# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ad8c0f3b-a3aa-4ca2-8fdf-ee9073b1ded9/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 Ba2Ga6O11 / Pnnm (58) / materials id 778485](https://mdr.nims.go.jp/datasets/66fe6007-f9fc-4604-9265-a42ac45dd56e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.106746460000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.919093709999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.822361969999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.394736020000000, 0.140924700000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.466142450000000, 0.154707400000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.966142450000000, 0.345292600000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.894736020000000, 0.359075300000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.105263980000000, 0.640924700000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.033857550000000, 0.654707400000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.533857550000000, 0.845292600000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.605263980000000, 0.859075300000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ga # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.832902560000000 ] mass: 69.723000 - symbol: Ga # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 - symbol: Ga # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.167097440000000 ] mass: 69.723000 - symbol: Ga # 13 coordinates: [ 0.989549500000000, 0.072872460000000, 0.679265570000000 ] mass: 69.723000 - symbol: Ga # 14 coordinates: [ 0.989549500000000, 0.072872460000000, 0.320734430000000 ] mass: 69.723000 - symbol: Ga # 15 coordinates: [ 0.885764270000000, 0.213155390000000, 0.206030260000000 ] mass: 69.723000 - symbol: Ga # 16 coordinates: [ 0.885764270000000, 0.213155390000000, 0.793969740000000 ] mass: 69.723000 - symbol: Ga # 17 coordinates: [ 0.385764270000000, 0.286844610000000, 0.706030260000000 ] mass: 69.723000 - symbol: Ga # 18 coordinates: [ 0.385764270000000, 0.286844610000000, 0.293969740000000 ] mass: 69.723000 - symbol: Ga # 19 coordinates: [ 0.489549500000000, 0.427127540000000, 0.820734430000000 ] mass: 69.723000 - symbol: Ga # 20 coordinates: [ 0.489549500000000, 0.427127540000000, 0.179265570000000 ] mass: 69.723000 - symbol: Ga # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.667097440000000 ] mass: 69.723000 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.332902560000000 ] mass: 69.723000 - symbol: Ga # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 - symbol: Ga # 25 coordinates: [ 0.510450500000000, 0.572872460000000, 0.179265570000000 ] mass: 69.723000 - symbol: Ga # 26 coordinates: [ 0.510450500000000, 0.572872460000000, 0.820734430000000 ] mass: 69.723000 - symbol: Ga # 27 coordinates: [ 0.614235730000000, 0.713155390000000, 0.706030260000000 ] mass: 69.723000 - symbol: Ga # 28 coordinates: [ 0.614235730000000, 0.713155390000000, 0.293969740000000 ] mass: 69.723000 - symbol: Ga # 29 coordinates: [ 0.114235730000000, 0.786844610000000, 0.793969740000000 ] mass: 69.723000 - symbol: Ga # 30 coordinates: [ 0.114235730000000, 0.786844610000000, 0.206030260000000 ] mass: 69.723000 - symbol: Ga # 31 coordinates: [ 0.010450500000000, 0.927127540000000, 0.679265570000000 ] mass: 69.723000 - symbol: Ga # 32 coordinates: [ 0.010450500000000, 0.927127540000000, 0.320734430000000 ] mass: 69.723000 - symbol: O # 33 coordinates: [ 0.672210780000000, 0.044413070000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.178032640000000, 0.048543110000000, 0.842870910000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.178032640000000, 0.048543110000000, 0.157129090000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.642591810000000, 0.049700620000000, 0.663277970000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.642591810000000, 0.049700620000000, 0.336722030000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.172907750000000, 0.054417480000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.008579040000000, 0.153433580000000, 0.323324110000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.008579040000000, 0.153433580000000, 0.676675890000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.936861060000000, 0.199972090000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.526606460000000, 0.215868220000000, 0.237631600000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.526606460000000, 0.215868220000000, 0.762368400000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.026606460000000, 0.284131780000000, 0.737631600000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.026606460000000, 0.284131780000000, 0.262368400000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.436861060000000, 0.300027910000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.508579040000000, 0.346566420000000, 0.823324110000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.508579040000000, 0.346566420000000, 0.176675890000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.672907750000000, 0.445582520000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.142591810000000, 0.450299380000000, 0.836722030000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.142591810000000, 0.450299380000000, 0.163277970000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.678032640000000, 0.451456890000000, 0.342870910000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.678032640000000, 0.451456890000000, 0.657129090000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.172210780000000, 0.455586930000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.827789220000000, 0.544413070000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.321967360000000, 0.548543110000000, 0.657129090000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.321967360000000, 0.548543110000000, 0.342870910000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.857408190000000, 0.549700620000000, 0.836722030000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.857408190000000, 0.549700620000000, 0.163277970000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.327092250000000, 0.554417480000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.491420960000000, 0.653433580000000, 0.176675890000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.491420960000000, 0.653433580000000, 