0013798300000000, -0.0000635600000000 ] - [ -0.0002144300000000, 0.0009202000000000, -0.0002206200000000 ] - [ 0.0000715000000000, 0.0006029900000000, 0.0000148200000000 ] - [ -0.0002695600000000, -0.0004174700000000, -0.0002413100000000 ] - [ -0.0007871800000000, -0.0000122800000000, 0.0005739000000000 ] - [ -0.0009986900000000, -0.0002545800000000, -0.0000758400000000 ] - [ -0.0007448400000000, -0.0002619200000000, 0.0003815300000000 ] - [ -0.0010571300000000, -0.0000735800000000, 0.0000030800000000 ] - [ 0.0008439900000000, 0.0001373700000000, -0.0000121800000000 ] - [ 0.0002588300000000, -0.0000420000000000, -0.0001329300000000 ] - [ 0.0010776600000000, -0.0001331600000000, 0.0000358400000000 ] - [ 0.0001749300000000, 0.0000087400000000, -0.0003716900000000 ] - [ 0.0024840700000000, -0.0008618200000000, 0.0004922900000000 ] - [ -0.0020550000000000, 0.0004583300000000, 0.0001477600000000 ] - [ -0.0005741000000000, 0.0002004100000000, 0.0002882900000000 ] - [ -0.0010405200000000, 0.0000519400000000, 0.0001757900000000 ] - [ -0.0006737400000000, 0.0006004400000000, 0.0003527800000000 ] - [ -0.0000584100000000, -0.0004222500000000, -0.0005492000000000 ] - [ -0.0004215800000000, -0.0002078900000000, -0.0001613800000000 ] - [ -0.0003069000000000, -0.0000079600000000, -0.0003187900000000 ] - [ 0.0001896500000000, -0.0000794900000000, 0.0002001700000000 ] - [ 0.0002688300000000, -0.0000662800000000, 0.0001637000000000 ] - [ -0.0018245700000000, -0.0001036100000000, 0.0003189700000000 ] - [ 0.0006802800000000, -0.0001001500000000, 0.0002286100000000 ] - [ -0.0261598600000000, -0.0008825900000000, -0.0002800400000000 ] - [ 0.0010779600000000, 0.0001099900000000, -0.0002553500000000 ] - [ -0.0000608900000000, 0.0001198300000000, -0.0002445900000000 ] - [ 0.0000547300000000, 0.0001164300000000, -0.0002576100000000 ] - [ 0.0000137300000000, -0.0000605500000000, -0.0003111100000000 ] - [ -0.0000201900000000, -0.0000561600000000, -0.0002066300000000 ] - [ 0.0000961300000000, 0.0000571100000000, -0.0010476600000000 ] - [ 0.0003872000000000, -0.0002161500000000, 0.0005589100000000 ] - [ 0.0000259000000000, 0.0000320500000000, -0.0009116300000000 ] - [ 0.0002064000000000, 0.0001340000000000, 0.0008639800000000 ] - [ -0.0000593700000000, 0.0002925700000000, -0.0000026000000000 ] - [ -0.0000577000000000, 0.0003070100000000, 0.0000903500000000 ] - [ -0.0002868700000000, -0.0000095300000000, 0.0001098600000000 ] - [ 0.0001121000000000, -0.0003759700000000, 0.0000179200000000 ] - [ -0.0014048200000000, -0.0019516300000000, -0.0000697700000000 ] - [ 0.0003936700000000, -0.0000529200000000, 0.0001258800000000 ] - [ 0.0000716000000000, -0.0002727400000000, 0.0003343900000000 ] - [ -0.0008859900000000, -0.0002892500000000, -0.0012658900000000 ] - [ -0.0000010400000000, -0.0002945000000000, -0.0000838200000000 ] - [ -0.0000320800000000, -0.0002872400000000, -0.0001452100000000 ] - [ 0.0001275800000000, 0.0005446900000000, -0.0000450200000000 ] - [ -0.0001108800000000, 0.0001491300000000, -0.0001326000000000 ] - [ 0.0006996200000000, -0.0003892200000000, 0.0000006300000000 ] - [ 0.0006565500000000, 0.0025222500000000, -0.0007687200000000 ] - [ 0.0008589000000000, 0.0001145000000000, 0.0004766800000000 ] - [ -0.0002268300000000, -0.0036382900000000, -0.0010152500000000 ] - [ 0.0001213200000000, -0.0003256500000000, 0.0003744100000000 ] - [ -0.0000795900000000, -0.0001484300000000, 0.0003181700000000 ] - [ 0.0000988500000000, 0.0001979200000000, 0.0005521400000000 ] - [ -0.0000938900000000, 0.0004920600000000, 0.0000643800000000 ] - [ 0.0001001800000000, 0.0003068500000000, 0.0004578800000000 ] - [ -0.0000948600000000, 0.0002223300000000, 0.0002467900000000 ] - [ 0.0046874200000000, -0.0010301800000000, -0.0025285400000000 ] - [ 0.0044376300000000, 0.0010507800000000, 0.0025061100000000 ] - [ 0.0002493800000000, 0.0001481400000000, 0.0001543600000000 ] - [ 0.0002057100000000, 0.0001133800000000, 0.0002115600000000 ] - [ 0.0000750500000000, 0.0002933100000000, -0.0004096600000000 ] - [ -0.0007300500000000, -0.0004518000000000, 0.0000142700000000 ] - [ -0.0002669500000000, 0.0000060700000000, -0.0003345500000000 ] - [ -0.0004118800000000, 0.0004300800000000, -0.0001642600000000 ] - [ 0.0000319300000000, 0.0002493800000000, -0.0002306500000000 ] - [ 0.0003920400000000, 0.0003255700000000, 0.0000691400000000 ] - [ 0.0000153900000000, 0.0003073700000000, -0.0002377800000000 ] - [ 0.0005156500000000, 0.0006504700000000, 0.0003902500000000 ] - [ 0.0079358600000000, -0.0001036100000000, 0.0075325100000000 ] - [ 0.0052940400000000, -0.0002950200000000, -0.0022162100000000 ] - [ 0.0000104300000000, 0.0000905100000000, 0.0001991900000000 ] - [ -0.0000864900000000, 0.0000807500000000, -0.0000078600000000 ] - [ 0.0000626400000000, 0.0000470800000000, 0.0000029900000000 ] - [ -0.0001639000000000, 0.0000682600000000, 0.0001276300000000 ] - [ 0.0009081600000000, -0.0002256800000000, -0.0003648300000000 ] - [ -0.0046463200000000, 0.0014356800000000, 0.0035437800000000 ] - [ 0.0012701800000000, 0.0084391500000000, -0.0026600100000000 ] - [ 0.0016967100000000, -0.0021391200000000, 0.0007552300000000 ] - [ -0.0000348900000000, -0.0005905500000000, -0.0001563200000000 ] - [ 0.0004387600000000, 0.0000889600000000, 0.0000759300000000 ]- atom: 65 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0010620900000000, 0.0016572000000000, -0.0016439600000000 ] - [ 0.0013317000000000, -0.0008801500000000, 0.0006450600000000 ] - [ 0.0004734900000000, -0.0000694000000000, -0.0002380800000000 ] - [ 0.0005496800000000, 0.0001470300000000, -0.0000013600000000 ] - [ -0.0001598400000000, -0.0001500900000000, -0.0001291300000000 ] - [ 0.0000499600000000, -0.0002144100000000, -0.0001455900000000 ] - [ -0.0000126300000000, -0.0001039800000000, -0.0001524100000000 ] - [ 0.0000286700000000, -0.0000172100000000, -0.0000392900000000 ] - [ 0.0003821900000000, 0.0019071600000000, -0.0002118300000000 ] - [ 0.0025502300000000, -0.0013761500000000, 0.0000378700000000 ] - [ 0.0004367800000000, 0.0000510500000000, -0.0002983800000000 ] - [ 0.0004534900000000, 0.0003032300000000, -0.0004302600000000 ] - [ 0.0004746600000000, -0.0001207100000000, -0.0004226000000000 ] - [ 0.0004300700000000, -0.0000560100000000, -0.0002755400000000 ] - [ 0.0004779000000000, -0.0002427900000000, -0.0005131900000000 ] - [ 0.0002122000000000, 0.0004640700000000, 0.0005144100000000 ] - [ -0.0001391000000000, 0.0001431500000000, 0.0003036100000000 ] - [ -0.0001105700000000, -0.0000167400000000, 0.0001930600000000 ] - [ -0.0036423900000000, 0.0006489400000000, -0.0003340800000000 ] - [ 0.0017005200000000, 0.0006181600000000, 0.0000269900000000 ] - [ 0.0004161900000000, -0.0001769600000000, -0.0004350200000000 ] - [ -0.0009585300000000, 0.0005602800000000, 0.0025647100000000 ] - [ -0.0001243500000000, 0.0000561500000000, 0.0001878400000000 ] - [ -0.0001918900000000, 0.0000770100000000, 0.0002292200000000 ] - [ 0.0029788300000000, -0.0007633500000000, 0.0009388200000000 ] - [ -0.0038332200000000, -0.0009463000000000, 0.0019642300000000 ] - [ 0.0006765400000000, -0.0005503900000000, 0.0001799300000000 ] - [ 0.0005748500000000, -0.0005908500000000, 0.0001378900000000 ] - [ 0.0007136700000000, 0.0005985300000000, 0.0001687000000000 ] - [ 0.0005654200000000, 0.0007218200000000, 0.0001221100000000 ] - [ 0.0015845000000000, 0.0008346200000000, 0.0006320200000000 ] - [ -0.0016273900000000, -0.0007333800000000, -0.0016134600000000 ] - [ -0.0003301500000000, 0.0007792500000000, 0.0024910800000000 ] - [ 0.0006444600000000, -0.0001317000000000, -0.0016264800000000 ] - [ -0.0005935300000000, 0.0002988100000000, 0.0000056600000000 ] - [ -0.0005779000000000, 0.0003013900000000, -0.0001303800000000 ] - [ -0.0004300000000000, -0.0001663100000000, -0.0001089400000000 ] - [ -0.0007556000000000, -0.0002564500000000, -0.0000468800000000 ] - [ 0.0003144900000000, -0.0005440900000000, -0.0004405300000000 ] - [ -0.0033193200000000, 0.0006110400000000, 0.0012531100000000 ] - [ 0.0002143400000000, 0.0016655100000000, -0.0001407700000000 ] - [ 0.0002623300000000, -0.0006437900000000, 0.0000128200000000 ] - [ -0.0000150800000000, -0.0003126900000000, -0.0002200800000000 ] - [ 0.0003150700000000, 0.0006980500000000, 0.0000316000000000 ] - [ -0.0008824400000000, -0.0002670500000000, -0.0001620500000000 ] - [ -0.0006912900000000, -0.0000252100000000, 0.0004876400000000 ] - [ -0.0009505200000000, -0.0000189300000000, 0.0000300100000000 ] - [ -0.0006329800000000, -0.0002069000000000, 0.0004074700000000 ] - [ 0.0001336800000000, -0.0001327200000000, -0.0002060000000000 ] - [ 0.0007256600000000, 0.0000536200000000, -0.0001063400000000 ] - [ -0.0000926200000000, 0.0001459500000000, -0.0002726100000000 ] - [ 0.0008082500000000, 0.0000016700000000, 0.0001378500000000 ] - [ -0.0041394600000000, 0.0011578900000000, -0.0000760500000000 ] - [ 0.0003802500000000, -0.0001839800000000, 0.0002645000000000 ] - [ -0.0011102300000000, 0.0000783900000000, 0.0001237300000000 ] - [ -0.0006324300000000, 0.0002276000000000, 0.0002348800000000 ] - [ -0.0000521500000000, -0.0007986700000000, -0.0008641600000000 ] - [ -0.0006655100000000, 0.0002239900000000, 0.0000404800000000 ] - [ -0.0003007500000000, 0.0000080700000000, -0.0003494300000000 ] - [ -0.0004166900000000, -0.0001913800000000, -0.0001906200000000 ] - [ 0.0002697400000000, -0.0001105000000000, 0.0001634700000000 ] - [ 0.0001896500000000, -0.0001232900000000, 0.0002009500000000 ] - [ 0.0022817100000000, -0.0000800200000000, 0.0000292700000000 ] - [ -0.0002218500000000, -0.0000907000000000, 0.0001398300000000 ] - [ 0.0259317600000000, 0.0011236600000000, -0.0006782400000000 ] - [ -0.0010886500000000, 0.0000594000000000, -0.0002517000000000 ] - [ 0.0000517200000000, 0.0000494100000000, -0.0002631000000000 ] - [ -0.0000655100000000, 0.0000541800000000, -0.0002488500000000 ] - [ -0.0000245700000000, -0.0001096800000000, -0.0001964600000000 ] - [ 0.0000104100000000, -0.0001137100000000, -0.0003002200000000 ] - [ -0.0001083400000000, -0.0002275700000000, 0.0005413700000000 ] - [ -0.0003947800000000, 0.0000446900000000, -0.0010664600000000 ] - [ -0.0001563900000000, 0.0004916100000000, 0.0009911200000000 ] - [ -0.0003325900000000, 0.0003885200000000, -0.0007834400000000 ] - [ -0.0000701900000000, 0.0002298300000000, 0.0000833900000000 ] - [ -0.0000712100000000, 0.0002158000000000, -0.0000092300000000 ] - [ 0.0001561700000000, -0.0005162900000000, -0.0000304300000000 ] - [ -0.0002426000000000, -0.0001476400000000, 0.0000629400000000 ] - [ 0.0012616600000000, 0.0014377300000000, 0.0001456100000000 ] - [ -0.0005236500000000, -0.0004730700000000, -0.0000447200000000 ] - [ -0.0000997000000000, -0.0003824400000000, -0.0005606900000000 ] - [ 0.0008495900000000, -0.0003725000000000, 0.0010573400000000 ] - [ -0.0000252600000000, -0.0003604900000000, -0.0001413600000000 ] - [ 0.0000041500000000, -0.0003681200000000, -0.0000798500000000 ] - [ -0.0001546600000000, 0.0001111200000000, -0.0001808100000000 ] - [ 0.0000862400000000, 0.0005061400000000, -0.0000931400000000 ] - [ -0.0007231700000000, 0.0010403300000000, -0.0002232400000000 ] - [ -0.0006824200000000, -0.0018816300000000, 0.0005459400000000 ] - [ -0.0008140700000000, -0.0006754400000000, 0.0002239100000000 ] - [ 0.0002905900000000, 0.0030839500000000, 0.0017160300000000 ] - [ -0.0000761900000000, -0.0002383000000000, 0.0003254800000000 ] - [ 0.0001237100000000, -0.0004141800000000, 0.0003804600000000 ] - [ -0.0000539000000000, 0.0003654300000000, 0.0001467600000000 ] - [ 0.0001374800000000, 0.0000697800000000, 0.0006359600000000 ] - [ -0.0000536700000000, 0.0002541200000000, 0.0002411100000000 ] - [ 0.0001376800000000, 0.0003413700000000, 0.0004532300000000 ] - [ -0.0041813600000000, 0.0012058200000000, 0.0028565900000000 ] - [ -0.0040185200000000, -0.0008743700000000, -0.0021739000000000 ] - [ 0.0002084100000000, 0.0000412200000000, 0.0002099900000000 ] - [ 0.0002536900000000, 0.0000759500000000, 0.0001524700000000 ] - [ -0.0007987900000000, -0.0000935700000000, -0.0001010300000000 ] - [ 0.0000117000000000, 0.0006486500000000, -0.0005236300000000 ] - [ -0.0004560500000000, 0.0001913900000000, -0.0001757000000000 ] - [ -0.0003104700000000, -0.0002298800000000, -0.0003463100000000 ] - [ 0.0003649900000000, 0.0003604200000000, 0.0002020700000000 ] - [ 0.0000237700000000, 0.0002821900000000, -0.0000930400000000 ] - [ 0.0003911600000000, 0.0002955300000000, 0.0002077100000000 ] - [ -0.0001234700000000, -0.0000363900000000, -0.0004078200000000 ] - [ -0.0079651900000000, 0.0001144200000000, -0.0072494800000000 ] - [ -0.0053847000000000, 0.0003114800000000, 0.0024572800000000 ] - [ -0.0000869200000000, -0.0000734600000000, -0.0000063200000000 ] - [ -0.0000060700000000, -0.0000568100000000, 0.0001957700000000 ] - [ -0.0001479400000000, -0.0000672500000000, 0.0001902400000000 ] - [ 0.0000925500000000, -0.0000872400000000, 0.0000715500000000 ] - [ -0.0009744000000000, 0.0002091400000000, 0.0005607800000000 ] - [ 0.0045828900000000, -0.0014333200000000, -0.0033159600000000 ] - [ -0.0008844700000000, -0.0089585500000000, 0.0025952500000000 ] - [ -0.0013025900000000, 0.0015512500000000, -0.0007963400000000 ] - [ 0.0004340000000000, -0.0000141800000000, 0.0001270700000000 ] - [ -0.0000546800000000, -0.0006948200000000, -0.0001112400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014773900000000, 0.0003710900000000, 0.0013881300000000 ] - [ 0.0011037700000000, 0.0005126600000000, 0.0001591700000000 ] - [ 0.0006286300000000, -0.0005566800000000, -0.0002925500000000 ] - [ 0.0003898900000000, -0.0004964800000000, -0.0001921800000000 ] - [ 0.0000072200000000, -0.0000961000000000, -0.0004897700000000 ] - [ 0.0002091100000000, -0.0001197000000000, 0.0003587800000000 ] - [ 0.0001288100000000, -0.0006724400000000, 0.0002835600000000 ] - [ 0.0000713400000000, -0.0007071600000000, -0.0002136900000000 ] - [ -0.0017068500000000, 0.0040142200000000, -0.0024185800000000 ] - [ 0.0008411400000000, 0.0014999800000000, -0.0010909900000000 ] - [ 0.0006590300000000, -0.0008910800000000, 0.0001855100000000 ] - [ 0.0005353700000000, -0.0006647600000000, 0.0000293900000000 ] - [ 0.0003032200000000, -0.0007957700000000, -0.0007823200000000 ] - [ 0.0004158000000000, -0.0006823900000000, -0.0003675400000000 ] - [ 0.0005225000000000, 0.0002074800000000, 0.0002048500000000 ] - [ 0.0000388800000000, -0.0010215600000000, -0.0020455300000000 ] - [ -0.0003437000000000, -0.0008343000000000, 0.0000649600000000 ] - [ -0.0002078300000000, -0.0005914600000000, 0.0001369100000000 ] - [ -0.0006849600000000, 0.0051265000000000, -0.0003911000000000 ] - [ -0.0002623200000000, 0.0010353100000000, 0.0004934400000000 ] - [ -0.0002430500000000, 0.0008534400000000, 0.0002552400000000 ] - [ -0.0007530100000000, 0.0025584300000000, -0.0010979100000000 ] - [ -0.0000412100000000, -0.0006052500000000, 0.0003131300000000 ] - [ -0.0000002100000000, -0.0006641600000000, 0.0003949200000000 ] - [ 0.0007856300000000, 0.0009551200000000, -0.0000638400000000 ] - [ 0.0007106300000000, 0.0025572800000000, 0.0000617600000000 ] - [ 0.0006898800000000, -0.0011055600000000, 0.0001651800000000 ] - [ 0.0007118000000000, -0.0011163600000000, 0.0001725100000000 ] - [ 0.0005536600000000, 0.0002142000000000, 0.0001498200000000 ] - [ 0.0006011800000000, 0.0000609400000000, 0.0002354200000000 ] - [ 0.0004925300000000, 0.0009953100000000, 0.0001702400000000 ] - [ 0.0017764200000000, 0.0012534900000000, -0.0026369800000000 ] - [ -0.0008241800000000, 0.0022143600000000, -0.0002304900000000 ] - [ -0.0007430700000000, 0.0010972000000000, 0.0001676000000000 ] - [ -0.0005806800000000, -0.0002567400000000, -0.0001159400000000 ] - [ -0.0005726500000000, -0.0001913500000000, -0.0001127000000000 ] - [ -0.0006770700000000, -0.0007276800000000, -0.0000164400000000 ] - [ -0.0005048400000000, -0.0009865100000000, 0.0001349600000000 ] - [ -0.0004568500000000, 0.0000450400000000, -0.0000829100000000 ] - [ -0.0009456500000000, 0.0012948500000000, -0.0018145400000000 ] - [ -0.0016349100000000, -0.0009116800000000, -0.0005838200000000 ] - [ 0.0008964700000000, 0.0000697100000000, 0.0000983700000000 ] - [ 0.0005453200000000, -0.0007887000000000, -0.0002154700000000 ] - [ -0.0004495300000000, -0.0005640500000000, -0.0001952600000000 ] - [ -0.0008177000000000, -0.0003387000000000, 0.0000822000000000 ] - [ -0.0009743600000000, -0.0002721600000000, 0.0001139800000000 ] - [ -0.0009794700000000, -0.0004017000000000, 0.0004048700000000 ] - [ -0.0009914800000000, -0.0004250400000000, 0.0001268200000000 ] - [ 0.0005493000000000, -0.0006951500000000, -0.0007439000000000 ] - [ 0.0004068200000000, -0.0002559500000000, -0.0000575100000000 ] - [ 0.0001625000000000, -0.0008583600000000, 0.0011601800000000 ] - [ 0.0005793700000000, -0.0000922700000000, -0.0004259500000000 ] - [ -0.0024018600000000, 0.0003157400000000, 0.0007513100000000 ] - [ -0.0008142500000000, 0.0004400400000000, 0.0001506000000000 ] - [ -0.0006489600000000, -0.0007929800000000, 0.0001554400000000 ] - [ -0.0009030000000000, -0.0001791200000000, 0.0002069200000000 ] - [ 0.0001918700000000, 0.0003292300000000, 0.0007278100000000 ] - [ -0.0005139400000000, -0.0002489100000000, -0.0002404600000000 ] - [ -0.0004852600000000, 0.0003175700000000, -0.0003934100000000 ] - [ -0.0003455000000000, 0.0001599100000000, -0.0002099400000000 ] - [ 0.0002640800000000, 0.0002913100000000, 0.0001917600000000 ] - [ 0.0002598800000000, 0.0002047800000000, 0.0001372400000000 ] - [ 0.0001929300000000, -0.0008911900000000, -0.0023651700000000 ] - [ 0.0002076900000000, -0.0005019500000000, 0.0004774400000000 ] - [ -0.0010677900000000, -0.0224289600000000, -0.0002162100000000 ] - [ 0.0000212300000000, -0.0004341700000000, -0.0002765500000000 ] - [ 0.0000305300000000, 0.0005564100000000, -0.0002371800000000 ] - [ 0.0000266500000000, 0.0004124500000000, -0.0002317900000000 ] - [ -0.0000296000000000, 0.0002708700000000, -0.0002905900000000 ] - [ -0.0000332200000000, 0.0002192200000000, -0.0002734000000000 ] - [ -0.0001461600000000, -0.0004447000000000, -0.0001311400000000 ] - [ 0.0001255000000000, -0.0004095200000000, -0.0001569800000000 ] - [ 0.0000101000000000, -0.0003681100000000, -0.0000961000000000 ] - [ -0.0001135300000000, -0.0003445800000000, -0.0001281200000000 ] - [ -0.0000678700000000, 0.0006503600000000, 0.0000412900000000 ] - [ -0.0000452300000000, 0.0006549400000000, 0.0000538100000000 ] - [ -0.0000151400000000, 0.0007333100000000, 0.0001915600000000 ] - [ -0.0000648700000000, -0.0000178300000000, 0.0000511700000000 ] - [ -0.0019008300000000, 0.0049050500000000, -0.0006943000000000 ] - [ 0.0000558900000000, -0.0003311700000000, 0.0000578400000000 ] - [ 0.0000009600000000, -0.0009032500000000, -0.0000759200000000 ] - [ 0.0001256600000000, -0.0015767800000000, -0.0018105100000000 ] - [ -0.0000045000000000, 0.0000436400000000, -0.0001239100000000 ] - [ -0.0000011400000000, 0.0001153000000000, -0.0000779600000000 ] - [ 0.0001239800000000, 0.0007849400000000, -0.0000168400000000 ] - [ -0.0002046900000000, 0.0008559100000000, -0.0000766200000000 ] - [ -0.0005057100000000, 0.0002849500000000, -0.0001892700000000 ] - [ 0.0020098800000000, 0.0016553900000000, -0.0010516900000000 ] - [ 0.0004180900000000, -0.0004724600000000, 0.0005489400000000 ] - [ -0.0033617300000000, 0.0030712100000000, 0.0030289800000000 ] - [ -0.0000211900000000, -0.0000003100000000, 0.0003531500000000 ] - [ 0.0001542700000000, 0.0002123400000000, 0.0002886400000000 ] - [ -0.0000041400000000, 0.0003921700000000, 0.0003637600000000 ] - [ 0.0000833800000000, 0.0007400500000000, -0.0001417800000000 ] - [ 0.0001065000000000, 0.0003936400000000, 0.0003106200000000 ] - [ -0.0001891100000000, 0.0007398300000000, 0.0005972900000000 ] - [ -0.0007533300000000, -0.0017210600000000, 0.0004750600000000 ] - [ 0.0012298500000000, -0.0015377700000000, 0.0003940100000000 ] - [ 0.0002136500000000, 0.0004960500000000, 0.0002081700000000 ] - [ 0.0001735500000000, 0.0004488900000000, 0.0002142900000000 ] - [ -0.0000251700000000, 0.0002677000000000, -0.0003596100000000 ] - [ -0.0010866700000000, 0.0010793700000000, -0.0009717200000000 ] - [ -0.0004692400000000, 0.0002239800000000, -0.0002628100000000 ] - [ -0.0001168500000000, 0.0008095200000000, -0.0000944300000000 ] - [ 0.0001971900000000, 0.0007313800000000, 0.0007791300000000 ] - [ 0.0002019200000000, 0.0006748000000000, -0.0001106800000000 ] - [ 0.0003576300000000, 0.0006781000000000, -0.0011528800000000 ] - [ 0.0003524800000000, 0.0012359600000000, 0.0006785300000000 ] - [ 0.0000489900000000, -0.0071304100000000, 0.0015795000000000 ] - [ 0.0002373000000000, -0.0017827200000000, 0.0004557200000000 ] - [ -0.0000511700000000, 0.0010852400000000, -0.0000368700000000 ] - [ -0.0000825800000000, 0.0008568500000000, 0.0000048100000000 ] - [ 0.0000469000000000, 0.0008189200000000, 0.0001449300000000 ] - [ -0.0000607700000000, 0.0009072800000000, -0.0001568000000000 ] - [ 0.0000180900000000, -0.0007566900000000, -0.0000789100000000 ] - [ 0.0014879500000000, 0.0007163300000000, 0.0092708300000000 ] - [ 0.0093876600000000, 0.0044650900000000, -0.0010557700000000 ] - [ -0.0004956200000000, -0.0010624300000000, 0.0001223700000000 ] - [ -0.0001532500000000, 0.0009658400000000, -0.0000000700000000 ] - [ 0.0003784300000000, 0.0005758200000000, -0.0000605300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024454200000000, -0.0003768500000000, -0.0016092400000000 ] - [ -0.0001195800000000, -0.0005195500000000, -0.0003886600000000 ] - [ 0.0003511500000000, 0.0005469700000000, 0.0000665800000000 ] - [ 0.0005914900000000, 0.0004844000000000, -0.0000365100000000 ] - [ 0.0000492000000000, -0.0001914600000000, 0.0002872800000000 ] - [ -0.0001511100000000, -0.0001688700000000, -0.0005550700000000 ] - [ -0.0000732700000000, 0.0003849900000000, -0.0004865200000000 ] - [ -0.0000119600000000, 0.0004132000000000, 0.0000150400000000 ] - [ 0.0026409300000000, -0.0037324400000000, 0.0017395600000000 ] - [ 0.0000618500000000, -0.0012560300000000, 0.0004133000000000 ] - [ 0.0002462300000000, 0.0011289100000000, -0.0008632100000000 ] - [ 0.0003740300000000, 0.0008927200000000, -0.0006973000000000 ] - [ 0.0006030000000000, 0.0005604400000000, 0.0001068100000000 ] - [ 0.0004908800000000, 0.0004480400000000, -0.0003052000000000 ] - [ 0.0003825100000000, -0.0004488600000000, -0.0008834000000000 ] - [ 0.0008674500000000, 0.0007788200000000, 0.0013648100000000 ] - [ 0.0000608800000000, 0.0008273000000000, 0.0003878300000000 ] - [ -0.0000719200000000, 0.0005876700000000, 0.0003167500000000 ] - [ 0.0005129500000000, -0.0051725700000000, 0.0009116200000000 ] - [ -0.0000274500000000, -0.0010466300000000, -0.0000424700000000 ] - [ -0.0000427700000000, -0.0008411200000000, 0.0001967400000000 ] - [ 0.0004681300000000, -0.0025567400000000, 0.0015442700000000 ] - [ -0.0002443500000000, 0.0006130700000000, 0.0001390900000000 ] - [ -0.0002807700000000, 0.0006680100000000, 0.0000600800000000 ] - [ 0.0005002500000000, -0.0021756700000000, 0.0003727300000000 ] - [ 0.0005658600000000, -0.0037778500000000, 0.0002462600000000 ] - [ 0.0005914900000000, -0.0001207100000000, 0.0001446200000000 ] - [ 0.0005698200000000, -0.0001104700000000, 0.0001375100000000 ] - [ 0.0007337500000000, 0.0010129100000000, 0.0001598700000000 ] - [ 0.0006823500000000, 0.0011653700000000, 0.0000753700000000 ] - [ 0.0007977400000000, 0.0002311100000000, 0.0001390500000000 ] - [ -0.0004920300000000, -0.0000424600000000, 0.0029512100000000 ] - [ -0.0003459100000000, -0.0016786500000000, 0.0000994500000000 ] - [ -0.0004394900000000, -0.0005643600000000, -0.0002942800000000 ] - [ -0.0005925300000000, 0.0007855100000000, -0.0000183900000000 ] - [ -0.0005988900000000, 0.0007178900000000, -0.0000220700000000 ] - [ -0.0004984000000000, 0.0001974500000000, -0.0001125100000000 ] - [ -0.0006679400000000, 0.0004561400000000, -0.0002668700000000 ] - [ -0.0007200800000000, -0.0005791500000000, -0.0000409000000000 ] - [ -0.0003032500000000, -0.0019967200000000, 0.0015926800000000 ] - [ 0.0016867300000000, 0.0012030700000000, 0.0003832000000000 ] - [ -0.0008289500000000, 0.0002265300000000, -0.0002949900000000 ] - [ -0.0004933500000000, 0.0010826700000000, 0.0000165600000000 ] - [ 0.0005099400000000, 0.0008566200000000, -0.0000025900000000 ] - [ -0.0008808400000000, 0.0000544200000000, 0.0003289700000000 ] - [ -0.0007258900000000, -0.0000113300000000, 0.0002981000000000 ] - [ -0.0007128500000000, 0.0001165000000000, 0.0000062100000000 ] - [ -0.0007103300000000, 0.0001383600000000, 0.0002843900000000 ] - [ 0.0004304900000000, 0.0007028000000000, 0.0005123400000000 ] - [ 0.0005723900000000, 0.0002662700000000, -0.0001704300000000 ] - [ 0.0008186400000000, 0.0008700500000000, -0.0013951300000000 ] - [ 0.0004005600000000, 0.0001002500000000, 0.0001978600000000 ] - [ 0.0007418100000000, 0.0002035100000000, -0.0003777000000000 ] - [ -0.0008888400000000, -0.0001527600000000, 0.0002597800000000 ] - [ -0.0010516700000000, 0.0010806600000000, 0.0002586300000000 ] - [ -0.0008004800000000, 0.0004621800000000, 0.0002052900000000 ] - [ -0.0009112600000000, -0.0005287900000000, -0.0012352400000000 ] - [ -0.0002109200000000, 0.0000462600000000, -0.0002730900000000 ] - [ -0.0002376600000000, -0.0005175900000000, -0.0001183200000000 ] - [ -0.0003798000000000, -0.0003590800000000, -0.0003034900000000 ] - [ 0.0001968400000000, -0.0004817600000000, 0.0001759800000000 ] - [ 0.0002009100000000, -0.0003954100000000, 0.0002298000000000 ] - [ 0.0002674200000000, 0.0007195000000000, 0.0027248400000000 ] - [ 0.0002534600000000, 0.0003118500000000, -0.0001105600000000 ] - [ 0.0009416300000000, 0.0225108600000000, -0.0001936200000000 ] - [ -0.0000303900000000, 0.0006059200000000, -0.0002310500000000 ] - [ -0.0000404500000000, -0.0003835900000000, -0.0002713000000000 ] - [ -0.0000360100000000, -0.0002396200000000, -0.0002765100000000 ] - [ 0.0000196900000000, -0.0004432400000000, -0.0002177200000000 ] - [ 0.0000234900000000, -0.0003917100000000, -0.0002351900000000 ] - [ 0.0001370400000000, 0.0002750300000000, -0.0003794200000000 ] - [ -0.0001357900000000, 0.0002381100000000, -0.0003524300000000 ] - [ -0.0001357900000000, 0.0008884600000000, 0.0001719100000000 ] - [ -0.0000130500000000, 0.0008656200000000, 0.0002059100000000 ] - [ -0.0000584400000000, -0.0001251700000000, 0.0000371900000000 ] - [ -0.0000806100000000, -0.0001290700000000, 0.0000249700000000 ] - [ -0.0001096600000000, -0.0012553200000000, -0.0001131100000000 ] - [ -0.0000612600000000, -0.0005080100000000, 0.0000268300000000 ] - [ 0.0018001600000000, -0.0054903800000000, 0.0007821300000000 ] - [ -0.0001821000000000, -0.0001916500000000, 0.0000212900000000 ] - [ -0.0000305600000000, 0.0002447000000000, -0.0001486500000000 ] - [ -0.0001559600000000, 0.0009100400000000, 0.0015850600000000 ] - [ -0.0000247300000000, -0.0006996100000000, -0.0000995000000000 ] - [ -0.0000291400000000, -0.0007708300000000, -0.0001463700000000 ] - [ -0.0001540600000000, -0.0001286700000000, -0.0002069900000000 ] - [ 0.0001738600000000, -0.0001985000000000, -0.0001471200000000 ] - [ 0.0004776700000000, 0.0003742200000000, -0.0000328300000000 ] - [ -0.0020573300000000, -0.0010021300000000, 0.0008334000000000 ] - [ -0.0003722000000000, -0.0000954600000000, 0.0001509800000000 ] - [ 0.0033670300000000, -0.0036117000000000, -0.0022971100000000 ] - [ 0.0000667200000000, -0.0005636300000000, 0.0003468600000000 ] - [ -0.0001103200000000, -0.0007781900000000, 0.0004109700000000 ] - [ 0.0000489800000000, 0.0001720300000000, 0.0003358800000000 ] - [ -0.0000375100000000, -0.0001736000000000, 0.0008393800000000 ] - [ -0.0000604700000000, 0.0001733400000000, 0.0003887500000000 ] - [ 0.0002335200000000, -0.0001741900000000, 0.0001001300000000 ] - [ 0.0012011600000000, 0.0019171000000000, -0.0001010600000000 ] - [ -0.0007550200000000, 0.0017343300000000, -0.0000197700000000 ] - [ 0.0002470500000000, -0.0003052000000000, 0.0001588700000000 ] - [ 0.0002869400000000, -0.0002577100000000, 0.0001533900000000 ] - [ -0.0006979000000000, -0.0000683000000000, -0.0001539000000000 ] - [ 0.0003574600000000, -0.0008719300000000, 0.0004524700000000 ] - [ -0.0002540400000000, -0.0000228900000000, -0.0002509400000000 ] - [ -0.0006089100000000, -0.0006091000000000, -0.0004211500000000 ] - [ 0.0001858900000000, -0.0001198100000000, -0.0007986300000000 ] - [ 0.0001831200000000, -0.0000598300000000, 0.0000904800000000 ] - [ 0.0000331300000000, -0.0000591700000000, 0.0011400300000000 ] - [ 0.0000337500000000, -0.0006148700000000, -0.0006986000000000 ] - [ -0.0001615400000000, 0.0071344500000000, -0.0014129100000000 ] - [ -0.0002729100000000, 0.0018115600000000, -0.0002762500000000 ] - [ -0.0000231600000000, -0.0010533000000000, 0.0002197400000000 ] - [ 0.0000065800000000, -0.0008232200000000, 0.0001742400000000 ] - [ -0.0001216700000000, -0.0008502100000000, 0.0000358200000000 ] - [ -0.0000122000000000, -0.0009395300000000, 0.0003307600000000 ] - [ -0.0000913500000000, 0.0007276600000000, 0.0002610700000000 ] - [ -0.0015781500000000, -0.0007489100000000, -0.0091390700000000 ] - [ -0.0089040500000000, -0.0050226100000000, 0.0010271300000000 ] - [ 0.0008774300000000, 0.0004337000000000, -0.0001397800000000 ] - [ 0.0005391900000000, -0.0015869300000000, -0.0000230500000000 ] - [ 0.0000033000000000, -0.0011879300000000, 0.0000320300000000 ]- atom: 65 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0017994100000000, 0.0018837600000000, -0.0005466400000000 ] - [ 0.0003163500000000, -0.0001592400000000, 0.0005687700000000 ] - [ 0.0005549300000000, -0.0000960400000000, -0.0001227200000000 ] - [ 0.0004321600000000, 0.0000416400000000, -0.0000116500000000 ] - [ 0.0000425400000000, -0.0005199300000000, -0.0004004200000000 ] - [ -0.0001939600000000, 0.0003370200000000, -0.0005415600000000 ] - [ -0.0000226800000000, 0.0000607700000000, -0.0002906500000000 ] - [ 0.0000294100000000, -0.0004125200000000, -0.0002302800000000 ] - [ 0.0003104100000000, 0.0001063700000000, 0.0020291400000000 ] - [ 0.0024115200000000, -0.0014768500000000, 0.0008456800000000 ] - [ 0.0004558500000000, 0.0000524900000000, -0.0002729800000000 ] - [ 0.0004714500000000, 0.0001837500000000, -0.0003644000000000 ] - [ 0.0004510600000000, -0.0003270700000000, -0.0005510500000000 ] - [ 0.0004048100000000, 0.0000209500000000, -0.0003080200000000 ] - [ 0.0005871400000000, 0.0000065700000000, -0.0008379200000000 ] - [ -0.0002609000000000, -0.0013162400000000, -0.0011231400000000 ] - [ -0.0001646300000000, 0.0000432500000000, 0.0002861500000000 ] - [ -0.0001074200000000, -0.0000610000000000, 0.0001912500000000 ] - [ -0.0013044000000000, -0.0004135800000000, 0.0026770400000000 ] - [ 0.0020585500000000, 0.0008574700000000, 0.0003683200000000 ] - [ 0.0004722900000000, -0.0000177400000000, -0.0007600200000000 ] - [ -0.0020515100000000, -0.0007665500000000, -0.0010480800000000 ] - [ -0.0001079700000000, -0.0000263000000000, 0.0001860800000000 ] - [ -0.0001856300000000, 0.0000314100000000, 0.0002392600000000 ] - [ 0.0008717600000000, -0.0007590600000000, 0.0004603100000000 ] - [ -0.0039912600000000, -0.0010311400000000, 0.0054185200000000 ] - [ 0.0006644300000000, -0.0006053200000000, 0.0001596500000000 ] - [ 0.0006364700000000, -0.0006278000000000, 0.0001588200000000 ] - [ 0.0006355700000000, 0.0005675500000000, 0.0001465600000000 ] - [ 0.0006362800000000, 0.0006909300000000, 0.0001412000000000 ] - [ 0.0007838100000000, 0.0007584500000000, 0.0001420000000000 ] - [ 0.0003719300000000, -0.0022213300000000, -0.0028452400000000 ] - [ -0.0020715200000000, 0.0002751400000000, 0.0003674500000000 ] - [ 0.0012742700000000, -0.0001300100000000, -0.0022037700000000 ] - [ -0.0006419700000000, 0.0002781000000000, -0.0000073200000000 ] - [ -0.0005324600000000, 0.0002491000000000, -0.0001254900000000 ] - [ -0.0004700300000000, -0.0002203900000000, -0.0001450100000000 ] - [ -0.0007041100000000, -0.0002302100000000, 0.0000137400000000 ] - [ 0.0000673100000000, -0.0004192700000000, -0.0002961700000000 ] - [ -0.0025051900000000, -0.0004219800000000, 0.0025964900000000 ] - [ 0.0003931700000000, 0.0009189100000000, 0.0003243500000000 ] - [ 0.0002792600000000, -0.0004484400000000, 0.0002961600000000 ] - [ 0.0000431500000000, -0.0000215200000000, -0.0000481900000000 ] - [ 0.0001574100000000, 0.0005084600000000, 0.0001323300000000 ] - [ -0.0006745400000000, -0.0003281500000000, -0.0001656700000000 ] - [ -0.0010449400000000, -0.0000704600000000, 0.0002429400000000 ] - [ -0.0005308400000000, -0.0000201800000000, -0.0001020600000000 ] - [ -0.0011253400000000, -0.0003149500000000, 0.0000934200000000 ] - [ 0.0002828900000000, -0.0003629800000000, -0.0002000200000000 ] - [ 0.0006160600000000, 0.0000830100000000, -0.0002719300000000 ] - [ 0.0003639400000000, 0.0009037800000000, -0.0004307800000000 ] - [ 0.0006492800000000, -0.0000049600000000, -0.0004398200000000 ] - [ -0.0023212000000000, 0.0009480300000000, 0.0021656800000000 ] - [ -0.0001104800000000, -0.0001583500000000, 0.0004277600000000 ] - [ -0.0009142900000000, 0.0000542900000000, 0.0003088200000000 ] - [ -0.0007562200000000, 0.0002120000000000, 0.0002033200000000 ] - [ 0.0001746600000000, 0.0002086300000000, -0.0004366100000000 ] - [ -0.0007159400000000, 0.0001525000000000, 0.0000801900000000 ] - [ -0.0002235800000000, -0.0001347500000000, -0.0003090400000000 ] - [ -0.0004784100000000, -0.0001396100000000, -0.0001546100000000 ] - [ 0.0002726100000000, -0.0000542900000000, 0.0001607300000000 ] - [ 0.0001945100000000, -0.0001009600000000, 0.0002142300000000 ] - [ 0.0015216100000000, -0.0022627100000000, 0.0042449700000000 ] - [ -0.0001070100000000, -0.0001636400000000, 0.0008480300000000 ] - [ 0.0150207600000000, 0.0006417300000000, -0.0180241000000000 ] - [ -0.0006158900000000, 0.0000525700000000, -0.0003555100000000 ] - [ 0.0000347100000000, 0.0000795500000000, -0.0002870900000000 ] - [ -0.0000420700000000, 0.0000862900000000, -0.0002380300000000 ] - [ -0.0000638400000000, -0.0000684800000000, -0.0002012200000000 ] - [ 0.0000428300000000, -0.0000849300000000, -0.0002780800000000 ] - [ -0.0007222000000000, -0.0002687400000000, 0.0008077100000000 ] - [ 0.0004483500000000, -0.0000928100000000, -0.0002107800000000 ] - [ -0.0005472300000000, 0.0004999300000000, 0.0011451000000000 ] - [ 0.0003920100000000, 0.0000183100000000, 0.0001574300000000 ] - [ -0.0001177800000000, 0.0002394400000000, 0.0000824100000000 ] - [ -0.0000132000000000, 0.0003028900000000, 0.0000208600000000 ] - [ 0.0000834500000000, -0.0004210300000000, -0.0001087400000000 ] - [ -0.0001899200000000, -0.0001577000000000, 0.0000696600000000 ] - [ 0.0006594000000000, 0.0001515300000000, -0.0011477000000000 ] - [ -0.0003299300000000, -0.0004923500000000, -0.0000207400000000 ] - [ 0.0000732600000000, -0.0002675400000000, 0.0000837000000000 ] - [ -0.0004057700000000, -0.0016422300000000, 0.0033828900000000 ] - [ 0.0000138100000000, -0.0003488200000000, -0.0001152200000000 ] - [ -0.0000377700000000, -0.0002771400000000, -0.0000970400000000 ] - [ -0.0000932400000000, 0.0002241500000000, -0.0001468700000000 ] - [ 0.0000307200000000, 0.0005281500000000, -0.0001523900000000 ] - [ -0.0002197300000000, 0.0004927900000000, -0.0002232400000000 ] - [ -0.0008734200000000, -0.0017454200000000, -0.0003730700000000 ] - [ -0.0003442200000000, -0.0003390200000000, 0.0002901200000000 ] - [ -0.0009628700000000, 0.0038266200000000, 0.0007449000000000 ] - [ -0.0000131400000000, -0.0002535400000000, 0.0003855000000000 ] - [ 0.0000542300000000, -0.0004065400000000, 0.0002887100000000 ] - [ 0.0000693400000000, 0.0003607900000000, 0.0002836600000000 ] - [ 0.0000006100000000, -0.0000423000000000, 0.0005900700000000 ] - [ 0.0001479500000000, 0.0002553500000000, 0.0003363900000000 ] - [ -0.0001495800000000, 0.0007206300000000, 0.0004866300000000 ] - [ -0.0043439700000000, 0.0009714500000000, 0.0013176300000000 ] - [ -0.0001864500000000, -0.0002483900000000, -0.0016171600000000 ] - [ 0.0001948500000000, 0.0000805200000000, 0.0002037800000000 ] - [ 0.0002648300000000, 0.0001069000000000, 0.0001528200000000 ] - [ -0.0007327200000000, -0.0000396400000000, -0.0001274100000000 ] - [ 0.0000811700000000, -0.0000659200000000, -0.0004627200000000 ] - [ -0.0004860600000000, 0.0001391100000000, -0.0001853400000000 ] - [ -0.0002121500000000, 0.0002309000000000, -0.0004010400000000 ] - [ 0.0000658500000000, 0.0007357000000000, 0.0002584800000000 ] - [ 0.0003778200000000, -0.0000144200000000, 0.0001588600000000 ] - [ -0.0001136400000000, -0.0001193100000000, 0.0006002800000000 ] - [ 0.0003675100000000, 0.0009210300000000, 0.0007270400000000 ] - [ 0.0008476500000000, 0.0008050000000000, -0.0030956800000000 ] - [ -0.0067762000000000, 0.0006584400000000, 0.0020728600000000 ] - [ -0.0000311900000000, 0.0000073200000000, 0.0000161000000000 ] - [ -0.0000593600000000, 0.0000292900000000, 0.0001685500000000 ] - [ -0.0000747100000000, 0.0000685500000000, 0.0002571300000000 ] - [ 0.0000184400000000, -0.0000953600000000, 0.0000175100000000 ] - [ -0.0004576200000000, 0.0000474100000000, 0.0008177600000000 ] - [ 0.0048148700000000, 0.0059473400000000, 0.0038198300000000 ] - [ -0.0020708300000000, -0.0056243700000000, -0.0014232400000000 ] - [ -0.0005217000000000, 0.0009570800000000, -0.0014414900000000 ] - [ 0.0002337900000000, -0.0001463300000000, -0.0000433700000000 ] - [ 0.0001003600000000, -0.0005132600000000, -0.0001152200000000 ]- atom: 65 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0008228100000000, -0.0019132900000000, 0.0002972700000000 ] - [ 0.0006560600000000, 0.0001499800000000, -0.0007945500000000 ] - [ 0.0004287100000000, 0.0000828200000000, -0.0001189700000000 ] - [ 0.0005488900000000, -0.0000548900000000, -0.0002346300000000 ] - [ 0.0000188300000000, 0.0002114100000000, 0.0002030400000000 ] - [ 0.0002552900000000, -0.0006356900000000, 0.0003409900000000 ] - [ 0.0000877600000000, -0.0003658200000000, 0.0000956000000000 ] - [ 0.0000289600000000, 0.0001165100000000, 0.0000294700000000 ] - [ 0.0006301600000000, 0.0001432800000000, -0.0026949900000000 ] - [ -0.0014916500000000, 0.0017053700000000, -0.0015159100000000 ] - [ 0.0004532500000000, 0.0001754900000000, -0.0003945300000000 ] - [ 0.0004370600000000, 0.0000471100000000, -0.0003058400000000 ] - [ 0.0004568200000000, 0.0000970000000000, -0.0001193700000000 ] - [ 0.0004987300000000, -0.0002662500000000, -0.0003762400000000 ] - [ 0.0003220500000000, -0.0002279300000000, 0.0001707800000000 ] - [ 0.0011679400000000, 0.0010753700000000, 0.0004417300000000 ] - [ -0.0001179700000000, -0.0000538400000000, 0.0001684700000000 ] - [ -0.0001761300000000, 0.0000444600000000, 0.0002598400000000 ] - [ 0.0010237700000000, 0.0004051900000000, -0.0022174700000000 ] - [ -0.0023360100000000, -0.0008753600000000, 0.0000790800000000 ] - [ -0.0007542400000000, 0.0000245000000000, 0.0012139400000000 ] - [ 0.0017728400000000, 0.0007853500000000, 0.0014913000000000 ] - [ -0.0001746800000000, 0.0000372800000000, 0.0002683300000000 ] - [ -0.0001076300000000, -0.0000026300000000, 0.0002088900000000 ] - [ 0.0004204200000000, -0.0004693300000000, -0.0001456600000000 ] - [ 0.0048379500000000, -0.0002293900000000, -0.0047188200000000 ] - [ 0.0006166300000000, -0.0006224000000000, 0.0001531800000000 ] - [ 0.0006479200000000, -0.0006024800000000, 0.0001533500000000 ] - [ 0.0006428100000000, 0.0006611500000000, 0.0001650400000000 ] - [ 0.0006657700000000, 0.0005409500000000, 0.0001706400000000 ] - [ 0.0004861600000000, 0.0004716800000000, 0.0001694500000000 ] - [ 0.0009308700000000, 0.0034585900000000, 0.0031467700000000 ] - [ 0.0008930300000000, 0.0002544900000000, -0.0004848200000000 ] - [ -0.0024548500000000, 0.0006673900000000, 0.0020932000000000 ] - [ -0.0005293800000000, 0.0002492500000000, -0.0001189200000000 ] - [ -0.0006380500000000, 0.0002805400000000, 0.0000056300000000 ] - [ -0.0007000800000000, -0.0003073700000000, 0.0000153100000000 ] - [ -0.0004752300000000, -0.0003030600000000, -0.0001204200000000 ] - [ -0.0012365400000000, -0.0001036200000000, 0.0001588600000000 ] - [ 0.0013248900000000, -0.0001094100000000, -0.0027171000000000 ] - [ -0.0003251300000000, -0.0006117300000000, -0.0005265800000000 ] - [ -0.0002200500000000, 0.0007411200000000, -0.0004929100000000 ] - [ 0.0000230400000000, 0.0003241800000000, -0.0001501000000000 ] - [ -0.0000928600000000, -0.0001991100000000, -0.0003263100000000 ] - [ -0.0010370200000000, 0.0000370300000000, 0.0005742200000000 ] - [ -0.0006482100000000, -0.0002151400000000, 0.0001686000000000 ] - [ -0.0011808800000000, -0.0002656600000000, 0.0005116800000000 ] - [ -0.0005723800000000, 0.0000270900000000, 0.0003174600000000 ] - [ 0.0006966800000000, 0.0003747600000000, -0.0000449000000000 ] - [ 0.0003612600000000, -0.0000756400000000, 0.0000418800000000 ] - [ 0.0006133600000000, -0.0008860400000000, 0.0001879000000000 ] - [ 0.0003296200000000, 0.0000130300000000, 0.0002073400000000 ] - [ 0.0006189300000000, -0.0006373700000000, -0.0017607100000000 ] - [ -0.0015805600000000, 0.0004411500000000, -0.0000165800000000 ] - [ -0.0007945500000000, 0.0002307100000000, 0.0001012900000000 ] - [ -0.0009543200000000, 0.0000776300000000, 0.0002075500000000 ] - [ -0.0008955500000000, -0.0004102500000000, -0.0000800500000000 ] - [ -0.0000093100000000, -0.0003495300000000, -0.0005912800000000 ] - [ -0.0004983200000000, -0.0000639700000000, -0.0002033200000000 ] - [ -0.0002458300000000, -0.0000596800000000, -0.0003564000000000 ] - [ 0.0001881900000000, -0.0001354200000000, 0.0002041700000000 ] - [ 0.0002647000000000, -0.0000886500000000, 0.0001506800000000 ] - [ -0.0010373600000000, 0.0020494700000000, -0.0038489000000000 ] - [ 0.0005632300000000, -0.0000270200000000, -0.0004828000000000 ] - [ -0.0145771300000000, -0.0004664700000000, 0.0171213300000000 ] - [ 0.0006029500000000, 0.0001179700000000, -0.0001519400000000 ] - [ -0.0000441600000000, 0.0000902700000000, -0.0002212900000000 ] - [ 0.0000312500000000, 0.0000839900000000, -0.0002698500000000 ] - [ 0.0000530000000000, -0.0001011800000000, -0.0003067800000000 ] - [ -0.0000527200000000, -0.0000843400000000, -0.0002307100000000 ] - [ 0.0007102200000000, 0.0000963600000000, -0.0013146100000000 ] - [ -0.0004572600000000, -0.0000765900000000, -0.0003000900000000 ] - [ 0.0004191700000000, 0.0000274800000000, -0.0010627500000000 ] - [ -0.0005203800000000, 0.0005055700000000, -0.0000791000000000 ] - [ -0.0000101100000000, 0.0002848700000000, -0.0000029100000000 ] - [ -0.0001144500000000, 0.0002219300000000, 0.0000581300000000 ] - [ -0.0002101600000000, -0.0001055100000000, 0.0001871300000000 ] - [ 0.0000620900000000, -0.0003666300000000, 0.0000093400000000 ] - [ -0.0007902400000000, -0.0006543400000000, 0.0012262000000000 ] - [ 0.0002005400000000, -0.0000333000000000, 0.0000998700000000 ] - [ -0.0000992000000000, -0.0003876100000000, -0.0003078500000000 ] - [ 0.0003732700000000, 0.0010000200000000, -0.0036349100000000 ] - [ -0.0000417400000000, -0.0003071900000000, -0.0001099900000000 ] - [ 0.0000085400000000, -0.0003782500000000, -0.0001272200000000 ] - [ 0.0000631400000000, 0.0004312600000000, -0.0000777800000000 ] - [ -0.0000585800000000, 0.0001287300000000, -0.0000731300000000 ] - [ 0.0001875300000000, 0.0001657200000000, 0.0000006900000000 ] - [ 0.0008428700000000, 0.0023871900000000, 0.0001423700000000 ] - [ 0.0003855400000000, -0.0002252300000000, 0.0004088000000000 ] - [ 0.0010107500000000, -0.0043587500000000, -0.0000550800000000 ] - [ 0.0000578300000000, -0.0003085000000000, 0.0003139800000000 ] - [ -0.0000088200000000, -0.0001560100000000, 0.0004100900000000 ] - [ -0.0000234400000000, 0.0002019800000000, 0.0004150800000000 ] - [ 0.0000437600000000, 0.0006065600000000, 0.0001110300000000 ] - [ -0.0001013400000000, 0.0003072900000000, 0.0003619900000000 ] - [ 0.0001936000000000, -0.0001583300000000, 0.0002126100000000 ] - [ 0.0048426600000000, -0.0007910400000000, -0.0009512400000000 ] - [ 0.0006583100000000, 0.0004392200000000, 0.0019750200000000 ] - [ 0.0002643700000000, 0.0001094000000000, 0.0001614000000000 ] - [ 0.0001956600000000, 0.0000834600000000, 0.0002124800000000 ] - [ 0.0000088100000000, 0.0002396600000000, -0.0003824600000000 ] - [ -0.0008020500000000, 0.0002629900000000, -0.0000473200000000 ] - [ -0.0002373800000000, 0.0000596700000000, -0.0003251400000000 ] - [ -0.0005103900000000, -0.0000299800000000, -0.0001109800000000 ] - [ 0.0003206600000000, -0.0001190400000000, -0.0002810100000000 ] - [ 0.0000078500000000, 0.0006292200000000, -0.0001776600000000 ] - [ 0.0005040400000000, 0.0007267100000000, -0.0006253200000000 ] - [ 0.0000233700000000, -0.0003091900000000, -0.0007506900000000 ] - [ -0.0009623300000000, -0.0007811100000000, 0.0032390400000000 ] - [ 0.0066578400000000, -0.0006326600000000, -0.0018535400000000 ] - [ -0.0000416900000000, 0.0000239300000000, 0.0001669200000000 ] - [ -0.0000197400000000, 0.0000003800000000, 0.0000097400000000 ] - [ -0.0000032300000000, -0.0000981000000000, -0.0000791000000000 ] - [ -0.0000841500000000, 0.0000660800000000, 0.0001636800000000 ] - [ 0.0003912000000000, -0.0000771700000000, -0.0006310000000000 ] - [ -0.0049308500000000, -0.0060124900000000, -0.0036484400000000 ] - [ 0.0024375900000000, 0.0050187200000000, 0.0014487100000000 ] - [ 0.0009032500000000, -0.0015618000000000, 0.0014054300000000 ] - [ 0.0001541200000000, -0.0004647300000000, 0.0000196600000000 ] - [ 0.0002806900000000, -0.0001044600000000, 0.0000953100000000 ]- atom: 73 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0042365500000000, -0.0006106700000000, -0.0027650100000000 ] - [ -0.0003722000000000, -0.0002246500000000, -0.0010903900000000 ] - [ 0.0005772800000000, -0.0000273100000000, -0.0001151400000000 ] - [ 0.0004148300000000, -0.0000167500000000, -0.0001481800000000 ] - [ 0.0092127700000000, 0.0038794700000000, -0.0002277900000000 ] - [ -0.0015688100000000, 0.0010545300000000, -0.0004690400000000 ] - [ 0.0000509300000000, 0.0000614100000000, -0.0000241800000000 ] - [ 0.0000100500000000, -0.0002827900000000, -0.0001302300000000 ] - [ 0.0005238800000000, -0.0006822400000000, 0.0013112000000000 ] - [ 0.0003448000000000, 0.0009856500000000, -0.0023661400000000 ] - [ 0.0004593100000000, 0.0000937400000000, -0.0003061800000000 ] - [ 0.0004549900000000, 0.0000999500000000, -0.0003472900000000 ] - [ 0.0007500900000000, -0.0016910400000000, -0.0009105500000000 ] - [ 0.0002692700000000, 0.0004060400000000, -0.0001299800000000 ] - [ 0.0007023400000000, 0.0011164000000000, 0.0002763800000000 ] - [ 0.0001594600000000, -0.0006423800000000, -0.0006499500000000 ] - [ -0.0002117500000000, 0.0000142600000000, 0.0003068500000000 ] - [ -0.0000898700000000, 0.0000113200000000, 0.0001738100000000 ] - [ -0.0002699300000000, -0.0000131600000000, 0.0007882000000000 ] - [ -0.0001954700000000, -0.0008537400000000, -0.0010837900000000 ] - [ 0.0041738800000000, -0.0036285000000000, 0.0020480200000000 ] - [ -0.0011132800000000, -0.0006677700000000, 0.0003436200000000 ] - [ -0.0000133600000000, -0.0003314400000000, 0.0001706900000000 ] - [ -0.0002469800000000, 0.0001535800000000, 0.0002416000000000 ] - [ 0.0001161200000000, -0.0006331800000000, 0.0002752000000000 ] - [ 0.0032114800000000, -0.0005578200000000, 0.0001937300000000 ] - [ 0.0005870500000000, -0.0005782900000000, 0.0001251100000000 ] - [ 0.0007270400000000, -0.0006599700000000, 0.0002010300000000 ] - [ 0.0004572400000000, 0.0004208300000000, 0.0000508800000000 ] - [ 0.0006724300000000, 0.0008909900000000, 0.0002174500000000 ] - [ -0.0001132100000000, 0.0014461400000000, -0.0002284000000000 ] - [ 0.0001363800000000, -0.0004408200000000, 0.0006302300000000 ] - [ -0.0019958700000000, 0.0006952400000000, 0.0012327700000000 ] - [ 0.0065284300000000, 0.0024107200000000, 0.0026066200000000 ] - [ -0.0006703200000000, 0.0002499600000000, -0.0000245600000000 ] - [ -0.0005132800000000, 0.0002640600000000, -0.0000865000000000 ] - [ -0.0005300800000000, -0.0004177100000000, -0.0003936100000000 ] - [ -0.0006735500000000, -0.0001866200000000, 0.0001148800000000 ] - [ -0.0004571800000000, 0.0003988300000000, -0.0010490400000000 ] - [ -0.0008658100000000, -0.0004944200000000, 0.0002790400000000 ] - [ 0.0003525900000000, 0.0009632300000000, 0.0008590800000000 ] - [ -0.0000245700000000, 0.0001915700000000, -0.0005220900000000 ] - [ 0.0001016200000000, 0.0001549500000000, -0.0000943800000000 ] - [ -0.0000364100000000, 0.0000659900000000, -0.0001383900000000 ] - [ 0.0030699200000000, -0.0000832000000000, 0.0003087600000000 ] - [ -0.0018700900000000, -0.0000652000000000, 0.0002102900000000 ] - [ -0.0004621600000000, -0.0002439700000000, 0.0002505500000000 ] - [ -0.0011069400000000, -0.0001785200000000, 0.0001938200000000 ] - [ 0.0010143000000000, -0.0011957100000000, 0.0010262800000000 ] - [ 0.0001441700000000, 0.0004520800000000, -0.0004047300000000 ] - [ 0.0006090700000000, 0.0001842900000000, 0.0001529400000000 ] - [ 0.0003891200000000, -0.0001703100000000, -0.0002626600000000 ] - [ -0.0014734900000000, 0.0004286300000000, 0.0011942200000000 ] - [ -0.0014671900000000, 0.0000547500000000, -0.0008519200000000 ] - [ -0.0008199500000000, 0.0001083000000000, 0.0002571900000000 ] - [ -0.0009087900000000, 0.0001451700000000, 0.0001399500000000 ] - [ 0.0005922600000000, 0.0002741000000000, -0.0010513800000000 ] - [ 0.0010111600000000, -0.0020131500000000, 0.0019669600000000 ] - [ -0.0003107700000000, -0.0001153600000000, -0.0002920400000000 ] - [ -0.0003987700000000, -0.0000436900000000, -0.0002272700000000 ] - [ 0.0002769900000000, 0.0000711300000000, 0.0001048700000000 ] - [ 0.0002081700000000, -0.0001998000000000, 0.0002332100000000 ] - [ 0.0006884000000000, -0.0015499000000000, -0.0008641600000000 ] - [ 0.0007945500000000, 0.0003907700000000, 0.0004638800000000 ] - [ 0.0000844200000000, 0.0001595300000000, -0.0007756000000000 ] - [ 0.0002634100000000, 0.0000348200000000, 0.0004792900000000 ] - [ -0.0000003300000000, 0.0000816000000000, -0.0003157500000000 ] - [ 0.0000009000000000, 0.0001039900000000, -0.0001893700000000 ] - [ -0.0002268500000000, -0.0001339200000000, -0.0002279100000000 ] - [ 0.0001710300000000, -0.0000835400000000, -0.0002869400000000 ] - [ -0.0013325500000000, 0.0017724500000000, -0.0002838500000000 ] - [ 0.0004535000000000, -0.0002065400000000, -0.0002642100000000 ] - [ -0.0383545000000000, -0.0069529600000000, -0.0033249200000000 ] - [ 0.0008572100000000, 0.0002962200000000, 0.0000761600000000 ] - [ -0.0001349200000000, 0.0002849600000000, 0.0000269500000000 ] - [ -0.0000059700000000, 0.0002682000000000, 0.0000420700000000 ] - [ 0.0000640500000000, -0.0003631300000000, -0.0002540400000000 ] - [ -0.0000358200000000, -0.0003065300000000, 0.0002922600000000 ] - [ -0.0001111100000000, -0.0002000500000000, -0.0001530500000000 ] - [ 0.0000619300000000, -0.0002092800000000, 0.0002685400000000 ] - [ 0.0064564800000000, -0.0014569200000000, 0.0018102300000000 ] - [ 0.0064478100000000, 0.0009775200000000, -0.0019137600000000 ] - [ 0.0000361200000000, -0.0002977200000000, -0.0001093200000000 ] - [ -0.0000500200000000, -0.0003384800000000, -0.0001095200000000 ] - [ -0.0000200100000000, 0.0002341200000000, -0.0000468400000000 ] - [ -0.0001258500000000, 0.0003238200000000, -0.0001885400000000 ] - [ -0.0000188200000000, 0.0003218900000000, -0.0000165300000000 ] - [ -0.0001269200000000, 0.0004665900000000, -0.0001493900000000 ] - [ 0.0001076000000000, -0.0002670400000000, 0.0005115100000000 ] - [ -0.0008467700000000, -0.0001440800000000, -0.0006978600000000 ] - [ 0.0000346500000000, -0.0002721300000000, 0.0003916000000000 ] - [ 0.0000049400000000, -0.0002681100000000, 0.0003103800000000 ] - [ 0.0007338500000000, 0.0007781600000000, 0.0005861000000000 ] - [ 0.0006950200000000, -0.0017451100000000, -0.0002315600000000 ] - [ 0.0001637000000000, 0.0001439000000000, 0.0003513500000000 ] - [ -0.0000752200000000, 0.0004715100000000, 0.0003370900000000 ] - [ -0.0008689500000000, 0.0009012700000000, -0.0005718600000000 ] - [ 0.0005800200000000, 0.0000449800000000, 0.0004129000000000 ] - [ 0.0001359600000000, 0.0000819000000000, 0.0002009200000000 ] - [ 0.0003025900000000, 0.0001022800000000, 0.0001799700000000 ] - [ -0.0015433000000000, 0.0013665400000000, 0.0013312700000000 ] - [ -0.0000085600000000, -0.0000103500000000, -0.0004231700000000 ] - [ -0.0004442300000000, -0.0000082400000000, -0.0002087800000000 ] - [ -0.0002964200000000, 0.0001881600000000, -0.0002834200000000 ] - [ -0.0029914000000000, 0.0078023100000000, -0.0022578000000000 ] - [ 0.0013114800000000, -0.0007879400000000, 0.0002944900000000 ] - [ -0.0002990900000000, -0.0002058400000000, -0.0004940300000000 ] - [ 0.0004484500000000, 0.0006632800000000, 0.0002029500000000 ] - [ 0.0004509300000000, 0.0002240900000000, -0.0015394300000000 ] - [ -0.0017492000000000, 0.0019961800000000, 0.0056610400000000 ] - [ 0.0000353800000000, 0.0000139600000000, 0.0000442700000000 ] - [ -0.0001338200000000, 0.0000264900000000, 0.0001116900000000 ] - [ 0.0001674700000000, 0.0006127600000000, 0.0007137600000000 ] - [ 0.0000567100000000, -0.0003452500000000, -0.0001806600000000 ] - [ 0.0011338500000000, -0.0030726100000000, 0.0012812400000000 ] - [ 0.0007575700000000, 0.0007605800000000, -0.0000999400000000 ] - [ 0.0011563300000000, -0.0009478000000000, -0.0034705600000000 ] - [ 0.0009792600000000, -0.0009711300000000, 0.0014586900000000 ] - [ 0.0001231500000000, -0.0002930500000000, -0.0000358900000000 ] - [ 0.0002760200000000, -0.0002543300000000, 0.0000334300000000 ]- atom: 73 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ -0.0033168800000000, 0.0006368900000000, 0.0026834200000000 ] - [ 0.0013450600000000, 0.0002107100000000, 0.0008554400000000 ] - [ 0.0004071200000000, 0.0000123800000000, -0.0001288300000000 ] - [ 0.0005680200000000, 0.0000039700000000, -0.0000912300000000 ] - [ -0.0087978400000000, -0.0038488200000000, -0.0000144600000000 ] - [ 0.0016415800000000, -0.0013642500000000, 0.0002735300000000 ] - [ 0.0000076700000000, -0.0003555300000000, -0.0001783000000000 ] - [ 0.0000517800000000, -0.0000158800000000, -0.0000665500000000 ] - [ 0.0003826000000000, 0.0009107200000000, -0.0019728700000000 ] - [ 0.0005579300000000, -0.0007391800000000, 0.0016825800000000 ] - [ 0.0004496600000000, 0.0001315700000000, -0.0003601200000000 ] - [ 0.0004522400000000, 0.0001331800000000, -0.0003249800000000 ] - [ 0.0001585600000000, 0.0014622400000000, 0.0002421000000000 ] - [ 0.0006356600000000, -0.0006494500000000, -0.0005505600000000 ] - [ 0.0002057000000000, -0.0013595100000000, -0.0009561100000000 ] - [ 0.0007492200000000, 0.0004184400000000, -0.0000164800000000 ] - [ -0.0000700800000000, -0.0000216900000000, 0.0001495900000000 ] - [ -0.0001987300000000, -0.0000286000000000, 0.0002763200000000 ] - [ -0.0000161000000000, 0.0000008500000000, -0.0003309000000000 ] - [ -0.0000922600000000, 0.0008311600000000, 0.0015306100000000 ] - [ -0.0044092700000000, 0.0035037800000000, -0.0015300600000000 ] - [ 0.0008320100000000, 0.0006898200000000, 0.0001081200000000 ] - [ -0.0002687400000000, 0.0003370500000000, 0.0002852400000000 ] - [ -0.0000415200000000, -0.0001364200000000, 0.0002087500000000 ] - [ 0.0011664100000000, -0.0005938400000000, 0.0000406000000000 ] - [ -0.0019202900000000, -0.0006747600000000, 0.0001084500000000 ] - [ 0.0006930000000000, -0.0006496100000000, 0.0001868800000000 ] - [ 0.0005659700000000, -0.0005683000000000, 0.0001098200000000 ] - [ 0.0008218700000000, 0.0008059200000000, 0.0002600300000000 ] - [ 0.0006212300000000, 0.0003368900000000, 0.0000934300000000 ] - [ 0.0014143500000000, -0.0002132500000000, 0.0005384200000000 ] - [ 0.0011504900000000, 0.0016763400000000, -0.0003214400000000 ] - [ 0.0008108200000000, -0.0001616900000000, -0.0013482600000000 ] - [ -0.0079553300000000, -0.0020445100000000, -0.0029714000000000 ] - [ -0.0005019000000000, 0.0002780700000000, -0.0001070300000000 ] - [ -0.0006628800000000, 0.0002671800000000, -0.0000339100000000 ] - [ -0.0006413800000000, -0.0001088400000000, 0.0002588100000000 ] - [ -0.0005041800000000, -0.0003472800000000, -0.0002336800000000 ] - [ -0.0007159800000000, -0.0009368800000000, 0.0009341200000000 ] - [ -0.0003087400000000, -0.0000348600000000, -0.0004056000000000 ] - [ -0.0002950100000000, -0.0006662600000000, -0.0010529700000000 ] - [ 0.0000794600000000, 0.0000967900000000, 0.0003190000000000 ] - [ -0.0000371200000000, 0.0001487400000000, -0.0001016300000000 ] - [ 0.0000981600000000, 0.0002340500000000, -0.0000610800000000 ] - [ -0.0047712400000000, -0.0001912400000000, 0.0000967200000000 ] - [ 0.0001718700000000, -0.0002224200000000, 0.0002019800000000 ] - [ -0.0012347200000000, -0.0000422600000000, 0.0001598400000000 ] - [ -0.0006007500000000, -0.0001063600000000, 0.0002184200000000 ] - [ -0.0000307300000000, 0.0012051100000000, -0.0012635900000000 ] - [ 0.0008381700000000, -0.0004439500000000, 0.0001728900000000 ] - [ 0.0003699600000000, -0.0001739100000000, -0.0003820900000000 ] - [ 0.0005922800000000, 0.0001842600000000, 0.0000242200000000 ] - [ -0.0002350700000000, -0.0001437100000000, -0.0007809400000000 ] - [ -0.0002283300000000, 0.0002271600000000, 0.0012589400000000 ] - [ -0.0008953100000000, 0.0001786500000000, 0.0001538800000000 ] - [ -0.0007983000000000, 0.0001407500000000, 0.0002708300000000 ] - [ -0.0013144400000000, -0.0004667200000000, 0.0005348600000000 ] - [ -0.0017377700000000, 0.0018280000000000, -0.0024960000000000 ] - [ -0.0004152300000000, -0.0000828300000000, -0.0002193900000000 ] - [ -0.0003262700000000, -0.0001543900000000, -0.0002844300000000 ] - [ 0.0001851300000000, -0.0002605700000000, 0.0002609300000000 ] - [ 0.0002541400000000, 0.0000118000000000, 0.0001320100000000 ] - [ -0.0002304200000000, 0.0013514000000000, 0.0012271400000000 ] - [ -0.0003318600000000, -0.0005822100000000, -0.0001014800000000 ] - [ -0.0000962100000000, 0.0000138300000000, 0.0002680100000000 ] - [ -0.0002760700000000, 0.0001362300000000, -0.0009870200000000 ] - [ -0.0000110200000000, 0.0000914800000000, -0.0001921300000000 ] - [ -0.0000125000000000, 0.0000690700000000, -0.0003196200000000 ] - [ 0.0002162400000000, -0.0000399300000000, -0.0002806400000000 ] - [ -0.0001833400000000, -0.0000882500000000, -0.0002217500000000 ] - [ 0.0013345800000000, -0.0019306800000000, -0.0002232200000000 ] - [ -0.0004650400000000, 0.0000313800000000, -0.0002446600000000 ] - [ 0.0381625000000000, 0.0074231200000000, 0.0034446500000000 ] - [ -0.0009829200000000, 0.0002286200000000, 0.0000019000000000 ] - [ 0.0000096600000000, 0.0002402400000000, 0.0000515400000000 ] - [ -0.0001197500000000, 0.0002557300000000, 0.0000368500000000 ] - [ -0.0001884700000000, -0.0001615100000000, 0.0003337400000000 ] - [ -0.0000895200000000, -0.0002161100000000, -0.0002144200000000 ] - [ -0.0000143000000000, -0.0003247000000000, 0.0002324100000000 ] - [ -0.0001876500000000, -0.0003146000000000, -0.0001896000000000 ] - [ -0.0064087600000000, 0.0007813900000000, -0.0020042200000000 ] - [ -0.0065654700000000, -0.0016546400000000, 0.0017225300000000 ] - [ -0.0000670100000000, -0.0003573600000000, -0.0001150900000000 ] - [ 0.0000192600000000, -0.0003166300000000, -0.0001149900000000 ] - [ -0.0000123600000000, 0.0004217800000000, -0.0001785000000000 ] - [ 0.0000952500000000, 0.0003315200000000, -0.0000344600000000 ] - [ -0.0000112000000000, 0.0003335800000000, -0.0002090200000000 ] - [ 0.0000953100000000, 0.0001898300000000, -0.0000736500000000 ] - [ -0.0000630900000000, -0.0002986400000000, 0.0001852900000000 ] - [ 0.0008875100000000, -0.0004236100000000, 0.0014041800000000 ] - [ 0.0000117100000000, -0.0002929200000000, 0.0003072100000000 ] - [ 0.0000413200000000, -0.0002969600000000, 0.0003897100000000 ] - [ -0.0006870900000000, -0.0002076500000000, 0.0001134400000000 ] - [ -0.0006439600000000, 0.0023212800000000, 0.0009362200000000 ] - [ -0.0001180200000000, 0.0004216700000000, 0.0003480800000000 ] - [ 0.0001227600000000, 0.0000936800000000, 0.0003621200000000 ] - [ 0.0013400700000000, -0.0007036000000000, 0.0009260500000000 ] - [ -0.0001176300000000, 0.0001425800000000, -0.0000444400000000 ] - [ 0.0003261200000000, 0.0001072800000000, 0.0001643300000000 ] - [ 0.0001593800000000, 0.0000875700000000, 0.0001858900000000 ] - [ 0.0008024400000000, -0.0011761600000000, -0.0018505600000000 ] - [ -0.0007171400000000, 0.0002102900000000, -0.0000865900000000 ] - [ -0.0002810700000000, 0.0002080400000000, -0.0003033300000000 ] - [ -0.0004298500000000, 0.0000099900000000, -0.0002282700000000 ] - [ 0.0033569300000000, -0.0071775500000000, 0.0022379600000000 ] - [ -0.0009323100000000, 0.0014178800000000, -0.0003116300000000 ] - [ 0.0006829000000000, 0.0008245900000000, 0.0004775600000000 ] - [ -0.0000657700000000, -0.0000500600000000, -0.0002267000000000 ] - [ -0.0005195100000000, -0.0001866700000000, 0.0016995300000000 ] - [ 0.0016836200000000, -0.0019671200000000, -0.0054802500000000 ] - [ -0.0001105800000000, 0.0000206200000000, 0.0001363600000000 ] - [ 0.0000584000000000, 0.0000127500000000, 0.0000651100000000 ] - [ -0.0002391600000000, -0.0006479100000000, -0.0005349700000000 ] - [ -0.0001248400000000, 0.0003151300000000, 0.0003591500000000 ] - [ -0.0012222500000000, 0.0030436400000000, -0.0011013600000000 ] - [ -0.0008291300000000, -0.0008040900000000, 0.0002783800000000 ] - [ -0.0007633500000000, 0.0003276400000000, 0.0034407900000000 ] - [ -0.0005928200000000, 0.0003534000000000, -0.0014691500000000 ] - [ 0.0002644400000000, -0.0003314100000000, 0.0000180000000000 ] - [ 0.0001053400000000, -0.0003609200000000, -0.0000582900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000670500000000, 0.0033181400000000, 0.0010662800000000 ] - [ 0.0004431100000000, 0.0009943800000000, -0.0001252800000000 ] - [ 0.0004776400000000, -0.0006043100000000, -0.0001253800000000 ] - [ 0.0005260600000000, -0.0005647900000000, -0.0001696300000000 ] - [ 0.0036079600000000, 0.0057335500000000, -0.0007444900000000 ] - [ 0.0005923800000000, 0.0005809200000000, -0.0001354200000000 ] - [ 0.0003182600000000, -0.0012432800000000, -0.0000220000000000 ] - [ 0.0000774200000000, -0.0007375700000000, -0.0000155400000000 ] - [ 0.0001037100000000, 0.0019221000000000, -0.0014005500000000 ] - [ -0.0000871800000000, 0.0024757800000000, -0.0018991900000000 ] - [ 0.0005883800000000, -0.0007501400000000, 0.0000624000000000 ] - [ 0.0006116400000000, -0.0008258900000000, 0.0001341300000000 ] - [ -0.0007760600000000, -0.0026225600000000, -0.0018599700000000 ] - [ 0.0006738400000000, -0.0002841000000000, -0.0003370900000000 ] - [ 0.0006717400000000, -0.0023447800000000, -0.0011535700000000 ] - [ 0.0001621300000000, -0.0006217300000000, -0.0006631600000000 ] - [ -0.0003716200000000, -0.0006312400000000, 0.0001753300000000 ] - [ -0.0001386200000000, -0.0006560200000000, 0.0002398900000000 ] - [ 0.0001809900000000, 0.0005717900000000, 0.0003428700000000 ] - [ -0.0005500400000000, -0.0000426600000000, -0.0002912900000000 ] - [ -0.0033242000000000, 0.0084937800000000, -0.0024767300000000 ] - [ -0.0004842800000000, 0.0004944100000000, 0.0000855600000000 ] - [ -0.0000582300000000, -0.0011182300000000, 0.0001770800000000 ] - [ 0.0000249600000000, -0.0005330200000000, 0.0003503200000000 ] - [ 0.0003852900000000, -0.0000205900000000, 0.0002258400000000 ] - [ 0.0004759600000000, -0.0000755100000000, -0.0026554900000000 ] - [ 0.0006900700000000, -0.0010468700000000, 0.0001334500000000 ] - [ 0.0007695600000000, -0.0012422000000000, 0.0002779900000000 ] - [ 0.0000815900000000, -0.0000085700000000, -0.0000500500000000 ] - [ 0.0010092100000000, 0.0000296600000000, 0.0000104800000000 ] - [ 0.0024791300000000, 0.0000435000000000, 0.0004266400000000 ] - [ -0.0008386200000000, 0.0002262500000000, 0.0006655800000000 ] - [ -0.0003319900000000, 0.0012757000000000, -0.0002639000000000 ] - [ 0.0017448400000000, 0.0041767700000000, 0.0014463200000000 ] - [ -0.0006382200000000, -0.0002852300000000, -0.0000946300000000 ] - [ -0.0005087500000000, -0.0003816500000000, -0.0000503000000000 ] - [ -0.0006965100000000, -0.0009496200000000, -0.0005656800000000 ] - [ -0.0004918100000000, -0.0004902100000000, 0.0000693300000000 ] - [ -0.0004212600000000, -0.0015477300000000, 0.0013754200000000 ] - [ -0.0008253000000000, -0.0004075000000000, -0.0000179500000000 ] - [ 0.0003635900000000, 0.0006750000000000, -0.0004998000000000 ] - [ 0.0003452600000000, 0.0009856200000000, 0.0004462800000000 ] - [ -0.0001359000000000, -0.0004861400000000, -0.0001170300000000 ] - [ -0.0000748500000000, -0.0005455300000000, -0.0002323600000000 ] - [ -0.0008701800000000, -0.0015063100000000, 0.0013385800000000 ] - [ -0.0010303100000000, 0.0000351500000000, 0.0001818200000000 ] - [ -0.0009220300000000, -0.0011963700000000, 0.0000119100000000 ] - [ -0.0008494400000000, -0.0005126300000000, 0.0001667500000000 ] - [ -0.0008679100000000, -0.0010793300000000, 0.0016166100000000 ] - [ 0.0007148100000000, 0.0000044000000000, -0.0001072700000000 ] - [ 0.0006340400000000, -0.0006219400000000, -0.0004475800000000 ] - [ 0.0004106000000000, -0.0003570700000000, -0.0000349100000000 ] - [ -0.0006351300000000, 0.0007547600000000, 0.0001231600000000 ] - [ -0.0015230200000000, 0.0012058000000000, -0.0001945300000000 ] - [ -0.0007908500000000, -0.0003324700000000, 0.0002045600000000 ] - [ -0.0007403700000000, -0.0004341400000000, 0.0002670800000000 ] - [ 0.0003133600000000, -0.0006570900000000, -0.0005748100000000 ] - [ -0.0021963200000000, -0.0007865900000000, -0.0018390100000000 ] - [ -0.0004775300000000, 0.0002765200000000, -0.0001809800000000 ] - [ -0.0003182200000000, 0.0003225200000000, -0.0001887100000000 ] - [ 0.0004289400000000, 0.0005251700000000, 0.0000415100000000 ] - [ 0.0001335200000000, 0.0001968100000000, 0.0001336600000000 ] - [ -0.0013441400000000, 0.0007366900000000, 0.0013245100000000 ] - [ 0.0006933100000000, -0.0000781400000000, 0.0002591300000000 ] - [ -0.0002354300000000, -0.0005397800000000, -0.0001248200000000 ] - [ -0.0001322000000000, -0.0005176800000000, -0.0006337700000000 ] - [ 0.0000249300000000, 0.0004749000000000, -0.0002607100000000 ] - [ 0.0000401000000000, 0.0004792100000000, -0.0001741600000000 ] - [ -0.0002595400000000, 0.0009092900000000, -0.0002357900000000 ] - [ 0.0001088300000000, 0.0001577200000000, -0.0003029100000000 ] - [ 0.0016766500000000, 0.0050805600000000, 0.0004031900000000 ] - [ -0.0002157000000000, -0.0001560000000000, -0.0001191700000000 ] - [ -0.0074831300000000, -0.0350277500000000, 0.0023996800000000 ] - [ -0.0000281100000000, -0.0003757000000000, 0.0000863400000000 ] - [ -0.0000403600000000, 0.0009041000000000, 0.0000079700000000 ] - [ -0.0000558400000000, 0.0006749700000000, 0.0000347200000000 ] - [ 0.0000390300000000, -0.0001120200000000, -0.0001471700000000 ] - [ -0.0000169500000000, -0.0002276100000000, 0.0000689600000000 ] - [ -0.0001245200000000, -0.0000118800000000, 0.0000448100000000 ] - [ -0.0001149600000000, 0.0000955900000000, -0.0000857200000000 ] - [ -0.0011446600000000, -0.0028914000000000, -0.0001410500000000 ] - [ 0.0013160700000000, -0.0024135000000000, -0.0005785600000000 ] - [ 0.0000143000000000, 0.0002373300000000, -0.0001384400000000 ] - [ -0.0000265700000000, 0.0001388300000000, -0.0001142900000000 ] - [ -0.0000100400000000, 0.0004948900000000, 0.0000349700000000 ] - [ -0.0001533200000000, 0.0007318000000000, -0.0007065200000000 ] - [ 0.0000794600000000, 0.0004961400000000, -0.0003427100000000 ] - [ -0.0000124400000000, 0.0007317800000000, 0.0001624800000000 ] - [ 0.0000772900000000, -0.0008578700000000, 0.0004588200000000 ] - [ 0.0000675800000000, -0.0015308800000000, -0.0012161000000000 ] - [ 0.0000557600000000, 0.0000890000000000, 0.0003465000000000 ] - [ 0.0000632600000000, 0.0001595500000000, 0.0004370600000000 ] - [ 0.0007396600000000, 0.0002386200000000, 0.0006365900000000 ] - [ -0.0021885500000000, 0.0016136800000000, 0.0013581600000000 ] - [ -0.0001924500000000, 0.0007406000000000, 0.0003283400000000 ] - [ 0.0002010500000000, 0.0008097000000000, 0.0002300400000000 ] - [ 0.0012322300000000, 0.0003211000000000, -0.0024731600000000 ] - [ 0.0001383400000000, -0.0002841200000000, 0.0002968800000000 ] - [ 0.0001352800000000, 0.0005198400000000, 0.0003198900000000 ] - [ 0.0002411300000000, 0.0004268400000000, 0.0002025000000000 ] - [ 0.0007741900000000, 0.0017401200000000, 0.0031943400000000 ] - [ -0.0005003300000000, -0.0001568500000000, -0.0002702200000000 ] - [ -0.0002925500000000, 0.0006562700000000, -0.0004133200000000 ] - [ -0.0003473400000000, 0.0004134200000000, -0.0002737300000000 ] - [ 0.0077199300000000, 0.0108278100000000, -0.0028774600000000 ] - [ 0.0000565500000000, 0.0001672500000000, 0.0000425100000000 ] - [ 0.0000729600000000, 0.0020134300000000, 0.0007264600000000 ] - [ 0.0002193900000000, 0.0010301100000000, 0.0000234500000000 ] - [ 0.0000831100000000, -0.0015349900000000, 0.0004065200000000 ] - [ 0.0022671000000000, -0.0009313100000000, 0.0041410600000000 ] - [ -0.0000095500000000, 0.0009459100000000, 0.0000034900000000 ] - [ -0.0001691500000000, 0.0010608100000000, -0.0001027400000000 ] - [ 0.0004793600000000, 0.0019285000000000, 0.0011891900000000 ] - [ -0.0004822000000000, 0.0005139100000000, 0.0000205400000000 ] - [ -0.0028291800000000, 0.0047792300000000, -0.0017458000000000 ] - [ 0.0011538100000000, -0.0000095500000000, 0.0003508500000000 ] - [ -0.0002677100000000, -0.0014238300000000, 0.0015706100000000 ] - [ 0.0006134900000000, -0.0023677300000000, 0.0003380300000000 ] - [ 0.0001818700000000, 0.0006343600000000, -0.0001167200000000 ] - [ 0.0001127000000000, 0.0007078300000000, -0.0001161000000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010411400000000, -0.0033292800000000, -0.0012757600000000 ] - [ 0.0005382700000000, -0.0010051200000000, -0.0001111900000000 ] - [ 0.0005046600000000, 0.0005927500000000, -0.0001071000000000 ] - [ 0.0004577800000000, 0.0005503300000000, -0.0000690200000000 ] - [ -0.0033554300000000, -0.0058965100000000, 0.0005234100000000 ] - [ -0.0005339000000000, -0.0008702400000000, -0.0000643100000000 ] - [ -0.0002609900000000, 0.0009519500000000, -0.0001775900000000 ] - [ -0.0000176200000000, 0.0004422300000000, -0.0001834700000000 ] - [ 0.0008029300000000, -0.0016910400000000, 0.0007338500000000 ] - [ 0.0009948600000000, -0.0022420300000000, 0.0012213600000000 ] - [ 0.0003200800000000, 0.0009803900000000, -0.0007328000000000 ] - [ 0.0002966400000000, 0.0010556300000000, -0.0008036000000000 ] - [ 0.0016759900000000, 0.0023791700000000, 0.0011818900000000 ] - [ 0.0002336800000000, 0.0000498400000000, -0.0003372700000000 ] - [ 0.0002301600000000, 0.0021120900000000, 0.0004758200000000 ] - [ 0.0007452300000000, 0.0003839600000000, -0.0000123900000000 ] - [ 0.0000867500000000, 0.0006213500000000, 0.0002764500000000 ] - [ -0.0001456000000000, 0.0006462100000000, 0.0002108200000000 ] - [ -0.0004671100000000, -0.0005862200000000, 0.0001091200000000 ] - [ 0.0002701800000000, 0.0000305000000000, 0.0007395600000000 ] - [ 0.0033136400000000, -0.0089156300000000, 0.0031555000000000 ] - [ 0.0001999400000000, -0.0004940800000000, 0.0003691500000000 ] - [ -0.0002260400000000, 0.0011264300000000, 0.0002757800000000 ] - [ -0.0003099100000000, 0.0005439400000000, 0.0001013900000000 ] - [ 0.0009001700000000, -0.0012091500000000, 0.0000845700000000 ] - [ 0.0008077500000000, -0.0011680200000000, 0.0029680600000000 ] - [ 0.0005963400000000, -0.0001799600000000, 0.0001763800000000 ] - [ 0.0005179300000000, 0.0000142700000000, 0.0000324900000000 ] - [ 0.0012025100000000, 0.0012355100000000, 0.0003597500000000 ] - [ 0.0002814400000000, 0.0011980400000000, 0.0002995800000000 ] - [ -0.0011873200000000, 0.0011822100000000, -0.0001166600000000 ] - [ 