0.823324110000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.563138940000000, 0.699972090000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.973393540000000, 0.715868220000000, 0.262368400000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.973393540000000, 0.715868220000000, 0.737631600000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.473393540000000, 0.784131780000000, 0.762368400000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.473393540000000, 0.784131780000000, 0.237631600000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.063138940000000, 0.800027910000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.991420960000000, 0.846566420000000, 0.323324110000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.991420960000000, 0.846566420000000, 0.676675890000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.827092250000000, 0.945582520000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.357408190000000, 0.950299380000000, 0.663277970000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.357408190000000, 0.950299380000000, 0.336722030000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.821967360000000, 0.951456890000000, 0.842870910000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.821967360000000, 0.951456890000000, 0.157129090000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.327789220000000, 0.955586930000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.195819394566144, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.043631742714315, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.113348330458493 ] # c*unit_cell: lattice: - [ 5.106746460000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.919093709999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.822361969999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.394736020000000, 0.140924700000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.466142450000000, 0.154707400000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.966142450000000, 0.345292600000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.894736020000000, 0.359075300000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.105263980000000, 0.640924700000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.033857550000000, 0.654707400000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.533857550000000, 0.845292600000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.605263980000000, 0.859075300000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ga # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.832902560000000 ] mass: 69.723000 reduced_to: 10 - symbol: Ga # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 11 - symbol: Ga # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.167097440000000 ] mass: 69.723000 reduced_to: 12 - symbol: Ga # 13 coordinates: [ 0.989549500000000, 0.072872460000000, 0.679265570000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.989549500000000, 0.072872460000000, 0.320734430000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 15 coordinates: [ 0.885764270000000, 0.213155390000000, 0.206030260000000 ] mass: 69.723000 reduced_to: 15 - symbol: Ga # 16 coordinates: [ 0.885764270000000, 0.213155390000000, 0.793969740000000 ] mass: 69.723000 reduced_to: 16 - symbol: Ga # 17 coordinates: [ 0.385764270000000, 0.286844610000000, 0.706030260000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 18 coordinates: [ 0.385764270000000, 0.286844610000000, 0.293969740000000 ] mass: 69.723000 reduced_to: 18 - symbol: Ga # 19 coordinates: [ 0.489549500000000, 0.427127540000000, 0.820734430000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.489549500000000, 0.427127540000000, 0.179265570000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.667097440000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.332902560000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 24 - symbol: Ga # 25 coordinates: [ 0.510450500000000, 0.572872460000000, 0.179265570000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 26 coordinates: [ 0.510450500000000, 0.572872460000000, 0.820734430000000 ] mass: 69.723000 reduced_to: 26 - symbol: Ga # 27 coordinates: [ 0.614235730000000, 0.713155390000000, 0.706030260000000 ] mass: 69.723000 reduced_to: 27 - symbol: Ga # 28 coordinates: [ 0.614235730000000, 0.713155390000000, 0.293969740000000 ] mass: 69.723000 reduced_to: 28 - symbol: Ga # 29 coordinates: [ 0.114235730000000, 0.786844610000000, 0.793969740000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 30 coordinates: [ 0.114235730000000, 0.786844610000000, 0.206030260000000 ] mass: 69.723000 reduced_to: 30 - symbol: Ga # 31 coordinates: [ 0.010450500000000, 0.927127540000000, 0.679265570000000 ] mass: 69.723000 reduced_to: 31 - symbol: Ga # 32 coordinates: [ 0.010450500000000, 0.927127540000000, 0.320734430000000 ] mass: 69.723000 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.672210780000000, 0.044413070000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.178032640000000, 0.048543110000000, 0.842870910000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.178032640000000, 0.048543110000000, 0.157129090000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.642591810000000, 0.049700620000000, 0.663277970000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.642591810000000, 0.049700620000000, 0.336722030000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.172907750000000, 0.054417480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.008579040000000, 0.153433580000000, 0.323324110000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.008579040000000, 0.153433580000000, 0.676675890000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.936861060000000, 0.199972090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.526606460000000, 0.215868220000000, 0.237631600000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.526606460000000, 0.215868220000000, 0.762368400000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.026606460000000, 0.284131780000000, 0.737631600000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.026606460000000, 0.284131780000000, 0.262368400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.436861060000000, 0.300027910000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.508579040000000, 0.346566420000000, 0.823324110000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.508579040000000, 0.346566420000000, 0.176675890000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.672907750000000, 0.445582520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.142591810000000, 0.450299380000000, 0.836722030000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.142591810000000, 0.450299380000000, 0.163277970000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.678032640000000, 0.451456890000000, 0.342870910000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.678032640000000, 0.451456890000000, 0.657129090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.172210780000000, 0.455586930000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.827789220000000, 0.544413070000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.321967360000000, 0.548543110000000, 0.657129090000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.321967360000000, 0.548543110000000, 0.342870910000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.857408190000000, 0.549700620000000, 0.836722030000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.857408190000000, 0.549700620000000, 0.163277970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.327092250000000, 0.554417480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.491420960000000, 0.653433580000000, 0.176675890000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.491420960000000, 0.653433580000000, 0.823324110000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.563138940000000, 0.699972090000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.973393540000000, 0.715868220000000, 0.262368400000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.973393540000000, 0.715868220000000, 0.737631600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.473393540000000, 0.784131780000000, 0.762368400000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.473393540000000, 0.784131780000000, 0.237631600000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.063138940000000, 0.800027910000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.991420960000000, 0.846566420000000, 0.323324110000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.991420960000000, 0.846566420000000, 0.676675890000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.827092250000000, 0.945582520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.357408190000000, 0.950299380000000, 0.663277970000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.357408190000000, 0.950299380000000, 0.336722030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.821967360000000, 0.951456890000000, 0.842870910000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.821967360000000, 0.951456890000000, 0.157129090000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.327789220000000, 0.955586930000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 76supercell: lattice: - [ 5.106746460000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.919093709999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.822361969999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.394736020000000, 0.140924700000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.466142450000000, 0.154707400000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.966142450000000, 0.345292600000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.894736020000000, 0.359075300000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.105263980000000, 0.640924700000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.033857550000000, 0.654707400000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.533857550000000, 0.845292600000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.605263980000000, 0.859075300000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ga # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 9 - symbol: Ga # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.832902560000000 ] mass: 69.723000 reduced_to: 10 - symbol: Ga # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 11 - symbol: Ga # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.167097440000000 ] mass: 69.723000 reduced_to: 12 - symbol: Ga # 13 coordinates: [ 0.989549500000000, 0.072872460000000, 0.679265570000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.989549500000000, 0.072872460000000, 0.320734430000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 15 coordinates: [ 0.885764270000000, 0.213155390000000, 0.206030260000000 ] mass: 69.723000 reduced_to: 15 - symbol: Ga # 16 coordinates: [ 0.885764270000000, 0.213155390000000, 0.793969740000000 ] mass: 69.723000 reduced_to: 16 - symbol: Ga # 17 coordinates: [ 0.385764270000000, 0.286844610000000, 0.706030260000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 18 coordinates: [ 0.385764270000000, 0.286844610000000, 0.293969740000000 ] mass: 69.723000 reduced_to: 18 - symbol: Ga # 19 coordinates: [ 0.489549500000000, 0.427127540000000, 0.820734430000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.489549500000000, 0.427127540000000, 0.179265570000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.667097440000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.332902560000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 24 - symbol: Ga # 25 coordinates: [ 0.510450500000000, 0.572872460000000, 0.179265570000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 26 coordinates: [ 0.510450500000000, 0.572872460000000, 0.820734430000000 ] mass: 69.723000 reduced_to: 26 - symbol: Ga # 27 coordinates: [ 0.614235730000000, 0.713155390000000, 0.706030260000000 ] mass: 69.723000 reduced_to: 27 - symbol: Ga # 28 coordinates: [ 0.614235730000000, 0.713155390000000, 0.293969740000000 ] mass: 69.723000 reduced_to: 28 - symbol: Ga # 29 coordinates: [ 0.114235730000000, 0.786844610000000, 0.793969740000000 ] mass: 69.723000 reduced_to: 29 - symbol: Ga # 30 coordinates: [ 0.114235730000000, 0.786844610000000, 0.206030260000000 ] mass: 69.723000 reduced_to: 30 - symbol: Ga # 31 coordinates: [ 0.010450500000000, 0.927127540000000, 0.679265570000000 ] mass: 69.723000 reduced_to: 31 - symbol: Ga # 32 coordinates: [ 0.010450500000000, 0.927127540000000, 0.320734430000000 ] mass: 69.723000 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.672210780000000, 0.044413070000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.178032640000000, 