0.0021348200000000, 0.0009989400000000, -0.0003597100000000 ] - [ -0.0008434100000000, -0.0007482000000000, 0.0001375800000000 ] - [ -0.0029896700000000, -0.0036750800000000, -0.0016510200000000 ] - [ -0.0005375300000000, 0.0008154100000000, -0.0000314900000000 ] - [ -0.0006652800000000, 0.0009114600000000, -0.0000759100000000 ] - [ -0.0004807000000000, 0.0004177700000000, 0.0004374000000000 ] - [ -0.0006842400000000, -0.0000399200000000, -0.0001930800000000 ] - [ -0.0007568900000000, 0.0010135500000000, -0.0014986500000000 ] - [ -0.0003469700000000, -0.0001245000000000, -0.0001125900000000 ] - [ -0.0003007300000000, -0.0003717900000000, 0.0003068500000000 ] - [ -0.0002847200000000, -0.0006855800000000, -0.0006428600000000 ] - [ 0.0001955700000000, 0.0007804400000000, -0.0000824000000000 ] - [ 0.0001379400000000, 0.0008453900000000, 0.0000362100000000 ] - [ -0.0008350800000000, 0.0014000000000000, -0.0009643200000000 ] - [ -0.0006733400000000, -0.0003191700000000, 0.0002300500000000 ] - [ -0.0007817500000000, 0.0009166800000000, 0.0004016400000000 ] - [ -0.0008547000000000, 0.0002256000000000, 0.0002438500000000 ] - [ 0.0018424200000000, 0.0010878100000000, -0.0018404500000000 ] - [ 0.0002668400000000, 0.0000092400000000, -0.0001265100000000 ] - [ 0.0003460700000000, 0.0006338900000000, 0.0002186500000000 ] - [ 0.0005693000000000, 0.0003660100000000, -0.0001961900000000 ] - [ -0.0010753500000000, -0.0004649800000000, 0.0002949600000000 ] - [ -0.0001852100000000, -0.0009167700000000, 0.0006046700000000 ] - [ -0.0009128100000000, 0.0006177000000000, 0.0002074100000000 ] - [ -0.0009690800000000, 0.0007192500000000, 0.0001446200000000 ] - [ -0.0010370400000000, 0.0004557400000000, 0.0000609700000000 ] - [ 0.0014687700000000, 0.0005730000000000, 0.0013253900000000 ] - [ -0.0002466600000000, -0.0004752800000000, -0.0003312700000000 ] - [ -0.0004075000000000, -0.0005217300000000, -0.0003239300000000 ] - [ 0.0000323200000000, -0.0007143800000000, 0.0003241000000000 ] - [ 0.0003273000000000, -0.0003868600000000, 0.0002326400000000 ] - [ 0.0018172900000000, -0.0009288500000000, -0.0009668700000000 ] - [ -0.0002317300000000, -0.0001080200000000, 0.0001055100000000 ] - [ 0.0002248500000000, 0.0007155100000000, -0.0003836300000000 ] - [ 0.0001225400000000, 0.0006916100000000, 0.0001274500000000 ] - [ -0.0000360200000000, -0.0003019400000000, -0.0002472300000000 ] - [ -0.0000505900000000, -0.0003062800000000, -0.0003337900000000 ] - [ 0.0002476600000000, -0.0010785800000000, -0.0002728200000000 ] - [ -0.0001187900000000, -0.0003310600000000, -0.0002054800000000 ] - [ -0.0017110300000000, -0.0053138000000000, -0.0009198900000000 ] - [ 0.0002056500000000, -0.0000151300000000, -0.0003890300000000 ] - [ 0.0068897700000000, 0.0356336700000000, -0.0024286000000000 ] - [ -0.0000966100000000, 0.0008994500000000, -0.0000078300000000 ] - [ -0.0000859200000000, -0.0003798900000000, 0.0000712500000000 ] - [ -0.0000693800000000, -0.0001503600000000, 0.0000443200000000 ] - [ -0.0001644300000000, -0.0004147400000000, 0.0002251600000000 ] - [ -0.0001084000000000, -0.0002976500000000, 0.0000102300000000 ] - [ -0.0000012100000000, -0.0005120900000000, 0.0000336600000000 ] - [ -0.0000109300000000, -0.0006185200000000, 0.0001648400000000 ] - [ 0.0010959400000000, 0.0022429200000000, -0.0000866600000000 ] - [ -0.0013172800000000, 0.0017715800000000, 0.0003481400000000 ] - [ -0.0000443600000000, -0.0008925400000000, -0.0000849800000000 ] - [ -0.0000037900000000, -0.0007942400000000, -0.0001100800000000 ] - [ -0.0000206100000000, 0.0001592500000000, -0.0002582300000000 ] - [ 0.0001230300000000, -0.0000758100000000, 0.0004809600000000 ] - [ -0.0001089300000000, 0.0001602800000000, 0.0001191600000000 ] - [ -0.0000188000000000, -0.0000745300000000, -0.0003885900000000 ] - [ -0.0000322800000000, 0.0002911200000000, 0.0002402000000000 ] - [ -0.0000227700000000, 0.0009548100000000, 0.0019190000000000 ] - [ -0.0000098800000000, -0.0006535300000000, 0.0003528800000000 ] - [ -0.0000172200000000, -0.0007249500000000, 0.0002611900000000 ] - [ -0.0006905900000000, 0.0003257400000000, 0.0000630400000000 ] - [ 0.0022164000000000, -0.0010439400000000, -0.0006507100000000 ] - [ 0.0002389900000000, -0.0001748800000000, 0.0003713100000000 ] - [ -0.0001567500000000, -0.0002459700000000, 0.0004697900000000 ] - [ -0.0007754100000000, -0.0001230900000000, 0.0028519000000000 ] - [ 0.0003226400000000, 0.0004748000000000, 0.0000698200000000 ] - [ 0.0003255700000000, -0.0003296900000000, 0.0000465000000000 ] - [ 0.0002203200000000, -0.0002368300000000, 0.0001636500000000 ] - [ -0.0014913000000000, -0.0015397400000000, -0.0036769600000000 ] - [ -0.0002239600000000, 0.0003541300000000, -0.0002417400000000 ] - [ -0.0004319500000000, -0.0004571200000000, -0.0000979600000000 ] - [ -0.0003775400000000, -0.0002139200000000, -0.0002384200000000 ] - [ -0.0072384800000000, -0.0100607400000000, 0.0028075200000000 ] - [ 0.0003282800000000, 0.0004468800000000, -0.0000595000000000 ] - [ 0.0003177400000000, -0.0013991800000000, -0.0007437200000000 ] - [ 0.0001680800000000, -0.0004079700000000, -0.0000398100000000 ] - [ -0.0001512200000000, 0.0015804000000000, -0.0002357300000000 ] - [ -0.0023600100000000, 0.0009889700000000, -0.0039529000000000 ] - [ -0.0000602800000000, -0.0009089400000000, 0.0001721800000000 ] - [ 0.0000926400000000, -0.0010230400000000, 0.0002774700000000 ] - [ -0.0005496100000000, -0.0019587400000000, -0.0010103500000000 ] - [ 0.0004054000000000, -0.0005500400000000, 0.0001526400000000 ] - [ 0.0027769100000000, -0.0048269700000000, 0.0019445700000000 ] - [ -0.0012281800000000, -0.0000246700000000, -0.0001804500000000 ] - [ 0.0006605400000000, 0.0007908800000000, -0.0016118300000000 ] - [ -0.0002253600000000, 0.0017413100000000, -0.0003505400000000 ] - [ 0.0002050400000000, -0.0012534200000000, 0.0001008200000000 ] - [ 0.0002694200000000, -0.0013251000000000, 0.0000987300000000 ]- atom: 73 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ -0.0037764000000000, 0.0014317100000000, 0.0080312000000000 ] - [ 0.0007341000000000, 0.0001109500000000, -0.0001014500000000 ] - [ 0.0004632500000000, 0.0000294200000000, -0.0001022400000000 ] - [ 0.0005156900000000, -0.0000023400000000, -0.0001531900000000 ] - [ -0.0050968500000000, -0.0027019200000000, 0.0020321100000000 ] - [ 0.0008102400000000, -0.0008157900000000, 0.0005216400000000 ] - [ 0.0000313500000000, -0.0001463700000000, -0.0000446600000000 ] - [ 0.0000315300000000, -0.0000714700000000, -0.0000610400000000 ] - [ 0.0005663600000000, 0.0013596800000000, -0.0029758000000000 ] - [ -0.0004737500000000, 0.0004961300000000, -0.0009569600000000 ] - [ 0.0004589900000000, 0.0001355100000000, -0.0003627400000000 ] - [ 0.0004242700000000, 0.0001548100000000, -0.0003689000000000 ] - [ 0.0005544100000000, 0.0012241800000000, 0.0007465500000000 ] - [ 0.0006280500000000, -0.0003991700000000, -0.0003854700000000 ] - [ 0.0003976200000000, 0.0000411500000000, -0.0000380100000000 ] - [ 0.0006763100000000, 0.0002426800000000, -0.0000702200000000 ] - [ -0.0000521200000000, -0.0000838100000000, 0.0001213400000000 ] - [ -0.0002337800000000, 0.0000556600000000, 0.0002291500000000 ] - [ 0.0002713500000000, 0.0002369200000000, -0.0004405300000000 ] - [ -0.0011926300000000, -0.0003980300000000, 0.0001559800000000 ] - [ -0.0010530100000000, -0.0005451400000000, 0.0022870300000000 ] - [ 0.0006069200000000, 0.0004882000000000, 0.0001317400000000 ] - [ -0.0002089800000000, 0.0002412000000000, 0.0003854400000000 ] - [ -0.0000585100000000, -0.0000783000000000, 0.0002180600000000 ] - [ 0.0006524800000000, -0.0004291000000000, -0.0002909400000000 ] - [ -0.0010370700000000, -0.0027483300000000, -0.0026259100000000 ] - [ 0.0006502300000000, -0.0006679900000000, 0.0001469300000000 ] - [ 0.0006185400000000, -0.0005251600000000, 0.0001158600000000 ] - [ 0.0007365200000000, 0.0007717500000000, 0.0003001800000000 ] - [ 0.0006836200000000, 0.0003500300000000, 0.0001769000000000 ] - [ 0.0003269700000000, 0.0004439500000000, 0.0002088500000000 ] - [ 0.0015369400000000, 0.0016408100000000, 0.0001752500000000 ] - [ 0.0005811500000000, 0.0000113900000000, -0.0010418000000000 ] - [ -0.0018944000000000, 0.0003475900000000, 0.0021971900000000 ] - [ -0.0005163500000000, 0.0002728600000000, -0.0001247100000000 ] - [ -0.0006559000000000, 0.0003116000000000, -0.0000127200000000 ] - [ -0.0008340600000000, -0.0005724300000000, 0.0002751200000000 ] - [ -0.0004309000000000, -0.0003218100000000, -0.0002049100000000 ] - [ -0.0010214700000000, -0.0000999200000000, 0.0001235800000000 ] - [ -0.0001759400000000, -0.0001958800000000, -0.0006197600000000 ] - [ 0.0000021000000000, -0.0012422400000000, -0.0020049600000000 ] - [ -0.0004039200000000, 0.0004022200000000, -0.0004916900000000 ] - [ 0.0000464000000000, 0.0002298000000000, -0.0001170000000000 ] - [ -0.0000142700000000, 0.0000539500000000, -0.0001719600000000 ] - [ -0.0028141100000000, 0.0009667600000000, 0.0020109900000000 ] - [ -0.0003191900000000, -0.0002076200000000, 0.0001297900000000 ] - [ -0.0009379700000000, -0.0001340900000000, 0.0003196000000000 ] - [ -0.0007637200000000, -0.0000922000000000, 0.0002312400000000 ] - [ 0.0007022900000000, 0.0010367300000000, -0.0007579900000000 ] - [ 0.0003474300000000, -0.0001430800000000, 0.0000165200000000 ] - [ 0.0005206700000000, -0.0002777200000000, -0.0000481500000000 ] - [ 0.0004233400000000, 0.0000167400000000, -0.0000307500000000 ] - [ 0.0014927700000000, -0.0002639100000000, -0.0015575600000000 ] - [ -0.0019099500000000, 0.0002355600000000, 0.0000932700000000 ] - [ -0.0008176100000000, 0.0001676900000000, 0.0001692300000000 ] - [ -0.0008991500000000, 0.0001437000000000, 0.0002029100000000 ] - [ -0.0014189800000000, -0.0003957200000000, 0.0004856900000000 ] - [ 0.0007836900000000, -0.0003481100000000, -0.0007700100000000 ] - [ -0.0004082700000000, -0.0000963700000000, -0.0002367000000000 ] - [ -0.0003212800000000, -0.0000981000000000, -0.0002929900000000 ] - [ 0.0001436200000000, -0.0002748600000000, 0.0002333500000000 ] - [ 0.0002895300000000, -0.0000587800000000, 0.0001456400000000 ] - [ -0.0008955200000000, 0.0016022600000000, 0.0004866700000000 ] - [ 0.0003403100000000, -0.0001663400000000, -0.0000874100000000 ] - [ -0.0008456500000000, -0.0000686100000000, 0.0006087000000000 ] - [ 0.0005274400000000, -0.0000257200000000, -0.0000856600000000 ] - [ -0.0000432700000000, 0.0000897400000000, -0.0002010600000000 ] - [ 0.0000330700000000, 0.0000873100000000, -0.0002818100000000 ] - [ 0.0001781300000000, -0.0001853800000000, -0.0003779700000000 ] - [ -0.0001232000000000, -0.0000961200000000, -0.0002188700000000 ] - [ 0.0006595700000000, -0.0005006000000000, -0.0014864300000000 ] - [ -0.0001925200000000, -0.0000340300000000, -0.0002613100000000 ] - [ 0.0187564000000000, 0.0060997200000000, -0.0203160900000000 ] - [ -0.0005495900000000, 0.0002823900000000, 0.0000418200000000 ] - [ -0.0000330000000000, 0.0002234400000000, 0.0000196700000000 ] - [ -0.0000935100000000, 0.0002547900000000, 0.0000472500000000 ] - [ -0.0003784900000000, -0.0000507200000000, 0.0003746500000000 ] - [ 0.0001317600000000, -0.0002610300000000, 0.0000322000000000 ] - [ -0.0001961200000000, -0.0003027000000000, 0.0002108500000000 ] - [ 0.0000563200000000, -0.0001879000000000, 0.0000776400000000 ] - [ -0.0020492500000000, 0.0002768600000000, -0.0020836100000000 ] - [ -0.0051947100000000, -0.0014568600000000, -0.0005062600000000 ] - [ -0.0000414900000000, -0.0003671500000000, -0.0001096900000000 ] - [ 0.0000068200000000, -0.0003232000000000, -0.0001320400000000 ] - [ 0.0000670200000000, 0.0005729900000000, 0.0000057800000000 ] - [ 0.0000154400000000, 0.0001021100000000, 0.0000810400000000 ] - [ 0.0000421500000000, 0.0002090500000000, -0.0000115000000000 ] - [ -0.0000179300000000, 0.0007422800000000, 0.0000585200000000 ] - [ 0.0003461500000000, -0.0002601400000000, 0.0007070200000000 ] - [ -0.0004581700000000, -0.0017604600000000, 0.0037819600000000 ] - [ 0.0000394100000000, -0.0002972400000000, 0.0003396200000000 ] - [ 0.0000047800000000, -0.0002609300000000, 0.0003686800000000 ] - [ -0.0002844900000000, 0.0000695900000000, 0.0001678500000000 ] - [ -0.0008987400000000, 0.0022085100000000, 0.0000469500000000 ] - [ -0.0000017300000000, 0.0002806300000000, 0.0003523000000000 ] - [ 0.0000614000000000, 0.0001457200000000, 0.0003055200000000 ] - [ 0.0000998700000000, -0.0025093600000000, 0.0024863000000000 ] - [ 0.0001478100000000, 0.0002233300000000, 0.0005268500000000 ] - [ 0.0002789700000000, 0.0001554400000000, 0.0001436800000000 ] - [ 0.0001844300000000, 0.0000735200000000, 0.0002107000000000 ] - [ 0.0015499900000000, 0.0022853500000000, 0.0002187500000000 ] - [ -0.0007909100000000, 0.0001712400000000, -0.0000483500000000 ] - [ -0.0003209500000000, 0.0000453900000000, -0.0002803200000000 ] - [ -0.0004130800000000, 0.0000634300000000, -0.0002046600000000 ] - [ -0.0001723200000000, -0.0066178700000000, 0.0000015900000000 ] - [ -0.0002882500000000, 0.0008694800000000, -0.0002820700000000 ] - [ 0.0002861700000000, 0.0003929800000000, -0.0002759400000000 ] - [ 0.0001364700000000, 0.0001152900000000, -0.0002211200000000 ] - [ -0.0002735100000000, -0.0008064200000000, 0.0020300300000000 ] - [ 0.0048245800000000, 0.0011084200000000, 0.0015457200000000 ] - [ -0.0000808800000000, 0.0000505600000000, 0.0001654800000000 ] - [ 0.0000307000000000, -0.0000691600000000, 0.0000711800000000 ] - [ -0.0000484300000000, -0.0004097800000000, -0.0007772800000000 ] - [ -0.0001929200000000, 0.0002003000000000, 0.0002618800000000 ] - [ 0.0004797000000000, -0.0003139700000000, -0.0001206500000000 ] - [ -0.0009851700000000, -0.0005895100000000, 0.0003627700000000 ] - [ -0.0028336600000000, 0.0011250900000000, 0.0065685300000000 ] - [ 0.0010472900000000, -0.0007723700000000, 0.0004814700000000 ] - [ 0.0001615800000000, -0.0003719100000000, -0.0000110900000000 ] - [ 0.0002355200000000, -0.0002773100000000, 0.0000349500000000 ]- atom: 73 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0044362700000000, -0.0012846400000000, -0.0076613800000000 ] - [ 0.0002506000000000, -0.0001244400000000, -0.0001461000000000 ] - [ 0.0005181100000000, -0.0000429500000000, -0.0001390000000000 ] - [ 0.0004657600000000, -0.0000107900000000, -0.0000884300000000 ] - [ 0.0052847700000000, 0.0025325800000000, -0.0022122000000000 ] - [ -0.0007428300000000, 0.0005041500000000, -0.0007133300000000 ] - [ 0.0000206200000000, -0.0001400600000000, -0.0001614900000000 ] - [ 0.0000302700000000, -0.0002311900000000, -0.0001374900000000 ] - [ 0.0003406000000000, -0.0011239100000000, 0.0022942400000000 ] - [ 0.0013830600000000, -0.0002566500000000, 0.0002740800000000 ] - [ 0.0004501100000000, 0.0000890600000000, -0.0003041900000000 ] - [ 0.0004830100000000, 0.0000772200000000, -0.0003037400000000 ] - [ 0.0003500300000000, -0.0014564500000000, -0.0014215300000000 ] - [ 0.0002811700000000, 0.0001679600000000, -0.0002841400000000 ] - [ 0.0005039300000000, -0.0003032600000000, -0.0006584900000000 ] - [ 0.0002318500000000, -0.0004726800000000, -0.0005998400000000 ] - [ -0.0002249200000000, 0.0000799100000000, 0.0003379500000000 ] - [ -0.0000546300000000, -0.0000751500000000, 0.0002221100000000 ] - [ -0.0005554000000000, -0.0002463100000000, 0.0008940100000000 ] - [ 0.0009098700000000, 0.0003792500000000, 0.0002910100000000 ] - [ 0.0007434700000000, 0.0006069500000000, -0.0018452400000000 ] - [ -0.0008897700000000, -0.0004658600000000, 0.0003218500000000 ] - [ -0.0000789600000000, -0.0002230400000000, 0.0000699500000000 ] - [ -0.0002266500000000, 0.0000926100000000, 0.0002354300000000 ] - [ 0.0006266900000000, -0.0007974600000000, 0.0006024200000000 ] - [ 0.0023428700000000, 0.0015262000000000, 0.0029252100000000 ] - [ 0.0006213000000000, -0.0005596000000000, 0.0001652700000000 ] - [ 0.0006733300000000, -0.0007048100000000, 0.0001964000000000 ] - [ 0.0005560900000000, 0.0004590100000000, 0.0000129500000000 ] - [ 0.0006038500000000, 0.0008763300000000, 0.0001353800000000 ] - [ 0.0009869700000000, 0.0007839400000000, 0.0001048400000000 ] - [ -0.0002422200000000, -0.0004027500000000, 0.0001414800000000 ] - [ -0.0017608000000000, 0.0005196100000000, 0.0009137600000000 ] - [ 0.0007271300000000, 0.0001885900000000, -0.0023066000000000 ] - [ -0.0006517800000000, 0.0002515500000000, -0.0000131600000000 ] - [ -0.0005195700000000, 0.0002190400000000, -0.0001030100000000 ] - [ -0.0003447800000000, 0.0000388100000000, -0.0003903400000000 ] - [ -0.0007427100000000, -0.0002099200000000, 0.0000856200000000 ] - [ -0.0001631300000000, -0.0004399600000000, -0.0002167100000000 ] - [ -0.0009977100000000, -0.0003334100000000, 0.0004998100000000 ] - [ 0.0000569900000000, 0.0015351500000000, 0.0017965200000000 ] - [ 0.0004722000000000, -0.0000953400000000, 0.0002941500000000 ] - [ 0.0000156600000000, 0.0000715200000000, -0.0000828000000000 ] - [ 0.0000748200000000, 0.0002462900000000, -0.0000292300000000 ] - [ 0.0011139900000000, -0.0012451200000000, -0.0015992800000000 ] - [ -0.0013924400000000, -0.0000804000000000, 0.0002782300000000 ] - [ -0.0007484600000000, -0.0001524400000000, 0.0000904500000000 ] - [ -0.0009418600000000, -0.0001942500000000, 0.0001789100000000 ] - [ 0.0002803400000000, -0.0010272800000000, 0.0005098300000000 ] - [ 0.0006339800000000, 0.0001577600000000, -0.0002644700000000 ] - [ 0.0004534300000000, 0.0002857900000000, -0.0001756100000000 ] - [ 0.0005563500000000, -0.0000052700000000, -0.0002097100000000 ] - [ -0.0031999300000000, 0.0005487700000000, 0.0019674500000000 ] - [ 0.0001950300000000, 0.0000524400000000, 0.0003158600000000 ] - [ -0.0008913700000000, 0.0001185600000000, 0.0002398300000000 ] - [ -0.0008079800000000, 0.0001425800000000, 0.0002071600000000 ] - [ 0.0006990000000000, 0.0002014200000000, -0.0009952600000000 ] - [ -0.0014971400000000, 0.0001390600000000, 0.0002680700000000 ] - [ -0.0003159800000000, -0.0001029500000000, -0.0002744400000000 ] - [ -0.0004025700000000, -0.0001006900000000, -0.0002183900000000 ] - [ 0.0003165500000000, 0.0000845100000000, 0.0001317900000000 ] - [ 0.0001708900000000, -0.0001309000000000, 0.0002190700000000 ] - [ 0.0013546000000000, -0.0018020500000000, -0.0001174100000000 ] - [ 0.0001243400000000, -0.0000229200000000, 0.0004509500000000 ] - [ 0.0008320600000000, 0.0002352800000000, -0.0011168300000000 ] - [ -0.0005341800000000, 0.0001941700000000, -0.0004238000000000 ] - [ 0.0000329000000000, 0.0000810600000000, -0.0003070000000000 ] - [ -0.0000430900000000, 0.0000832000000000, -0.0002270400000000 ] - [ -0.0001875000000000, 0.0000142300000000, -0.0001312100000000 ] - [ 0.0001124200000000, -0.0000736800000000, -0.0002898000000000 ] - [ -0.0006612900000000, 0.0003533600000000, 0.0009748200000000 ] - [ 0.0001815300000000, -0.0001376700000000, -0.0002465700000000 ] - [ -0.0186174200000000, -0.0059568000000000, 0.0197030200000000 ] - [ 0.0004209300000000, 0.0002422500000000, 0.0000364800000000 ] - [ -0.0000940300000000, 0.0003011000000000, 0.0000584900000000 ] - [ -0.0000337000000000, 0.0002697100000000, 0.0000308700000000 ] - [ 0.0002504200000000, -0.0004716500000000, -0.0002953200000000 ] - [ -0.0002580600000000, -0.0002634800000000, 0.0000458900000000 ] - [ 0.0000687000000000, -0.0002234800000000, -0.0001319500000000 ] - [ -0.0001831700000000, -0.0003359500000000, 0.0000005200000000 ] - [ 0.0020051300000000, -0.0009341200000000, 0.0018705000000000 ] - [ 0.0051150600000000, 0.0007877700000000, 0.0002645100000000 ] - [ 0.0000118000000000, -0.0002888900000000, -0.0001137400000000 ] - [ -0.0000361600000000, -0.0003322400000000, -0.0000917400000000 ] - [ -0.0000960900000000, 0.0000846200000000, -0.0002292100000000 ] - [ -0.0000455000000000, 0.0005540800000000, -0.0003038100000000 ] - [ -0.0000702400000000, 0.0004448100000000, -0.0002120900000000 ] - [ -0.0000133200000000, -0.0000865900000000, -0.0002811200000000 ] - [ -0.0002977500000000, -0.0003025100000000, -0.0000051000000000 ] - [ 0.0004978400000000, 0.0012110000000000, -0.0031101100000000 ] - [ 0.0000056800000000, -0.0002655200000000, 0.0003595600000000 ] - [ 0.0000397700000000, -0.0003018300000000, 0.0003310200000000 ] - [ 0.0003275800000000, 0.0004927000000000, 0.0005317600000000 ] - [ 0.0009403500000000, -0.0016333200000000, 0.0006455600000000 ] - [ 0.0000458400000000, 0.0002829000000000, 0.0003472600000000 ] - [ -0.0000154600000000, 0.0004164600000000, 0.0003928100000000 ] - [ 0.0003655100000000, 0.0026708900000000, -0.0021058900000000 ] - [ 0.0003099600000000, -0.0000341000000000, -0.0001608200000000 ] - [ 0.0001815300000000, 0.0000351100000000, 0.0002208100000000 ] - [ 0.0002751800000000, 0.0001165500000000, 0.0001544900000000 ] - [ -0.0022599300000000, -0.0020777000000000, -0.0007376400000000 ] - [ 0.0000642200000000, 0.0000292200000000, -0.0004636500000000 ] - [ -0.0004024700000000, 0.0001546300000000, -0.0002315900000000 ] - [ -0.0003118200000000, 0.0001351100000000, -0.0003067300000000 ] - [ 0.0005575600000000, 0.0072327800000000, -0.0000002100000000 ] - [ 0.0006789800000000, -0.0002546500000000, 0.0002585900000000 ] - [ 0.0001029400000000, 0.0002208900000000, 0.0002574600000000 ] - [ 0.0002472800000000, 0.0004967800000000, 0.0001977400000000 ] - [ 0.0002095300000000, 0.0008278800000000, -0.0018452000000000 ] - [ -0.0049201400000000, -0.0010810200000000, -0.0013288300000000 ] - [ 0.0000112200000000, -0.0000231000000000, 0.0000185400000000 ] - [ -0.0001007600000000, 0.0001030800000000, 0.0001076500000000 ] - [ -0.0000266100000000, 0.0003885800000000, 0.0009617900000000 ] - [ 0.0001256000000000, -0.0002229200000000, -0.0000754900000000 ] - [ -0.0005556000000000, 0.0003139800000000, 0.0002987100000000 ] - [ 0.0009086000000000, 0.0005535700000000, -0.0001844200000000 ] - [ 0.0031847800000000, -0.0017197300000000, -0.0065353000000000 ] - [ -0.0006622500000000, 0.0001540500000000, -0.0005020100000000 ] - [ 0.0002237500000000, -0.0002420100000000, -0.0000122300000000 ] - [ 0.0001456200000000, -0.0003305500000000, -0.0000614400000000 ]- atom: 81 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ -0.0009084000000000, 0.0004256000000000, 0.0011820300000000 ] - [ 0.0078599200000000, 0.0022970600000000, 0.0027937200000000 ] - [ 0.0004128700000000, -0.0000213700000000, -0.0000781700000000 ] - [ 0.0005739300000000, -0.0000099700000000, -0.0001507200000000 ] - [ 0.0042846900000000, -0.0036216200000000, 0.0016429300000000 ] - [ -0.0009496800000000, -0.0008218600000000, 0.0000121300000000 ] - [ 0.0001444100000000, -0.0004574000000000, -0.0001697900000000 ] - [ -0.0000748600000000, -0.0000006500000000, -0.0000878300000000 ] - [ 0.0005238200000000, -0.0006694900000000, 0.0012910300000000 ] - [ 0.0003532900000000, 0.0009660000000000, -0.0023484900000000 ] - [ 0.0004627400000000, 0.0000843700000000, -0.0002974600000000 ] - [ 0.0004563100000000, 0.0000960900000000, -0.0003432200000000 ] - [ 0.0006950800000000, 0.0011171500000000, 0.0002754900000000 ] - [ 0.0001548500000000, -0.0006635100000000, -0.0006676200000000 ] - [ 0.0007367700000000, -0.0017211200000000, -0.0009379700000000 ] - [ 0.0002683400000000, 0.0004087900000000, -0.0001312400000000 ] - [ -0.0000681300000000, 0.0000042500000000, 0.0002366900000000 ] - [ -0.0002044500000000, -0.0000817000000000, 0.0001948200000000 ] - [ 0.0001808100000000, 0.0008078400000000, 0.0011838600000000 ] - [ -0.0001826500000000, 0.0000608000000000, -0.0001818100000000 ] - [ 0.0087022800000000, 0.0037325400000000, 0.0001401300000000 ] - [ -0.0017556900000000, 0.0012241100000000, -0.0001430700000000 ] - [ -0.0001206400000000, 0.0002127500000000, 0.0003089800000000 ] - [ -0.0001678500000000, -0.0001210800000000, 0.0001952600000000 ] - [ 0.0000307800000000, -0.0003233300000000, 0.0011440100000000 ] - [ 0.0000093300000000, -0.0006930900000000, -0.0008968000000000 ] - [ 0.0006728200000000, -0.0006427900000000, 0.0002070300000000 ] - [ 0.0005812900000000, -0.0006058600000000, 0.0000895300000000 ] - [ 0.0010308700000000, 0.0005073400000000, 0.0002011000000000 ] - [ 0.0003987000000000, 0.0005732800000000, 0.0001434300000000 ] - [ 0.0045689000000000, 0.0006638800000000, 0.0002612800000000 ] - [ -0.0003711100000000, 0.0006898100000000, 0.0001595300000000 ] - [ 0.0032226200000000, -0.0003824500000000, -0.0028788000000000 ] - [ -0.0014417300000000, 0.0000411400000000, -0.0010541300000000 ] - [ -0.0005014100000000, 0.0002397700000000, -0.0000693900000000 ] - [ -0.0006654600000000, 0.0002510800000000, -0.0001005000000000 ] - [ -0.0004726000000000, -0.0000855300000000, 0.0001993000000000 ] - [ -0.0006955800000000, -0.0004434200000000, -0.0002025600000000 ] - [ -0.0000755300000000, -0.0014663800000000, 0.0010888500000000 ] - [ -0.0009422100000000, 0.0001848100000000, -0.0003531800000000 ] - [ -0.0001019100000000, 0.0001316600000000, 0.0004499700000000 ] - [ -0.0000199100000000, -0.0006929300000000, -0.0014073300000000 ] - [ -0.0000384700000000, 0.0001683400000000, -0.0000237400000000 ] - [ 0.0000842400000000, 0.0001674700000000, -0.0001548000000000 ] - [ -0.0016085900000000, 0.0006914800000000, -0.0001786600000000 ] - [ -0.0013502500000000, -0.0012000500000000, 0.0006847500000000 ] - [ -0.0010100600000000, -0.0003259600000000, 0.0001012100000000 ] - [ -0.0008228200000000, 0.0001400600000000, 0.0002689900000000 ] - [ 0.0006170400000000, 0.0006700600000000, -0.0010922200000000 ] - [ 0.0002109300000000, -0.0002295900000000, 0.0002389100000000 ] - [ 0.0005401800000000, -0.0001583800000000, -0.0004150600000000 ] - [ 0.0004095900000000, 0.0000850100000000, 0.0000632900000000 ] - [ -0.0013672000000000, 0.0001172200000000, 0.0003196900000000 ] - [ 0.0017136400000000, 0.0001971600000000, 0.0002559400000000 ] - [ -0.0009121300000000, 0.0001735300000000, 0.0001751400000000 ] - [ -0.0007787200000000, 0.0000922500000000, 0.0002526800000000 ] - [ -0.0014722900000000, 0.0006990200000000, -0.0009988500000000 ] - [ -0.0000137500000000, -0.0001465200000000, -0.0000283100000000 ] - [ -0.0004572700000000, -0.0001119600000000, -0.0002367900000000 ] - [ -0.0002906300000000, -0.0000921300000000, -0.0002582600000000 ] - [ 0.0001489800000000, -0.0002034400000000, 0.0002296300000000 ] - [ 0.0002973600000000, -0.0000054400000000, 0.0001547800000000 ] - [ -0.0009347800000000, 0.0011819600000000, 0.0017785800000000 ] - [ 0.0005843700000000, -0.0002059000000000, 0.0000123300000000 ] - [ 0.0000813900000000, 0.0001016800000000, -0.0000884000000000 ] - [ -0.0008702100000000, 0.0002252200000000, -0.0013096700000000 ] - [ 0.0000067100000000, 0.0000952900000000, -0.0002112100000000 ] - [ -0.0000232100000000, 0.0000996400000000, -0.0002936200000000 ] - [ 0.0001361900000000, -0.0002243600000000, -0.0002518400000000 ] - [ -0.0001046500000000, 0.0001041100000000, -0.0002662300000000 ] - [ 0.0007053300000000, 0.0004045700000000, -0.0000176700000000 ] - [ 0.0006622400000000, -0.0021225400000000, -0.0008395500000000 ] - [ 0.0063303700000000, -0.0008477600000000, 0.0019326500000000 ] - [ 0.0064869600000000, 0.0015889000000000, -0.0017939100000000 ] - [ -0.0000121400000000, 0.0002922200000000, 0.0000432200000000 ] - [ -0.0000981600000000, 0.0002506800000000, 0.0000430600000000 ] - [ -0.0000670900000000, -0.0002675200000000, 0.0001368700000000 ] - [ -0.0001736800000000, -0.0001239400000000, 0.0000016600000000 ] - [ -0.0000664700000000, -0.0003558300000000, 0.0001065200000000 ] - [ -0.0001746100000000, -0.0002658700000000, -0.0000378200000000 ] - [ -0.0382529700000000, -0.0075093300000000, -0.0035028700000000 ] - [ 0.0009046200000000, -0.0002940700000000, -0.0000744200000000 ] - [ -0.0000864000000000, -0.0003050600000000, -0.0001241500000000 ] - [ 0.0000425400000000, -0.0003214200000000, -0.0001096300000000 ] - [ -0.0000633400000000, 0.0003904400000000, -0.0003053500000000 ] - [ 0.0001098800000000, 0.0003798500000000, 0.0001165200000000 ] - [ 0.0001114500000000, 0.0002267600000000, -0.0004066500000000 ] - [ 0.0000123200000000, 0.0002813600000000, 0.0001414400000000 ] - [ 0.0001129900000000, -0.0002085200000000, -0.0001727900000000 ] - [ 0.0002929200000000, -0.0003319200000000, 0.0010823900000000 ] - [ 0.0000281800000000, -0.0002862300000000, 0.0002876500000000 ] - [ 0.0000291200000000, -0.0002634800000000, 0.0004151900000000 ] - [ -0.0013178400000000, 0.0021274300000000, 0.0003191700000000 ] - [ 0.0004819600000000, 0.0001643200000000, 0.0003396400000000 ] - [ -0.0001995100000000, 0.0002344300000000, 0.0003758300000000 ] - [ 0.0002003200000000, 0.0002830600000000, 0.0003169200000000 ] - [ 0.0011809900000000, 0.0004624400000000, -0.0006079900000000 ] - [ 0.0016056300000000, -0.0018342300000000, 0.0024232900000000 ] - [ 0.0002826800000000, 0.0000783400000000, 0.0001460900000000 ] - [ 0.0001939100000000, 0.0001501900000000, 0.0002109700000000 ] - [ 0.0000988200000000, -0.0013453200000000, -0.0012983100000000 ] - [ 0.0001998500000000, 0.0005865500000000, 0.0000282400000000 ] - [ -0.0003160900000000, 0.0002652700000000, -0.0003336900000000 ] - [ -0.0003853900000000, -0.0000074400000000, -0.0002045700000000 ] - [ 0.0013888000000000, -0.0027540900000000, 0.0011786400000000 ] - [ 0.0009926700000000, 0.0010926800000000, -0.0001986800000000 ] - [ 0.0003980600000000, 0.0009312200000000, 0.0006125300000000 ] - [ 0.0002880800000000, -0.0000291300000000, -0.0002841900000000 ] - [ 0.0009123100000000, -0.0006222900000000, -0.0033605900000000 ] - [ 0.0007472400000000, -0.0006490600000000, 0.0015516000000000 ] - [ -0.0001102800000000, 0.0000359200000000, 0.0000634000000000 ] - [ 0.0000432500000000, 0.0000676800000000, 0.0001329600000000 ] - [ -0.0005328500000000, -0.0005269200000000, -0.0003930800000000 ] - [ 0.0002185200000000, 0.0003480600000000, 0.0003089600000000 ] - [ -0.0031936300000000, 0.0074756400000000, -0.0021502200000000 ] - [ 0.0010825500000000, -0.0011248300000000, 0.0003931700000000 ] - [ 0.0006856700000000, -0.0001015400000000, -0.0016250600000000 ] - [ -0.0015309400000000, 0.0016887400000000, 0.0055507200000000 ] - [ 0.0002718000000000, -0.0003072600000000, -0.0000607700000000 ] - [ 0.0000981600000000, -0.0003014500000000, 0.0000133700000000 ]- atom: 81 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0019018800000000, -0.0004354100000000, -0.0014104900000000 ] - [ -0.0066195400000000, -0.0021431000000000, -0.0027798900000000 ] - [ 0.0005779100000000, 0.0000089100000000, -0.0001562500000000 ] - [ 0.0004191000000000, -0.0000032400000000, -0.0000875500000000 ] - [ -0.0042836700000000, 0.0034777100000000, -0.0019182400000000 ] - [ 0.0010027400000000, 0.0005209300000000, -0.0002156800000000 ] - [ -0.0000941900000000, 0.0001774900000000, -0.0000407700000000 ] - [ 0.0001335000000000, -0.0002935200000000, -0.0001165200000000 ] - [ 0.0003785500000000, 0.0009228200000000, -0.0019894100000000 ] - [ 0.0005570600000000, -0.0007448000000000, 0.0016838100000000 ] - [ 0.0004489200000000, 0.0001350400000000, -0.0003628800000000 ] - [ 0.0004518800000000, 0.0001348400000000, -0.0003263500000000 ] - [ 0.0002078100000000, -0.0013513500000000, -0.0009514600000000 ] - [ 0.0007479200000000, 0.0004141000000000, -0.0000197900000000 ] - [ 0.0001629000000000, 0.0014652400000000, 0.0002427600000000 ] - [ 0.0006361800000000, -0.0006446500000000, -0.0005471000000000 ] - [ -0.0002116900000000, -0.0000098300000000, 0.0002239200000000 ] - [ -0.0000761400000000, 0.0000770600000000, 0.0002653000000000 ] - [ -0.0004704300000000, -0.0008313000000000, -0.0007370300000000 ] - [ -0.0000916200000000, -0.0000562000000000, 0.0006474500000000 ] - [ -0.0093469400000000, -0.0040433900000000, 0.0003581600000000 ] - [ 0.0014571900000000, -0.0011981700000000, 0.0005969000000000 ] - [ -0.0001683000000000, -0.0001963600000000, 0.0001479300000000 ] - [ -0.0001206000000000, 0.0001376500000000, 0.0002593600000000 ] - [ 0.0012707100000000, -0.0008991300000000, -0.0008344500000000 ] - [ 0.0012596200000000, -0.0005249000000000, 0.0012121900000000 ] - [ 0.0005996800000000, -0.0005764800000000, 0.0001043000000000 ] - [ 0.0006942400000000, -0.0006129300000000, 0.0002206700000000 ] - [ 0.0002589300000000, 0.0007155600000000, 0.0001106000000000 ] - [ 0.0008924700000000, 0.0006481000000000, 0.0001672600000000 ] - [ -0.0032797000000000, 0.0005469100000000, 0.0000551200000000 ] - [ 0.0016568500000000, 0.0005342100000000, 0.0001499000000000 ] - [ -0.0043447900000000, 0.0008754100000000, 0.0026022900000000 ] - [ 0.0002711800000000, 0.0004854300000000, 0.0009131700000000 ] - [ -0.0006742900000000, 0.0002842400000000, -0.0000743800000000 ] - [ -0.0005129500000000, 0.0002746000000000, -0.0000390600000000 ] - [ -0.0007121500000000, -0.0004450300000000, -0.0003262500000000 ] - [ -0.0004877400000000, -0.0000869900000000, 0.0000764100000000 ] - [ -0.0011116800000000, 0.0009390000000000, -0.0012107500000000 ] - [ -0.0002433200000000, -0.0007104000000000, 0.0002213000000000 ] - [ 0.0001573600000000, 0.0001544200000000, -0.0006616300000000 ] - [ 0.0000819400000000, 0.0009964600000000, 0.0012096500000000 ] - [ 0.0001030800000000, 0.0001339200000000, -0.0001772600000000 ] - [ -0.0000232000000000, 0.0001309800000000, -0.0000486400000000 ] - [ -0.0000895900000000, -0.0009734500000000, 0.0005913100000000 ] - [ -0.0003411000000000, 0.0009154800000000, -0.0002705200000000 ] - [ -0.0006723300000000, 0.0000505900000000, 0.0003106100000000 ] - [ -0.0008727300000000, -0.0004164600000000, 0.0001434900000000 ] - [ 0.0003626400000000, -0.0006590000000000, 0.0008713100000000 ] - [ 0.0007725900000000, 0.0002351000000000, -0.0004561500000000 ] - [ 0.0004402400000000, 0.0001622000000000, 0.0002042400000000 ] - [ 0.0005778100000000, -0.0000748700000000, -0.0002874700000000 ] - [ -0.0003190200000000, 0.0001590500000000, 0.0000872500000000 ] - [ -0.0034150600000000, 0.0000854800000000, 0.0001652700000000 ] - [ -0.0007976600000000, 0.0001051700000000, 0.0002366900000000 ] - [ -0.0009290200000000, 0.0001871200000000, 0.0001601400000000 ] - [ 0.0007378900000000, -0.0009051100000000, 0.0004990400000000 ] - [ -0.0007121700000000, -0.0000493800000000, -0.0004856900000000 ] - [ -0.0002682900000000, -0.0000860800000000, -0.0002740900000000 ] - [ -0.0004346600000000, -0.0001063100000000, -0.0002529900000000 ] - [ 0.0003130800000000, 0.0000136500000000, 0.0001359500000000 ] - [ 0.0001647200000000, -0.0001830900000000, 0.0002103300000000 ] - [ 0.0014115000000000, -0.0013631300000000, -0.0014060600000000 ] - [ -0.0001230000000000, 0.0000158600000000, 0.0003501500000000 ] - [ -0.0000910200000000, 0.0000717200000000, -0.0004154900000000 ] - [ 0.0008646500000000, -0.0000503500000000, 0.0007965000000000 ] - [ -0.0000181400000000, 0.0000773100000000, -0.0002951100000000 ] - [ 0.0000117800000000, 0.0000733000000000, -0.0002138500000000 ] - [ -0.0001470000000000, 0.0000517800000000, -0.0002550200000000 ] - [ 0.0000923000000000, -0.0002762000000000, -0.0002408000000000 ] - [ -0.0007171500000000, -0.0005816500000000, -0.0004894100000000 ] - [ -0.0006774700000000, 0.0019401100000000, 0.0003267100000000 ] - [ -0.0065340200000000, 0.0013923700000000, -0.0018833800000000 ] - [ -0.0065256100000000, -0.0010437600000000, 0.0018412100000000 ] - [ -0.0001133600000000, 0.0002320500000000, 0.0000373400000000 ] - [ -0.0000273800000000, 0.0002728700000000, 0.0000375100000000 ] - [ -0.0000584900000000, -0.0002562000000000, -0.0000556300000000 ] - [ 0.0000490400000000, -0.0004002900000000, 0.0000774300000000 ] - [ -0.0000577900000000, -0.0001677600000000, -0.0000251900000000 ] - [ 0.0000486600000000, -0.0002582100000000, 0.0001167800000000 ] - [ 0.0382906300000000, 0.0069100900000000, 0.0032418700000000 ] - [ -0.0009358800000000, -0.0003616400000000, -0.0001490600000000 ] - [ 0.0000562200000000, -0.0003502000000000, -0.0001002100000000 ] - [ -0.0000729000000000, -0.0003339100000000, -0.0001152900000000 ] - [ 0.0000323300000000, 0.0002657400000000, 0.0000801200000000 ] - [ -0.0001403400000000, 0.0002752700000000, -0.0003416200000000 ] - [ -0.0001427900000000, 0.0004288200000000, 0.0001812600000000 ] - [ -0.0000426900000000, 0.0003726200000000, -0.0003657500000000 ] - [ -0.0000663700000000, -0.0003565400000000, 0.0008705800000000 ] - [ -0.0002447000000000, -0.0002313900000000, -0.0003847100000000 ] - [ 0.0000187400000000, -0.0002789700000000, 0.0004107600000000 ] - [ 0.0000176400000000, -0.0003013000000000, 0.0002836800000000 ] - [ 0.0013512500000000, -0.0015762800000000, 0.0003773500000000 ] - [ -0.0004349600000000, 0.0004039000000000, 0.0003589400000000 ] - [ 0.0002450300000000, 0.0003311100000000, 0.0003226200000000 ] - [ -0.0001527300000000, 0.0002812800000000, 0.0003814100000000 ] - [ -0.0007237700000000, -0.0002788100000000, 0.0009781100000000 ] - [ -0.0011423100000000, 0.0020102800000000, -0.0020408800000000 ] - [ 0.0001794800000000, 0.0001107800000000, 0.0002192700000000 ] - [ 0.0002675800000000, 0.0000391100000000, 0.0001541200000000 ] - [ -0.0008203500000000, 0.0015532300000000, 0.0007902300000000 ] - [ -0.0009259400000000, -0.0003857900000000, -0.0005367200000000 ] - [ -0.0004087500000000, -0.0000667800000000, -0.0001776800000000 ] - [ -0.0003404600000000, 0.0002045400000000, -0.0003063700000000 ] - [ -0.0009817100000000, 0.0033619300000000, -0.0011997900000000 ] - [ -0.0006039000000000, -0.0004682000000000, 0.0001784400000000 ] - [ -0.0000089100000000, -0.0003190900000000, -0.0006330100000000 ] - [ 0.0000986100000000, 0.0006401900000000, 0.0002627500000000 ] - [ -0.0009947000000000, 0.0006566600000000, 0.0035526900000000 ] - [ -0.0008219600000000, 0.0006824100000000, -0.0013809700000000 ] - [ 0.0000351900000000, -0.0000027600000000, 0.0001163600000000 ] - [ -0.0001185500000000, -0.0000323300000000, 0.0000415400000000 ] - [ 0.0004583000000000, 0.0004948700000000, 0.0005697600000000 ] - [ -0.0002936800000000, -0.0003779700000000, -0.0001314800000000 ] - [ 0.0031385300000000, -0.0075165400000000, 0.0023266600000000 ] - [ -0.0011518300000000, 0.0010798700000000, -0.0002151300000000 ] - [ -0.0002992400000000, -0.0005166500000000, 0.0016213500000000 ] - [ 0.0019148900000000, -0.0022970400000000, -0.0055754900000000 ] - [ 0.0001176000000000, -0.0003082700000000, 0.0000387500000000 ] - [ 0.0002859400000000, -0.0003160000000000, -0.0000335200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007513400000000, 0.0010034700000000, -0.0003278700000000 ] - [ 0.0028852900000000, 0.0039255600000000, 0.0014675900000000 ] - [ 0.0004451200000000, -0.0005590800000000, -0.0001517800000000 ] - [ 0.0005712400000000, -0.0006541700000000, -0.0001050600000000 ] - [ -0.0034230200000000, 0.0087659000000000, -0.0030257500000000 ] - [ -0.0003060400000000, 0.0003373900000000, -0.0002390500000000 ] - [ 0.0001129400000000, -0.0012654400000000, -0.0001495000000000 ] - [ 0.0001988400000000, -0.0006887500000000, 0.0000257900000000 ] - [ 0.0001021500000000, 0.0019248900000000, -0.0014084300000000 ] - [ -0.0000887100000000, 0.0024804200000000, -0.0019025300000000 ] - [ 0.0005883700000000, -0.0007481200000000, 0.0000612500000000 ] - [ 0.0006114200000000, -0.0008237400000000, 0.0001317000000000 ] - [ 0.0006760400000000, -0.0023475200000000, -0.0011550500000000 ] - [ 0.0001616300000000, -0.0006141200000000, -0.0006577900000000 ] - [ -0.0007724800000000, -0.0026112600000000, -0.0018557700000000 ] - [ 0.0006740600000000, -0.0002875600000000, -0.0003388600000000 ] - [ -0.0003087200000000, -0.0006414000000000, 0.0002079700000000 ] - [ -0.0002509900000000, -0.0007055400000000, 0.0000903600000000 ] - [ 0.0001865600000000, 0.0005101100000000, -0.0001817100000000 ] - [ 0.0001665800000000, 0.0008197100000000, 0.0007666800000000 ] - [ 0.0032618500000000, 0.0057758300000000, -0.0003974200000000 ] - [ 0.0004162100000000, 0.0007342000000000, 0.0001900600000000 ] - [ 0.0001409200000000, -0.0010825000000000, 0.0003026900000000 ] - [ -0.0000965100000000, -0.0005828700000000, 0.0003099400000000 ] - [ 0.0008683200000000, -0.0000047100000000, 0.0000648100000000 ] - [ -0.0000137500000000, 0.0004454300000000, -0.0002416700000000 ] - [ 0.0007039900000000, -0.0010867400000000, 0.0001524400000000 ] - [ 0.0007583800000000, -0.0011887500000000, 0.0002158900000000 ] - [ 0.0005847000000000, -0.0004472500000000, -0.0000393800000000 ] - [ 0.0006458800000000, 0.0002433400000000, 0.0001159900000000 ] - [ 0.0006332500000000, -0.0009749900000000, 0.0013330600000000 ] - [ 0.0004714900000000, 0.0007882500000000, 0.0001316800000000 ] - [ -0.0011435600000000, 0.0035900900000000, 0.0011047600000000 ] - [ -0.0006403700000000, 0.0012673900000000, -0.0000634400000000 ] - [ -0.0006027900000000, -0.0003327200000000, -0.0000694700000000 ] - [ -0.0005548200000000, -0.0002911800000000, -0.0001103600000000 ] - [ -0.0004488500000000, -0.0008966200000000, -0.0003885700000000 ] - [ -0.0006686700000000, -0.0006273600000000, 0.0000158000000000 ] - [ -0.0019417600000000, -0.0013451700000000, 0.0016660500000000 ] - [ -0.0003686400000000, -0.0002709000000000, -0.0000483600000000 ] - [ 0.0003624900000000, 0.0007396900000000, 0.0000213200000000 ] - [ -0.0003831300000000, 0.0001124300000000, -0.0006122100000000 ] - [ -0.0001961000000000, -0.0004730800000000, -0.0001499900000000 ] - [ 0.0000353500000000, -0.0004999000000000, -0.0000848800000000 ] - [ 0.0009854900000000, -0.0007044600000000, 0.0004801500000000 ] - [ -0.0023550100000000, -0.0005275800000000, 0.0007208200000000 ] - [ -0.0014051000000000, -0.0007616200000000, 0.0000016700000000 ] - [ -0.0004909500000000, -0.0007237000000000, 0.0000617900000000 ] - [ 0.0006601400000000, -0.0012737000000000, 0.0013214800000000 ] - [ 0.0002550100000000, -0.0001322700000000, -0.0000813000000000 ] - [ 0.0003829300000000, -0.0006775300000000, -0.0006123600000000 ] - [ 0.0005888600000000, -0.0002177700000000, 0.0000129400000000 ] - [ -0.0011198400000000, 0.0007368000000000, 0.0002760600000000 ] - [ -0.0010155600000000, 0.0006878100000000, -0.0026108300000000 ] - [ -0.0008083400000000, -0.0002915300000000, 0.0001844900000000 ] - [ -0.0007273200000000, -0.0004873800000000, 0.0003291900000000 ] - [ 0.0006435600000000, 0.0001161900000000, -0.0029255000000000 ] - [ -0.0004540900000000, -0.0004797900000000, -0.0001427400000000 ] - [ -0.0004571400000000, 0.0003248200000000, -0.0001192600000000 ] - [ -0.0003519100000000, 0.0002321600000000, -0.0002363300000000 ] - [ 0.0003002200000000, 0.0004613400000000, 0.0000250100000000 ] - [ 0.0002454600000000, 0.0002186400000000, 0.0001652800000000 ] - [ 0.0013609100000000, 0.0015459500000000, 0.0036040500000000 ] - [ 0.0000916600000000, -0.0003495000000000, 0.0001679500000000 ] - [ 0.0000498100000000, -0.0004872600000000, -0.0001447600000000 ] - [ 0.0000386400000000, -0.0011521100000000, -0.0018224900000000 ] - [ 0.0000273400000000, 0.0004574000000000, -0.0002571700000000 ] - [ 0.0000342200000000, 0.0005289700000000, -0.0001658000000000 ] - [ -0.0002221600000000, 0.0003705800000000, -0.0002764100000000 ] - [ 0.0001738900000000, 0.0004422200000000, -0.0003750800000000 ] - [ 0.0007078100000000, -0.0001304200000000, 0.0000318900000000 ] - [ -0.0021991300000000, 0.0012405200000000, 0.0007449200000000 ] - [ -0.0011736700000000, -0.0023084200000000, 0.0000135200000000 ] - [ 0.0012383100000000, -0.0018373500000000, -0.0004211000000000 ] - [ -0.0000335600000000, 0.0008268500000000, 0.0000118200000000 ] - [ -0.0000744500000000, 0.0007284900000000, 0.0000368700000000 ] - [ 0.0000306500000000, -0.0000946600000000, -0.0001919300000000 ] - [ -0.0000596100000000, 0.0001405400000000, 0.0003153300000000 ] - [ -0.0000572200000000, -0.0000933300000000, 0.0001856400000000 ] - [ -0.0002008900000000, 0.0001407400000000, -0.0005535600000000 ] - [ -0.0069893300000000, -0.0356397000000000, 0.0023358800000000 ] - [ 0.0000185700000000, -0.0009649600000000, -0.0000650900000000 ] - [ 0.0000079600000000, 0.0003139300000000, -0.0001436300000000 ] - [ -0.0000087500000000, 0.0000845000000000, -0.0001165000000000 ] - [ -0.0000770100000000, 0.0005779700000000, -0.0001062000000000 ] - [ -0.0000666900000000, 0.0006839600000000, -0.0002370900000000 ] - [ 0.0000858700000000, 0.0004810200000000, -0.0002970300000000 ] - [ 0.0000304100000000, 0.0003631800000000, -0.0000827300000000 ] - [ -0.0002066100000000, -0.0009123300000000, 0.0004797000000000 ] - [ -0.0001041200000000, -0.0008873700000000, -0.0000311700000000 ] - [ 0.0000537400000000, 0.0001051100000000, 0.0003430300000000 ] - [ 0.0000680300000000, 0.0001092600000000, 0.0004297500000000 ] - [ 0.0017303700000000, 0.0055171400000000, 0.0010170300000000 ] - [ -0.0001873600000000, 0.0002114400000000, 0.0004845900000000 ] - [ -0.0002290800000000, 0.0012752000000000, 0.0003688000000000 ] - [ 0.0001368700000000, 0.0005278700000000, 0.0003007700000000 ] - [ 0.0009046600000000, -0.0004601800000000, -0.0001336100000000 ] - [ -0.0015998200000000, -0.0005757600000000, -0.0013986300000000 ] - [ 0.0001147500000000, 0.0004704700000000, 0.0002579000000000 ] - [ 0.0002754300000000, 0.0005168500000000, 0.0002505500000000 ] - [ -0.0019475900000000, 0.0009324200000000, 0.0008920600000000 ] - [ 0.0001002700000000, 0.0001124900000000, -0.0001787700000000 ] - [ -0.0001641200000000, 0.0007184900000000, -0.0003975800000000 ] - [ -0.0004595400000000, 0.0003913100000000, -0.0003060700000000 ] - [ -0.0026304400000000, 0.0051173400000000, -0.0018630600000000 ] - [ 0.0013855000000000, 0.0003156900000000, 0.0002603400000000 ] - [ 0.0006999200000000, 0.0022477700000000, 0.0010887300000000 ] - [ -0.0002485000000000, 0.0008403900000000, -0.0000756000000000 ] - [ -0.0005026000000000, -0.0010842500000000, 0.0016982300000000 ] - [ 0.0003865500000000, -0.0020319500000000, 0.0004305200000000 ] - [ -0.0000497200000000, 0.0009615800000000, -0.0000191300000000 ] - [ -0.0001107200000000, 0.0010332500000000, -0.0000174300000000 ] - [ -0.0001549200000000, 0.0016902900000000, 0.0008239600000000 ] - [ -0.0000084800000000, 0.0007011500000000, 0.0001196600000000 ] - [ 0.0073997000000000, 0.0103324600000000, -0.0027267300000000 ] - [ -0.0001712300000000, -0.0001559000000000, 0.0001379200000000 ] - [ 0.0003036300000000, -0.0018709800000000, 0.0003120300000000 ] - [ 0.0025163800000000, -0.0012819100000000, 0.0040341000000000 ] - [ 0.0002207500000000, 0.0006176100000000, -0.0000935900000000 ] - [ 0.0000628400000000, 0.0007328500000000, -0.0002011000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002347400000000, -0.0010171000000000, 0.0000810300000000 ] - [ -0.0018334800000000, -0.0039106300000000, -0.0016274800000000 ] - [ 0.0005358400000000, 0.0005479900000000, -0.0000780300000000 ] - [ 0.0004068900000000, 0.0006439800000000, -0.0001252500000000 ] - [ 0.0032052800000000, -0.0086261700000000, 0.0025973900000000 ] - [ 0.0003739400000000, -0.0006429000000000, 0.0000415300000000 ] - [ -0.0000538300000000, 0.0009729200000000, -0.0000509300000000 ] - [ -0.0001409700000000, 0.0003946700000000, -0.0002276900000000 ] - [ 0.0008045000000000, -0.0016898000000000, 0.0007272600000000 ] - [ 0.0009918100000000, -0.0022414600000000, 0.0012260300000000 ] - [ 0.0003170400000000, 0.0009887200000000, -0.0007413200000000 ] - [ 0.0002930000000000, 0.0010680500000000, -0.0008152400000000 ] - [ 0.0002308800000000, 0.0021003700000000, 0.0004726700000000 ] - [ 0.0007451200000000, 0.0003879000000000, -0.0000111500000000 ] - [ 0.0016841900000000, 0.0023831800000000, 0.0011819300000000 ] - [ 0.0002287900000000, 0.0000470100000000, -0.0003420700000000 ] - [ 0.0000225900000000, 0.0006243300000000, 0.0002457300000000 ] - [ -0.0000415700000000, 0.0006796600000000, 0.0003565900000000 ] - [ -0.0004744100000000, -0.0005325900000000, 0.0006308600000000 ] - [ -0.0004585300000000, -0.0008481200000000, -0.0003180200000000 ] - [ -0.0037448500000000, -0.0058874100000000, 0.0008730200000000 ] - [ -0.0007027200000000, -0.0007227300000000, 0.0002659600000000 ] - [ -0.0004353700000000, 0.0011138800000000, 0.0001462300000000 ] - [ -0.0001916200000000, 0.0006011100000000, 0.0001434400000000 ] - [ 0.0004238700000000, -0.0012278300000000, 0.0002406700000000 ] - [ 0.0013163500000000, -0.0016776500000000, 0.0005547300000000 ] - [ 0.0005864600000000, -0.0001404700000000, 0.0001588100000000 ] - [ 0.0005456400000000, -0.0000401800000000, 0.0000952500000000 ] - [ 0.0007247600000000, 0.0016734200000000, 0.0003501800000000 ] - [ 0.0006473800000000, 0.0009859700000000, 0.0001953300000000 ] - [ 0.0006625700000000, 0.0020266200000000, -0.0009832700000000 ] - [ 0.0008242700000000, 0.0004385200000000, 0.0001814300000000 ] - [ -0.0000235000000000, -0.0030611600000000, -0.0012565800000000 ] - [ -0.0005384600000000, -0.0007352500000000, -0.0000528800000000 ] - [ -0.0005721700000000, 0.0008629200000000, -0.0000536500000000 ] - [ -0.0006223000000000, 0.0008266100000000, 0.0000007300000000 ] - [ -0.0007320200000000, 0.0003603500000000, 0.0002783400000000 ] - [ -0.0005072700000000, 0.0000975100000000, -0.0001386200000000 ] - [ 0.0007722800000000, 0.0008174100000000, -0.0017975100000000 ] - [ -0.0008086400000000, -0.0002615200000000, -0.0000758400000000 ] - [ -0.0002936900000000, -0.0004265100000000, -0.0002172500000000 ] - [ 0.0004413600000000, 0.0001917100000000, 0.0004167200000000 ] - [ 0.0002551700000000, 0.0007675000000000, -0.0000527400000000 ] - [ 0.0000213700000000, 0.0007936000000000, -0.0001192400000000 ] - [ -0.0026838400000000, 0.0004233300000000, -0.0000677300000000 ] - [ 0.0006251200000000, 0.0002429400000000, -0.0003060300000000 ] - [ -0.0002902600000000, 0.0004800200000000, 0.0004109200000000 ] - [ -0.0012123600000000, 0.0004409300000000, 0.0003491900000000 ] - [ 0.0003190200000000, 0.0012872500000000, -0.0015504700000000 ] - [ 0.0007273400000000, 0.0001497700000000, -0.0001669100000000 ] - [ 0.0005967500000000, 0.0006903900000000, 0.0003877400000000 ] - [ 0.0003892700000000, 0.0002266200000000, -0.0002404500000000 ] - [ -0.0005965800000000, -0.0004491000000000, 0.0001351300000000 ] - [ -0.0006884600000000, -0.0003878000000000, 0.0030194000000000 ] - [ -0.0008951200000000, 0.0005760800000000, 0.0002264500000000 ] - [ -0.0009734400000000, 0.0007734700000000, 0.0000810100000000 ] - [ -0.0013632500000000, -0.0003238000000000, 0.0024004600000000 ] - [ -0.0002695000000000, 0.0002793700000000, -0.0003701200000000 ] - [ -0.0002665500000000, -0.0005247800000000, -0.0003934900000000 ] - [ -0.0003719300000000, -0.0004316000000000, -0.0002757300000000 ] - [ 0.0001603200000000, -0.0006518800000000, 0.0003393200000000 ] - [ 0.0002147400000000, -0.0004094600000000, 0.0002001300000000 ] - [ -0.0009077200000000, -0.0017374300000000, -0.0032681300000000 ] - [ 0.0003686300000000, 0.0001613100000000, 0.0001971700000000 ] - [ -0.0000595100000000, 0.0006604400000000, -0.0003637600000000 ] - [ -0.0000481000000000, 0.0013347500000000, 0.0013099200000000 ] - [ -0.0000373200000000, -0.0002865800000000, -0.0002516500000000 ] - [ -0.0000446100000000, -0.0003578800000000, -0.0003425000000000 ] - [ 0.0002111700000000, -0.0005424000000000, -0.0002332900000000 ] - [ -0.0001825800000000, -0.0006114200000000, -0.0001353600000000 ] - [ -0.0007212200000000, -0.0000405600000000, -0.0005412900000000 ] - [ 0.0022069900000000, -0.0014164100000000, -0.0012619200000000 ] - [ 0.0010645800000000, 0.0028260200000000, 0.0000677200000000 ] - [ -0.0013940000000000, 0.0023479400000000, 0.0005053900000000 ] - [ -0.0000939400000000, -0.0003024600000000, 0.0000659900000000 ] - [ -0.0000528400000000, -0.0002044700000000, 0.0000409900000000 ] - [ -0.0001585300000000, -0.0004303400000000, 0.0002701700000000 ] - [ -0.0000671000000000, -0.0006664600000000, -0.0002354600000000 ] - [ -0.0000694200000000, -0.0004295200000000, -0.0001080100000000 ] - [ 0.0000742600000000, -0.0006656200000000, 0.0006334600000000 ] - [ 0.0074276200000000, 0.0349001000000000, -0.0024511700000000 ] - [ -0.0000492700000000, 0.0003093300000000, -0.0001592800000000 ] - [ -0.0000363700000000, -0.0009699100000000, -0.0000803600000000 ] - [ -0.0000202900000000, -0.0007409000000000, -0.0001070400000000 ] - [ 0.0000479900000000, 0.0000781100000000, -0.0001176000000000 ] - [ 0.0000384300000000, -0.0000296100000000, 0.0000134700000000 ] - [ -0.0001155800000000, 0.0001773700000000, 0.0000743500000000 ] - [ -0.0000599000000000, 0.0002938000000000, -0.0001416100000000 ] - [ 0.0002521800000000, 0.0003452800000000, 0.0002206400000000 ] - [ 0.0001486100000000, 0.0003221100000000, 0.0007291900000000 ] - [ -0.0000084000000000, -0.0006690600000000, 0.0003571800000000 ] - [ -0.0000231100000000, -0.0006733700000000, 0.0002703400000000 ] - [ -0.0016614300000000, -0.0048927500000000, -0.0003082600000000 ] - [ 0.0002323200000000, 0.0003514600000000, 0.0002150100000000 ] - [ 0.0002755700000000, -0.0007140400000000, 0.0003313100000000 ] - [ -0.0000917300000000, 0.0000373400000000, 0.0003983500000000 ] - [ -0.0004448300000000, 0.0006524500000000, 0.0005007600000000 ] - [ 0.0020636700000000, 0.0007804000000000, 0.0017653700000000 ] - [ 0.0003452000000000, -0.0002804800000000, 0.0001077300000000 ] - [ 0.0001856300000000, -0.0003265900000000, 0.0001157000000000 ] - [ 0.0012121200000000, -0.0007299800000000, -0.0013960400000000 ] - [ -0.0008248400000000, 0.0000834700000000, -0.0003324500000000 ] - [ -0.0005601000000000, -0.0005197000000000, -0.0001144100000000 ] - [ -0.0002644900000000, -0.0001913000000000, -0.0002066000000000 ] - [ 0.0030076800000000, -0.0044999300000000, 0.0018090400000000 ] - [ -0.0009782400000000, 0.0002867200000000, -0.0002900900000000 ] - [ -0.0003191300000000, -0.0016412100000000, -0.0011149700000000 ] - [ 0.0006384700000000, -0.0002297200000000, 0.0000514800000000 ] - [ 0.0004239400000000, 0.0011263200000000, -0.0014924400000000 ] - [ -0.0004634100000000, 0.0020684500000000, -0.0002525400000000 ] - [ -0.0000248300000000, -0.0009396800000000, 0.0002078500000000 ] - [ 0.0000193700000000, -0.0010250000000000, 0.0002147700000000 ] - [ 0.0000612500000000, -0.0017062100000000, -0.0006304600000000 ] - [ -0.0000628800000000, -0.0007320600000000, 0.0000666500000000 ] - [ -0.0075661700000000, -0.0105071500000000, 0.0029614900000000 ] - [ 0.0000973700000000, 0.0001339000000000, 0.0000433100000000 ] - [ 0.0000840900000000, 0.0012532000000000, -0.0003351700000000 ] - [ -0.0021101600000000, 0.0006493100000000, -0.0040693000000000 ] - [ 0.0001716900000000, -0.0012287000000000, 0.0000704600000000 ] - [ 0.0003213200000000, -0.0013388700000000, 0.0001700200000000 ]- atom: 81 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0016682300000000, -0.0002615800000000, -0.0010968600000000 ] - [ -0.0008246200000000, 0.0000748500000000, 0.0021357800000000 ] - [ 0.0005615600000000, 0.0000034300000000, -0.0001825300000000 ] - [ 0.0004267400000000, 0.0000376400000000, -0.0000822100000000 ] - [ -0.0008589800000000, -0.0007458900000000, 0.0019729600000000 ] - [ 0.0007760000000000, 0.0003258500000000, -0.0001963200000000 ] - [ -0.0000316500000000, 0.0000761600000000, 0.0000610600000000 ] - [ 0.0001146700000000, -0.0002360300000000, -0.0001086300000000 ] - [ 0.0005636500000000, 0.0013563300000000, -0.0029670900000000 ] - [ -0.0004794100000000, 0.0004973400000000, -0.0009573700000000 ] - [ 0.0004582400000000, 0.0001392500000000, -0.0003658900000000 ] - [ 0.0004266800000000, 0.0001474200000000, -0.0003615800000000 ] - [ 0.0003979300000000, 0.0000540800000000, -0.0000275500000000 ] - [ 0.0006744200000000, 0.0002358000000000, -0.0000751000000000 ] - [ 0.0005602900000000, 0.0012299600000000, 0.0007497000000000 ] - [ 0.0006267400000000, -0.0004012700000000, -0.0003881400000000 ] - [ -0.0001250400000000, 0.0000741200000000, 0.0002103900000000 ] - [ -0.0001840800000000, -0.0000990000000000, 0.0001581300000000 ] - [ -0.0001641800000000, -0.0013828100000000, -0.0016687600000000 ] - [ -0.0005834200000000, 0.0002400500000000, -0.0001658100000000 ] - [ -0.0054106100000000, -0.0026915500000000, 0.0023432300000000 ] - [ 0.0006345200000000, -0.0006523900000000, 0.0008422700000000 ] - [ -0.0001417000000000, 0.0000107300000000, 0.0002846800000000 ] - [ -0.0001440200000000, 0.0000907500000000, 0.0002637200000000 ] - [ 0.0029814300000000, -0.0010149100000000, -0.0016111600000000 ] - [ -0.0004046400000000, -0.0005237100000000, 0.0000453600000000 ] - [ 0.0006767700000000, -0.0005894500000000, 0.0001199600000000 ] - [ 0.0005911600000000, -0.0006143600000000, 0.0001549900000000 ] - [ 0.0005559300000000, 0.0006262000000000, 0.0002721000000000 ] - [ 0.0007404000000000, 0.0006658700000000, 0.0001828100000000 ] - [ -0.0013286100000000, 0.0017182800000000, 0.0019616500000000 ] - [ 0.0011775900000000, 0.0005518600000000, 0.0000823900000000 ] - [ -0.0045424800000000, 0.0015490000000000, 0.0074924500000000 ] - [ -0.0003469800000000, 0.0003825000000000, -0.0000404000000000 ] - [ -0.0006126400000000, 0.0002999400000000, -0.0000495900000000 ] - [ -0.0005594100000000, 0.0002653700000000, -0.0001013600000000 ] - [ -0.0005573500000000, -0.0005475800000000, 0.0000073500000000 ] - [ -0.0006547400000000, -0.0002550300000000, 0.0000328800000000 ] - [ -0.0003759500000000, 0.0007717800000000, -0.0006988000000000 ] - [ -0.0007285200000000, -0.0004140000000000, 0.0000749700000000 ] - [ 0.0004463900000000, 0.0003940100000000, -0.0007665700000000 ] - [ -0.0010248800000000, -0.0002391600000000, -0.0001669200000000 ] - [ 0.0001228900000000, 0.0000780900000000, -0.0002044700000000 ] - [ -0.0000537800000000, 0.0002249700000000, -0.0000924500000000 ] - [ -0.0011892000000000, -0.0003135300000000, 0.0002565400000000 ] - [ 0.0000424100000000, 0.0008769400000000, 0.0002183800000000 ] - [ -0.0007692800000000, 0.0000125400000000, 0.0003496100000000 ] - [ -0.0008136100000000, -0.0004061800000000, 0.0002252000000000 ] - [ 0.0000644400000000, 0.0001768300000000, 0.0000483400000000 ] - [ 0.0009008800000000, 0.0000729500000000, -0.0006739900000000 ] - [ 0.0002484300000000, -0.0002980900000000, 0.0002096100000000 ] - [ 0.0006459000000000, -0.0000504200000000, -0.0002642000000000 ] - [ -0.0008425700000000, 0.0003279400000000, -0.0002406000000000 ] - [ -0.0025462600000000, -0.0020010000000000, -0.0025628400000000 ] - [ -0.0008479900000000, 0.0000917700000000, 0.0001956000000000 ] - [ -0.0008922200000000, 0.0002354600000000, 0.0001648400000000 ] - [ -0.0004973100000000, -0.0026759000000000, 0.0020330500000000 ] - [ -0.0004424300000000, 0.0000291000000000, 0.0000873700000000 ] - [ -0.0003134000000000, -0.0000402100000000, -0.0002942200000000 ] - [ -0.0004067300000000, -0.0001215900000000, -0.0002278600000000 ] - [ 0.0002712700000000, -0.0001502000000000, 0.0001591800000000 ] - [ 0.0001800400000000, -0.0001307400000000, 0.0002341800000000 ] - [ 0.0021292300000000, 0.0020825200000000, 0.0006666500000000 ] - [ -0.0001957800000000, -0.0000249000000000, 0.0003917700000000 ] - [ 0.0003154400000000, 0.0001064600000000, 0.0001006400000000 ] - [ -0.0004815400000000, -0.0014056900000000, 0.0032079400000000 ] - [ 0.0000121100000000, 0.0000693300000000, -0.0002637700000000 ] - [ -0.0000222500000000, 0.0001059800000000, -0.0002347000000000 ] - [ -0.0000286900000000, -0.0000869300000000, -0.0002515600000000 ] - [ 0.0000333800000000, -0.0002210900000000, -0.0002970100000000 ] - [ -0.0003101300000000, -0.0002971400000000, -0.0004351200000000 ] - [ -0.0009227300000000, 0.0018293100000000, -0.0005500400000000 ] - [ -0.0020839900000000, 0.0008686500000000, -0.0019431600000000 ] - [ -0.0051931500000000, -0.0008534900000000, -0.0003370200000000 ] - [ -0.0000897000000000, 0.0002231000000000, 0.0000416900000000 ] - [ -0.0000421900000000, 0.0002662500000000, 0.0000197800000000 ] - [ -0.0000074300000000, -0.0003796600000000, 0.0001403800000000 ] - [ -0.0000644400000000, 0.0001518300000000, 0.0002095000000000 ] - [ 0.0000175300000000, -0.0000190600000000, 0.0001571700000000 ] - [ -0.0000320200000000, -0.0004887500000000, 0.0002311700000000 ] - [ 0.0185539900000000, 0.0058858800000000, -0.0197997000000000 ] - [ -0.0004990800000000, -0.0003084200000000, -0.0001094300000000 ] - [ 0.0000159300000000, -0.0003668000000000, -0.0001317200000000 ] - [ -0.0000441900000000, -0.0003357900000000, -0.0001036900000000 ] - [ -0.0001473800000000, 0.0002892800000000, 0.0000593900000000 ] - [ 0.0001052300000000, 0.0004018600000000, -0.0000731400000000 ] - [ -0.0003289200000000, 0.0005369900000000, 0.0002227000000000 ] - [ 0.0001800900000000, 0.0003292000000000, -0.0001190000000000 ] - [ -0.0008136600000000, -0.0004320800000000, 0.0012130500000000 ] - [ 0.0005512500000000, -0.0003915600000000, 0.0005187500000000 ] - [ -0.0000152900000000, -0.0002778900000000, 0.0004027700000000 ] - [ 0.0000605100000000, -0.0002798400000000, 0.0003227800000000 ] - [ 0.0006805200000000, -0.0001573900000000, -0.0008812200000000 ] - [ -0.0001636300000000, 0.0003343500000000, 0.0003420500000000 ] - [ 0.0002045000000000, 0.0001828200000000, 0.0002266700000000 ] - [ -0.0000945600000000, 0.0002704300000000, 0.0003852400000000 ] - [ -0.0008299600000000, -0.0002063600000000, 0.0009225100000000 ] - [ 0.0013659500000000, -0.0001445500000000, -0.0003407200000000 ] - [ 0.0001843100000000, 0.0000983100000000, 0.0002019900000000 ] - [ 0.0002712000000000, 0.0000964100000000, 0.0001465100000000 ] - [ -0.0014869700000000, 0.0018054000000000, 0.0000427300000000 ] - [ -0.0002561700000000, 0.0000274600000000, -0.0005245700000000 ] - [ -0.0004477200000000, -0.0000800200000000, -0.0002055900000000 ] - [ -0.0003028200000000, 0.0001357700000000, -0.0002927300000000 ] - [ 0.0007166000000000, -0.0000184100000000, -0.0002171700000000 ] - [ -0.0007548000000000, -0.0002645900000000, 0.0002614100000000 ] - [ 0.0001895000000000, -0.0000959400000000, -0.0008836500000000 ] - [ 0.0000318400000000, 0.0005154200000000, 0.0001564200000000 ] - [ -0.0030303700000000, 0.0014241200000000, 0.0066196100000000 ] - [ 0.0008263800000000, -0.0004472800000000, 0.0005834700000000 ] - [ -0.0000652100000000, -0.0000495700000000, 0.0000930000000000 ] - [ 0.0000102600000000, 0.0000390600000000, 0.0001421000000000 ] - [ 0.0000545200000000, 0.0000684300000000, -0.0001776400000000 ] - [ -0.0000924900000000, -0.0002058100000000, -0.0001190400000000 ] - [ -0.0004009200000000, -0.0069382000000000, 0.0000794100000000 ] - [ -0.0005192700000000, 0.0005449500000000, -0.0001795300000000 ] - [ -0.0000587400000000, -0.0011214800000000, 0.0019263300000000 ] - [ 0.0050757300000000, 0.0007853200000000, 0.0014128400000000 ] - [ 0.0001478600000000, -0.0002714100000000, 0.0000612200000000 ] - [ 0.0002553900000000, -0.0003933500000000, -0.0000301500000000 ]- atom: 81 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0006780000000000, 0.0002478500000000, 0.0008645100000000 ] - [ 0.0018011900000000, -0.0000918600000000, -0.0023813200000000 ] - [ 0.0004219600000000, -0.0000132600000000, -0.0000554600000000 ] - [ 0.0005556200000000, -0.0000451000000000, -0.0001468900000000 ] - [ 0.0009295500000000, 0.0004203500000000, -0.0021709600000000 ] - [ -0.0007247600000000, -0.0006215100000000, -0.0000082400000000 ] - [ 0.0000871100000000, -0.0003657100000000, -0.0002657500000000 ] - [ -0.0000550400000000, -0.0000617000000000, -0.0000929000000000 ] - [ 0.0003442000000000, -0.0011297900000000, 0.0023043100000000 ] - [ 0.0013830800000000, -0.0002713500000000, 0.0002915500000000 ] - [ 0.0004467500000000, 0.0001016100000000, -0.0003144200000000 ] - [ 0.0004773400000000, 0.0000972300000000, -0.0003208000000000 ] - [ 0.0005065200000000, -0.0002833500000000, -0.0006443500000000 ] - [ 0.0002277400000000, -0.0004859300000000, -0.0006132700000000 ] - [ 0.0003425000000000, -0.0014800600000000, -0.0014370500000000 ] - [ 0.0002783200000000, 0.0001673200000000, -0.0002873900000000 ] - [ -0.0001587200000000, -0.0000877300000000, 0.0002449300000000 ] - [ -0.0001043900000000, 0.0000800500000000, 0.0002947300000000 ] - [ -0.0001100600000000, 0.0013919900000000, 0.0021382000000000 ] - [ 0.0003010600000000, -0.0002440200000000, 0.0006258300000000 ] - [ 0.0049931600000000, 0.0025793100000000, -0.0019077600000000 ] - [ -0.0009205100000000, 0.0006652200000000, -0.0003905900000000 ] - [ -0.0001467600000000, 0.0000066700000000, 0.0001717800000000 ] - [ -0.0001472100000000, -0.0000668600000000, 0.0001872400000000 ] - [ -0.0017093300000000, -0.0002103000000000, 0.0019229400000000 ] - [ 0.0016842100000000, -0.0007041300000000, 0.0002674300000000 ] - [ 0.0006108900000000, -0.0006372900000000, 0.0001908900000000 ] - [ 0.0007036000000000, -0.0006128500000000, 0.0001570700000000 ] - [ 0.0007326400000000, 0.0006042900000000, 0.0000413500000000 ] - [ 0.0005603400000000, 0.0005626700000000, 0.0001299300000000 ] - [ 0.0026151600000000, -0.0004994400000000, -0.0016490900000000 ] - [ 0.0001070500000000, 0.0006764700000000, 0.0002310700000000 ] - [ 0.0036934700000000, -0.0011864400000000, -0.0082450200000000 ] - [ -0.0008275800000000, 0.0001407400000000, -0.0000964400000000 ] - [ -0.0005648800000000, 0.0002307700000000, -0.0000721100000000 ] - [ -0.0006191000000000, 0.0002654700000000, -0.0000176000000000 ] - [ -0.0006222500000000, 0.0000181600000000, -0.0001319800000000 ] - [ -0.0005247900000000, -0.0002772100000000, -0.0001467900000000 ] - [ -0.0008053100000000, -0.0012994200000000, 0.0005825900000000 ] - [ -0.0004448500000000, -0.0001138900000000, -0.0002056100000000 ] - [ -0.0003846600000000, -0.0000964400000000, 0.0005666000000000 ] - [ 0.0010845600000000, 0.0005425500000000, -0.0000266600000000 ] - [ -0.0000607500000000, 0.0002254200000000, 0.0000038800000000 ] - [ 0.0001108500000000, 0.0000687900000000, -0.0001120200000000 ] - [ -0.0005168600000000, 0.0000319200000000, 0.0001522000000000 ] - [ -0.0017392500000000, -0.0011695900000000, 0.0001879300000000 ] - [ -0.0009236700000000, -0.0002950200000000, 0.0000609900000000 ] - [ -0.0008895000000000, 0.0001228500000000, 0.0001849500000000 ] - [ 0.0009183600000000, -0.0001657900000000, -0.0002831600000000 ] - [ 0.0000779200000000, -0.0000669700000000, 0.0004469100000000 ] - [ 0.0007311500000000, 0.0003082300000000, -0.0004342000000000 ] - [ 0.0003358700000000, 0.0000616100000000, 0.0000279200000000 ] - [ -0.0008600600000000, -0.0000442200000000, 0.0006513900000000 ] - [ 0.0008219600000000, 0.0022782500000000, 0.0029852700000000 ] - [ -0.0008611900000000, 0.0001957800000000, 0.0002146000000000 ] - [ -0.0008060700000000, 0.0000498400000000, 0.0002455500000000 ] - [ -0.0002324000000000, 0.0025051400000000, -0.0025595300000000 ] - [ -0.0002801900000000, -0.0002272600000000, -0.0005993500000000 ] - [ -0.0004112100000000, -0.0001599700000000, -0.0002161800000000 ] - [ -0.0003173100000000, -0.0000778900000000, -0.0002833300000000 ] - [ 0.0001895200000000, -0.0000410400000000, 0.0002069600000000 ] - [ 0.0002812100000000, -0.0000591100000000, 0.0001312400000000 ] - [ -0.0016827300000000, -0.0022814100000000, -0.0002945200000000 ] - [ 0.0006593400000000, -0.0001661100000000, -0.0000261000000000 ] - [ -0.0003286900000000, 0.0000634300000000, -0.0006099000000000 ] - [ 0.0004770100000000, 0.0015623400000000, -0.0036874200000000 ] - [ -0.0000222100000000, 0.0001000000000000, -0.0002432600000000 ] - [ 0.0000125200000000, 0.0000638200000000, -0.0002732700000000 ] - [ 0.0000190300000000, -0.0000846300000000, -0.0002560000000000 ] - [ -0.0000440300000000, 0.0000508900000000, -0.0002100600000000 ] - [ 0.0003018400000000, 0.0001271900000000, -0.0000725900000000 ] - [ 0.0009172700000000, -0.0020115500000000, 0.0000486900000000 ] - [ 0.0019716500000000, -0.0003429700000000, 0.0020120400000000 ] - [ 0.0051165200000000, 0.0013906500000000, 0.0004346700000000 ] - [ -0.0000373800000000, 0.0003008000000000, 0.0000386700000000 ] - [ -0.0000850900000000, 0.0002565800000000, 0.0000604300000000 ] - [ -0.0001209000000000, -0.0001426600000000, -0.0000601000000000 ] - [ -0.0000608300000000, -0.0006760400000000, -0.0001305400000000 ] - [ -0.0001460400000000, -0.0005068400000000, -0.0000776900000000 ] - [ -0.0000941500000000, -0.0000364500000000, -0.0001523500000000 ] - [ -0.0188548300000000, -0.0061587700000000, 0.0202702900000000 ] - [ 0.0004712800000000, -0.0003477300000000, -0.0001157100000000 ] - [ -0.0000447600000000, -0.0002888400000000, -0.0000930500000000 ] - [ 0.0000158000000000, -0.0003205500000000, -0.0001209400000000 ] - [ 0.0001180000000000, 0.0003679000000000, -0.0002843200000000 ] - [ -0.0001343100000000, 0.0002522900000000, -0.0001514100000000 ] - [ 0.0003004000000000, 0.0001157500000000, -0.0004481700000000 ] - [ -0.0002094900000000, 0.0003265100000000, -0.0001058800000000 ] - [ 0.0008616600000000, -0.0001270900000000, -0.0005128600000000 ] - [ -0.0005096400000000, -0.0001696300000000, 0.0001815900000000 ] - [ 0.0000602500000000, -0.0002852100000000, 0.0002969500000000 ] - [ -0.0000155100000000, -0.0002833800000000, 0.0003769900000000 ] - [ -0.0006434800000000, 0.0006968500000000, 0.0015830900000000 ] - [ 0.0002102500000000, 0.0002302700000000, 0.0003563600000000 ] - [ -0.0001605000000000, 0.0003797100000000, 0.0004732900000000 ] - [ 0.0001406200000000, 0.0002914000000000, 0.0003135000000000 ] - [ 0.0012860000000000, 0.0003909400000000, -0.0005591600000000 ] - [ -0.0009151600000000, 0.0003440100000000, 0.0006964300000000 ] - [ 0.0002763400000000, 0.0000911800000000, 0.0001627300000000 ] - [ 0.0001898000000000, 0.0000927500000000, 0.0002192900000000 ] - [ 0.0007628500000000, -0.0015967100000000, -0.0005582400000000 ] - [ -0.0004729200000000, 0.0001704400000000, 0.0000143600000000 ] - [ -0.0002763500000000, 0.0002788200000000, -0.0003064000000000 ] - [ -0.0004221200000000, 0.0000623200000000, -0.0002181600000000 ] - [ -0.0003135500000000, 0.0006003100000000, 0.0001949800000000 ] - [ 0.0011496300000000, 0.0008823000000000, -0.0002812000000000 ] - [ 0.0002065100000000, 0.0006994000000000, 0.0008558200000000 ] - [ 0.0003582000000000, 0.0000935700000000, -0.0001771700000000 ] - [ 0.0029859000000000, -0.0014141700000000, -0.0064928200000000 ] - [ -0.0008883600000000, 0.0004750100000000, -0.0003957400000000 ] - [ -0.0000159300000000, 0.0000794600000000, 0.0000877700000000 ] - [ -0.0000906100000000, -0.0000163500000000, 0.0000449400000000 ] - [ -0.0001410500000000, -0.0000987300000000, 0.0003590800000000 ] - [ 0.0000193900000000, 0.0001772800000000, 0.0003011700000000 ] - [ 0.0003345200000000, 0.0069040100000000, 0.0000798100000000 ] - [ 0.0004502000000000, -0.0005759500000000, 0.0003616100000000 ] - [ 0.0004376200000000, 0.0005162300000000, -0.0019526200000000 ] - [ -0.0046549500000000, -0.0013942000000000, -0.0014728900000000 ] - [ 0.0002401300000000, -0.0003443700000000, -0.0000863300000000 ] - [ 0.0001268400000000, -0.0002181500000000, 0.0000057700000000 ]- atom: 89 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0002299500000000, -0.0005239900000000, -0.0026692400000000 ] - [ -0.0007433100000000, 0.0003891300000000, 0.0014439500000000 ] - [ 0.0005015900000000, -0.0000460800000000, -0.0002005400000000 ] - [ 0.0004824300000000, -0.0000452900000000, -0.0000568500000000 ] - [ -0.0005253000000000, 0.0000315500000000, 0.0005678700000000 ] - [ 0.0008541400000000, -0.0007121300000000, -0.0024291400000000 ] - [ 0.0000094900000000, -0.0001927900000000, -0.0000618100000000 ] - [ 0.0000782000000000, -0.0002169100000000, -0.0001027500000000 ] - [ 0.0004312300000000, -0.0017177700000000, -0.0004913500000000 ] - [ -0.0016559800000000, 0.0016228700000000, -0.0007169900000000 ] - [ 0.0004710700000000, 0.0001782800000000, -0.0003711700000000 ] - [ 0.0004553100000000, -0.0000740600000000, -0.0002391300000000 ] - [ 0.0004283300000000, 0.0000101200000000, -0.0001615800000000 ] - [ 0.0006981700000000, -0.0006908100000000, -0.0011826200000000 ] - [ 0.0004300300000000, -0.0001175000000000, -0.0002560900000000 ] - [ 0.0004765500000000, -0.0001773900000000, -0.0003978100000000 ] - [ -0.0000992800000000, 0.0004551700000000, 0.0003444500000000 ] - [ -0.0004300700000000, -0.0005561600000000, 0.0000922100000000 ] - [ -0.0003267800000000, -0.0015246100000000, 0.0002636000000000 ] - [ -0.0003814900000000, 0.0007765200000000, 0.0001087100000000 ] - [ 0.0000443400000000, 0.0000093700000000, 0.0002549800000000 ] - [ -0.0001613300000000, 0.0000670100000000, 0.0002722100000000 ] - [ -0.0001008700000000, -0.0000399900000000, 0.0002786100000000 ] - [ -0.0001426500000000, -0.0001247600000000, 0.0001657800000000 ] - [ 0.0039511200000000, -0.0016181800000000, 0.0004322500000000 ] - [ -0.0005732800000000, -0.0002920800000000, 0.0000968400000000 ] - [ 0.0009093300000000, -0.0005499300000000, 0.0002366200000000 ] - [ 0.0004319200000000, -0.0007002900000000, 0.0001261800000000 ] - [ 0.0007517900000000, 0.0004912500000000, 0.0003318000000000 ] - [ 0.0004325100000000, 0.0006813100000000, -0.0000459100000000 ] - [ 0.0006864200000000, 0.0007398900000000, 0.0005229200000000 ] - [ 0.0004921500000000, 0.0004992100000000, -0.0001255400000000 ] - [ -0.0011548300000000, -0.0013913100000000, 0.0014676300000000 ] - [ -0.0014259200000000, 0.0011390300000000, -0.0008165300000000 ] - [ -0.0005686300000000, 0.0003300000000000, 0.0000590200000000 ] - [ -0.0006457700000000, 0.0001141000000000, -0.0001765100000000 ] - [ -0.0000044700000000, -0.0004071800000000, 0.0000941400000000 ] - [ -0.0009044200000000, -0.0002613700000000, -0.0003150800000000 ] - [ -0.0002282100000000, -0.0001263100000000, 0.0000256800000000 ] - [ -0.0008211900000000, -0.0003138300000000, -0.0000751200000000 ] - [ 0.0035745200000000, -0.0005353100000000, 0.0004916000000000 ] - [ -0.0018107100000000, -0.0004787300000000, 0.0001002500000000 ] - [ 0.0000343000000000, 0.0000082700000000, -0.0001716300000000 ] - [ -0.0000001700000000, 0.0001613700000000, -0.0000654600000000 ] - [ -0.0018123200000000, -0.0003652300000000, -0.0002699500000000 ] - [ 0.0014027900000000, 0.0012048200000000, 0.0019835500000000 ] - [ -0.0009285700000000, -0.0001290700000000, 0.0001915700000000 ] - [ -0.0007839300000000, -0.0002525500000000, 0.0002391400000000 ] - [ -0.0004075100000000, 0.0002903500000000, 0.0002515400000000 ] - [ 0.0032184300000000, -0.0008750400000000, -0.0014513500000000 ] - [ 0.0003287400000000, -0.0000934900000000, -0.0000675700000000 ] - [ 0.0006578900000000, 0.0000003800000000, -0.0001367500000000 ] - [ -0.0031923100000000, 0.0002970100000000, -0.0005795100000000 ] - [ 0.0035669400000000, 0.0004729900000000, -0.0015582400000000 ] - [ -0.0009083700000000, 0.0000822300000000, 0.0001810300000000 ] - [ -0.0007998100000000, 0.0001234400000000, 0.0002228300000000 ] - [ 0.0040475600000000, -0.0012085600000000, -0.0029319600000000 ] - [ 0.0038855100000000, 0.0008692400000000, 0.0021008400000000 ] - [ -0.0003410900000000, -0.0000467700000000, -0.0002840000000000 ] - [ -0.0003863100000000, -0.0000814300000000, -0.0002267200000000 ] - [ 0.0003256100000000, -0.0001873800000000, 0.0001037200000000 ] - [ 0.0001791700000000, 0.0002331000000000, 0.0002743500000000 ] - [ 0.0006669500000000, 0.0000979400000000, 0.0000286100000000 ] - [ -0.0001422900000000, -0.0006439100000000, 0.0004514700000000 ] - [ 0.0008314100000000, 0.0004800800000000, -0.0001286700000000 ] - [ -0.0002736100000000, -0.0032799600000000, -0.0016218900000000 ] - [ 0.0000938900000000, 0.0000413800000000, -0.0002305900000000 ] - [ -0.0001071600000000, 0.0002178000000000, -0.0002854200000000 ] - [ 0.0000708200000000, -0.0000587200000000, -0.0001458900000000 ] - [ -0.0001202300000000, -0.0001462200000000, -0.0003587600000000 ] - [ 0.0000712000000000, -0.0001695900000000, -0.0000515700000000 ] - [ -0.0001207000000000, 0.0001257800000000, -0.0005406800000000 ] - [ 0.0000225400000000, 0.0003166400000000, 0.0004871700000000 ] - [ -0.0009249800000000, 0.0003080500000000, -0.0011293300000000 ] - [ -0.0000514800000000, 0.0002947200000000, 0.0000683400000000 ] - [ -0.0000810500000000, 0.0003015400000000, 0.0000066100000000 ] - [ 0.0006458600000000, -0.0009751200000000, 0.0001497800000000 ] - [ 0.0006061300000000, 0.0019464100000000, -0.0006197500000000 ] - [ 0.0000785200000000, -0.0000463500000000, 0.0001060400000000 ] - [ -0.0001620500000000, -0.0004407900000000, 0.0000187500000000 ] - [ 0.0000759900000000, -0.0005570700000000, -0.0010610800000000 ] - [ 0.0002520300000000, -0.0004540400000000, 0.0007109600000000 ] - [ -0.0000100100000000, -0.0002971100000000, -0.0001545000000000 ] - [ -0.0000088800000000, -0.0002829300000000, -0.0000614600000000 ] - [ -0.0013428000000000, -0.0013734800000000, -0.0002160200000000 ] - [ 0.0004440600000000, 0.0005385400000000, -0.0000275300000000 ] - [ -0.0002368100000000, 0.0005810500000000, -0.0000420500000000 ] - [ 0.0001616600000000, 0.0002128500000000, -0.0001347200000000 ] - [ -0.0257918200000000, -0.0012422400000000, 0.0007272900000000 ] - [ 0.0011054300000000, -0.0002566700000000, 0.0003472200000000 ] - [ -0.0000344900000000, -0.0002465900000000, 0.0003583600000000 ] - [ 0.0000821000000000, -0.0002506100000000, 0.0003451500000000 ] - [ 0.0001261400000000, 0.0004232400000000, -0.0004450200000000 ] - [ 0.0004113800000000, 0.0001527000000000, 0.0011613200000000 ] - [ 0.0000417400000000, 0.0003064200000000, 0.0002919100000000 ] - [ 0.0000068600000000, 0.0003099600000000, 0.0003965800000000 ] - [ -0.0000796900000000, 0.0007930500000000, 0.0007908200000000 ] - [ 0.0005342100000000, -0.0002286800000000, -0.0001129600000000 ] - [ 0.0001699100000000, -0.0000135000000000, 0.0002768700000000 ] - [ 0.0002862100000000, 0.0001865800000000, 0.0001187100000000 ] - [ -0.0024146100000000, 0.0000855200000000, -0.0001031400000000 ] - [ 0.0000887300000000, 0.0000951800000000, -0.0002139500000000 ] - [ -0.0004026400000000, 0.0001149200000000, -0.0002374000000000 ] - [ -0.0003225100000000, 0.0001277800000000, -0.0002744300000000 ] - [ 0.0011349800000000, 0.0000994600000000, -0.0004618600000000 ] - [ -0.0044406800000000, 0.0017162700000000, 0.0033841400000000 ] - [ 0.0003008400000000, 0.0003583100000000, -0.0001060600000000 ] - [ 0.0000618000000000, 0.0003857400000000, 0.0000265200000000 ] - [ 0.0010513400000000, 0.0086754300000000, -0.0025356700000000 ] - [ 0.0014681900000000, -0.0018464100000000, 0.0008825700000000 ] - [ -0.0002741400000000, -0.0002778900000000, -0.0000500700000000 ] - [ 0.0002095100000000, 0.0004027100000000, 0.0001865100000000 ] - [ -0.0002210700000000, -0.0000072600000000, -0.0001330100000000 ] - [ 0.0002951100000000, 0.0003301200000000, 0.0004900700000000 ] - [ -0.0001948200000000, -0.0000672100000000, -0.0001230200000000 ] - [ 0.0001598200000000, 0.0000091400000000, 0.0001686900000000 ] - [ 0.0080804400000000, -0.0004180700000000, 0.0073359900000000 ] - [ 0.0055278700000000, -0.0006020700000000, -0.0023751600000000 ] - [ 0.0002434200000000, -0.0002234400000000, 0.0000914600000000 ] - [ 0.0001488400000000, -0.0002331500000000, -0.0001171800000000 ]- atom: 89 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0007464900000000, 0.0005159500000000, 0.0024483600000000 ] - [ 0.0017246200000000, -0.0004037100000000, -0.0016707700000000 ] - [ 0.0004807000000000, 0.0000321500000000, -0.0000433700000000 ] - [ 0.0004961200000000, 0.0000353400000000, -0.0001760600000000 ] - [ 0.0005792500000000, -0.0003144000000000, -0.0007774900000000 ] - [ -0.0007745800000000, 0.0004148100000000, 0.0022401200000000 ] - [ 0.0000568800000000, -0.0001136800000000, -0.0001339600000000 ] - [ -0.0000140700000000, -0.0000865800000000, -0.0000947900000000 ] - [ 0.0003246600000000, 0.0019096200000000, -0.0002433100000000 ] - [ 0.0025454400000000, -0.0013742800000000, 0.0000427400000000 ] - [ 0.0004343500000000, 0.0000601100000000, -0.0003069700000000 ] - [ 0.0004521100000000, 0.0003064900000000, -0.0004326800000000 ] - [ 0.0004720600000000, -0.0002609200000000, -0.0005291500000000 ] - [ 0.0002114500000000, 0.0004673200000000, 0.0005200400000000 ] - [ 0.0004771000000000, -0.0001125600000000, -0.0004149300000000 ] - [ 0.0004296200000000, -0.0000588500000000, -0.0002780200000000 ] - [ -0.0001900800000000, -0.0004721300000000, 0.0001064900000000 ] - [ 0.0001446600000000, 0.0005423100000000, 0.0003598600000000 ] - [ 0.0000335200000000, 0.0015136200000000, 0.0001876200000000 ] - [ 0.0000951100000000, -0.0007894000000000, 0.0003437300000000 ] - [ -0.0003321000000000, 0.0000071800000000, 0.0001961800000000 ] - [ -0.0001240900000000, -0.0000541300000000, 0.0001835800000000 ] - [ -0.0001914100000000, 0.0000625300000000, 0.0001725400000000 ] - [ -0.0001395700000000, 0.0001347300000000, 0.0002916800000000 ] - [ -0.0026811400000000, 0.0003693900000000, -0.0001248200000000 ] - [ 0.0018680600000000, -0.0009355100000000, 0.0002147300000000 ] - [ 0.0003852600000000, -0.0006782400000000, 0.0000740700000000 ] - [ 0.0008601600000000, -0.0005295200000000, 0.0001865500000000 ] - [ 0.0005516900000000, 0.0007392900000000, -0.0000173500000000 ] - [ 0.0008536100000000, 0.0005484300000000, 0.0003591700000000 ] - [ 0.0006098200000000, 0.0004915000000000, -0.0002103900000000 ] - [ 0.0008037700000000, 0.0007309000000000, 0.0004375700000000 ] - [ -0.0000281800000000, 0.0019357400000000, -0.0015916700000000 ] - [ 0.0002488600000000, -0.0006010100000000, 0.0006951500000000 ] - [ -0.0006080300000000, 0.0002027000000000, -0.0001765500000000 ] - [ -0.0005271800000000, 0.0004153300000000, 0.0000535300000000 ] - [ -0.0011716900000000, -0.0001251000000000, -0.0002095000000000 ] - [ -0.0002669700000000, -0.0002671900000000, 0.0001902200000000 ] - [ -0.0009448400000000, -0.0004048400000000, -0.0001458800000000 ] - [ -0.0003532600000000, -0.0002178500000000, -0.0000428400000000 ] - [ -0.0037094600000000, 0.0009358200000000, -0.0008312500000000 ] - [ 0.0018632300000000, 0.0007672900000000, -0.0002930600000000 ] - [ 0.0000286300000000, 0.0002930500000000, -0.0000270700000000 ] - [ 0.0000562800000000, 0.0001309200000000, -0.0001377500000000 ] - [ 0.0001205600000000, 0.0000784600000000, 0.0006780900000000 ] - [ -0.0031346900000000, -0.0014809600000000, -0.0015607100000000 ] - [ -0.0007899300000000, -0.0001583800000000, 0.0002181400000000 ] - [ -0.0009290700000000, -0.0000355400000000, 0.0001716400000000 ] - [ 0.0013834500000000, -0.0002874000000000, -0.0004716400000000 ] - [ -0.0022102200000000, 0.0009329200000000, 0.0012252100000000 ] - [ 0.0006530900000000, 0.0001092900000000, -0.0001811200000000 ] - [ 0.0003241200000000, 0.0000132200000000, -0.0001081300000000 ] - [ 0.0014962000000000, -0.0000120600000000, 0.0009956800000000 ] - [ -0.0050501100000000, -0.0001655200000000, 0.0017449800000000 ] - [ -0.0008070700000000, 0.0002060300000000, 0.0002287100000000 ] - [ -0.0009076600000000, 0.0001641500000000, 0.0001870300000000 ] - [ -0.0048193300000000, 0.0010228600000000, 0.0024564400000000 ] - [ -0.0045707500000000, -0.0010554700000000, -0.0025806600000000 ] - [ -0.0003831600000000, -0.0001526900000000, -0.0002277400000000 ] - [ -0.0003385500000000, -0.0001180000000000, -0.0002849900000000 ] - [ 0.0001361200000000, -0.0000017700000000, 0.0002620900000000 ] - [ 0.0002805600000000, -0.0004248600000000, 0.0000917500000000 ] - [ -0.0002055600000000, -0.0002889200000000, 0.0003364700000000 ] - [ 0.0005978900000000, 0.0004558400000000, -0.0000868700000000 ] - [ -0.0008421300000000, -0.0003112000000000, -0.0003804600000000 ] - [ 0.0002439300000000, 0.0034429700000000, 0.0011120600000000 ] - [ -0.0001038200000000, 0.0001293600000000, -0.0002790500000000 ] - [ 0.0000962700000000, -0.0000472700000000, -0.0002228700000000 ] - [ -0.0000826600000000, -0.0001115000000000, -0.0003621200000000 ] - [ 0.0001119400000000, -0.0000265300000000, -0.0001504200000000 ] - [ -0.0000820600000000, -0.0000028200000000, -0.0004561400000000 ] - [ 0.0001116200000000, -0.0002961600000000, 0.0000305300000000 ] - [ -0.0001482100000000, 0.0002070500000000, -0.0004077800000000 ] - [ 0.0008088400000000, 0.0002218200000000, 0.0011901600000000 ] - [ -0.0000754400000000, 0.0002295400000000, 0.0000102700000000 ] - [ -0.0000458100000000, 0.0002219700000000, 0.0000718600000000 ] - [ -0.0007752500000000, 0.0004551100000000, -0.0000739900000000 ] - [ -0.0007341000000000, -0.0024569600000000, 0.0006940000000000 ] - [ -0.0002043800000000, -0.0004784200000000, -0.0000282300000000 ] - [ 0.0000353200000000, -0.0000846000000000, 0.0000592000000000 ] - [ -0.0001053100000000, -0.0000988200000000, 0.0008393500000000 ] - [ -0.0002861500000000, -0.0002011000000000, -0.0009349400000000 ] - [ -0.0000195300000000, -0.0003587900000000, -0.0000686300000000 ] - [ -0.0000213000000000, -0.0003739900000000, -0.0001612600000000 ] - [ 0.0013252200000000, 0.0020195300000000, -0.0000030900000000 ] - [ -0.0004732100000000, 0.0001192000000000, -0.0001964300000000 ] - [ 0.0002068000000000, 0.0000767500000000, -0.0001807400000000 ] - [ -0.0001918400000000, 0.0004412000000000, -0.0000897600000000 ] - [ 0.0260524300000000, 0.0006051400000000, 0.0004224400000000 ] - [ -0.0010595400000000, -0.0003071900000000, 0.0003517400000000 ] - [ 0.0000792400000000, -0.0003167600000000, 0.0003409600000000 ] - [ -0.0000372700000000, -0.0003129600000000, 0.0003540000000000 ] - [ -0.0000787900000000, 0.0001402400000000, 0.0011449100000000 ] - [ -0.0003687400000000, 0.0004124200000000, -0.0004618800000000 ] - [ 0.0000040300000000, 0.0002568400000000, 0.0004077900000000 ] - [ 0.0000385300000000, 0.0002531400000000, 0.0003031300000000 ] - [ 0.0005430000000000, -0.0006045900000000, -0.0004234800000000 ] - [ -0.0000724700000000, 0.0004173000000000, 0.0004763000000000 ] - [ 0.0002907000000000, 0.0002031400000000, 0.0000884200000000 ] - [ 0.0001757500000000, 0.0000032100000000, 0.0002464400000000 ] - [ 0.0016913800000000, 0.0001077200000000, -0.0003924300000000 ] - [ -0.0008134700000000, 0.0001042900000000, -0.0003015500000000 ] - [ -0.0003225400000000, 0.0000838100000000, -0.0002734800000000 ] - [ -0.0004027600000000, 0.0000707300000000, -0.0002366800000000 ] - [ -0.0007489800000000, 0.0005140800000000, 0.0004427100000000 ] - [ 0.0048058400000000, -0.0011384900000000, -0.0034574700000000 ] - [ 0.0000816200000000, 0.0002518500000000, 0.0000845200000000 ] - [ 0.0003247900000000, 0.0002256700000000, -0.0000485000000000 ] - [ -0.0010946300000000, -0.0087172100000000, 0.0027332400000000 ] - [ -0.0015295300000000, 0.0018590100000000, -0.0006939400000000 ] - [ 0.0001970100000000, 0.0003063100000000, 0.0002342400000000 ] - [ -0.0002870200000000, -0.0003750300000000, -0.0000025200000000 ] - [ 0.0001529800000000, -0.0000143200000000, 0.0003222200000000 ] - [ -0.0003625400000000, -0.0003560000000000, -0.0003084300000000 ] - [ 0.0001275100000000, 0.0000381700000000, 0.0003031600000000 ] - [ -0.0002319400000000, -0.0000342500000000, 0.0000125100000000 ] - [ -0.0077783700000000, -0.0001884500000000, -0.0074467900000000 ] - [ -0.0051312600000000, -0.0000021300000000, 0.0023029100000000 ] - [ 0.0001493100000000, -0.0003913400000000, -0.0001145700000000 ] - [ 0.0002342200000000, -0.0003745200000000, 0.0000898900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002466400000000, 0.0019391600000000, -0.0002776600000000 ] - [ 0.0003417000000000, 0.0008231000000000, 0.0001096400000000 ] - [ 0.0004962500000000, -0.0005274700000000, -0.0001652900000000 ] - [ 0.0005044100000000, -0.0004623200000000, -0.0001664100000000 ] - [ -0.0000720300000000, 0.0007042800000000, -0.0000697700000000 ] - [ -0.0005786000000000, 0.0024102400000000, -0.0014092600000000 ] - [ 0.0001278000000000, -0.0007489700000000, -0.0000129900000000 ] - [ 0.0001677500000000, -0.0008095100000000, 0.0000682400000000 ] - [ -0.0017777700000000, 0.0039428000000000, -0.0024277500000000 ] - [ 0.0008552600000000, 0.0014873500000000, -0.0010844900000000 ] - [ 0.0006591500000000, -0.0008900700000000, 0.0001850400000000 ] - [ 0.0005344200000000, -0.0006641400000000, 0.0000289100000000 ] - [ 0.0005240200000000, 0.0002164200000000, 0.0002122300000000 ] - [ 0.0000440900000000, -0.0010035400000000, -0.0020314200000000 ] - [ 0.0003029700000000, -0.0007972200000000, -0.0007827300000000 ] - [ 0.0004156900000000, -0.0006816100000000, -0.0003694200000000 ] - [ 0.0003810400000000, -0.0009440800000000, 0.0001076300000000 ] - [ -0.0006217200000000, -0.0007120600000000, 0.0001278700000000 ] - [ -0.0017992100000000, -0.0010590500000000, -0.0002564100000000 ] - [ 0.0007180200000000, -0.0000796500000000, 0.0004222400000000 ] - [ -0.0001639400000000, 0.0000503600000000, -0.0001633600000000 ] - [ 0.0000392900000000, 0.0000231700000000, 0.0006807300000000 ] - [ -0.0000370100000000, -0.0005306700000000, 0.0006146800000000 ] - [ -0.0000992500000000, -0.0005584600000000, 0.0001110200000000 ] - [ -0.0009405100000000, -0.0006052000000000, 0.0007252900000000 ] - [ 0.0006771100000000, -0.0003184200000000, 0.0001016300000000 ] - [ 0.0008466800000000, -0.0015519200000000, 0.0001025400000000 ] - [ 0.0005908800000000, -0.0009340000000000, 0.0001547300000000 ] - [ 0.0005016700000000, 0.0003561300000000, 0.0003550400000000 ] - [ 0.0005012400000000, 0.0003346100000000, 0.0000765000000000 ] - [ 0.0006779700000000, 0.0004167900000000, 0.0000321100000000 ] - [ 0.0005174800000000, 0.0004822300000000, 0.0000633000000000 ] - [ -0.0025416600000000, 0.0006347500000000, 0.0014295000000000 ] - [ 0.0000237500000000, 0.0007763200000000, 0.0002053300000000 ] - [ -0.0004487300000000, -0.0002846800000000, -0.0002414200000000 ] - [ -0.0006876900000000, -0.0002244300000000, -0.0001416300000000 ] - [ -0.0009148400000000, -0.0011297000000000, 0.0012131900000000 ] - [ -0.0004959300000000, -0.0003594400000000, -0.0003783600000000 ] - [ -0.0005287200000000, -0.0009652900000000, -0.0006891200000000 ] - [ -0.0006684400000000, -0.0005262000000000, -0.0000102300000000 ] - [ -0.0006473400000000, 0.0053230100000000, -0.0007976600000000 ] - [ -0.0000847500000000, 0.0011900200000000, 0.0001703700000000 ] - [ -0.0001719200000000, -0.0006835700000000, -0.0002581100000000 ] - [ -0.0000374200000000, -0.0004392400000000, -0.0001866000000000 ] - [ -0.0010001800000000, 0.0002417600000000, 0.0002229800000000 ] - [ 0.0002769900000000, 0.0005228000000000, -0.0025900600000000 ] - [ -0.0009344000000000, -0.0005418300000000, 0.0002021200000000 ] - [ -0.0008904100000000, -0.0006941700000000, 0.0002861500000000 ] - [ 0.0006211100000000, 0.0003187200000000, -0.0001339800000000 ] - [ 0.0001899300000000, 0.0017038200000000, -0.0018006900000000 ] - [ 0.0003984500000000, -0.0004580600000000, -0.0000623400000000 ] - [ 0.0005691700000000, -0.0007144600000000, 0.0000872800000000 ] - [ -0.0007040800000000, 0.0017031800000000, -0.0000096200000000 ] - [ -0.0007784600000000, 0.0033098800000000, 0.0001122600000000 ] - [ -0.0008032500000000, -0.0003498200000000, 0.0002174600000000 ] - [ -0.0007853700000000, -0.0003594900000000, 0.0002248400000000 ] - [ -0.0013312300000000, -0.0019225900000000, 0.0000272500000000 ] - [ 0.0006193600000000, -0.0017407300000000, -0.0000557600000000 ] - [ -0.0003782800000000, 0.0003004000000000, -0.0002318300000000 ] - [ -0.0004181600000000, 0.0002527400000000, -0.0002260700000000 ] - [ 0.0001213500000000, 0.0000270000000000, 0.0001783500000000 ] - [ 0.0004763100000000, 0.0006137100000000, 0.0003489500000000 ] - [ 0.0005653000000000, 0.0000726400000000, 0.0000812800000000 ] - [ -0.0004894200000000, 0.0008762200000000, -0.0005247400000000 ] - [ 0.0003893300000000, -0.0001011800000000, -0.0000555600000000 ] - [ -0.0033494900000000, 0.0034154900000000, 0.0023938200000000 ] - [ -0.0000493600000000, 0.0003673200000000, -0.0002515000000000 ] - [ 0.0001282700000000, 0.0005818600000000, -0.0003153800000000 ] - [ 0.0000784700000000, 0.0000230700000000, -0.0002930400000000 ] - [ -0.0002163300000000, 0.0003703000000000, -0.0000037900000000 ] - [ -0.0000311700000000, 0.0000245800000000, -0.0002404400000000 ] - [ 0.0000547800000000, 0.0003704100000000, -0.0007431100000000 ] - [ -0.0000488100000000, -0.0003103800000000, 0.0000756900000000 ] - [ 0.0000775100000000, -0.0009747000000000, -0.0016587700000000 ] - [ -0.0000538200000000, 0.0006340600000000, 0.0000272100000000 ] - [ -0.0000497900000000, 0.0007052300000000, 0.0000738300000000 ] - [ -0.0005576000000000, -0.0003084600000000, -0.0000401200000000 ] - [ 0.0019787300000000, 0.0010672800000000, -0.0009057600000000 ] - [ 0.0000748000000000, 0.0001946900000000, 0.0001342200000000 ] - [ -0.0002523700000000, 0.0002640800000000, 0.0000748700000000 ] - [ 0.0000589100000000, -0.0009543400000000, -0.0002442000000000 ] - [ -0.0000645200000000, -0.0009308100000000, -0.0002790000000000 ] - [ -0.0000191800000000, 0.0000590000000000, -0.0001095400000000 ] - [ 0.0000031400000000, 0.0000633700000000, -0.0000972200000000 ] - [ -0.0018789200000000, 0.0055631200000000, -0.0008556000000000 ] - [ 0.0001048200000000, 0.0002569300000000, -0.0000936800000000 ] - [ 0.0000323400000000, 0.0013208400000000, 0.0000399800000000 ] - [ -0.0000162500000000, 0.0005737700000000, -0.0000996000000000 ] - [ -0.0008449000000000, -0.0227348000000000, 0.0003541600000000 ] - [ 0.0000471700000000, -0.0008023100000000, 0.0003269000000000 ] - [ 0.0000578000000000, 0.0001875700000000, 0.0003665000000000 ] - [ 0.0000533800000000, 0.0000435100000000, 0.0003724300000000 ] - [ -0.0001195400000000, -0.0000789900000000, 0.0004748200000000 ] - [ 0.0001525100000000, -0.0000424200000000, 0.0004482900000000 ] - [ -0.0000021400000000, 0.0006397800000000, 0.0003132500000000 ] - [ -0.0000062400000000, 0.0005878200000000, 0.0003309200000000 ] - [ 0.0007784600000000, 0.0005238600000000, 0.0011620600000000 ] - [ 0.0000780200000000, -0.0000498000000000, 0.0002007100000000 ] - [ 0.0001052000000000, 0.0005134900000000, 0.0000446500000000 ] - [ 0.0002470300000000, 0.0003546100000000, 0.0002304700000000 ] - [ -0.0003973500000000, -0.0007130800000000, -0.0028004600000000 ] - [ -0.0003844800000000, -0.0003066900000000, 0.0000373900000000 ] - [ -0.0003279500000000, 0.0004865900000000, -0.0002494200000000 ] - [ -0.0003321600000000, 0.0004005400000000, -0.0003031200000000 ] - [ 0.0002531800000000, -0.0004345400000000, -0.0001794200000000 ] - [ 0.0017340000000000, 0.0010322300000000, 0.0092225200000000 ] - [ 0.0002809700000000, 0.0011402600000000, 0.0000420300000000 ] - [ 0.0001678800000000, 0.0012274900000000, -0.0002580500000000 ] - [ 0.0090640900000000, 0.0047283500000000, -0.0009513900000000 ] - [ -0.0007226100000000, -0.0007178800000000, 0.0002122700000000 ] - [ -0.0003840500000000, 0.0012934600000000, 0.0001066300000000 ] - [ 0.0001484300000000, 0.0008986400000000, 0.0000431200000000 ] - [ 0.0001261000000000, 0.0003457800000000, -0.0010633700000000 ] - [ 0.0001240400000000, 0.0009019200000000, 0.0007723800000000 ] - [ -0.0000303100000000, 0.0004074500000000, 0.0008741000000000 ] - [ -0.0000343900000000, 0.0003512400000000, -0.0000113100000000 ] - [ 0.0003040400000000, -0.0074231900000000, 0.0014897600000000 ] - [ 0.0004359500000000, -0.0021105900000000, 0.0003639700000000 ] - [ 0.0001843600000000, 0.0007597500000000, -0.0001401000000000 ] - [ 0.0001474900000000, 0.0005328400000000, -0.0000974800000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007267700000000, -0.0019561900000000, 0.0000445700000000 ] - [ 0.0006467700000000, -0.0008396400000000, -0.0003521600000000 ] - [ 0.0004838000000000, 0.0005158500000000, -0.0000712200000000 ] - [ 0.0004763300000000, 0.0004495000000000, -0.0000739800000000 ] - [ 0.0001306000000000, -0.0009993900000000, -0.0001285000000000 ] - [ 0.0006339100000000, -0.0026922300000000, 0.0012161200000000 ] - [ -0.0000709200000000, 0.0004597500000000, -0.0001863600000000 ] - [ -0.0001110600000000, 0.0005176300000000, -0.0002674700000000 ] - [ 0.0026577900000000, -0.0037526600000000, 0.0017570100000000 ] - [ 0.0000575700000000, -0.0012721500000000, 0.0004225500000000 ] - [ 0.0002480700000000, 0.0011250100000000, -0.0008594300000000 ] - [ 0.0003733400000000, 0.0008945400000000, -0.0006989200000000 ] - [ 0.0003850900000000, -0.0004404000000000, -0.0008786400000000 ] - [ 0.0008605100000000, 0.0007692900000000, 0.0013562100000000 ] - [ 0.0006028600000000, 0.0005601600000000, 0.0001073800000000 ] - [ 0.0004907200000000, 0.0004461400000000, -0.0003067100000000 ] - [ -0.0006586300000000, 0.0009296200000000, 0.0003418800000000 ] - [ 0.0003397100000000, 0.0007072400000000, 0.0003230200000000 ] - [ 0.0015229300000000, 0.0010523400000000, 0.0007091900000000 ] - [ -0.0010065300000000, 0.0000699800000000, 0.0000290200000000 ] - [ -0.0001205700000000, -0.0000436200000000, 0.0006168700000000 ] - [ -0.0003242700000000, -0.0000150100000000, -0.0002336200000000 ] - [ -0.0002442800000000, 0.0005363400000000, -0.0001580200000000 ] - [ -0.0001875900000000, 0.0005760500000000, 0.0003387800000000 ] - [ 0.0021858600000000, -0.0008644400000000, -0.0003745500000000 ] - [ 0.0006064100000000, -0.0009148000000000, 0.0002113500000000 ] - [ 0.0004401700000000, 0.0003191600000000, 0.0002062200000000 ] - [ 0.0006908100000000, -0.0002943500000000, 0.0001553200000000 ] - [ 0.0007774400000000, 0.0008755700000000, -0.0000418900000000 ] - [ 0.0007926300000000, 0.0009002800000000, 0.0002365100000000 ] - [ 0.0006128500000000, 0.0008135400000000, 0.0002796600000000 ] - [ 0.0007751600000000, 0.0007481200000000, 0.0002479100000000 ] - [ 0.0013828700000000, -0.0001099000000000, -0.0015634500000000 ] - [ -0.0011977100000000, -0.0002523900000000, -0.0003333300000000 ] - [ -0.0007221000000000, 0.0008150300000000, 0.0001156900000000 ] - [ -0.0004826900000000, 0.0007543600000000, 0.0000144700000000 ] - [ -0.0002590200000000, 0.0005991000000000, -0.0013316900000000 ] - [ -0.0006763500000000, -0.0001686100000000, 0.0002578600000000 ] - [ -0.0006449200000000, 0.0004367300000000, 0.0005702000000000 ] - [ -0.0005037600000000, -0.0000051900000000, -0.0001111800000000 ] - [ 0.0005945500000000, -0.0049882000000000, 0.0005316100000000 ] - [ 0.0001518900000000, -0.0008899300000000, -0.0003646400000000 ] - [ 0.0002332400000000, 0.0009812500000000, 0.0000614400000000 ] - [ 0.0000982200000000, 0.0007387100000000, -0.0000093200000000 ] - [ -0.0007015900000000, -0.0005283800000000, 0.0001895300000000 ] - [ -0.0019701500000000, -0.0007935000000000, 0.0029991500000000 ] - [ -0.0007660500000000, 0.0002541700000000, 0.0002094800000000 ] - [ -0.0008090900000000, 0.0004066100000000, 0.0001250100000000 ] - [ 0.0003575200000000, -0.0003055000000000, -0.0001009500000000 ] - [ 0.0008584900000000, -0.0015241900000000, 0.0016634400000000 ] - [ 0.0005783100000000, 0.0004682500000000, -0.0001691900000000 ] - [ 0.0004071400000000, 0.0007270600000000, -0.0003187900000000 ] - [ -0.0010012700000000, -0.0014223700000000, 0.0004224800000000 ] - [ -0.0009192000000000, -0.0030291700000000, 0.0003016000000000 ] - [ -0.0009039800000000, 0.0006380300000000, 0.0001935000000000 ] - [ -0.0009260700000000, 0.0006488700000000, 0.0001875600000000 ] - [ 0.0006204800000000, 0.0017175500000000, -0.0005465900000000 ] - [ -0.0013573200000000, 0.0015349900000000, -0.0004641300000000 ] - [ -0.0003456500000000, -0.0004999300000000, -0.0002805200000000 ] - [ -0.0003055000000000, -0.0004529200000000, -0.0002862900000000 ] - [ 0.0003376500000000, -0.0002189900000000, 0.0001885000000000 ] - [ -0.0000146900000000, -0.0008048300000000, 0.0000195700000000 ] - [ -0.0001063400000000, -0.0002626700000000, 0.0002852400000000 ] - [ 0.0009544300000000, -0.0010744900000000, 0.0008969100000000 ] - [ -0.0003999600000000, 0.0002747900000000, -0.0004531700000000 ] - [ 0.0033796500000000, -0.0032690000000000, -0.0029346800000000 ] - [ 0.0000385300000000, -0.0001969400000000, -0.0002576100000000 ] - [ -0.0001371800000000, -0.0004099100000000, -0.0001929700000000 ] - [ -0.0000886500000000, -0.0001956400000000, -0.0002155000000000 ] - [ 0.0002069600000000, -0.0005420600000000, -0.0005022000000000 ] - [ 0.0000216500000000, -0.0001950200000000, -0.0002679800000000 ] - [ -0.0000649900000000, -0.0005428800000000, 0.0002369500000000 ] - [ -0.0000794800000000, 0.0008375300000000, 0.0000040600000000 ] - [ -0.0002050700000000, 0.0015097800000000, 0.0017391200000000 ] - [ -0.0000737600000000, -0.0001099900000000, 0.0000520000000000 ] - [ -0.0000771900000000, -0.0001809600000000, 0.0000060500000000 ] - [ 0.0004281000000000, -0.0002196900000000, 0.0001175200000000 ] - [ -0.0020894900000000, -0.0015889900000000, 0.0009787500000000 ] - [ -0.0002025500000000, -0.0007194700000000, -0.0000554800000000 ] - [ 0.0001259800000000, -0.0007898900000000, 0.0000046400000000 ] - [ -0.0000875600000000, 0.0003028500000000, 0.0000226600000000 ] - [ 0.0000369700000000, 0.0002786000000000, 0.0000556100000000 ] - [ -0.0000097300000000, -0.0007156800000000, -0.0001144600000000 ] - [ -0.0000322500000000, -0.0007202100000000, -0.0001272600000000 ] - [ 0.0018251900000000, -0.0048468800000000, 0.0006213800000000 ] - [ -0.0001330300000000, 0.0003969300000000, -0.0001306400000000 ] - [ -0.0000620600000000, -0.0006681900000000, -0.0002641100000000 ] - [ -0.0000125600000000, 0.0000830700000000, -0.0001246800000000 ] - [ 0.0010044400000000, 0.0222663400000000, 0.0002469000000000 ] - [ -0.0000028100000000, 0.0002397500000000, 0.0003718100000000 ] - [ -0.0000122800000000, -0.0007514500000000, 0.0003325200000000 ] - [ -0.0000085000000000, -0.0006078100000000, 0.0003272200000000 ] - [ 0.0001639400000000, 0.0006397700000000, 0.0002265000000000 ] - [ -0.0001071100000000, 0.0006046600000000, 0.0002523900000000 ] - [ 0.0000470400000000, -0.0000759000000000, 0.0003855700000000 ] - [ 0.0000510300000000, -0.0000241900000000, 0.0003686200000000 ] - [ -0.0003235800000000, -0.0003339600000000, -0.0008017300000000 ] - [ 0.0003824000000000, 0.0002428900000000, 0.0001656600000000 ] - [ 0.0003541900000000, -0.0003230700000000, 0.0003199800000000 ] - [ 0.0002139100000000, -0.0001650600000000, 0.0001362100000000 ] - [ -0.0003260200000000, 0.0008940600000000, 0.0022950700000000 ] - [ -0.0003393600000000, 0.0005057300000000, -0.0005497400000000 ] - [ -0.0003958700000000, -0.0002874500000000, -0.0002636100000000 ] - [ -0.0003912800000000, -0.0002006200000000, -0.0002093200000000 ] - [ 0.0001333800000000, 0.0010437300000000, 0.0001575400000000 ] - [ -0.0013295100000000, -0.0004134900000000, -0.0091899800000000 ] - [ 0.0001075900000000, -0.0005284600000000, -0.0000671400000000 ] - [ 0.0002081000000000, -0.0006186100000000, 0.0002300200000000 ] - [ -0.0092347500000000, -0.0047552700000000, 0.0011385000000000 ] - [ 0.0006521500000000, 0.0007630200000000, -0.0000373000000000 ] - [ 0.0003075200000000, -0.0012597600000000, 0.0000773200000000 ] - [ -0.0002219700000000, -0.0008639600000000, 0.0001307800000000 ] - [ -0.0001977700000000, -0.0003850700000000, 0.0012318100000000 ] - [ -0.0001949300000000, -0.0009414500000000, -0.0005977800000000 ] - [ -0.0000345100000000, -0.0004366400000000, -0.0006986600000000 ] - [ -0.0000445500000000, -0.0003825900000000, 0.0001927900000000 ] - [ 0.0001177600000000, 0.0068307600000000, -0.0014929100000000 ] - [ -0.0000780200000000, 0.0015023200000000, -0.0003857200000000 ] - [ 0.0002031400000000, -0.0013717100000000, 0.0001130000000000 ] - [ 0.0002331200000000, -0.0011494800000000, 0.0000743800000000 ]- atom: 89 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ -0.0009911100000000, 0.0000023000000000, 0.0002965600000000 ] - [ 0.0023574000000000, -0.0004104200000000, -0.0022670600000000 ] - [ 0.0004390700000000, 0.0000046700000000, -0.0000762900000000 ] - [ 0.0005462900000000, -0.0000239100000000, -0.0001923200000000 ] - [ 0.0006515200000000, -0.0001811500000000, -0.0010818900000000 ] - [ -0.0018860000000000, -0.0009260000000000, -0.0013645800000000 ] - [ 0.0000617900000000, -0.0001773600000000, -0.0001408400000000 ] - [ -0.0000149500000000, -0.0001228800000000, -0.0000882000000000 ] - [ 0.0003073100000000, 0.0001041500000000, 0.0020298600000000 ] - [ 0.0023994200000000, -0.0014674500000000, 0.0008382300000000 ] - [ 0.0004595200000000, 0.0000436900000000, -0.0002640300000000 ] - [ 0.0004741900000000, 0.0001772400000000, -0.0003575200000000 ] - [ 0.0005868800000000, 0.0000039400000000, -0.0008387900000000 ] - [ -0.0002615800000000, -0.0013142200000000, -0.0011216100000000 ] - [ 0.0004487300000000, -0.0003332600000000, -0.0005556900000000 ] - [ 0.0004030300000000, 0.0000147700000000, -0.0003122900000000 ] - [ -0.0001263900000000, -0.0001660900000000, 0.0002819600000000 ] - [ -0.0000151500000000, 0.0003499500000000, 0.0004556200000000 ] - [ 0.0002109700000000, 0.0007543700000000, 0.0006523000000000 ] - [ 0.0001044500000000, -0.0006040900000000, 0.0006170600000000 ] - [ -0.0001316900000000, -0.0003528800000000, -0.0000768000000000 ] - [ -0.0003726400000000, 0.0004991700000000, -0.0002169200000000 ] - [ -0.0001984800000000, 0.0002203400000000, 0.0000327600000000 ] - [ -0.0001429400000000, -0.0002585800000000, 0.0000969900000000 ] - [ -0.0008301300000000, 0.0001496200000000, 0.0021268200000000 ] - [ 0.0013838700000000, -0.0009138000000000, 0.0003766900000000 ] - [ 0.0005695500000000, -0.0006980400000000, 0.0002584700000000 ] - [ 0.0007385300000000, -0.0005463900000000, 0.0001531800000000 ] - [ 0.0009691600000000, 0.0007355300000000, -0.0001514400000000 ] - [ 0.0003658600000000, 0.0004432300000000, 0.0000437400000000 ] - [ 0.0008316400000000, 0.0004345800000000, -0.0002128700000000 ] - [ 0.0004526100000000, 0.0006864800000000, 0.0001921500000000 ] - [ 0.0007215800000000, 0.0021701700000000, -0.0004751900000000 ] - [ -0.0007566800000000, 0.0001124500000000, 0.0006224800000000 ] - [ -0.0005175100000000, 0.0001718500000000, -0.0000762700000000 ] - [ -0.0006416900000000, 0.0003122900000000, 0.0000451800000000 ] - [ -0.0007091600000000, 0.0006261100000000, -0.0003718100000000 ] - [ -0.0004273200000000, -0.0002741100000000, -0.0003857400000000 ] - [ -0.0007939200000000, -0.0006360700000000, -0.0001342900000000 ] - [ -0.0004619600000000, -0.0001881300000000, -0.0002119800000000 ] - [ -0.0011365500000000, -0.0002577500000000, 0.0023415700000000 ] - [ 0.0022205300000000, 0.0010111800000000, 0.0000485300000000 ] - [ 0.0000137100000000, 0.0002094900000000, -0.0000383700000000 ] - [ 0.0000683600000000, 0.0001025600000000, -0.0001316400000000 ] - [ -0.0007107500000000, -0.0000015200000000, 0.0001921800000000 ] - [ -0.0011393300000000, -0.0029902200000000, -0.0027898600000000 ] - [ -0.0008508000000000, -0.0001891300000000, 0.0001965900000000 ] - [ -0.0008553300000000, -0.0000687700000000, 0.0001916000000000 ] - [ 0.0011450800000000, -0.0001512400000000, -0.0003542900000000 ] - [ -0.0014230800000000, -0.0001572200000000, 0.0025340200000000 ] - [ 0.0006018800000000, 0.0000482000000000, -0.0001935200000000 ] - [ 0.0003720000000000, 0.0000383400000000, -0.0000411500000000 ] - [ -0.0006378900000000, -0.0000021900000000, 0.0005078700000000 ] - [ -0.0049689800000000, -0.0002437000000000, 0.0050242500000000 ] - [ -0.0008444700000000, 0.0001541800000000, 0.0002081100000000 ] - [ -0.0008665000000000, 0.0001318800000000, 0.0002083900000000 ] - [ -0.0049749700000000, 0.0007840300000000, 0.0008789400000000 ] - [ -0.0007897000000000, -0.0004436100000000, -0.0020480000000000 ] - [ -0.0003964100000000, -0.0001140500000000, -0.0002342400000000 ] - [ -0.0003279200000000, -0.0000878700000000, -0.0002853000000000 ] - [ 0.0001071100000000, -0.0000549300000000, 0.0002526600000000 ] - [ 0.0003789300000000, 0.0000353500000000, 0.0000381300000000 ] - [ -0.0001393500000000, -0.0002347800000000, 0.0003096600000000 ] - [ 0.0006702600000000, -0.0002586700000000, -0.0000251200000000 ] - [ -0.0003682100000000, 0.0000294300000000, -0.0003132900000000 ] - [ -0.0009926200000000, 0.0041623900000000, 0.0001511200000000 ] - [ -0.0000400100000000, 0.0001127100000000, -0.0002182100000000 ] - [ 0.0000254400000000, -0.0000393000000000, -0.0003137300000000 ] - [ 0.0001186900000000, -0.0001120000000000, -0.0002663800000000 ] - [ -0.0001768600000000, 0.0003547200000000, -0.0001172300000000 ] - [ 0.0000407100000000, -0.0000067600000000, -0.0003193300000000 ] - [ -0.0000257200000000, -0.0004103600000000, -0.0000157800000000 ] - [ 0.0000221400000000, 0.0003218900000000, 0.0002359900000000 ] - [ -0.0004488900000000, -0.0010673900000000, 0.0035601400000000 ] - [ -0.0000353100000000, 0.0002416400000000, 0.0000366100000000 ] - [ -0.0000862700000000, 0.0003129800000000, 0.0000542000000000 ] - [ -0.0002641100000000, -0.0000998000000000, -0.0000729800000000 ] - [ -0.0009209600000000, -0.0023226300000000, -0.0002160500000000 ] - [ -0.0001405000000000, -0.0003654500000000, 0.0000051900000000 ] - [ -0.0000185800000000, -0.0000634100000000, 0.0000006500000000 ] - [ -0.0004984300000000, -0.0000926900000000, 0.0009900600000000 ] - [ 0.0004419900000000, -0.0005710100000000, 0.0000071700000000 ] - [ -0.0000678900000000, -0.0003507600000000, -0.0000694200000000 ] - [ 0.0000356200000000, -0.0002877100000000, -0.0001305800000000 ] - [ 0.0007119000000000, 0.0007197200000000, -0.0013005000000000 ] - [ -0.0002790500000000, 0.0000989300000000, -0.0001719900000000 ] - [ 0.0001319200000000, 0.0001719800000000, -0.0002586500000000 ] - [ -0.0001405300000000, 0.0004317800000000, -0.0000817800000000 ] - [ 0.0144868800000000, 0.0002781500000000, -0.0169695100000000 ] - [ -0.0005842000000000, -0.0003148700000000, 0.0002473700000000 ] - [ 0.0000625300000000, -0.0002875800000000, 0.0003174000000000 ] - [ -0.0000139200000000, -0.0002808700000000, 0.0003663000000000 ] - [ -0.0006922100000000, 0.0001008900000000, 0.0014113300000000 ] - [ 0.0004758900000000, 0.0002735700000000, 0.0003960900000000 ] - [ -0.0000350000000000, 0.0002979300000000, 0.0004026300000000 ] - [ 0.0000705800000000, 0.0002819100000000, 0.0003262600000000 ] - [ 0.0007639300000000, 0.0004055700000000, 0.0000070100000000 ] - [ -0.0001216600000000, 0.0003446900000000, 0.0005180700000000 ] - [ 0.0003675000000000, 0.0000588300000000, 0.0001309900000000 ] - [ 0.0001147900000000, 0.0000551200000000, 0.0002841800000000 ] - [ 0.0009050700000000, -0.0020479800000000, 0.0037806200000000 ] - [ -0.0006953300000000, 0.0000309800000000, 0.0004101500000000 ] - [ -0.0003201600000000, 0.0001399100000000, -0.0002775700000000 ] - [ -0.0003973800000000, 0.0000934400000000, -0.0002241800000000 ] - [ -0.0002401500000000, 0.0003696300000000, 0.0007103300000000 ] - [ 0.0050919200000000, 0.0063130800000000, 0.0037435400000000 ] - [ 0.0001591900000000, 0.0003883800000000, 0.0001578000000000 ] - [ 0.0002419600000000, 0.0002227200000000, -0.0000888600000000 ] - [ -0.0022755500000000, -0.0053064400000000, -0.0013641100000000 ] - [ -0.0007471900000000, 0.0012760100000000, -0.0013278800000000 ] - [ -0.0000025000000000, 0.0001740500000000, 0.0000564700000000 ] - [ -0.0001285700000000, -0.0001899900000000, -0.0000123700000000 ] - [ -0.0003456800000000, -0.0004382200000000, 0.0007028900000000 ] - [ 0.0001414600000000, 0.0006011400000000, 0.0008296400000000 ] - [ -0.0001631500000000, 0.0004118400000000, 0.0003601100000000 ] - [ 0.0001442500000000, -0.0003353400000000, 0.0002599400000000 ] - [ 0.0011237600000000, 0.0004915600000000, -0.0031628900000000 ] - [ -0.0064917300000000, 0.0003453000000000, 0.0019217900000000 ] - [ 0.0001941800000000, -0.0003159800000000, -0.0000876800000000 ] - [ 0.0001660800000000, -0.0002879700000000, 0.0000622300000000 ]- atom: 89 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0019817400000000, -0.0000194200000000, -0.0005540700000000 ] - [ -0.0013730900000000, 0.0003928600000000, 0.0020298200000000 ] - [ 0.0005420500000000, -0.0000167400000000, -0.0001587300000000 ] - [ 0.0004406700000000, 0.0000069700000000, -0.0000602700000000 ] - [ -0.0005908900000000, -0.0001173800000000, 0.0008828800000000 ] - [ 0.0019403300000000, 0.0006204300000000, 0.0011740600000000 ] - [ -0.0000031100000000, -0.0001185000000000, -0.0000592000000000 ] - [ 0.0000657400000000, -0.0001616200000000, -0.0001179600000000 ] - [ 0.0005679800000000, 0.0001082100000000, -0.0027056700000000 ] - [ -0.0015095700000000, 0.0017178600000000, -0.0015263100000000 ] - [ 0.0004505600000000, 0.0001835200000000, -0.0004019600000000 ] - [ 0.0004370400000000, 0.0000465300000000, -0.0003058400000000 ] - [ 0.0003190200000000, -0.0002454900000000, 0.0001638600000000 ] - [ 0.0011660500000000, 0.0010778300000000, 0.0004467600000000 ] - [ 0.0004549200000000, 0.0000913700000000, -0.0001257000000000 ] - [ 0.0005009300000000, -0.0002599300000000, -0.0003696500000000 ] - [ -0.0001573700000000, 0.0001599000000000, 0.0001736100000000 ] - [ -0.0002691000000000, -0.0003652600000000, -0.0000048800000000 ] - [ -0.0005016400000000, -0.0007733400000000, -0.0001946300000000 ] - [ -0.0003936200000000, 0.0005853900000000, -0.0001688100000000 ] - [ -0.0001605500000000, 0.0003845200000000, 0.0005253600000000 ] - [ 0.0000797100000000, -0.0004764000000000, 0.0006673000000000 ] - [ -0.0000902400000000, -0.0002035600000000, 0.0004180200000000 ] - [ -0.0001435500000000, 0.0002743200000000, 0.0003557800000000 ] - [ 0.0021093800000000, -0.0014011500000000, -0.0018111400000000 ] - [ -0.0000953100000000, -0.0003129300000000, -0.0000659300000000 ] - [ 0.0007088200000000, -0.0005252900000000, 0.0000523300000000 ] - [ 0.0005426000000000, -0.0006812800000000, 0.0001578000000000 ] - [ 0.0003192100000000, 0.0004905300000000, 0.0004630500000000 ] - [ 0.0009193000000000, 0.0007853800000000, 0.0002659400000000 ] - [ 0.0004703400000000, 0.0007975700000000, 0.0005250800000000 ] - [ 0.0008420100000000, 0.0005416500000000, 0.0001179700000000 ] - [ -0.0018911100000000, -0.0016224800000000, 0.0003617100000000 ] - [ -0.0004156100000000, 0.0004191500000000, -0.0007417700000000 ] - [ -0.0006525600000000, 0.0003567300000000, -0.0000520800000000 ] - [ -0.0005288300000000, 0.0002165600000000, -0.0001693600000000 ] - [ -0.0004628200000000, -0.0011632100000000, 0.0002520900000000 ] - [ -0.0007482900000000, -0.0002565600000000, 0.0002648200000000 ] - [ -0.0003833100000000, 0.0001018500000000, 0.0000269100000000 ] - [ -0.0007155900000000, -0.0003444800000000, 0.0000978200000000 ] - [ 0.0011989000000000, 0.0005620600000000, -0.0025447600000000 ] - [ -0.0021726300000000, -0.0007195000000000, -0.0002467000000000 ] - [ 0.0000459700000000, 0.0000872500000000, -0.0001644300000000 ] - [ 0.0000000700000000, 0.0002103500000000, -0.0000639000000000 ] - [ -0.0009795600000000, -0.0002838800000000, 0.0002197200000000 ] - [ -0.0005790600000000, 0.0026964200000000, 0.0032121800000000 ] - [ -0.0008439800000000, -0.0000945100000000, 0.0002151600000000 ] - [ -0.0008259900000000, -0.0002154200000000, 0.0002209600000000 ] - [ -0.0001661200000000, 0.0001583800000000, 0.0001251100000000 ] - [ 0.0024110400000000, 0.0001698100000000, -0.0027776600000000 ] - [ 0.0003748300000000, -0.0000372600000000, -0.0000389200000000 ] - [ 0.0006025200000000, -0.0000321400000000, -0.0001797400000000 ] - [ -0.0010834900000000, 0.0002874700000000, -0.0000989000000000 ] - [ 0.0037153700000000, 0.0005564900000000, -0.0049971900000000 ] - [ -0.0008563300000000, 0.0001304400000000, 0.0002031600000000 ] - [ -0.0008517900000000, 0.0001561400000000, 0.0002025200000000 ] - [ 0.0042121100000000, -0.0009733400000000, -0.0013915300000000 ] - [ 0.0000537800000000, 0.0002440300000000, 0.0015436700000000 ] - [ -0.0003266000000000, -0.0000853000000000, -0.0002774800000000 ] - [ -0.0003965600000000, -0.0001112900000000, -0.0002257500000000 ] - [ 0.0003542000000000, -0.0001345200000000, 0.0001122300000000 ] - [ 0.0000801500000000, -0.0002265900000000, 0.0003275200000000 ] - [ 0.0006003900000000, 0.0000442400000000, 0.0000542000000000 ] - [ -0.0002125800000000, 0.0000710300000000, 0.0003893100000000 ] - [ 0.0003617300000000, 0.0001437700000000, -0.0001951100000000 ] - [ 0.0009796000000000, -0.0040212500000000, -0.0006504100000000 ] - [ 0.0000304700000000, 0.0000584700000000, -0.0002903500000000 ] - [ -0.0000368400000000, 0.0002110300000000, -0.0001935500000000 ] - [ -0.0001306000000000, -0.0000592100000000, -0.0002418600000000 ] - [ 0.0001677300000000, -0.0005254400000000, -0.0003923200000000 ] - [ -0.0000519900000000, -0.0001649100000000, -0.0001889000000000 ] - [ 0.0000165400000000, 0.0002380000000000, -0.0004942700000000 ] - [ -0.0001513400000000, 0.0002023400000000, -0.0001577500000000 ] - [ 0.0003263900000000, 0.0015784600000000, -0.0034544600000000 ] - [ -0.0000917000000000, 0.0002831900000000, 0.0000415500000000 ] - [ -0.0000402000000000, 0.0002117300000000, 0.0000235800000000 ] - [ 0.0001414400000000, -0.0004270500000000, 0.0001499500000000 ] - [ 0.0007967800000000, 0.0018118100000000, 0.0003003100000000 ] - [ 0.0000149600000000, -0.0001586500000000, 0.0000732900000000 ] - [ -0.0001085300000000, -0.0004618600000000, 0.0000787700000000 ] - [ 0.0004694000000000, -0.0005655200000000, -0.0012167400000000 ] - [ -0.0004701900000000, -0.0000838600000000, -0.0002298200000000 ] - [ 0.0000395500000000, -0.0003051500000000, -0.0001545300000000 ] - [ -0.0000650100000000, -0.0003688100000000, -0.0000929400000000 ] - [ -0.0007387600000000, -0.0000856400000000, 0.0010776500000000 ] - [ 0.0002516900000000, 0.0005580500000000, -0.0000514500000000 ] - [ -0.0001616400000000, 0.0004868000000000, 0.0000362700000000 ] - [ 0.0001115000000000, 0.0002239600000000, -0.0001421900000000 ] - [ -0.0148953100000000, -0.0008496200000000, 0.0180640700000000 ] - [ 0.0006329600000000, -0.0002493700000000, 0.0004510500000000 ] - [ -0.0000171700000000, -0.0002764800000000, 0.0003823300000000 ] - [ 0.0000597900000000, -0.0002834300000000, 0.0003334400000000 ] - [ 0.0007399200000000, 0.0004653500000000, -0.0007132000000000 ] - [ -0.0004307900000000, 0.0002898400000000, 0.0003055400000000 ] - [ 0.0000814500000000, 0.0002659400000000, 0.0002962000000000 ] - [ -0.0000251200000000, 0.0002821900000000, 0.0003732900000000 ] - [ -0.0003061900000000, -0.0002130600000000, 0.0003635900000000 ] - [ 0.0005834500000000, -0.0001566400000000, -0.0001532600000000 ] - [ 0.0000916400000000, 0.0001303600000000, 0.0002357800000000 ] - [ 0.0003465900000000, 0.0001352100000000, 0.0000815000000000 ] - [ -0.0016535800000000, 0.0022704200000000, -0.0043230900000000 ] - [ -0.0000250000000000, 0.0001687600000000, -0.0009218900000000 ] - [ -0.0004045300000000, 0.0000588200000000, -0.0002337700000000 ] - [ -0.0003261600000000, 0.0001060200000000, -0.0002876700000000 ] - [ 0.0006133600000000, 0.0002423200000000, -0.0007388700000000 ] - [ -0.0046632300000000, -0.0056673500000000, -0.0037555100000000 ] - [ 0.0002264800000000, 0.0002227700000000, -0.0001769100000000 ] - [ 0.0001352400000000, 0.0003817200000000, 0.0000571600000000 ] - [ 0.0022243400000000, 0.0053304500000000, 0.0014950700000000 ] - [ 0.0006863900000000, -0.0012529900000000, 0.0015197700000000 ] - [ -0.0000726300000000, -0.0001490400000000, 0.0001235600000000 ] - [ 0.0000547000000000, 0.0002222300000000, 0.0001908700000000 ] - [ 0.0002712900000000, 0.0004129300000000, -0.0005223600000000 ] - [ -0.0002051900000000, -0.0006269300000000, -0.0006446600000000 ] - [ 0.0000983700000000, -0.0004433700000000, -0.0001804400000000 ] - [ -0.0002208200000000, 0.0003094400000000, -0.0000744500000000 ] - [ -0.0006986000000000, -0.0010942400000000, 0.0031785200000000 ] - [ 0.0069242300000000, -0.0009505400000000, -0.0019819100000000 ] - [ 0.0001801800000000, -0.0002916700000000, 0.0000609600000000 ] - [ 0.0002060700000000, -0.0003248100000000, -0.0000872900000000 ]- atom: 105 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0003198100000000, -0.0014342800000000, 0.0034902800000000 ] - [ -0.0004608800000000, 0.0000744000000000, -0.0021612600000000 ] - [ 0.0006844200000000, -0.0000095000000000, 0.0000826700000000 ] - [ 0.0003325800000000, -0.0000852100000000, -0.0003918300000000 ] - [ 0.0722486500000000, -0.0673262500000000, 0.0298990000000000 ] - [ -0.0039277100000000, -0.0000480000000000, -0.0001780000000000 ] - [ 0.0001974800000000, -0.0003746600000000, -0.0000169100000000 ] - [ -0.0001262100000000, -0.0000593200000000, -0.0001231700000000 ] - [ 0.0002878400000000, -0.0000013800000000, 0.0016583900000000 ] - [ 0.0004036100000000, -0.0002882100000000, -0.0020662300000000 ] - [ 0.0005109100000000, -0.0004198500000000, 0.0001074000000000 ] - [ 0.0004082100000000, 0.0006660600000000, -0.0009078700000000 ] - [ 0.0213589100000000, 0.0141847900000000, 0.0126196500000000 ] - [ -0.0015699300000000, 0.0002390000000000, -0.0004757200000000 ] - [ 0.0005917800000000, -0.0000467400000000, -0.0002787900000000 ] - [ 0.0003185700000000, -0.0002572900000000, -0.0004139300000000 ] - [ -0.0009536900000000, -0.0009195300000000, 0.0009307700000000 ] - [ -0.0001354300000000, 0.0011054800000000, -0.0010246900000000 ] - [ -0.0001110500000000, 0.0003051600000000, 0.0007263900000000 ] - [ -0.0002532000000000, -0.0006250800000000, -0.0003826900000000 ] - [ 0.0009808200000000, 0.0002191800000000, 0.0003067000000000 ] - [ -0.0005548800000000, -0.0001853800000000, 0.0002373400000000 ] - [ 0.0018479100000000, -0.0038678300000000, 0.0002777400000000 ] - [ -0.0011458800000000, 0.0004660600000000, 0.0000926900000000 ] - [ -0.0001186400000000, -0.0005512100000000, 0.0004145400000000 ] - [ 0.0017091700000000, -0.0009368700000000, -0.0000913500000000 ] - [ -0.0000643700000000, -0.0006922100000000, -0.0000141200000000 ] - [ 0.0019780400000000, -0.0004769400000000, 0.0000221400000000 ] - [ 0.0007639200000000, -0.0003254900000000, -0.0006546300000000 ] - [ -0.0012589100000000, 0.0021991200000000, 0.0017564500000000 ] - [ 0.0007644200000000, 0.0010622600000000, -0.0000872200000000 ] - [ 0.0005384000000000, 0.0003251300000000, 0.0003207600000000 ] - [ -0.0019004600000000, 0.0018775200000000, 0.0008858300000000 ] - [ -0.0005099400000000, -0.0023032200000000, -0.0007759100000000 ] - [ -0.0011917400000000, -0.0003339800000000, 0.0000787700000000 ] - [ -0.0005738600000000, 0.0013655300000000, -0.0007703300000000 ] - [ -0.0002783000000000, -0.0008303100000000, -0.0036484600000000 ] - [ -0.0009508500000000, -0.0003911600000000, 0.0008573000000000 ] - [ -0.0005171500000000, -0.0002578600000000, -0.0002004000000000 ] - [ -0.0006163200000000, -0.0003481600000000, 0.0000060100000000 ] - [ -0.0000960600000000, 0.0006735900000000, 0.0018365600000000 ] - [ -0.0004497000000000, -0.0003571500000000, -0.0032145400000000 ] - [ 0.0000448400000000, 0.0000522600000000, -0.0000254800000000 ] - [ -0.0000056600000000, 0.0001544500000000, -0.0002202800000000 ] - [ 0.1855195800000000, 0.0148968700000000, -0.0029967400000000 ] - [ -0.0059771900000000, -0.0003010900000000, 0.0003031800000000 ] - [ -0.0006178400000000, -0.0002146400000000, 0.0002623800000000 ] - [ -0.0010656100000000, -0.0001562000000000, 0.0001789700000000 ] - [ 0.0523860000000000, 0.0178371600000000, -0.0550902800000000 ] - [ -0.0024224300000000, 0.0004896300000000, -0.0003144700000000 ] - [ 0.0006281900000000, -0.0000017300000000, -0.0000149400000000 ] - [ 0.0003476900000000, -0.0000654400000000, -0.0001659500000000 ] - [ -0.0010160500000000, 0.0005475900000000, 0.0020079900000000 ] - [ -0.0015405900000000, 0.0001637100000000, -0.0017199500000000 ] - [ -0.0006983100000000, 0.0001120100000000, 0.0003061200000000 ] - [ -0.0010516000000000, 0.0000650300000000, 0.0000641800000000 ] - [ 0.0084757000000000, -0.0050965300000000, -0.0060734800000000 ] - [ 0.0046985800000000, 0.0027577100000000, 0.0029318400000000 ] - [ -0.0003672500000000, 0.0000385300000000, -0.0002844500000000 ] - [ -0.0003416600000000, -0.0002176500000000, -0.0002335200000000 ] - [ -0.0005373300000000, 0.0041579600000000, -0.0008842500000000 ] - [ 0.0012237400000000, -0.0008266800000000, 0.0005162300000000 ] - [ -0.0000826000000000, -0.0006209800000000, -0.0000131800000000 ] - [ 0.0005783000000000, 0.0001742800000000, 0.0002251500000000 ] - [ -0.0001663800000000, 0.0000905800000000, -0.0005184600000000 ] - [ 0.0001905600000000, 0.0000964900000000, 0.0000986100000000 ] - [ -0.0001901400000000, 0.0002484500000000, -0.0007517500000000 ] - [ 0.0003205300000000, 0.0002419800000000, 0.0001729700000000 ] - [ 0.0010758500000000, -0.0091983600000000, -0.0022379300000000 ] - [ 0.0014957700000000, 0.0006076300000000, -0.0000999300000000 ] - [ -0.0002388400000000, 0.0002602600000000, -0.0003715100000000 ] - [ 0.0002444800000000, -0.0002732800000000, -0.0001939200000000 ] - [ -0.0032247100000000, 0.0077259400000000, -0.0025534500000000 ] - [ 0.0010597000000000, 0.0001254300000000, 0.0002131200000000 ] - [ -0.0005521100000000, 0.0001417800000000, -0.0001805900000000 ] - [ 0.0001938600000000, 0.0002868900000000, 0.0001464200000000 ] - [ 0.0008966200000000, 0.0002047100000000, -0.0029504200000000 ] - [ 0.0007199500000000, -0.0006811000000000, 0.0016044600000000 ] - [ -0.0001337200000000, -0.0002517700000000, -0.0000444400000000 ] - [ 0.0000214600000000, -0.0001877200000000, 0.0001509200000000 ] - [ 0.0011705400000000, -0.0031522800000000, 0.0013189200000000 ] - [ 0.0007833700000000, 0.0008619200000000, -0.0007193100000000 ] - [ 0.0001849900000000, 0.0001811000000000, 0.0000209100000000 ] - [ 0.0000770200000000, -0.0007710200000000, -0.0002425000000000 ] - [ 0.0004750800000000, 0.0002174200000000, -0.0000781500000000 ] - [ -0.0017358300000000, -0.0019820900000000, 0.0045961200000000 ] - [ 0.0000617300000000, 0.0003023300000000, -0.0001159100000000 ] - [ -0.0001102800000000, 0.0004576000000000, -0.0000962200000000 ] - [ 0.0009680100000000, -0.0002273900000000, 0.0004759100000000 ] - [ -0.0045889600000000, 0.0012588100000000, 0.0031208900000000 ] - [ 0.0001329700000000, -0.0002002500000000, 0.0003843100000000 ] - [ -0.0001064400000000, -0.0003078400000000, 0.0003275700000000 ] - [ 0.0079927000000000, 0.0001891700000000, 0.0068717100000000 ] - [ 0.0053350500000000, 0.0000236000000000, -0.0041303600000000 ] - [ 0.0000710500000000, 0.0002913900000000, 0.0003899400000000 ] - [ -0.0000199200000000, 0.0003229700000000, 0.0003003700000000 ] - [ 0.0000687400000000, 0.0003379500000000, -0.0000371800000000 ] - [ 0.0003789500000000, 0.0000460800000000, 0.0004758900000000 ] - [ -0.0003725300000000, -0.0000799300000000, -0.0003025400000000 ] - [ 0.0005605100000000, 0.0001719800000000, 0.0004834500000000 ] - [ -0.0050567500000000, 0.0005075100000000, -0.0024015800000000 ] - [ 0.0003974400000000, 0.0001045700000000, -0.0004946100000000 ] - [ -0.0003880000000000, 0.0001630400000000, -0.0002417700000000 ] - [ -0.0003397500000000, 0.0001195900000000, -0.0002591100000000 ] - [ -0.3500200600000000, 0.0210356600000000, 0.0145363500000000 ] - [ 0.0058037700000000, -0.0001625600000000, 0.0001265300000000 ] - [ -0.0001018000000000, 0.0003968700000000, -0.0001315700000000 ] - [ 0.0004632900000000, 0.0003551900000000, 0.0000447000000000 ] - [ 0.0008177500000000, -0.0006303000000000, -0.0015592700000000 ] - [ -0.0009677700000000, 0.0016276000000000, 0.0020056200000000 ] - [ 0.0008130100000000, 0.0009057600000000, -0.0002199300000000 ] - [ -0.0009697600000000, -0.0012032700000000, 0.0010661000000000 ] - [ 0.0049164600000000, 0.0063098900000000, 0.0055923500000000 ] - [ 0.0023603400000000, -0.0007160300000000, -0.0006858100000000 ] - [ -0.0002738300000000, -0.0003546900000000, 0.0002896300000000 ] - [ 0.0001794900000000, 0.0002211000000000, 0.0000325300000000 ] - [ 0.0006345700000000, -0.0008254700000000, -0.0040668100000000 ] - [ 0.0015636700000000, 0.0003486600000000, 0.0032724000000000 ] - [ 0.0000158600000000, -0.0000523900000000, -0.0003653200000000 ] - [ 0.0004536300000000, -0.0004866700000000, 0.0004432700000000 ]- atom: 105 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0006647100000000, 0.0014213200000000, -0.0037430200000000 ] - [ 0.0014408200000000, -0.0000804600000000, 0.0019172300000000 ] - [ 0.0002952100000000, -0.0000035900000000, -0.0003280800000000 ] - [ 0.0006414900000000, 0.0000799300000000, 0.0001691800000000 ] - [ -0.0717253700000000, 0.0648633500000000, -0.0291328900000000 ] - [ 0.0039591500000000, -0.0002160300000000, -0.0000304100000000 ] - [ -0.0001408200000000, 0.0000873300000000, -0.0001837500000000 ] - [ 0.0001883600000000, -0.0002378500000000, -0.0000748200000000 ] - [ 0.0006212100000000, 0.0002293600000000, -0.0023167900000000 ] - [ 0.0005025800000000, 0.0005247000000000, 0.0013878600000000 ] - [ 0.0004000000000000, 0.0006404800000000, -0.0007700100000000 ] - [ 0.0004948500000000, -0.0004176500000000, 0.0002218500000000 ] - [ -0.0206804300000000, -0.0145305000000000, -0.0133699700000000 ] - [ 0.0024575500000000, -0.0005261100000000, -0.0002457500000000 ] - [ 0.0003141800000000, -0.0001912200000000, -0.0003993300000000 ] - [ 0.0005933300000000, 0.0000398700000000, -0.0002458600000000 ] - [ 0.0006801700000000, 0.0009178400000000, -0.0004680100000000 ] - [ -0.0001468900000000, -0.0011196400000000, 0.0014801400000000 ] - [ -0.0001688200000000, -0.0003107000000000, -0.0002700300000000 ] - [ -0.0000316200000000, 0.0006124000000000, 0.0008363200000000 ] - [ -0.0012723700000000, -0.0001978400000000, 0.0001419800000000 ] - [ 0.0002782100000000, 0.0001850900000000, 0.0002214400000000 ] - [ -0.0021461400000000, 0.0039189900000000, 0.0001815400000000 ] - [ 0.0008510700000000, -0.0004367000000000, 0.0003511700000000 ] - [ 0.0013997700000000, -0.0006778200000000, -0.0001027100000000 ] - [ -0.0004213800000000, -0.0002949000000000, 0.0004025500000000 ] - [ 0.0013312100000000, -0.0005364100000000, 0.0003274400000000 ] - [ -0.0006912900000000, -0.0007517200000000, 0.0002875700000000 ] - [ 0.0005637300000000, 0.0015610300000000, 0.0009700200000000 ] - [ 0.0025711300000000, -0.0009684000000000, -0.0014494500000000 ] - [ 0.0005306700000000, 0.0001675100000000, 0.0003982100000000 ] - [ 0.0007378800000000, 0.0009056300000000, -0.0000093500000000 ] - [ 0.0007305900000000, -0.0013391100000000, -0.0010148100000000 ] - [ -0.0006607700000000, 0.0028363500000000, 0.0006583500000000 ] - [ 0.0000315300000000, 0.0008571600000000, -0.0002217700000000 ] - [ -0.0005976000000000, -0.0008380000000000, 0.0006514600000000 ] - [ -0.0008967100000000, 0.0003118300000000, 0.0035688000000000 ] - [ -0.0002263900000000, -0.0001483600000000, -0.0009590100000000 ] - [ -0.0006570300000000, -0.0002745700000000, 0.0000892300000000 ] - [ -0.0005492300000000, -0.0001757100000000, -0.0001405000000000 ] - [ 0.0001567500000000, -0.0003726900000000, -0.0020203100000000 ] - [ 0.0005152900000000, 0.0006595700000000, 0.0030210400000000 ] - [ 0.0000218600000000, 0.0002528000000000, -0.0001681100000000 ] - [ 0.0000572300000000, 0.0001288800000000, 0.0000159800000000 ] - [ -0.1992999400000000, -0.0166512200000000, 0.0036167900000000 ] - [ 0.0042769800000000, 0.0000137300000000, 0.0001098700000000 ] - [ -0.0010764700000000, -0.0000692200000000, 0.0001503300000000 ] - [ -0.0006363300000000, -0.0001296300000000, 0.0002332100000000 ] - [ -0.0517676800000000, -0.0175788400000000, 0.0540999300000000 ] - [ 0.0033782200000000, -0.0004915000000000, 0.0001165800000000 ] - [ 0.0003480000000000, 0.0000141900000000, -0.0002156900000000 ] - [ 0.0006308500000000, 0.0000789700000000, -0.0000713100000000 ] - [ -0.0006923400000000, -0.0002621200000000, -0.0015931100000000 ] - [ -0.0001619800000000, 0.0001219400000000, 0.0021306300000000 ] - [ -0.0010140900000000, 0.0001762300000000, 0.0001057100000000 ] - [ -0.0006369100000000, 0.0002232400000000, 0.0003482600000000 ] - [ -0.0090981000000000, 0.0048099200000000, 0.0054787000000000 ] - [ -0.0054569400000000, -0.0029675700000000, -0.0034515700000000 ] - [ -0.0003554700000000, -0.0002397200000000, -0.0002266500000000 ] - [ -0.0003805300000000, 0.0000169000000000, -0.0002783800000000 ] - [ 0.0009768700000000, -0.0043420300000000, 0.0012580400000000 ] - [ -0.0007631000000000, 0.0006359300000000, -0.0001516900000000 ] - [ 0.0005423900000000, 0.0004308900000000, 0.0003799200000000 ] - [ -0.0001171700000000, -0.0003663300000000, 0.0001411500000000 ] - [ 0.0001557300000000, 0.0000784800000000, 0.0000106000000000 ] - [ -0.0001990300000000, 0.0000733500000000, -0.0006075100000000 ] - [ 0.0001820200000000, -0.0000792500000000, 0.0002454700000000 ] - [ -0.0003308000000000, -0.0000745300000000, -0.0006848500000000 ] - [ -0.0010909700000000, 0.0090932400000000, 0.0017409400000000 ] - [ -0.0015010800000000, -0.0007679600000000, -0.0004066900000000 ] - [ 0.0002308100000000, -0.0004322400000000, -0.0001371400000000 ] - [ -0.0002534700000000, 0.0001014200000000, -0.0003129100000000 ] - [ 0.0031170000000000, -0.0072244800000000, 0.0026378400000000 ] - [ -0.0011849900000000, 0.0003936600000000, -0.0001325400000000 ] - [ 0.0004273300000000, 0.0003798900000000, 0.0002609100000000 ] - [ -0.0003220500000000, 0.0002358200000000, -0.0000673300000000 ] - [ -0.0010210800000000, -0.0007207800000000, 0.0030086000000000 ] - [ -0.0008504400000000, 0.0001598600000000, -0.0015278500000000 ] - [ 0.0000064100000000, -0.0002737400000000, 0.0001229800000000 ] - [ -0.0001485300000000, -0.0003380900000000, -0.0000721100000000 ] - [ -0.0011926600000000, 0.0024740600000000, -0.0015315200000000 ] - [ -0.0008098900000000, -0.0015188300000000, 0.0004959100000000 ] - [ -0.0002149200000000, -0.0008408800000000, -0.0002433200000000 ] - [ -0.0001034600000000, 0.0001152900000000, 0.0000196900000000 ] - [ -0.0004985400000000, 0.0004429300000000, -0.0001509200000000 ] - [ 0.0017129100000000, 0.0026550500000000, -0.0048430300000000 ] - [ -0.0000882700000000, 0.0003517200000000, -0.0001075000000000 ] - [ 0.0000826600000000, 0.0001968300000000, -0.0001269300000000 ] - [ -0.0009177000000000, -0.0003357500000000, 0.0002222100000000 ] - [ 0.0046530900000000, -0.0018219200000000, -0.0024114300000000 ] - [ -0.0000868300000000, -0.0003635700000000, 0.0003158100000000 ] - [ 0.0001516000000000, -0.0002560000000000, 0.0003732500000000 ] - [ -0.0078673000000000, 0.0003760700000000, -0.0060727700000000 ] - [ -0.0053256000000000, 0.0005379300000000, 0.0048455900000000 ] - [ -0.0000255800000000, 0.0002700100000000, 0.0003112500000000 ] - [ 0.0000656600000000, 0.0002383900000000, 0.0004005500000000 ] - [ 0.0003932700000000, -0.0001494000000000, 0.0004030000000000 ] - [ 0.0000814900000000, 0.0001425700000000, -0.0001103300000000 ] - [ 0.0008385000000000, 0.0002684600000000, 0.0006674000000000 ] - [ -0.0001014400000000, 0.0000188000000000, -0.0001174600000000 ] - [ 0.0043529500000000, -0.0002957200000000, 0.0018716500000000 ] - [ -0.0011169500000000, 0.0000958000000000, -0.0000145900000000 ] - [ -0.0003343900000000, 0.0000348400000000, -0.0002701900000000 ] - [ -0.0003831900000000, 0.0000790400000000, -0.0002518200000000 ] - [ 0.3623121100000000, -0.0169224000000000, -0.0150386500000000 ] - [ -0.0053324500000000, 0.0007746300000000, -0.0001671700000000 ] - [ 0.0004977200000000, 0.0002138500000000, 0.0001099600000000 ] - [ -0.0000608500000000, 0.0002511000000000, -0.0000777000000000 ] - [ -0.0008899200000000, 0.0006526000000000, 0.0017430300000000 ] - [ 0.0009009600000000, -0.0015968600000000, -0.0018243100000000 ] - [ -0.0008895700000000, -0.0008801000000000, 0.0004175900000000 ] - [ 0.0008898100000000, 0.0012315700000000, -0.0008774000000000 ] - [ -0.0050090200000000, -0.0063664900000000, -0.0054302500000000 ] - [ -0.0024723100000000, 0.0007157300000000, 0.0009051900000000 ] - [ 0.0002106700000000, 0.0003249500000000, -0.0001022700000000 ] - [ -0.0002698300000000, -0.0002481700000000, 0.0001621400000000 ] - [ -0.0002355900000000, 0.0002130100000000, 0.0040399200000000 ] - [ -0.0011768400000000, -0.0009735300000000, -0.0032839800000000 ] - [ 0.0003895400000000, -0.0005661700000000, 0.0003368700000000 ] - [ -0.0000606300000000, -0.0001233300000000, -0.0004811900000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011198900000000, 0.0008883400000000, 0.0022330100000000 ] - [ 0.0018461900000000, 0.0008798200000000, 0.0013532300000000 ] - [ 0.0009269000000000, -0.0013228200000000, -0.0004086900000000 ] - [ 0.0001636700000000, -0.0012857900000000, -0.0003744600000000 ] - [ -0.0626230700000000, 0.1302430100000000, -0.0462428400000000 ] - [ -0.0004633800000000, 0.0012859400000000, -0.0003236700000000 ] - [ 0.0003894300000000, -0.0024045900000000, 0.0002851800000000 ] - [ 0.0002776800000000, -0.0014314400000000, 0.0000896400000000 ] - [ 0.0006009000000000, 0.0004439900000000, -0.0011338100000000 ] - [ 0.0001513000000000, 0.0005362100000000, -0.0008089900000000 ] - [ 0.0007399000000000, -0.0015242000000000, 0.0004431900000000 ] - [ 0.0008262100000000, -0.0014774600000000, 0.0004182100000000 ] - [ 0.0148227400000000, 0.0660464500000000, 0.0446011000000000 ] - [ 0.0008113300000000, 0.0024587600000000, 0.0010601100000000 ] - [ 0.0000608600000000, -0.0029789100000000, -0.0016909000000000 ] - [ 0.0002098900000000, -0.0017263500000000, -0.0010809700000000 ] - [ -0.0010312900000000, -0.0002300100000000, 0.0010262100000000 ] - [ 0.0002478700000000, 0.0003677800000000, -0.0000779000000000 ] - [ -0.0002033100000000, -0.0012504300000000, -0.0004934500000000 ] - [ -0.0006583600000000, -0.0012719200000000, -0.0002514600000000 ] - [ 0.0001870600000000, -0.0038615500000000, 0.0015472700000000 ] - [ 0.0001351500000000, -0.0008221300000000, 0.0003904200000000 ] - [ 0.0011474500000000, -0.0073611400000000, -0.0014712800000000 ] - [ -0.0005389300000000, 0.0003462600000000, 0.0003478900000000 ] - [ 0.0013429200000000, -0.0010857900000000, -0.0002095200000000 ] - [ -0.0002311700000000, -0.0020521600000000, -0.0010429400000000 ] - [ 0.0003893300000000, -0.0009543000000000, -0.0002088100000000 ] - [ 0.0020199000000000, -0.0020115400000000, 0.0014676500000000 ] - [ -0.0071915000000000, -0.0029947000000000, -0.0032807900000000 ] - [ 0.0022164900000000, 0.0016166500000000, 0.0001371300000000 ] - [ 0.0009905600000000, -0.0012912500000000, 0.0004837300000000 ] - [ 0.0002352600000000, -0.0002553200000000, 0.0001801800000000 ] - [ 0.0015176100000000, -0.0015990100000000, -0.0017722500000000 ] - [ -0.0021745200000000, -0.0007862400000000, -0.0012163500000000 ] - [ -0.0017269400000000, -0.0010024800000000, 0.0004756500000000 ] - [ 0.0002401500000000, -0.0006812300000000, 0.0001240500000000 ] - [ 0.0006818900000000, -0.0010972500000000, -0.0103174200000000 ] - [ -0.0005482200000000, 0.0007294000000000, 0.0005381400000000 ] - [ -0.0006926800000000, -0.0018174000000000, 0.0007394900000000 ] - [ -0.0005926100000000, -0.0012288400000000, -0.0000609500000000 ] - [ 0.0002016400000000, 0.0027930700000000, 0.0002595100000000 ] - [ 0.0003026200000000, 0.0028982200000000, 0.0001494000000000 ] - [ -0.0002358400000000, -0.0013798500000000, -0.0003780200000000 ] - [ -0.0002866300000000, -0.0014383200000000, -0.0003899700000000 ] - [ 0.0134163300000000, 0.0324246600000000, -0.0009170000000000 ] - [ 0.0004139700000000, 0.0021312400000000, 0.0002006000000000 ] - [ -0.0010203800000000, -0.0015665400000000, 0.0001786000000000 ] - [ -0.0010077700000000, -0.0012338800000000, 0.0001591900000000 ] - [ 0.0190562000000000, 0.0462551900000000, -0.0485369700000000 ] - [ 0.0003537200000000, 0.0016713900000000, -0.0008883000000000 ] - [ 0.0004543300000000, -0.0014204700000000, -0.0000328300000000 ] - [ 0.0004723500000000, -0.0010761600000000, -0.0000017800000000 ] - [ -0.0012229800000000, 0.0017992200000000, 0.0003982000000000 ] - [ -0.0005171800000000, 0.0015335800000000, 0.0018842600000000 ] - [ -0.0005948500000000, -0.0008381400000000, 0.0002258500000000 ] - [ -0.0008297800000000, -0.0012037600000000, 0.0000904000000000 ] - [ -0.0060627200000000, -0.0021979700000000, 0.0044078600000000 ] - [ 0.0012887700000000, -0.0004907600000000, 0.0004197300000000 ] - [ -0.0003917900000000, 0.0008264500000000, -0.0002427800000000 ] - [ -0.0004880900000000, 0.0007115400000000, -0.0001590700000000 ] - [ 0.0040280100000000, 0.0080766800000000, -0.0042707200000000 ] - [ 0.0001021600000000, -0.0007127900000000, 0.0004188900000000 ] - [ 0.0001343200000000, 0.0016258200000000, 0.0005729500000000 ] - [ 0.0004053600000000, 0.0005253200000000, 0.0000580500000000 ] - [ -0.0000570200000000, 0.0005107600000000, 0.0002267500000000 ] - [ 0.0000184100000000, 0.0004547000000000, -0.0006277600000000 ] - [ -0.0000001700000000, 0.0004519400000000, -0.0007650700000000 ] - [ 0.0003374100000000, 0.0010066100000000, 0.0007191700000000 ] - [ -0.0087558500000000, 0.0046945400000000, 0.0002873900000000 ] - [ 0.0018458600000000, -0.0008339000000000, -0.0005219300000000 ] - [ 0.0002870800000000, 0.0011896300000000, -0.0002488000000000 ] - [ -0.0003934300000000, 0.0007976700000000, -0.0002696400000000 ] - [ 0.0073937000000000, 0.0106292000000000, -0.0032136400000000 ] - [ -0.0011667800000000, 0.0001217800000000, -0.0000283000000000 ] - [ -0.0005746000000000, 0.0019679800000000, -0.0002043200000000 ] - [ 0.0002983700000000, 0.0009785500000000, 0.0000538600000000 ] - [ 0.0005809900000000, -0.0013686200000000, -0.0012506500000000 ] - [ 0.0006014300000000, -0.0023167000000000, 0.0010466800000000 ] - [ -0.0000822600000000, 0.0006838100000000, 0.0001041100000000 ] - [ -0.0001132700000000, 0.0007560400000000, -0.0000250400000000 ] - [ -0.0030555500000000, 0.0044651700000000, -0.0025496900000000 ] - [ 0.0007647600000000, -0.0003165800000000, -0.0002741300000000 ] - [ 0.0006142600000000, 0.0016154700000000, -0.0001704100000000 ] - [ -0.0003482900000000, 0.0002056800000000, -0.0000832700000000 ] - [ -0.0002218100000000, -0.0012327800000000, 0.0007344900000000 ] - [ -0.0020083000000000, -0.0006425500000000, -0.0027850500000000 ] - [ -0.0000133800000000, 0.0012535700000000, -0.0001567200000000 ] - [ -0.0000214100000000, 0.0013689400000000, -0.0000125700000000 ] - [ -0.0001837900000000, -0.0010209600000000, 0.0002865200000000 ] - [ 0.0014323400000000, 0.0004419700000000, 0.0085088700000000 ] - [ 0.0000758100000000, 0.0005517300000000, 0.0004854500000000 ] - [ 0.0001034300000000, 0.0006409400000000, 0.0003083700000000 ] - [ 0.0001298900000000, -0.0068458200000000, -0.0005372600000000 ] - [ 0.0003208500000000, -0.0015204800000000, -0.0002263400000000 ] - [ -0.0000604200000000, 0.0013481800000000, 0.0003062600000000 ] - [ -0.0000498300000000, 0.0011220300000000, 0.0002813600000000 ] - [ 0.0005315600000000, 0.0007321300000000, -0.0001825200000000 ] - [ -0.0000812700000000, 0.0005928500000000, 0.0001594800000000 ] - [ -0.0010832100000000, 0.0008503600000000, 0.0009283400000000 ] - [ 0.0009922400000000, 0.0003913500000000, 0.0003818900000000 ] - [ 0.0002781000000000, -0.0062355900000000, -0.0041696300000000 ] - [ -0.0006306600000000, -0.0010750700000000, -0.0003487200000000 ] - [ -0.0002875900000000, 0.0011954400000000, -0.0002917800000000 ] - [ -0.0002673100000000, 0.0008581300000000, -0.0003577600000000 ] - [ 0.0160403100000000, -0.2991475800000000, 0.0472519200000000 ] - [ -0.0002804800000000, -0.0023532600000000, -0.0001685200000000 ] - [ 0.0002836700000000, 0.0032454600000000, 0.0003460900000000 ] - [ 0.0002449600000000, 0.0021641900000000, 0.0001174000000000 ] - [ -0.0009228400000000, 0.0012774400000000, 0.0022200000000000 ] - [ 0.0011766700000000, 0.0010158400000000, 0.0014879300000000 ] - [ 0.0006077900000000, 0.0012799700000000, -0.0008023800000000 ] - [ -0.0016540800000000, 0.0010106700000000, -0.0005493100000000 ] - [ 0.0063745400000000, 0.0233986800000000, 0.0190073400000000 ] - [ -0.0007544000000000, -0.0020509300000000, -0.0010989500000000 ] - [ -0.0003672100000000, 0.0038624200000000, -0.0003737400000000 ] - [ 0.0002075400000000, 0.0015299200000000, 0.0003362000000000 ] - [ 0.0007085700000000, -0.0027529000000000, -0.0012095700000000 ] - [ -0.0004717000000000, -0.0023248000000000, -0.0012739800000000 ] - [ -0.0000665700000000, 0.0017780900000000, 0.0000838600000000 ] - [ 0.0003683900000000, 0.0018485500000000, 0.0000276300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021074800000000, -0.0009055700000000, -0.0024740900000000 ] - [ -0.0008629400000000, -0.0008946300000000, -0.0015788500000000 ] - [ 0.0000555600000000, 0.0013135100000000, 0.0001782600000000 ] - [ 0.0008183400000000, 0.0012768100000000, 0.0001408400000000 ] - [ 0.0669325900000000, -0.1358896100000000, 0.0491138900000000 ] - [ 0.0005262500000000, -0.0015869900000000, 0.0001269300000000 ] - [ -0.0003288300000000, 0.0021093200000000, -0.0004847800000000 ] - [ -0.0002124400000000, 0.0011287600000000, -0.0002852400000000 ] - [ 0.0003055400000000, -0.0002106900000000, 0.0004552900000000 ] - [ 0.0007589500000000, -0.0003086500000000, 0.0001424500000000 ] - [ 0.0001689100000000, 0.0017505800000000, -0.0011086400000000 ] - [ 0.0000860200000000, 0.0017061900000000, -0.0010833500000000 ] - [ -0.0129040800000000, -0.0636230500000000, -0.0421697300000000 ] - [ 0.0000974600000000, -0.0026878600000000, -0.0017307400000000 ] - [ 0.0008446500000000, 0.0027434100000000, 0.0010139700000000 ] - [ 0.0006974000000000, 0.0014919600000000, 0.0004066300000000 ] - [ 0.0007421400000000, 0.0002300500000000, -0.0005620200000000 ] - [ -0.0005241100000000, -0.0003654200000000, 0.0005367000000000 ] - [ -0.0000819600000000, 0.0012352100000000, 0.0009449600000000 ] - [ 0.0003804400000000, 0.0012679400000000, 0.0007090700000000 ] - [ -0.0004856000000000, 0.0038865500000000, -0.0011041400000000 ] - [ -0.0004164000000000, 0.0008278300000000, 0.0000636200000000 ] - [ -0.0014499300000000, 0.0074032200000000, 0.0018992000000000 ] - [ 0.0002559100000000, -0.0003314600000000, 0.0001043900000000 ] - [ -0.0000534100000000, -0.0001464300000000, 0.0005212400000000 ] - [ 0.0015195900000000, 0.0008295800000000, 0.0013639000000000 ] - [ 0.0008859000000000, -0.0002688000000000, 0.0005217500000000 ] - [ -0.0007238300000000, 0.0007769500000000, -0.0011447600000000 ] - [ 0.0085131100000000, 0.0042458600000000, 0.0035922900000000 ] - [ -0.0009205100000000, -0.0003841100000000, 0.0001698400000000 ] - [ 0.0002962300000000, 0.0025159300000000, -0.0001720400000000 ] - [ 0.0010544100000000, 0.0014836000000000, 0.0001303800000000 ] - [ -0.0026957900000000, 0.0021258400000000, 0.0016439400000000 ] - [ 0.0010164200000000, 0.0013193400000000, 0.0010956600000000 ] - [ 0.0005455400000000, 0.0015256300000000, -0.0006109400000000 ] - [ -0.0014070600000000, 0.0012069200000000, -0.0002559300000000 ] - [ -0.0018671100000000, 0.0005772000000000, 0.0102297200000000 ] - [ -0.0006230700000000, -0.0012533100000000, -0.0006668600000000 ] - [ -0.0004836500000000, 0.0012888500000000, -0.0008661600000000 ] - [ -0.0005808400000000, 0.0006985100000000, -0.0000656000000000 ] - [ -0.0001470300000000, -0.0025115000000000, -0.0004634300000000 ] - [ -0.0002425300000000, -0.0026076800000000, -0.0003491800000000 ] - [ 0.0002968100000000, 0.0016768200000000, 0.0001791000000000 ] - [ 0.0003489200000000, 0.0017383700000000, 0.0001933500000000 ] - [ -0.0142548400000000, -0.0324407400000000, 0.0013375400000000 ] - [ -0.0021162700000000, -0.0024178700000000, 0.0002078500000000 ] - [ -0.0006832400000000, 0.0012822300000000, 0.0002327100000000 ] - [ -0.0007057400000000, 0.0009462000000000, 0.0002512900000000 ] - [ -0.0179638600000000, -0.0467235600000000, 0.0480918800000000 ] - [ 0.0006270300000000, -0.0016595800000000, 0.0006541300000000 ] - [ 0.0005265100000000, 0.0014321600000000, -0.0001991700000000 ] - [ 0.0005109800000000, 0.0010890100000000, -0.0002387500000000 ] - [ -0.0004701800000000, -0.0015214500000000, 0.0000123100000000 ] - [ -0.0011872000000000, -0.0012506700000000, -0.0014693100000000 ] - [ -0.0011098600000000, 0.0011238200000000, 0.0001864600000000 ] - [ -0.0008772400000000, 0.0014916600000000, 0.0003205900000000 ] - [ 0.0053575300000000, 0.0020202600000000, -0.0049187600000000 ] - [ -0.0020232300000000, 0.0002976600000000, -0.0009401700000000 ] - [ -0.0003322500000000, -0.0010244100000000, -0.0002685400000000 ] - [ -0.0002366400000000, -0.0009101100000000, -0.0003520000000000 ] - [ -0.0035045300000000, -0.0081520400000000, 0.0046007000000000 ] - [ 0.0003591100000000, 0.0005204800000000, -0.0000535500000000 ] - [ 0.0003311000000000, -0.0018168700000000, -0.0002072600000000 ] - [ 0.0000547200000000, -0.0007148200000000, 0.0003076100000000 ] - [ 0.0000474200000000, -0.0003377300000000, -0.0007355900000000 ] - [ -0.0000278600000000, -0.0002799000000000, 0.0001186500000000 ] - [ -0.0000098000000000, -0.0002804000000000, 0.0002532600000000 ] - [ -0.0003483700000000, -0.0008377400000000, -0.0012280000000000 ] - [ 0.0086563100000000, -0.0047973900000000, -0.0007676800000000 ] - [ -0.0018535000000000, 0.0006580700000000, 0.0000175300000000 ] - [ -0.0002984200000000, -0.0013650900000000, -0.0002590400000000 ] - [ 0.0003828500000000, -0.0009676000000000, -0.0002380800000000 ] - [ -0.0075992200000000, -0.0102537900000000, 0.0033570700000000 ] - [ 0.0010375600000000, 0.0004054700000000, 0.0001086100000000 ] - [ 0.0004491400000000, -0.0014424800000000, 0.0002858800000000 ] - [ -0.0004236600000000, -0.0004558000000000, 0.0000261300000000 ] - [ -0.0006992200000000, 0.0008421600000000, 0.0013157400000000 ] - [ -0.0007263400000000, 0.0017910100000000, -0.0009697900000000 ] - [ -0.0000430200000000, -0.0012078700000000, -0.0000251300000000 ] - [ -0.0000126900000000, -0.0012803200000000, 0.0001039200000000 ] - [ 0.0030519700000000, -0.0051398200000000, 0.0023441100000000 ] - [ -0.0008001000000000, -0.0003374800000000, 0.0000521300000000 ] - [ -0.0006431300000000, -0.0022711700000000, -0.0000501900000000 ] - [ 0.0003181300000000, -0.0008617500000000, -0.0001399600000000 ] - [ 0.0001928600000000, 0.0018858700000000, -0.0009594300000000 ] - [ 0.0019655600000000, 0.0012819800000000, 0.0025473100000000 ] - [ -0.0000160400000000, -0.0005977600000000, -0.0000667000000000 ] - [ -0.0000075800000000, -0.0007141800000000, -0.0002122600000000 ] - [ 0.0002309300000000, 0.0004592500000000, 0.0004129600000000 ] - [ -0.0014059000000000, -0.0010060000000000, -0.0078818900000000 ] - [ -0.0000290800000000, -0.0011167100000000, 0.0002138800000000 ] - [ -0.0000568500000000, -0.0012044500000000, 0.0003904700000000 ] - [ -0.0001008200000000, 0.0074100100000000, 0.0012241500000000 ] - [ -0.0002805800000000, 0.0020886600000000, 0.0009349700000000 ] - [ 0.0001074600000000, -0.0007836800000000, 0.0003937200000000 ] - [ 0.0000961500000000, -0.0005580700000000, 0.0004185100000000 ] - [ -0.0000701600000000, -0.0005433500000000, 0.0005511100000000 ] - [ 0.0005421900000000, -0.0004007000000000, 0.0002044100000000 ] - [ 0.0015472500000000, -0.0006633400000000, -0.0005619200000000 ] - [ -0.0005304100000000, -0.0002049900000000, -0.0000173800000000 ] - [ -0.0009990800000000, 0.0064561000000000, 0.0036412700000000 ] - [ -0.0000959100000000, 0.0012753700000000, -0.0001620300000000 ] - [ -0.0004370200000000, -0.0009974400000000, -0.0002188700000000 ] - [ -0.0004572100000000, -0.0006593600000000, -0.0001536100000000 ] - [ -0.0218677800000000, 0.3025684200000000, -0.0532829300000000 ] - [ 0.0006659700000000, 0.0029733700000000, 0.0001506000000000 ] - [ 0.0001006500000000, -0.0026248500000000, -0.0003627400000000 ] - [ 0.0001342300000000, -0.0015450400000000, -0.0001368700000000 ] - [ 0.0008573600000000, -0.0012426600000000, -0.0020398300000000 ] - [ -0.0012575800000000, -0.0009766300000000, -0.0013220000000000 ] - [ -0.0006705500000000, -0.0012411200000000, 0.0009717100000000 ] - [ 0.0015687600000000, -0.0009728800000000, 0.0007168600000000 ] - [ -0.0064270400000000, -0.0234378000000000, -0.0187760900000000 ] - [ 0.0006756600000000, 0.0020072500000000, 0.0012725400000000 ] - [ 0.0003057300000000, -0.0039031300000000, 0.0005510500000000 ] - [ -0.0002783000000000, -0.0015632900000000, -0.0001603700000000 ] - [ -0.0003268600000000, 0.0021462700000000, 0.0012003800000000 ] - [ 0.0008563300000000, 0.0017163900000000, 0.0012433100000000 ] - [ 0.0004496800000000, -0.0023977100000000, -0.0001030500000000 ] - [ 0.0000145400000000, -0.0024705400000000, -0.0000472300000000 ]- atom: 105 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0027447400000000, 0.0008988800000000, -0.0035078000000000 ] - [ 0.0000076800000000, -0.0000386800000000, -0.0001065700000000 ] - [ 0.0008518600000000, -0.0003625900000000, -0.0006039300000000 ] - [ 0.0002598700000000, -0.0002398200000000, -0.0002566500000000 ] - [ -0.0153567900000000, -0.0040693000000000, 0.0261370200000000 ] - [ 0.0020998200000000, -0.0002342100000000, -0.0003701700000000 ] - [ -0.0000313100000000, -0.0004571000000000, 0.0001781400000000 ] - [ 0.0001316600000000, -0.0002136300000000, -0.0000913500000000 ] - [ 0.0012554200000000, -0.0006479600000000, -0.0014150300000000 ] - [ -0.0006476200000000, -0.0000578500000000, 0.0001743900000000 ] - [ 0.0006200600000000, 0.0011209300000000, -0.0010948600000000 ] - [ -0.0000356500000000, 0.0003504400000000, -0.0006274700000000 ] - [ -0.0003599200000000, 0.0291723000000000, 0.0401002700000000 ] - [ 0.0014782400000000, -0.0002828500000000, -0.0008988200000000 ] - [ 0.0003866700000000, -0.0001307000000000, -0.0002881400000000 ] - [ 0.0005021600000000, -0.0001951500000000, -0.0003947300000000 ] - [ 0.0024471200000000, 0.0029708300000000, -0.0003618800000000 ] - [ -0.0018236000000000, 0.0004208900000000, 0.0006880700000000 ] - [ -0.0000892200000000, -0.0004223200000000, 0.0000686200000000 ] - [ -0.0003482000000000, 0.0000731800000000, 0.0004982000000000 ] - [ -0.0007093600000000, 0.0005341100000000, -0.0000207100000000 ] - [ 0.0000501100000000, -0.0000347500000000, 0.0001599600000000 ] - [ 0.0006699100000000, -0.0057735900000000, -0.0004043900000000 ] - [ 0.0000976200000000, 0.0003081300000000, -0.0002383900000000 ] - [ 0.0012169100000000, -0.0007746500000000, 0.0000777200000000 ] - [ -0.0003568600000000, -0.0014456300000000, 0.0007902800000000 ] - [ 0.0019305700000000, -0.0004134500000000, -0.0000183800000000 ] - [ -0.0013001000000000, 0.0012019600000000, 0.0004991000000000 ] - [ -0.0054406900000000, -0.0025793100000000, -0.0020322000000000 ] - [ 0.0030080800000000, 0.0002617600000000, -0.0015123000000000 ] - [ 0.0003849100000000, 0.0005350000000000, 0.0002238800000000 ] - [ 0.0008033000000000, 0.0006705800000000, 0.0000071600000000 ] - [ -0.0002332400000000, -0.0009891800000000, 0.0001550400000000 ] - [ -0.0005537100000000, 0.0016494400000000, 0.0007947900000000 ] - [ 0.0000810000000000, 0.0011704500000000, 0.0007169200000000 ] - [ -0.0007036400000000, -0.0002817200000000, 0.0010940500000000 ] - [ -0.0003017100000000, -0.0016406800000000, -0.0037466700000000 ] - [ -0.0004756800000000, 0.0010715700000000, -0.0033109400000000 ] - [ -0.0005973300000000, -0.0002212700000000, -0.0001934400000000 ] - [ -0.0005972900000000, -0.0003797000000000, -0.0001817500000000 ] - [ 0.0029672000000000, -0.0005381000000000, -0.0028594300000000 ] - [ -0.0027834900000000, -0.0007288200000000, -0.0004639100000000 ] - [ 0.0001285000000000, 0.0002215800000000, -0.0002894900000000 ] - [ -0.0001085700000000, 0.0000709600000000, -0.0001898800000000 ] - [ -0.1150398400000000, -0.0105802800000000, 0.0261283400000000 ] - [ 0.0020545600000000, 0.0001534400000000, 0.0012504400000000 ] - [ -0.0008756500000000, -0.0002859000000000, 0.0002934900000000 ] - [ -0.0007936700000000, -0.0001714600000000, 0.0002507200000000 ] - [ -0.0718353100000000, -0.0461710400000000, 0.1605571400000000 ] - [ 0.0021016200000000, -0.0001402600000000, -0.0005028300000000 ] - [ 0.0004014900000000, -0.0001096500000000, 0.0000823700000000 ] - [ 0.0005666900000000, -0.0000285600000000, -0.0001240900000000 ] - [ 0.0015179600000000, -0.0016334200000000, -0.0030278600000000 ] - [ -0.0025269700000000, 0.0008029400000000, -0.0000763500000000 ] - [ -0.0007447900000000, 0.0003054300000000, -0.0000184300000000 ] - [ -0.0010288400000000, -0.0000676000000000, 0.0000368700000000 ] - [ -0.0102994200000000, 0.0067105300000000, 0.0017578900000000 ] - [ -0.0017390600000000, -0.0012167000000000, -0.0018211900000000 ] - [ -0.0003248800000000, -0.0002223200000000, -0.0003455300000000 ] - [ -0.0003895900000000, -0.0000424900000000, -0.0002801700000000 ] - [ 0.0000621700000000, -0.0064606800000000, -0.0032476400000000 ] - [ -0.0003085600000000, 0.0002756800000000, 0.0000897300000000 ] - [ 0.0004060500000000, 0.0000979100000000, -0.0000017500000000 ] - [ 0.0000544100000000, -0.0001781600000000, 0.0001641400000000 ] - [ -0.0000929600000000, 0.0007339500000000, 0.0000454600000000 ] - [ -0.0000494200000000, -0.0000042600000000, -0.0002403300000000 ] - [ -0.0000899100000000, -0.0009565100000000, 0.0005127800000000 ] - [ 0.0001408500000000, 0.0005667600000000, 0.0004665800000000 ] - [ -0.0027966700000000, 0.0059228700000000, -0.0020646800000000 ] - [ -0.0001998900000000, -0.0005806200000000, -0.0013233800000000 ] - [ 0.0000092700000000, -0.0002930800000000, -0.0002982700000000 ] - [ -0.0000666800000000, 0.0000532900000000, -0.0003371400000000 ] - [ -0.0001407900000000, -0.0063030100000000, 0.0002254600000000 ] - [ -0.0004389000000000, 0.0003786600000000, -0.0001549000000000 ] - [ -0.0001871200000000, 0.0009351700000000, -0.0003754300000000 ] - [ -0.0000258700000000, 0.0002703400000000, -0.0001078500000000 ] - [ -0.0034622400000000, -0.0018283700000000, 0.0063064300000000 ] - [ 0.0007118900000000, -0.0003084600000000, 0.0004770300000000 ] - [ -0.0000448000000000, -0.0001794000000000, 0.0000722300000000 ] - [ -0.0000717400000000, -0.0002162700000000, 0.0000532000000000 ] - [ 0.0003099300000000, -0.0002804200000000, -0.0004500000000000 ] - [ -0.0006199000000000, -0.0007728900000000, 0.0003924600000000 ] - [ 0.0003889200000000, 0.0002951400000000, -0.0007110700000000 ] - [ -0.0002925700000000, -0.0001335000000000, -0.0000254700000000 ] - [ -0.0016335400000000, 0.0001276000000000, 0.0008967500000000 ] - [ 0.0055492700000000, -0.0017196000000000, 0.0018005300000000 ] - [ -0.0000978200000000, 0.0004090200000000, -0.0000638300000000 ] - [ 0.0000576700000000, 0.0004119300000000, -0.0001269800000000 ] - [ -0.0008778000000000, -0.0004559200000000, 0.0007510000000000 ] - [ 0.0054252000000000, 0.0064553300000000, 0.0044532400000000 ] - [ -0.0001168900000000, -0.0002849500000000, 0.0004444300000000 ] - [ 0.0001262200000000, -0.0004721300000000, 0.0003107200000000 ] - [ 0.0016876400000000, -0.0008936000000000, -0.0023095900000000 ] - [ -0.0049258700000000, 0.0001206000000000, 0.0035084400000000 ] - [ 0.0000813700000000, 0.0003814700000000, 0.0003075900000000 ] - [ -0.0000394900000000, 0.0003297300000000, 0.0003958200000000 ] - [ 0.0001151200000000, -0.0000248400000000, 0.0004928500000000 ] - [ 0.0003333100000000, 0.0002100700000000, 0.0001889400000000 ] - [ -0.0008105700000000, 0.0006054500000000, 0.0013637700000000 ] - [ 0.0010459100000000, -0.0000600500000000, 0.0007137200000000 ] - [ -0.0002296800000000, -0.0038627200000000, 0.0116856400000000 ] - [ -0.0001318800000000, 0.0002539900000000, 0.0010409300000000 ] - [ -0.0004081000000000, 0.0002651100000000, -0.0001828800000000 ] - [ -0.0003123900000000, 0.0001261800000000, -0.0002392500000000 ] - [ 0.2124279500000000, 0.0288635400000000, -0.2758371200000000 ] - [ -0.0028238900000000, 0.0004511400000000, 0.0005702400000000 ] - [ 0.0002619600000000, 0.0005527100000000, -0.0002592200000000 ] - [ 0.0000937400000000, 0.0003870300000000, 0.0000192300000000 ] - [ -0.0007780700000000, 0.0011124700000000, 0.0004218700000000 ] - [ 0.0012948300000000, -0.0003602300000000, -0.0013804100000000 ] - [ -0.0018747000000000, -0.0022455800000000, -0.0003196100000000 ] - [ 0.0020750700000000, -0.0004588200000000, -0.0008634100000000 ] - [ 0.0018066400000000, 0.0121054600000000, 0.0139736200000000 ] - [ -0.0020339900000000, -0.0006011400000000, 0.0024877900000000 ] - [ 0.0002604200000000, -0.0002139200000000, 0.0001820700000000 ] - [ -0.0002096200000000, 0.0000483800000000, 0.0002290400000000 ] - [ -0.0034177000000000, 0.0009770900000000, 0.0037342100000000 ] - [ 0.0021424800000000, 0.0003579500000000, -0.0000892100000000 ] - [ 0.0000052900000000, -0.0005395000000000, 0.0008753300000000 ] - [ 0.0004227300000000, -0.0002460600000000, 0.0003110500000000 ]- atom: 105 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ -0.0017516100000000, -0.0008952100000000, 0.0032650100000000 ] - [ 0.0009713500000000, 0.0000264700000000, -0.0001151300000000 ] - [ 0.0001263500000000, 0.0003560500000000, 0.0003793300000000 ] - [ 0.0007230100000000, 0.0002301600000000, 0.0000210200000000 ] - [ 0.0149345900000000, 0.0046061100000000, -0.0267434000000000 ] - [ -0.0020422100000000, -0.0000597400000000, 0.0001761800000000 ] - [ 0.0000884900000000, 0.0001706100000000, -0.0003795200000000 ] - [ -0.0000738100000000, -0.0000783400000000, -0.0001092300000000 ] - [ -0.0003524800000000, 0.0008931800000000, 0.0007380400000000 ] - [ 0.0015539100000000, 0.0002981800000000, -0.0008567100000000 ] - [ 0.0002860900000000, -0.0008843700000000, 0.0004169900000000 ] - [ 0.0009436200000000, -0.0001202000000000, -0.0000418400000000 ] - [ 0.0017603800000000, -0.0284740700000000, -0.0402228100000000 ] - [ -0.0005710800000000, 0.0000409400000000, 0.0002213400000000 ] - [ 0.0005210500000000, -0.0000980700000000, -0.0003833500000000 ] - [ 0.0004030700000000, -0.0000411200000000, -0.0002833900000000 ] - [ -0.0027314300000000, -0.0029864900000000, 0.0008144200000000 ] - [ 0.0015436400000000, -0.0004207500000000, -0.0002357100000000 ] - [ -0.0001912400000000, 0.0004237600000000, 0.0003843600000000 ] - [ 0.0000615600000000, -0.0000875400000000, -0.0000494400000000 ] - [ 0.0004220000000000, -0.0005225100000000, 0.0004718200000000 ] - [ -0.0003365700000000, 0.0000487100000000, 0.0002893600000000 ] - [ -0.0009709400000000, 0.0058241700000000, 0.0008619000000000 ] - [ -0.0003798700000000, -0.0002976000000000, 0.0006882300000000 ] - [ 0.0000615100000000, -0.0004497300000000, 0.0002312000000000 ] - [ 0.0016488300000000, 0.0002188500000000, -0.0004822900000000 ] - [ -0.0006461800000000, -0.0008146500000000, 0.0003289800000000 ] - [ 0.0025786600000000, -0.0024275500000000, -0.0001911700000000 ] - [ 0.0067594800000000, 0.0038289100000000, 0.0023570100000000 ] - [ -0.0017162500000000, 0.0009595800000000, 0.0018196600000000 ] - [ 0.0009010100000000, 0.0006935200000000, 0.0000856300000000 ] - [ 0.0004857900000000, 0.0005605300000000, 0.0003035500000000 ] - [ -0.0009422700000000, 0.0015272700000000, -0.0002922900000000 ] - [ -0.0006224500000000, -0.0011218800000000, -0.0009172300000000 ] - [ -0.0012549800000000, -0.0006406400000000, -0.0008486400000000 ] - [ -0.0004680500000000, 0.0008080100000000, -0.0012288500000000 ] - [ -0.0008940200000000, 0.0011007000000000, 0.0036532400000000 ] - [ -0.0006985400000000, -0.0016033900000000, 0.0031791000000000 ] - [ -0.0005783100000000, -0.0003066800000000, 0.0000662500000000 ] - [ -0.0005790600000000, -0.0001491700000000, 0.0000568000000000 ] - [ -0.0029017200000000, 0.0008281200000000, 0.0026565800000000 ] - [ 0.0028450800000000, 0.0010142700000000, 0.0002637400000000 ] - [ -0.0000693300000000, 0.0000726200000000, 0.0000899100000000 ] - [ 0.0001706900000000, 0.0002320200000000, -0.0000074500000000 ] - [ 0.1100362200000000, 0.0098932400000000, -0.0264890800000000 ] - [ -0.0037658100000000, -0.0004468300000000, -0.0008490800000000 ] - [ -0.0008205600000000, 0.0000033400000000, 0.0001170600000000 ] - [ -0.0009031000000000, -0.0001114300000000, 0.0001599800000000 ] - [ 0.0762884700000000, 0.0498366800000000, -0.1705552700000000 ] - [ -0.0011285400000000, 0.0001458400000000, 0.0002754400000000 ] - [ 0.0005770600000000, 0.0001213400000000, -0.0003104600000000 ] - [ 0.0004127900000000, 0.0000397700000000, -0.0001052100000000 ] - [ -0.0032175400000000, 0.0019175900000000, 0.0034469000000000 ] - [ 0.0008163100000000, -0.0005174700000000, 0.0004835100000000 ] - [ -0.0009534900000000, -0.0000193000000000, 0.0004292700000000 ] - [ -0.0006783100000000, 0.0003569600000000, 0.0003742500000000 ] - [ 0.0096925600000000, -0.0069751900000000, -0.0022999500000000 ] - [ 0.0010053500000000, 0.0010148800000000, 0.0013006600000000 ] - [ -0.0003998900000000, 0.0000213100000000, -0.0001674100000000 ] - [ -0.0003347700000000, -0.0001584900000000, -0.0002334700000000 ] - [ 0.0003898300000000, 0.0062862700000000, 0.0036254400000000 ] - [ 0.0007708500000000, -0.0004658600000000, 0.0002744600000000 ] - [ 0.0000535400000000, -0.0002892600000000, 0.0003679000000000 ] - [ 0.0004075700000000, -0.0000131700000000, 0.0002010500000000 ] - [ 0.0000797300000000, -0.0005662300000000, -0.0005548200000000 ] - [ 0.0000401100000000, 0.0001748900000000, -0.0002688000000000 ] - [ 0.0000782600000000, 0.0011260400000000, -0.0010204900000000 ] - [ -0.0001513300000000, -0.0003964800000000, -0.0009787100000000 ] - [ 0.0027864100000000, -0.0060626800000000, 0.0015334600000000 ] - [ 0.0001849800000000, 0.0004104000000000, 0.0008175700000000 ] - [ -0.0000198700000000, 0.0001195000000000, -0.0002113700000000 ] - [ 0.0000560900000000, -0.0002275700000000, -0.0001709100000000 ] - [ 0.0000166800000000, 0.0067974300000000, -0.0001743200000000 ] - [ 0.0003133800000000, 0.0001449200000000, 0.0002360300000000 ] - [ 0.0000621200000000, -0.0004140200000000, 0.0004547200000000 ] - [ -0.0001015500000000, 0.0002524100000000, 0.0001862800000000 ] - [ 0.0033451300000000, 0.0013243900000000, -0.0062637900000000 ] - [ -0.0008355900000000, -0.0002118100000000, -0.0003989100000000 ] - [ -0.0000817300000000, -0.0003476700000000, 0.0000059100000000 ] - [ -0.0000544800000000, -0.0003103500000000, 0.0000253200000000 ] - [ -0.0003333000000000, -0.0003867500000000, 0.0002313600000000 ] - [ 0.0005882700000000, 0.0001146800000000, -0.0006215300000000 ] - [ -0.0004202900000000, -0.0009564400000000, 0.0004870100000000 ] - [ 0.0002635400000000, -0.0005227800000000, -0.0001997900000000 ] - [ 0.0016054600000000, 0.0005351200000000, -0.0011215400000000 ] - [ -0.0055916100000000, 0.0023879800000000, -0.0020314700000000 ] - [ 0.0000684300000000, 0.0002439200000000, -0.0001616500000000 ] - [ -0.0000876900000000, 0.0002422100000000, -0.0000980200000000 ] - [ 0.0009302000000000, -0.0001093900000000, -0.0000490500000000 ] - [ -0.0054206100000000, -0.0070654500000000, -0.0037820100000000 ] - [ 0.0001635000000000, -0.0002813500000000, 0.0002537900000000 ] - [ -0.0000803400000000, -0.0000945300000000, 0.0003883400000000 ] - [ -0.0016604900000000, 0.0014714800000000, 0.0030039100000000 ] - [ 0.0049293300000000, 0.0004471300000000, -0.0028066600000000 ] - [ -0.0000352700000000, 0.0001810900000000, 0.0003914900000000 ] - [ 0.0000858300000000, 0.0002330400000000, 0.0003032400000000 ] - [ 0.0003472300000000, 0.0002098200000000, -0.0001288500000000 ] - [ 0.0001270900000000, -0.0000212700000000, 0.0001757200000000 ] - [ 0.0012745400000000, -0.0004142500000000, -0.0009992000000000 ] - [ -0.0005869000000000, 0.0002484000000000, -0.0003488000000000 ] - [ -0.0004748800000000, 0.0040281700000000, -0.0120232800000000 ] - [ -0.0005963100000000, -0.0000513100000000, -0.0015542200000000 ] - [ -0.0003167300000000, -0.0000688000000000, -0.0003305900000000 ] - [ -0.0004126500000000, 0.0000710800000000, -0.0002735900000000 ] - [ -0.2122926600000000, -0.0331998000000000, 0.2862422100000000 ] - [ 0.0032210400000000, 0.0001787300000000, -0.0005870000000000 ] - [ 0.0001241400000000, 0.0000613500000000, 0.0002456000000000 ] - [ 0.0002924800000000, 0.0002297400000000, -0.0000347300000000 ] - [ 0.0007103300000000, -0.0010897600000000, -0.0002448900000000 ] - [ -0.0013694100000000, 0.0003931500000000, 0.0015602100000000 ] - [ 0.0018078800000000, 0.0022821500000000, 0.0004996200000000 ] - [ -0.0021489200000000, 0.0004996200000000, 0.0010317900000000 ] - [ -0.0018529100000000, -0.0121447500000000, -0.0138270800000000 ] - [ 0.0019581700000000, 0.0005682100000000, -0.0023106900000000 ] - [ -0.0003305100000000, 0.0001715100000000, -0.0000098200000000 ] - [ 0.0001380900000000, -0.0000905200000000, -0.0000564400000000 ] - [ 0.0037974200000000, -0.0015969000000000, -0.0037456400000000 ] - [ -0.0017457200000000, -0.0009794600000000, 0.0000697200000000 ] - [ 0.0003794300000000, -0.0000845500000000, -0.0008957500000000 ] - [ -0.0000398600000000, -0.0003769800000000, -0.0003361000000000 ]- atom: 109 displacement: [ 0.0099999936525226, 0.0000000000000000, 0.0000112671872568 ] forces: - [ 0.0008283600000000, 0.0005748100000000, -0.0038017200000000 ] - [ 0.0001210100000000, 0.0001159800000000, 0.0008002900000000 ] - [ 0.0005605400000000, -0.0000114300000000, -0.0002639800000000 ] - [ 0.0004619400000000, 0.0000757300000000, -0.0000620200000000 ] - [ -0.0007793700000000, 0.0007561200000000, 0.0006045400000000 ] - [ 0.0000310200000000, -0.0012637300000000, -0.0013565800000000 ] - [ 0.0000588700000000, -0.0004539900000000, 0.0003998400000000 ] - [ -0.0000811000000000, 0.0004734500000000, -0.0007083900000000 ] - [ 0.0217173400000000, -0.0145332500000000, 0.0128709700000000 ] - [ -0.0015709600000000, -0.0002639900000000, -0.0004598300000000 ] - [ 0.0005899400000000, 0.0000504400000000, -0.0002812400000000 ] - [ 0.0003204900000000, 0.0002521100000000, -0.0004075900000000 ] - [ 0.0005110600000000, 0.0004207400000000, 0.0001084600000000 ] - [ 0.0004067900000000, -0.0006688800000000, -0.0009128400000000 ] - [ 0.0002883300000000, 0.0000065400000000, 0.0016398700000000 ] - [ 0.0004063200000000, 0.0002876900000000, -0.0020541800000000 ] - [ 0.0000256100000000, 0.0002291600000000, 0.0003083000000000 ] - [ -0.0002975200000000, -0.0000903300000000, 0.0002013000000000 ] - [ 0.0714976500000000, 0.0649634800000000, 0.0292226400000000 ] - [ -0.0040809300000000, -0.0000925400000000, 0.0001473700000000 ] - [ -0.0002655600000000, -0.0005194000000000, 0.0021504600000000 ] - [ -0.0006243600000000, 0.0005130600000000, -0.0028891300000000 ] - [ -0.0001302000000000, 0.0001068800000000, 0.0002959000000000 ] - [ -0.0001843100000000, 0.0000082900000000, 0.0001008900000000 ] - [ 0.1991024000000000, -0.0168298400000000, -0.0035046700000000 ] - [ -0.0044572500000000, -0.0004646600000000, 0.0002570300000000 ] - [ 0.0008716300000000, -0.0005383100000000, 0.0002107300000000 ] - [ 0.0004205200000000, -0.0005997400000000, 0.0001276500000000 ] - [ 0.0008006100000000, 0.0006469600000000, 0.0002551100000000 ] - [ 0.0004494600000000, 0.0006982600000000, 0.0000118600000000 ] - [ 0.0004792300000000, 0.0002095000000000, 0.0019539200000000 ] - [ -0.0000480000000000, 0.0005939500000000, -0.0017633000000000 ] - [ 0.0515809700000000, -0.0171993600000000, -0.0542363200000000 ] - [ -0.0034831900000000, -0.0002289800000000, -0.0002829400000000 ] - [ -0.0004480200000000, 0.0002757300000000, 0.0000391100000000 ] - [ -0.0007272800000000, 0.0003373700000000, -0.0001132200000000 ] - [ -0.0003890200000000, -0.0002580500000000, 0.0001390400000000 ] - [ -0.0007516500000000, -0.0001843000000000, -0.0003301200000000 ] - [ -0.0007624500000000, 0.0011704000000000, 0.0035647900000000 ] - [ -0.0015388000000000, -0.0003410500000000, -0.0020976300000000 ] - [ 0.0020713100000000, 0.0041169800000000, -0.0000580800000000 ] - [ -0.0009786500000000, -0.0003172800000000, -0.0002341500000000 ] - [ 0.0011546900000000, -0.0000559400000000, -0.0000171200000000 ] - [ -0.0003765100000000, 0.0003502700000000, -0.0000833300000000 ] - [ -0.0015582100000000, -0.0000675000000000, 0.0000303600000000 ] - [ 0.0004915100000000, -0.0002847500000000, 0.0000719400000000 ] - [ -0.0016117900000000, -0.0002057700000000, 0.0004626600000000 ] - [ 0.0002167100000000, 0.0001760100000000, -0.0000398100000000 ] - [ -0.0001195000000000, 0.0006036000000000, 0.0000273500000000 ] - [ 0.0005037800000000, -0.0010991200000000, -0.0008267600000000 ] - [ -0.0008241400000000, -0.0015946400000000, 0.0008277300000000 ] - [ 0.0005670900000000, 0.0025780300000000, -0.0008363900000000 ] - [ -0.0008234400000000, 0.0011004800000000, -0.0006137900000000 ] - [ -0.0027572400000000, -0.0014443300000000, 0.0018093100000000 ] - [ -0.0007360500000000, -0.0003013800000000, -0.0000383900000000 ] - [ -0.0009704000000000, 0.0004371900000000, 0.0003700500000000 ] - [ -0.0011136600000000, -0.0043474300000000, -0.0013456300000000 ] - [ 0.0006331300000000, 0.0006336100000000, 0.0000804400000000 ] - [ -0.0006728600000000, 0.0004232100000000, -0.0004529700000000 ] - [ -0.0000156700000000, -0.0003712100000000, -0.0002146100000000 ] - [ 0.0002238500000000, -0.0002357800000000, 0.0001532200000000 ] - [ 0.0002489700000000, 0.0000213100000000, 0.0002051300000000 ] - [ 0.0089621400000000, 0.0048157400000000, -0.0055507500000000 ] - [ 0.0053186900000000, -0.0029611800000000, 0.0033770300000000 ] - [ 0.0078888300000000, 0.0001938000000000, 0.0061634400000000 ] - [ 0.0053549900000000, 0.0003410000000000, -0.0047519000000000 ] - [ 0.0000436200000000, 0.0000726600000000, -0.0002155500000000 ] - [ -0.0000485100000000, 0.0000415900000000, -0.0003052000000000 ] - [ 0.0001043700000000, -0.0001683400000000, -0.0002195600000000 ] - [ -0.0001341500000000, -0.0000597500000000, -0.0002786800000000 ] - [ 0.0009334900000000, -0.0001399700000000, -0.0001266200000000 ] - [ -0.0046262700000000, -0.0016291800000000, 0.0025047600000000 ] - [ 0.0004175600000000, 0.0003801100000000, 0.0000808700000000 ] - [ -0.0017822100000000, 0.0025881400000000, 0.0047754800000000 ] - [ 0.0000100300000000, 0.0002846500000000, 0.0000347300000000 ] - [ -0.0001601900000000, 0.0001306400000000, 0.0000539300000000 ] - [ 0.0001399200000000, -0.0007805300000000, 0.0001692500000000 ] - [ 0.0000259400000000, 0.0001818900000000, -0.0000923800000000 ] - [ 0.0011123700000000, 0.0025354200000000, 0.0014559100000000 ] - [ 0.0007315300000000, -0.0014527500000000, -0.0005667900000000 ] - [ 0.0009395500000000, -0.0007847700000000, -0.0030787800000000 ] - [ 0.0007743200000000, 0.0000966900000000, 0.0014588500000000 ] - [ -0.0000844800000000, -0.0003408100000000, -0.0001959000000000 ] - [ 0.0000696500000000, -0.0004043100000000, -0.0000007100000000 ] - [ -0.0005088100000000, 0.0004440800000000, -0.0003359100000000 ] - [ 0.0002447100000000, 0.0003017100000000, -0.0000059500000000 ] - [ -0.0031861900000000, -0.0071620600000000, -0.0027042000000000 ] - [ 0.0011041300000000, 0.0004592900000000, 0.0000584700000000 ] - [ 0.0010952300000000, 0.0088991200000000, -0.0016488800000000 ] - [ 0.0015223900000000, -0.0009641700000000, 0.0004986600000000 ] - [ -0.0002131600000000, -0.0006291300000000, 0.0002332700000000 ] - [ 0.0002698500000000, -0.0000966500000000, 0.0004085500000000 ] - [ -0.0001648200000000, 0.0001187800000000, -0.0001496800000000 ] - [ 0.0003500100000000, 0.0001194500000000, 0.0007841000000000 ] - [ -0.0001367000000000, 0.0002744600000000, 0.0000850000000000 ] - [ 0.0002150500000000, 0.0002693700000000, 0.0007026400000000 ] - [ -0.0044902600000000, -0.0002956400000000, -0.0019525600000000 ] - [ 0.0009873700000000, 0.0000905500000000, -0.0000593900000000 ] - [ 0.0002026000000000, 0.0000282600000000, 0.0001973200000000 ] - [ 0.0002519600000000, 0.0000742300000000, 0.0001792000000000 ] - [ -0.0009769900000000, 0.0002753700000000, -0.0007413200000000 ] - [ -0.0000274500000000, 0.0000221900000000, 0.0000464800000000 ] - [ -0.0005257300000000, -0.0001462300000000, -0.0004755200000000 ] - [ -0.0002133600000000, 0.0001470500000000, 0.0000351200000000 ] - [ 0.0010405300000000, -0.0005813800000000, -0.0003333600000000 ] - [ -0.0007444100000000, 0.0015268100000000, 0.0009632200000000 ] - [ 0.0010462100000000, 0.0009400600000000, -0.0016559200000000 ] - [ -0.0007483300000000, -0.0013047100000000, 0.0019026700000000 ] - [ -0.3621210400000000, -0.0173294300000000, 0.0151837600000000 ] - [ 0.0055344300000000, 0.0004954200000000, 0.0002291700000000 ] - [ -0.0003384400000000, -0.0000804100000000, -0.0000316500000000 ] - [ 0.0002276500000000, -0.0000412200000000, 0.0001530200000000 ] - [ -0.0002261700000000, -0.0002761300000000, -0.0002595900000000 ] - [ 0.0002268000000000, 0.0001598300000000, 0.0005496800000000 ] - [ 0.0004054400000000, 0.0005066200000000, -0.0039650700000000 ] - [ 0.0013334900000000, -0.0006795000000000, 0.0033582400000000 ] - [ 0.0051686600000000, -0.0067404100000000, 0.0055903200000000 ] - [ 0.0025856600000000, 0.0004117600000000, -0.0007985500000000 ] - [ -0.0000553900000000, 0.0000297200000000, 0.0001815500000000 ] - [ 0.0004108700000000, -0.0005481700000000, -0.0000758200000000 ]- atom: 109 displacement: [ -0.0099999936525226, 0.0000000000000000, -0.0000112671872568 ] forces: - [ 0.0001562800000000, -0.0005752900000000, 0.0035169800000000 ] - [ 0.0008656100000000, -0.0001369400000000, -0.0010582000000000 ] - [ 0.0004191200000000, 0.0000012000000000, 0.0000217700000000 ] - [ 0.0005212000000000, -0.0000911300000000, -0.0001905700000000 ] - [ 0.0008358900000000, -0.0010549200000000, -0.0008071400000000 ] - [ 0.0000332700000000, 0.0009546700000000, 0.0011607000000000 ] - [ 0.0000030400000000, 0.0001558400000000, -0.0005954100000000 ] - [ 0.0001378000000000, -0.0007650900000000, 0.0005080300000000 ] - [ -0.0205776000000000, 0.0146599900000000, -0.0134714300000000 ] - [ 0.0024938400000000, 0.0004571100000000, -0.0001774400000000 ] - [ 0.0003194300000000, 0.0001759800000000, -0.0003851400000000 ] - [ 0.0005914600000000, -0.0000337400000000, -0.0002510200000000 ] - [ 0.0003951700000000, -0.0006589900000000, -0.0007856000000000 ] - [ 0.0005010500000000, 0.0004421000000000, 0.0002443800000000 ] - [ 0.0006197100000000, -0.0002323300000000, -0.0023170000000000 ] - [ 0.0004977400000000, -0.0005307100000000, 0.0013739100000000 ] - [ -0.0003025600000000, -0.0002274700000000, 0.0001491700000000 ] - [ 0.0000177800000000, 0.0000851300000000, 0.0002517400000000 ] - [ -0.0722403500000000, -0.0671354400000000, -0.0297330400000000 ] - [ 0.0038219600000000, 0.0001035500000000, 0.0003122700000000 ] - [ -0.0000119100000000, 0.0005243400000000, -0.0017066400000000 ] - [ 0.0003325900000000, -0.0004900600000000, 0.0033347400000000 ] - [ -0.0001537300000000, -0.0000961400000000, 0.0001566700000000 ] - [ -0.0001004300000000, 0.0000049200000000, 0.0003531400000000 ] - [ -0.1857340600000000, 0.0141565700000000, 0.0035871600000000 ] - [ 0.0057474100000000, -0.0007678900000000, 0.0000543100000000 ] - [ 0.0003973300000000, -0.0006882400000000, 0.0001005800000000 ] - [ 0.0008527800000000, -0.0006285300000000, 0.0001833100000000 ] - [ 0.0004827500000000, 0.0005833900000000, 0.0000562200000000 ] - [ 0.0008333100000000, 0.0005342400000000, 0.0002994800000000 ] - [ 0.0007981200000000, 0.0010190400000000, -0.0016432600000000 ] - [ 0.0013355500000000, 0.0006362900000000, 0.0020746700000000 ] - [ -0.0523914300000000, 0.0179729800000000, 0.0548652400000000 ] - [ 0.0023302900000000, 0.0007462200000000, 0.0001302700000000 ] - [ -0.0007186300000000, 0.0002509900000000, -0.0001733300000000 ] - [ -0.0004403000000000, 0.0001908100000000, -0.0000150600000000 ] - [ -0.0007800600000000, -0.0002687600000000, -0.0002665600000000 ] - [ -0.0004224700000000, -0.0003426700000000, 0.0002061800000000 ] - [ -0.0004090200000000, -0.0016957200000000, -0.0036851000000000 ] - [ 0.0003618700000000, -0.0001855800000000, 0.0019911200000000 ] - [ -0.0019943900000000, -0.0037750600000000, -0.0001450700000000 ] - [ 0.0010475700000000, 0.0006298700000000, 0.0000440400000000 ] - [ -0.0010913000000000, 0.0003571700000000, -0.0001800500000000 ] - [ 0.0004430400000000, -0.0000401200000000, -0.0001089700000000 ] - [ -0.0001351200000000, -0.0002213400000000, 0.0003782100000000 ] - [ -0.0021968100000000, -0.0000008800000000, 0.0003420600000000 ] - [ -0.0000937200000000, -0.0000806200000000, -0.0000515800000000 ] - [ -0.0019095600000000, -0.0004656100000000, 0.0004519100000000 ] - [ 0.0010915300000000, -0.0005965500000000, -0.0002561100000000 ] - [ 0.0004795100000000, 0.0011111000000000, 0.0005777700000000 ] - [ 0.0018035300000000, 0.0016192900000000, -0.0010709000000000 ] - [ 0.0004090300000000, -0.0025659500000000, 0.0006007000000000 ] - [ -0.0009279500000000, -0.0008052300000000, 0.0010201300000000 ] - [ 0.0010305900000000, 0.0017316600000000, -0.0013938800000000 ] - [ -0.0009675000000000, 0.0005902500000000, 0.0004495000000000 ] - [ -0.0007467500000000, -0.0001461300000000, 0.0000417500000000 ] - [ 0.0004117100000000, 0.0041544200000000, 0.0008268500000000 ] - [ -0.0013567700000000, -0.0008328800000000, -0.0005901300000000 ] - [ -0.0000491300000000, -0.0006231700000000, -0.0000591100000000 ] - [ -0.0007086700000000, 0.0001704700000000, -0.0002963700000000 ] - [ 0.0002365700000000, 0.0000444000000000, 0.0002117800000000 ] - [ 0.0002105800000000, -0.0002120000000000, 0.0001602500000000 ] - [ -0.0086028200000000, -0.0050924900000000, 0.0059995600000000 ] - [ -0.0048233300000000, 0.0027608200000000, -0.0030036200000000 ] - [ -0.0079786000000000, -0.0000217400000000, -0.0067709100000000 ] - [ -0.0053285600000000, -0.0001725400000000, 0.0042277400000000 ] - [ -0.0000528600000000, 0.0000950500000000, -0.0002936100000000 ] - [ 0.0000384600000000, 0.0001266000000000, -0.0002040700000000 ] - [ -0.0001149300000000, -0.0000018200000000, -0.0002892700000000 ] - [ 0.0001248600000000, -0.0001101600000000, -0.0002311700000000 ] - [ -0.0009475900000000, -0.0000291500000000, -0.0003801800000000 ] - [ 0.0045986100000000, 0.0014605200000000, -0.0030230800000000 ] - [ -0.0005500000000000, 0.0001485400000000, 0.0000038100000000 ] - [ 0.0016497500000000, -0.0020470300000000, -0.0046738200000000 ] - [ -0.0001392300000000, 0.0002377900000000, 0.0000435100000000 ] - [ 0.0000319800000000, 0.0003923100000000, 0.0000241600000000 ] - [ -0.0002658000000000, 0.0002528200000000, -0.0000913400000000 ] - [ -0.0001546600000000, -0.0007057300000000, 0.0001703600000000 ] - [ -0.0012463100000000, -0.0030820100000000, -0.0013889500000000 ] - [ -0.0008610800000000, 0.0009286700000000, 0.0006454300000000 ] - [ -0.0009709600000000, 0.0001370600000000, 0.0028764700000000 ] - [ -0.0007990500000000, -0.0007493100000000, -0.0016796500000000 ] - [ 0.0000569600000000, -0.0003160500000000, -0.0000274500000000 ] - [ -0.0000983800000000, -0.0002525400000000, -0.0002225200000000 ] - [ 0.0004778600000000, 0.0002092500000000, 0.0001114200000000 ] - [ -0.0002719200000000, 0.0003532300000000, -0.0002179000000000 ] - [ 0.0031396700000000, 0.0077946200000000, 0.0024756000000000 ] - [ -0.0011347300000000, 0.0001917000000000, -0.0002839000000000 ] - [ -0.0010444300000000, -0.0093965100000000, 0.0023384400000000 ] - [ -0.0014810300000000, 0.0004120500000000, 0.0001994900000000 ] - [ 0.0002567300000000, 0.0000658600000000, 0.0004678300000000 ] - [ -0.0002258200000000, -0.0004668200000000, 0.0002914800000000 ] - [ 0.0002092000000000, 0.0004427200000000, 0.0008485500000000 ] - [ -0.0003032600000000, 0.0004401900000000, -0.0000805400000000 ] - [ 0.0001826700000000, 0.0002865500000000, 0.0006153700000000 ] - [ -0.0001717000000000, 0.0002919400000000, -0.0000010700000000 ] - [ 0.0049316400000000, 0.0004980100000000, 0.0023360600000000 ] - [ -0.0005308000000000, 0.0001004400000000, 0.0004223500000000 ] - [ 0.0002568900000000, 0.0001601000000000, 0.0001684100000000 ] - [ 0.0002086700000000, 0.0001151400000000, 0.0001861900000000 ] - [ 0.0002478500000000, -0.0000775900000000, 0.0002316000000000 ] - [ -0.0006947500000000, 0.0001778000000000, -0.0005574000000000 ] - [ -0.0001987100000000, 0.0003443600000000, -0.0000350400000000 ] - [ -0.0005097400000000, 0.0000515500000000, -0.0005468500000000 ] - [ -0.0006657700000000, 0.0011921300000000, 0.0003042600000000 ] - [ 0.0011262000000000, -0.0009102400000000, -0.0009828500000000 ] - [ -0.0006625200000000, -0.0003373700000000, 0.0016379000000000 ] - [ 0.0011207800000000, 0.0019118200000000, -0.0019306300000000 ] - [ 0.3500136700000000, 0.0208233300000000, -0.0145818000000000 ] - [ -0.0056429900000000, -0.0004576700000000, -0.0000509500000000 ] - [ 0.0002715800000000, 0.0001025900000000, 0.0002167300000000 ] - [ -0.0003063900000000, 0.0000720000000000, 0.0000238500000000 ] - [ 0.0001538200000000, 0.0002444800000000, 0.0004397100000000 ] - [ -0.0002875200000000, -0.0001877500000000, -0.0003628500000000 ] - [ -0.0004654100000000, -0.0005269900000000, 0.0041539900000000 ] - [ -0.0013978600000000, 0.0006477600000000, -0.0031841200000000 ] - [ -0.0047619600000000, 0.0061028700000000, -0.0055960300000000 ] - [ -0.0022104200000000, -0.0010147600000000, 0.0007645800000000 ] - [ 0.0004338300000000, -0.0006425400000000, -0.0002049000000000 ] - [ -0.0000355400000000, -0.0000666700000000, 0.0000487700000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008021700000000, -0.0008195800000000, 0.0101345300000000 ] - [ 0.0004529700000000, 0.0009926100000000, -0.0007120700000000 ] - [ 0.0005966100000000, -0.0015585600000000, -0.0009184700000000 ] - [ 0.0004961400000000, -0.0009689100000000, -0.0001174900000000 ] - [ 0.0009213700000000, -0.0003735000000000, -0.0009021600000000 ] - [ -0.0003604900000000, 0.0002283300000000, 0.0002045900000000 ] - [ 0.0000898000000000, -0.0013908400000000, 0.0006201400000000 ] - [ 0.0005518800000000, -0.0014257700000000, 0.0003807900000000 ] - [ -0.0142043500000000, 0.0663132300000000, -0.0451521200000000 ] - [ 0.0000963200000000, 0.0026883000000000, -0.0017309300000000 ] - [ 0.0008447100000000, -0.0027432300000000, 0.0010157700000000 ] - [ 0.0006961900000000, -0.0014891600000000, 0.0004048000000000 ] - [ 0.0001692100000000, -0.0017504600000000, -0.0011084300000000 ] - [ 0.0000781400000000, -0.0017137200000000, -0.0010937800000000 ] - [ 0.0003065700000000, 0.0002082100000000, 0.0004531100000000 ] - [ 0.0007586200000000, 0.0003085300000000, 0.0001399200000000 ] - [ -0.0004998400000000, -0.0022620700000000, -0.0001570700000000 ] - [ -0.0003882900000000, -0.0012881800000000, 0.0000381600000000 ] - [ 0.0624591600000000, 0.1304844400000000, 0.0463973000000000 ] - [ 0.0003496900000000, 0.0014343500000000, 0.0004557600000000 ] - [ -0.0003151900000000, 0.0026527100000000, -0.0001344400000000 ] - [ -0.0004063900000000, 0.0027423300000000, -0.0000215300000000 ] - [ 0.0001259200000000, -0.0015264800000000, 0.0005070800000000 ] - [ 0.0001724900000000, -0.0015783000000000, 0.0005170900000000 ] - [ -0.0133538800000000, 0.0319088400000000, 0.0012815900000000 ] - [ -0.0006228600000000, 0.0016621000000000, 0.0001584300000000 ] - [ 0.0008055000000000, -0.0020360100000000, 0.0001824800000000 ] - [ 0.0007920300000000, -0.0017034200000000, 0.0002021300000000 ] - [ 0.0003802800000000, -0.0003660800000000, 0.0001365100000000 ] - [ 0.0006222100000000, -0.0007321100000000, 0.0002720500000000 ] - [ 0.0010141100000000, 0.0022667500000000, -0.0000313900000000 ] - [ 0.0002839800000000, 0.0019970600000000, -0.0015233000000000 ] - [ -0.0190197000000000, 0.0463615400000000, 0.0481892400000000 ] - [ -0.0004517700000000, 0.0019264600000000, 0.0007011500000000 ] - [ -0.0005509200000000, -0.0011612500000000, -0.0001486300000000 ] - [ -0.0005697800000000, -0.0008165500000000, -0.0001798500000000 ] - [ -0.0010212400000000, -0.0015797700000000, 0.0002247600000000 ] - [ -0.0002614300000000, -0.0015468400000000, 0.0001977200000000 ] - [ 0.0010244500000000, 0.0006278300000000, -0.0024027800000000 ] - [ -0.0019415700000000, 0.0006296900000000, -0.0015472700000000 ] - [ -0.0012747300000000, -0.0072196200000000, 0.0016033900000000 ] - [ 0.0004288300000000, 0.0004888400000000, -0.0002200600000000 ] - [ -0.0002996700000000, -0.0037192700000000, -0.0014205600000000 ] - [ -0.0002497900000000, -0.0006787700000000, -0.0002640300000000 ] - [ -0.0005995900000000, -0.0004808600000000, 0.0005688400000000 ] - [ -0.0022284600000000, -0.0015425800000000, -0.0011106600000000 ] - [ -0.0015455400000000, -0.0006155100000000, 0.0005711800000000 ] - [ 0.0000123900000000, -0.0015849800000000, 0.0014018800000000 ] - [ 0.0016314700000000, -0.0012614900000000, -0.0006606800000000 ] - [ -0.0003373900000000, -0.0009390000000000, -0.0002979900000000 ] - [ -0.0016192200000000, -0.0018611500000000, 0.0015984400000000 ] - [ 0.0020828600000000, -0.0010376400000000, 0.0010226900000000 ] - [ 0.0069706000000000, -0.0034915200000000, 0.0036588000000000 ] - [ -0.0024163400000000, 0.0011428700000000, 0.0002228900000000 ] - [ -0.0011941300000000, -0.0017650600000000, -0.0001244800000000 ] - [ -0.0004376300000000, -0.0007262600000000, 0.0001821300000000 ] - [ -0.0041589300000000, 0.0080791300000000, 0.0042110000000000 ] - [ -0.0002339100000000, -0.0007165400000000, -0.0004920400000000 ] - [ -0.0002658700000000, 0.0016210300000000, -0.0006449300000000 ] - [ -0.0005363700000000, 0.0005205100000000, -0.0001302900000000 ] - [ 0.0002605500000000, 0.0008319300000000, 0.0001702400000000 ] - [ 0.0003562400000000, 0.0007164600000000, 0.0000863200000000 ] - [ 0.0059361700000000, -0.0021948300000000, -0.0044824400000000 ] - [ -0.0014133500000000, -0.0004932100000000, -0.0004869600000000 ] - [ -0.0001082600000000, -0.0070465700000000, 0.0006343100000000 ] - [ -0.0003057300000000, -0.0017108200000000, 0.0003145700000000 ] - [ 0.0000788100000000, 0.0011521100000000, -0.0002099600000000 ] - [ 0.0000675600000000, 0.0009260000000000, -0.0001848800000000 ] - [ -0.0000595800000000, 0.0007487200000000, -0.0003894600000000 ] - [ -0.0000865600000000, 0.0008381100000000, -0.0002123500000000 ] - [ 0.0002035800000000, -0.0008239700000000, -0.0001879400000000 ] - [ -0.0014208000000000, 0.0006479900000000, -0.0084068700000000 ] - [ 0.0001448500000000, -0.0012982300000000, -0.0008037000000000 ] - [ 0.0019233900000000, -0.0007073600000000, 0.0027127600000000 ] - [ -0.0000646900000000, 0.0011888900000000, 0.0000839400000000 ] - [ -0.0000570500000000, 0.0013034300000000, -0.0000601300000000 ] - [ -0.0006918900000000, 0.0016839800000000, 0.0000992400000000 ] - [ 0.0002696200000000, 0.0002709000000000, 0.0000115300000000 ] - [ 0.0029800700000000, 0.0045348300000000, 0.0024803600000000 ] - [ -0.0008421300000000, -0.0002520200000000, 0.0002005800000000 ] - [ -0.0006579300000000, -0.0014351600000000, 0.0011751700000000 ] - [ -0.0006769500000000, -0.0023804500000000, -0.0011189200000000 ] - [ 0.0000047800000000, 0.0006181600000000, -0.0001766400000000 ] - [ 0.0000352700000000, 0.0006901600000000, -0.0000467700000000 ] - [ 0.0004974500000000, 0.0020333400000000, 0.0001316400000000 ] - [ -0.0003769500000000, 0.0010450700000000, -0.0001260900000000 ] - [ -0.0074741000000000, 0.0106750500000000, 0.0031330900000000 ] - [ 0.0010900000000000, 0.0001870000000000, -0.0000436700000000 ] - [ 0.0087634600000000, 0.0044950200000000, -0.0001960000000000 ] - [ -0.0018312700000000, -0.0010257900000000, 0.0006187000000000 ] - [ -0.0002700000000000, 0.0009937600000000, 0.0003441200000000 ] - [ 0.0004108300000000, 0.0006016700000000, 0.0003658100000000 ] - [ 0.0000178700000000, 0.0006468200000000, 0.0008616800000000 ] - [ -0.0003176400000000, 0.0012017000000000, -0.0006243800000000 ] - [ 0.0000743300000000, 0.0007074900000000, -0.0001309500000000 ] - [ 0.0000001500000000, 0.0006513100000000, 0.0007242000000000 ] - [ -0.0004058300000000, -0.0062384800000000, 0.0040992200000000 ] - [ 0.0004963400000000, -0.0010790500000000, 0.0002743000000000 ] - [ 0.0001554300000000, 0.0011914300000000, 0.0002184800000000 ] - [ 0.0001351600000000, 0.0008538000000000, 0.0002845700000000 ] - [ 0.0009511200000000, 0.0008519000000000, -0.0009991900000000 ] - [ -0.0011247400000000, 0.0003968600000000, -0.0004550300000000 ] - [ -0.0006637500000000, 0.0007368400000000, 0.0001099500000000 ] - [ -0.0000501600000000, 0.0005968300000000, -0.0002317900000000 ] - [ -0.0004568800000000, 0.0015667900000000, 0.0008821700000000 ] - [ 0.0018155200000000, 0.0013032400000000, 0.0006271900000000 ] - [ 0.0010833000000000, 0.0015711300000000, -0.0021418000000000 ] - [ -0.0010231100000000, 0.0013026000000000, -0.0014101500000000 ] - [ -0.0159700100000000, -0.2993802500000000, -0.0471537200000000 ] - [ 0.0004404500000000, -0.0026372500000000, 0.0002419200000000 ] - [ -0.0001279700000000, 0.0029507300000000, -0.0002668400000000 ] - [ -0.0000942500000000, 0.0018733700000000, -0.0000370000000000 ] - [ 0.0002255200000000, 0.0020680900000000, -0.0000078200000000 ] - [ -0.0002103600000000, 0.0021436400000000, 0.0000513400000000 ] - [ -0.0005514000000000, -0.0024492000000000, 0.0012914300000000 ] - [ 0.0006281400000000, -0.0020365200000000, 0.0013566800000000 ] - [ -0.0061367300000000, 0.0231075200000000, -0.0189695900000000 ] - [ 0.0009018600000000, -0.0023412800000000, 0.0011750300000000 ] - [ 0.0005235600000000, 0.0035732400000000, 0.0004496700000000 ] - [ -0.0000483900000000, 0.0012378400000000, -0.0002580300000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017929400000000, 0.0008171300000000, -0.0104061000000000 ] - [ 0.0005217200000000, -0.0009983300000000, 0.0004813500000000 ] - [ 0.0003847900000000, 0.0015482700000000, 0.0006825300000000 ] - [ 0.0004822900000000, 0.0009568300000000, -0.0001196400000000 ] - [ -0.0008592600000000, 0.0000884300000000, 0.0006919900000000 ] - [ 0.0004088100000000, -0.0005074000000000, -0.0004121200000000 ] - [ -0.0000291300000000, 0.0010896000000000, -0.0008184900000000 ] - [ -0.0004963400000000, 0.0011278300000000, -0.0005848400000000 ] - [ 0.0140840200000000, -0.0634192800000000, 0.0413780100000000 ] - [ 0.0008070100000000, -0.0024472500000000, 0.0010520100000000 ] - [ 0.0000626300000000, 0.0029787000000000, -0.0016892900000000 ] - [ 0.0002088000000000, 0.0017238500000000, -0.0010795500000000 ] - [ 0.0007367100000000, 0.0015140000000000, 0.0004319500000000 ] - [ 0.0008241500000000, 0.0014793500000000, 0.0004162400000000 ] - [ 0.0005996500000000, -0.0004462900000000, -0.0011256100000000 ] - [ 0.0001440500000000, -0.0005532600000000, -0.0008233500000000 ] - [ 0.0002164300000000, 0.0022497400000000, 0.0006125600000000 ] - [ 0.0001020700000000, 0.0012725400000000, 0.0004140200000000 ] - [ -0.0669888800000000, -0.1358550200000000, -0.0490147100000000 ] - [ -0.0006361100000000, -0.0014526500000000, -0.0000035700000000 ] - [ 0.0000349100000000, -0.0026492300000000, 0.0005928900000000 ] - [ 0.0001252800000000, -0.0027431600000000, 0.0004780900000000 ] - [ -0.0004096200000000, 0.0015401900000000, -0.0000518300000000 ] - [ -0.0004594000000000, 0.0015956600000000, -0.0000639000000000 ] - [ 0.0137688800000000, -0.0328729800000000, -0.0009762100000000 ] - [ 0.0019042200000000, -0.0028920100000000, 0.0001574600000000 ] - [ 0.0004782700000000, 0.0008083800000000, 0.0001298700000000 ] - [ 0.0004959800000000, 0.0004732700000000, 0.0001110700000000 ] - [ 0.0009051200000000, 0.0015971100000000, 0.0001766700000000 ] - [ 0.0006654200000000, 0.0019642300000000, 0.0000410700000000 ] - [ 0.0002636000000000, -0.0010436400000000, 0.0003457500000000 ] - [ 0.0009923400000000, -0.0007724800000000, 0.0018306400000000 ] - [ 0.0177394700000000, -0.0463142000000000, -0.0481152300000000 ] - [ -0.0007214400000000, -0.0013962500000000, -0.0008255300000000 ] - [ -0.0006215100000000, 0.0016912800000000, 0.0000229300000000 ] - [ -0.0006050500000000, 0.0013473600000000, 0.0000575200000000 ] - [ -0.0001516000000000, 0.0010513600000000, -0.0003498700000000 ] - [ -0.0009133700000000, 0.0010197600000000, -0.0003210200000000 ] - [ -0.0022052100000000, -0.0011655400000000, 0.0022925900000000 ] - [ 0.0007678700000000, -0.0011626800000000, 0.0014099200000000 ] - [ 0.0013520200000000, 0.0075474800000000, -0.0017781600000000 ] - [ -0.0003730700000000, -0.0001893400000000, 0.0000211500000000 ] - [ 0.0003739700000000, 0.0040325100000000, 0.0012314400000000 ] - [ 0.0003048900000000, 0.0009743600000000, 0.0000636700000000 ] - [ -0.0010882300000000, 0.0001985200000000, -0.0001587200000000 ] - [ 0.0005223100000000, 0.0012490700000000, 0.0015101400000000 ] - [ -0.0001567900000000, 0.0003249400000000, -0.0001611900000000 ] - [ -0.0017233300000000, 0.0013006600000000, -0.0010014800000000 ] - [ -0.0006472000000000, 0.0012665400000000, 0.0004361800000000 ] - [ 0.0013068400000000, 0.0009448700000000, 0.0000726000000000 ] - [ 0.0026011500000000, 0.0018688200000000, -0.0018296300000000 ] - [ -0.0011176800000000, 0.0010534500000000, -0.0012713700000000 ] - [ -0.0087079500000000, 0.0038011000000000, -0.0032490500000000 ] - [ 0.0007058300000000, -0.0008519900000000, 0.0001921200000000 ] - [ -0.0005091700000000, 0.0020483900000000, 0.0005344200000000 ] - [ -0.0012699000000000, 0.0010140100000000, 0.0002289700000000 ] - [ 0.0033735800000000, -0.0081645300000000, -0.0046866600000000 ] - [ -0.0004891900000000, 0.0005139400000000, -0.0000187600000000 ] - [ -0.0004618300000000, -0.0018223500000000, 0.0001333700000000 ] - [ -0.0001864800000000, -0.0007201300000000, -0.0003812400000000 ] - [ 0.0001989600000000, -0.0010215000000000, 0.0001954700000000 ] - [ 0.0001039400000000, -0.0009064000000000, 0.0002793400000000 ] - [ -0.0054954100000000, 0.0020258500000000, 0.0048473100000000 ] - [ 0.0018835800000000, 0.0003083300000000, 0.0008623200000000 ] - [ 0.0001152200000000, 0.0072165700000000, -0.0011288200000000 ] - [ 0.0003019700000000, 0.0018845200000000, -0.0008313800000000 ] - [ -0.0000896900000000, -0.0009819200000000, -0.0002982500000000 ] - [ -0.0000780200000000, -0.0007558900000000, -0.0003227300000000 ] - [ 0.0000482500000000, -0.0009193100000000, -0.0001181400000000 ] - [ 0.0000762200000000, -0.0010072900000000, -0.0002950100000000 ] - [ -0.0002151500000000, 0.0006560800000000, -0.0003197400000000 ] - [ 0.0014304000000000, -0.0008179300000000, 0.0079719600000000 ] - [ -0.0002739000000000, 0.0018202000000000, 0.0008841800000000 ] - [ -0.0020379500000000, 0.0012157900000000, -0.0026198200000000 ] - [ -0.0000628600000000, -0.0006637600000000, -0.0000053600000000 ] - [ -0.0000707900000000, -0.0007796300000000, 0.0001402500000000 ] - [ 0.0005637600000000, -0.0022087700000000, -0.0000231500000000 ] - [ -0.0003961000000000, -0.0007961200000000, 0.0000672400000000 ] - [ -0.0031330500000000, -0.0050786200000000, -0.0024192400000000 ] - [ 0.0007205400000000, -0.0002708500000000, -0.0001225400000000 ] - [ 0.0006213300000000, 0.0007763100000000, -0.0013845500000000 ] - [ 0.0006476300000000, 0.0017226300000000, 0.0008972100000000 ] - [ -0.0000345000000000, -0.0012743800000000, -0.0000472500000000 ] - [ -0.0000651300000000, -0.0013465900000000, -0.0001769200000000 ] - [ -0.0005273600000000, -0.0013756700000000, -0.0003576200000000 ] - [ 0.0003466500000000, -0.0003902400000000, -0.0000984300000000 ] - [ 0.0075239300000000, -0.0101675100000000, -0.0034211700000000 ] - [ -0.0011164500000000, 0.0004725800000000, -0.0001812200000000 ] - [ -0.0086297700000000, -0.0049888900000000, 0.0008679500000000 ] - [ 0.0018732300000000, 0.0004587300000000, 0.0000773100000000 ] - [ 0.0003157300000000, -0.0015610000000000, 0.0003553500000000 ] - [ -0.0003661200000000, -0.0011632500000000, 0.0003338600000000 ] - [ 0.0000260000000000, -0.0000845700000000, -0.0001581700000000 ] - [ 0.0003626200000000, -0.0006420300000000, 0.0013249900000000 ] - [ -0.0000302100000000, -0.0001436200000000, 0.0008314700000000 ] - [ 0.0000437400000000, -0.0000854400000000, -0.0000232200000000 ] - [ 0.0008620900000000, 0.0064502300000000, -0.0037160700000000 ] - [ -0.0000350300000000, 0.0012706100000000, 0.0000908200000000 ] - [ 0.0003046200000000, -0.0010021700000000, 0.0001471200000000 ] - [ 0.0003250700000000, -0.0006638900000000, 0.0000816400000000 ] - [ -0.0016773200000000, -0.0006549900000000, 0.0004868500000000 ] - [ 0.0004008100000000, -0.0002006100000000, -0.0000551200000000 ] - [ -0.0000602700000000, -0.0005384000000000, -0.0006244800000000 ] - [ -0.0006732500000000, -0.0003947300000000, -0.0002779400000000 ] - [ 0.0008357800000000, -0.0009596500000000, -0.0009072700000000 ] - [ -0.0014130900000000, -0.0006970500000000, -0.0006456800000000 ] - [ -0.0007009800000000, -0.0009534600000000, 0.0021217100000000 ] - [ 0.0014057800000000, -0.0006867300000000, 0.0014001300000000 ] - [ 0.0221355800000000, 0.3022294400000000, 0.0532899000000000 ] - [ -0.0005094500000000, 0.0026665100000000, -0.0000587200000000 ] - [ 0.0000608500000000, -0.0029218900000000, 0.0004463900000000 ] - [ 0.0000206800000000, -0.0018431300000000, 0.0002184800000000 ] - [ -0.0002894900000000, -0.0020936000000000, 0.0002000400000000 ] - [ 0.0001393500000000, -0.0021689100000000, 0.0001357400000000 ] - [ 0.0004830300000000, 0.0024277900000000, -0.0011235600000000 ] - [ -0.0006952900000000, 0.0020175600000000, -0.0011650200000000 ] - [ 0.0064987800000000, -0.0237255600000000, 0.0188936800000000 ] - [ -0.0005114300000000, 0.0017261400000000, -0.0012004200000000 ] - [ -0.0001525900000000, -0.0041921700000000, -0.0004734100000000 ] - [ 0.0004342700000000, -0.0018512700000000, 0.0002376500000000 ]- atom: 109 displacement: [ -0.0056102387878962, 0.0000000000000000, 0.0082779961791961 ] forces: - [ 0.0007867000000000, 0.0013524500000000, -0.0037979700000000 ] - [ 0.0006045800000000, -0.0013481100000000, -0.0033792200000000 ] - [ 0.0004774900000000, -0.0000471600000000, -0.0002470600000000 ] - [ 0.0004848200000000, 0.0001039400000000, -0.0002550600000000 ] - [ 0.0026199100000000, -0.0031373900000000, -0.0006808500000000 ] - [ -0.0016561800000000, -0.0005595100000000, 0.0003602600000000 ] - [ 0.0000851000000000, 0.0002686700000000, -0.0002543900000000 ] - [ -0.0001742300000000, -0.0002318100000000, 0.0001763700000000 ] - [ -0.0007406000000000, -0.0280393400000000, 0.0392987500000000 ] - [ 0.0014898300000000, 0.0002655700000000, -0.0008842700000000 ] - [ 0.0003830700000000, 0.0001458600000000, -0.0003009000000000 ] - [ 0.0005056000000000, 0.0001831000000000, -0.0003841900000000 ] - [ 0.0006232400000000, -0.0011101900000000, -0.0010878200000000 ] - [ -0.0000413900000000, -0.0003723000000000, -0.0006500600000000 ] - [ 0.0012579400000000, 0.0006565400000000, -0.0014059100000000 ] - [ -0.0006558100000000, 0.0000668600000000, 0.0001739000000000 ] - [ -0.0002094100000000, 0.0002921700000000, 0.0004976500000000 ] - [ -0.0000377000000000, 0.0000638600000000, 0.0002351100000000 ] - [ -0.0150209700000000, 0.0048029400000000, 0.0269024200000000 ] - [ 0.0019363800000000, 0.0000888300000000, -0.0000475000000000 ] - [ 0.0027879400000000, 0.0006923200000000, -0.0025327400000000 ] - [ -0.0029618900000000, 0.0008823700000000, -0.0001411000000000 ] - [ -0.0000416600000000, -0.0000700700000000, 0.0000396900000000 ] - [ -0.0002921100000000, 0.0001050400000000, 0.0001283800000000 ] - [ -0.1104293600000000, 0.0092633200000000, 0.0270015700000000 ] - [ 0.0035371200000000, -0.0009182700000000, 0.0012091000000000 ] - [ 0.0006302900000000, -0.0004739400000000, 0.0002431100000000 ] - [ 0.0006911300000000, -0.0005844600000000, 0.0002002700000000 ] - [ 0.0007410000000000, 0.0004530700000000, -0.0000668900000000 ] - [ 0.0004859100000000, 0.0008304000000000, -0.0000125200000000 ] - [ 0.0030115700000000, 0.0023936800000000, -0.0030902900000000 ] - [ -0.0010128300000000, -0.0000385800000000, -0.0001207100000000 ] - [ -0.0762804700000000, 0.0498838400000000, 0.1705575600000000 ] - [ 0.0010384300000000, 0.0004048400000000, -0.0004574800000000 ] - [ -0.0006769700000000, 0.0003859100000000, 0.0001535900000000 ] - [ -0.0005069000000000, 0.0002986800000000, -0.0000725900000000 ] - [ -0.0002230200000000, 0.0000940000000000, -0.0005558800000000 ] - [ -0.0008234300000000, -0.0000370100000000, -0.0001803100000000 ] - [ 0.0016587500000000, -0.0011594400000000, -0.0034495800000000 ] - [ -0.0010692500000000, -0.0002373400000000, -0.0000557100000000 ] - [ 0.0008549000000000, 0.0059129500000000, -0.0007362400000000 ] - [ 0.0002763000000000, -0.0001368100000000, -0.0005572300000000 ] - [ -0.0005356300000000, -0.0003832200000000, -0.0003493100000000 ] - [ 0.0002294300000000, 0.0002031700000000, -0.0001602000000000 ] - [ 0.0004272100000000, -0.0003454500000000, 0.0000348100000000 ] - [ -0.0027804100000000, -0.0019598000000000, 0.0005540200000000 ] - [ -0.0002779700000000, 0.0000183200000000, 0.0001294200000000 ] - [ -0.0018526100000000, 0.0006840100000000, 0.0008428500000000 ] - [ 0.0011563700000000, -0.0008956200000000, 0.0006545700000000 ] - [ 0.0003637300000000, 0.0005445400000000, 0.0010455200000000 ] - [ 0.0008459300000000, 0.0012744900000000, 0.0000999800000000 ] - [ 0.0005218900000000, -0.0013840800000000, 0.0007360600000000 ] - [ -0.0069210200000000, 0.0033542000000000, -0.0020136700000000 ] - [ 0.0014874000000000, 0.0004926300000000, -0.0014607100000000 ] - [ -0.0011013000000000, 0.0002234000000000, 0.0002728500000000 ] - [ -0.0007075700000000, 0.0000917400000000, 0.0000554100000000 ] - [ -0.0005252200000000, 0.0062865000000000, -0.0036916900000000 ] - [ -0.0009045300000000, -0.0004726800000000, -0.0003491300000000 ] - [ -0.0001853300000000, -0.0002925100000000, -0.0004419400000000 ] - [ -0.0005396600000000, -0.0000164900000000, -0.0002742200000000 ] - [ 0.0002686100000000, 0.0000260400000000, 0.0000932000000000 ] - [ 0.0002032900000000, -0.0001527000000000, 0.0001584700000000 ] - [ -0.0098236200000000, -0.0069730900000000, 0.0022169300000000 ] - [ -0.0011397700000000, 0.0010239100000000, -0.0013826600000000 ] - [ 0.0016772900000000, 0.0012703700000000, -0.0029003000000000 ] - [ -0.0049200000000000, 0.0002464400000000, 0.0029131700000000 ] - [ 0.0000528300000000, -0.0000145200000000, -0.0002966300000000 ] - [ -0.0000684800000000, 0.0000371600000000, -0.0002083500000000 ] - [ -0.0001464400000000, -0.0000840500000000, -0.0001593800000000 ] - [ 0.0000977100000000, 0.0001023600000000, -0.0002935000000000 ] - [ -0.0009135500000000, 0.0000871000000000, 0.0001414800000000 ] - [ 0.0054391400000000, -0.0068653900000000, 0.0038663200000000 ] - [ -0.0016818200000000, 0.0004668000000000, 0.0010430800000000 ] - [ 0.0055134600000000, 0.0023220800000000, 0.0019497100000000 ] - [ -0.0001461300000000, 0.0001785200000000, 0.0000880000000000 ] - [ 0.0000095600000000, 0.0001767900000000, 0.0000243200000000 ] - [ 0.0003395900000000, -0.0008873600000000, -0.0005588500000000 ] - [ -0.0003406500000000, -0.0004571300000000, 0.0001255600000000 ] - [ 0.0002576300000000, -0.0003173700000000, -0.0003038900000000 ] - [ -0.0006671700000000, 0.0001833400000000, 0.0005484300000000 ] - [ -0.0034253300000000, 0.0012630700000000, 0.0061922500000000 ] - [ 0.0007544700000000, -0.0002795900000000, 0.0003212800000000 ] - [ 0.0000036600000000, -0.0004128500000000, -0.0000794400000000 ] - [ -0.0000237300000000, -0.0003747900000000, -0.0000979700000000 ] - [ -0.0001383700000000, -0.0003459300000000, -0.0005254900000000 ] - [ 0.0000229200000000, 0.0003179500000000, -0.0002595000000000 ] - [ -0.0000953500000000, 0.0068639600000000, 0.0001007500000000 ] - [ -0.0003913600000000, 0.0002112500000000, -0.0003090600000000 ] - [ -0.0027580600000000, -0.0062629000000000, -0.0014279900000000 ] - [ -0.0001642500000000, 0.0002105600000000, -0.0007189200000000 ] - [ 0.0000376500000000, -0.0000753700000000, 0.0003057800000000 ] - [ -0.0000379400000000, -0.0004229100000000, 0.0002656600000000 ] - [ -0.0000596500000000, 0.0013219700000000, 0.0011150700000000 ] - [ 0.0001668000000000, -0.0001977400000000, 0.0010702600000000 ] - [ -0.0000627300000000, -0.0003704500000000, 0.0006491000000000 ] - [ -0.0000217200000000, 0.0003703800000000, 0.0003640300000000 ] - [ 0.0003445700000000, 0.0040144000000000, 0.0119473600000000 ] - [ 0.0004642300000000, -0.0000573800000000, 0.0014820700000000 ] - [ 0.0001852400000000, -0.0000724500000000, 0.0002554700000000 ] - [ 0.0002812000000000, 0.0000664800000000, 0.0001992900000000 ] - [ -0.0014006800000000, -0.0004087000000000, 0.0009234200000000 ] - [ 0.0004519700000000, 0.0002529400000000, 0.0002736400000000 ] - [ -0.0004794100000000, 0.0002147100000000, 0.0000557900000000 ] - [ -0.0002587300000000, -0.0000168400000000, -0.0002487700000000 ] - [ -0.0016502300000000, 0.0025688100000000, -0.0004224800000000 ] - [ 0.0023034800000000, 0.0007887500000000, -0.0009473000000000 ] - [ -0.0005527300000000, -0.0007982900000000, 0.0003216400000000 ] - [ 0.0015217400000000, 0.0006818800000000, -0.0014871700000000 ] - [ 0.2124361600000000, -0.0334044500000000, -0.2861497400000000 ] - [ -0.0030646400000000, -0.0001214600000000, 0.0006704400000000 ] - [ 0.0000329100000000, -0.0002306300000000, -0.0001600800000000 ] - [ -0.0001334500000000, -0.0000599800000000, 0.0001122600000000 ] - [ -0.0002155400000000, 0.0002108100000000, 0.0009694000000000 ] - [ 0.0002033500000000, -0.0000805000000000, 0.0004136200000000 ] - [ -0.0036382500000000, -0.0013025300000000, 0.0038355300000000 ] - [ 0.0019044100000000, -0.0006850200000000, 0.0000139200000000 ] - [ 0.0019392700000000, -0.0123533500000000, 0.0138573700000000 ] - [ -0.0018058600000000, 0.0002831200000000, 0.0023797300000000 ] - [ 0.0004818200000000, -0.0001114800000000, 0.0000832800000000 ] - [ 0.0000161700000000, -0.0003773800000000, 0.0001324700000000 ]- atom: 109 displacement: [ 0.0056102387878962, 0.0000000000000000, -0.0082779961791961 ] forces: - [ 0.0002126300000000, -0.0013752600000000, 0.0035208600000000 ] - [ 0.0003746700000000, 0.0013313300000000, 0.0031302200000000 ] - [ 0.0004979800000000, 0.0000414300000000, 0.0000120100000000 ] - [ 0.0004957400000000, -0.0001163600000000, 0.0000041400000000 ] - [ -0.0025582000000000, 0.0028322100000000, 0.0004823300000000 ] - [ 0.0017121200000000, 0.0002698300000000, -0.0005614500000000 ] - [ -0.0000219100000000, -0.0005665700000000, 0.0000592700000000 ] - [ 0.0002363200000000, -0.0000675500000000, -0.0003726000000000 ] - [ 0.0011598800000000, 0.0291798900000000, -0.0405031300000000 ] - [ -0.0005801100000000, -0.0000494500000000, 0.0002216900000000 ] - [ 0.0005186200000000, 0.0001082500000000, -0.0003909700000000 ] - [ 0.0004029200000000, 0.0000460100000000, -0.0002851900000000 ] - [ 0.0002835600000000, 0.0008758800000000, 0.0004114900000000 ] - [ 0.0009418600000000, 0.0001205800000000, -0.0000438500000000 ] - [ -0.0003479700000000, -0.0008808200000000, 0.0007314600000000 ] - [ 0.0015618100000000, -0.0002975200000000, -0.0008445400000000 ] - [ -0.0000812800000000, -0.0003120600000000, -0.0000507700000000 ] - [ -0.0002443800000000, -0.0000721900000000, 0.0002163200000000 ] - [ 0.0152191200000000, -0.0039790100000000, -0.0260423000000000 ] - [ -0.0022137300000000, -0.0000942300000000, 0.0004949500000000 ] - [ -0.0030787500000000, -0.0006842300000000, 0.0029848400000000 ] - [ 0.0026733800000000, -0.0008745700000000, 0.0005923400000000 ] - [ -0.0002427400000000, 0.0000847900000000, 0.0004104700000000 ] - [ -0.0000021500000000, -0.0000754300000000, 0.0003164000000000 ] - [ 0.1150363400000000, -0.0108928500000000, -0.0259232500000000 ] - [ -0.0022517400000000, -0.0003205300000000, -0.0008889600000000 ] - [ 0.0006685800000000, -0.0007563300000000, 0.0000673700000000 ] - [ 0.0005889800000000, -0.0006442100000000, 0.0001113000000000 ] - [ 0.0005404000000000, 0.0007798500000000, 0.0003776800000000 ] - [ 0.0008142400000000, 0.0004058800000000, 0.0003221600000000 ] - [ -0.0017304400000000, -0.0011622100000000, 0.0033920400000000 ] - [ 0.0023121000000000, 0.0012725900000000, 0.0004353300000000 ] - [ 0.0716450700000000, -0.0457143500000000, -0.1608947900000000 ] - [ -0.0021972700000000, 0.0001179800000000, 0.0003248500000000 ] - [ -0.0004982800000000, 0.0001514000000000, -0.0002593100000000 ] - [ -0.0006610200000000, 0.0002316800000000, -0.0000531100000000 ] - [ -0.0009448100000000, -0.0006218600000000, 0.0004308600000000 ] - [ -0.0003545400000000, -0.0004957000000000, 0.0000757000000000 ] - [ -0.0028404300000000, 0.0006424900000000, 0.0033427300000000 ] - [ -0.0001029600000000, -0.0002961500000000, -0.0000639100000000 ] - [ -0.0007762600000000, -0.0055735200000000, 0.0005321300000000 ] - [ -0.0002129000000000, 0.0004450600000000, 0.0003635500000000 ] - [ 0.0005950800000000, 0.0006779400000000, 0.0001473400000000 ] - [ -0.0001628300000000, 0.0001076400000000, -0.0000329200000000 ] - [ -0.0021279600000000, 0.0000549600000000, 0.0003739900000000 ] - [ 0.0010913800000000, 0.0016723700000000, -0.0001423900000000 ] - [ -0.0014230100000000, -0.0003059800000000, 0.0002813300000000 ] - [ 0.0001492500000000, -0.0009711000000000, -0.0004294500000000 ] - [ -0.0001815600000000, 0.0009067900000000, -0.0008928100000000 ] - [ 0.0006097600000000, -0.0005374400000000, -0.0012804300000000 ] - [ 0.0001344100000000, -0.0012502300000000, -0.0003448800000000 ] - [ 0.0004563300000000, 0.0013946900000000, -0.0009816800000000 ] - [ 0.0051802700000000, -0.0030423700000000, 0.0024084300000000 ] - [ -0.0032056500000000, -0.0002079100000000, 0.0018719600000000 ] - [ -0.0005885200000000, 0.0000669900000000, 0.0001373600000000 ] - [ -0.0010087200000000, 0.0002017700000000, 0.0003532300000000 ] - [ -0.0001887200000000, -0.0064700100000000, 0.0031666500000000 ] - [ 0.0001799100000000, 0.0002732000000000, -0.0001620500000000 ] - [ -0.0005361300000000, 0.0000912800000000, -0.0000715300000000 ] - [ -0.0001844600000000, -0.0001842100000000, -0.0002377100000000 ] - [ 0.0001919600000000, -0.0002182900000000, 0.0002710500000000 ] - [ 0.0002565600000000, -0.0000386700000000, 0.0002061000000000 ] - [ 0.0101657600000000, 0.0067173300000000, -0.0018240400000000 ] - [ 0.0016092700000000, -0.0012168600000000, 0.0017552200000000 ] - [ -0.0016674200000000, -0.0010878200000000, 0.0023953600000000 ] - [ 0.0049535400000000, -0.0000738800000000, -0.0034263800000000 ] - [ -0.0000618000000000, 0.0001818300000000, -0.0002132900000000 ] - [ 0.0000584200000000, 0.0001303600000000, -0.0003013400000000 ] - [ 0.0001362000000000, -0.0000865700000000, -0.0003495900000000 ] - [ -0.0001065400000000, -0.0002732500000000, -0.0002166300000000 ] - [ 0.0008983800000000, -0.0002560400000000, -0.0006547900000000 ] - [ -0.0054063400000000, 0.0066516500000000, -0.0043486200000000 ] - [ 0.0015520000000000, 0.0000637000000000, -0.0009659400000000 ] - [ -0.0056280700000000, -0.0017855100000000, -0.0018660800000000 ] - [ 0.0000179600000000, 0.0003423500000000, -0.0000102000000000 ] - [ -0.0001370000000000, 0.0003451800000000, 0.0000536600000000 ] - [ -0.0004653200000000, 0.0003584000000000, 0.0006356200000000 ] - [ 0.0002123600000000, -0.0000673900000000, -0.0000482400000000 ] - [ -0.0003915400000000, -0.0002177100000000, 0.0003748000000000 ] - [ 0.0005411200000000, -0.0007092700000000, -0.0004670500000000 ] - [ 0.0033880100000000, -0.0018982000000000, -0.0063799100000000 ] - [ -0.0007852800000000, -0.0003722100000000, -0.0005452100000000 ] - [ -0.0000310800000000, -0.0002457200000000, -0.0001449300000000 ] - [ -0.0000047800000000, -0.0002826400000000, -0.0001262800000000 ] - [ 0.0001084400000000, 0.0009981800000000, 0.0003000600000000 ] - [ -0.0000499200000000, 0.0003359400000000, 0.0000344400000000 ] - [ 0.0000651000000000, -0.0062381700000000, -0.0002983900000000 ] - [ 0.0003624400000000, 0.0004438400000000, 0.0000818300000000 ] - [ 0.0028018600000000, 0.0057331500000000, 0.0021496300000000 ] - [ 0.0002131700000000, -0.0007703100000000, 0.0014145000000000 ] - [ 0.0000069800000000, -0.0004882400000000, 0.0003936600000000 ] - [ 0.0000826000000000, -0.0001411900000000, 0.0004323700000000 ] - [ 0.0001053300000000, -0.0007626100000000, -0.0004170900000000 ] - [ -0.0001220000000000, 0.0007581600000000, -0.0003679600000000 ] - [ 0.0001097200000000, 0.0009280300000000, 0.0000505300000000 ] - [ 0.0000645200000000, 0.0001893900000000, 0.0003357300000000 ] - [ 0.0000955700000000, -0.0038578800000000, -0.0117579700000000 ] - [ -0.0000007200000000, 0.0002514000000000, -0.0011178300000000 ] - [ 0.0002749000000000, 0.0002598100000000, 0.0001088200000000 ] - [ 0.0001797300000000, 0.0001219000000000, 0.0001648700000000 ] - [ 0.0006743700000000, 0.0006097900000000, -0.0014350200000000 ] - [ -0.0011734900000000, -0.0000550700000000, -0.0007851100000000 ] - [ -0.0002452200000000, -0.0000200600000000, -0.0005666300000000 ] - [ -0.0004638100000000, 0.0002154000000000, -0.0002632900000000 ] - [ 0.0020358700000000, -0.0019628900000000, 0.0003853600000000 ] - [ -0.0019147100000000, -0.0001789900000000, 0.0009295200000000 ] - [ 0.0009384000000000, 0.0013927700000000, -0.0003530700000000 ] - [ -0.0011356400000000, -0.0000779700000000, 0.0014547900000000 ] - [ -0.2123118900000000, 0.0284895700000000, 0.2760552300000000 ] - [ 0.0029767700000000, 0.0001573900000000, -0.0004845700000000 ] - [ -0.0001046500000000, 0.0002500300000000, 0.0003444200000000 ] - [ 0.0000611600000000, 0.0000864200000000, 0.0000678000000000 ] - [ 0.0001459900000000, -0.0002344300000000, -0.0007811300000000 ] - [ -0.0002681800000000, 0.0000542900000000, -0.0002242200000000 ] - [ 0.0035676900000000, 0.0012872200000000, -0.0036508800000000 ] - [ -0.0019924100000000, 0.0006629500000000, 0.0001752600000000 ] - [ -0.0015833300000000, 0.0117404300000000, -0.0138551000000000 ] - [ 0.0021916500000000, -0.0008878900000000, -0.0024130700000000 ] - [ -0.0001041800000000, -0.0005031300000000, -0.0001073100000000 ] - [ 0.0003682500000000, -0.0002405400000000, -0.0001542500000000 ]