0.048543110000000, 0.842870910000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.178032640000000, 0.048543110000000, 0.157129090000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.642591810000000, 0.049700620000000, 0.663277970000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.642591810000000, 0.049700620000000, 0.336722030000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.172907750000000, 0.054417480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.008579040000000, 0.153433580000000, 0.323324110000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.008579040000000, 0.153433580000000, 0.676675890000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.936861060000000, 0.199972090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.526606460000000, 0.215868220000000, 0.237631600000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.526606460000000, 0.215868220000000, 0.762368400000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.026606460000000, 0.284131780000000, 0.737631600000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.026606460000000, 0.284131780000000, 0.262368400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.436861060000000, 0.300027910000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.508579040000000, 0.346566420000000, 0.823324110000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.508579040000000, 0.346566420000000, 0.176675890000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.672907750000000, 0.445582520000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.142591810000000, 0.450299380000000, 0.836722030000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.142591810000000, 0.450299380000000, 0.163277970000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.678032640000000, 0.451456890000000, 0.342870910000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.678032640000000, 0.451456890000000, 0.657129090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.172210780000000, 0.455586930000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.827789220000000, 0.544413070000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.321967360000000, 0.548543110000000, 0.657129090000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.321967360000000, 0.548543110000000, 0.342870910000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.857408190000000, 0.549700620000000, 0.836722030000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.857408190000000, 0.549700620000000, 0.163277970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.327092250000000, 0.554417480000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.491420960000000, 0.653433580000000, 0.176675890000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.491420960000000, 0.653433580000000, 0.823324110000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.563138940000000, 0.699972090000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.973393540000000, 0.715868220000000, 0.262368400000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.973393540000000, 0.715868220000000, 0.737631600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.473393540000000, 0.784131780000000, 0.762368400000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.473393540000000, 0.784131780000000, 0.237631600000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.063138940000000, 0.800027910000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.991420960000000, 0.846566420000000, 0.323324110000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.991420960000000, 0.846566420000000, 0.676675890000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.827092250000000, 0.945582520000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.357408190000000, 0.950299380000000, 0.663277970000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.357408190000000, 0.950299380000000, 0.336722030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.821967360000000, 0.951456890000000, 0.842870910000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.821967360000000, 0.951456890000000, 0.157129090000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.327789220000000, 0.955586930000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 76displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0447423400000000, 0.0066152500000000, 0.0000000000000000 ] - [ -0.0011319300000000, -0.0003100000000000, 0.0000000000000000 ] - [ 0.0004171400000000, -0.0009204000000000, 0.0000000000000000 ] - [ 0.0001912500000000, -0.0002721700000000, 0.0000000000000000 ] - [ -0.0000751100000000, 0.0001163800000000, 0.0000000000000000 ] - [ -0.0000560000000000, 0.0001529900000000, 0.0000000000000000 ] - [ -0.0001181100000000, -0.0001043600000000, 0.0000000000000000 ] - [ -0.0002066300000000, -0.0003512600000000, 0.0000000000000000 ] - [ 0.0071886300000000, 0.0038320600000000, 0.0000000000000000 ] - [ -0.0052254900000000, -0.0025847200000000, -0.0041377900000000 ] - [ -0.0014347900000000, -0.0001608800000000, 0.0000000000000000 ] - [ -0.0052254900000000, -0.0025847200000000, 0.0041377900000000 ] - [ 0.0041940700000000, 0.0021507200000000, 0.0026490100000000 ] - [ 0.0041940700000000, 0.0021507200000000, -0.0026490100000000 ] - [ 0.0131307000000000, -0.0006589100000000, -0.0007952300000000 ] - [ 0.0131307000000000, -0.0006589100000000, 0.0007952300000000 ] - [ -0.0021029700000000, 0.0009154900000000, -0.0001225300000000 ] - [ -0.0021029700000000, 0.0009154900000000, 0.0001225300000000 ] - [ -0.0005034200000000, 0.0001698700000000, -0.0001144800000000 ] - [ -0.0005034200000000, 0.0001698700000000, 0.0001144800000000 ] - [ 0.0000127900000000, -0.0000510200000000, 0.0000000000000000 ] - [ 0.0000111900000000, -0.0000338800000000, 0.0007471200000000 ] - [ 0.0000111900000000, -0.0000338800000000, -0.0007471200000000 ] - [ -0.0000057600000000, -0.0000185400000000, 0.0000000000000000 ] - [ 0.0005011700000000, -0.0001149600000000, 0.0001268200000000 ] - [ 0.0005011700000000, -0.0001149600000000, -0.0001268200000000 ] - [ 0.0006564100000000, -0.0001007600000000, -0.0001728000000000 ] - [ 0.0006564100000000, -0.0001007600000000, 0.0001728000000000 ] - [ 0.0006874200000000, 0.0000219800000000, 0.0001691100000000 ] - [ 0.0006874200000000, 0.0000219800000000, -0.0001691100000000 ] - [ 0.0010732700000000, 0.0005191200000000, -0.0001358000000000 ] - [ 0.0010732700000000, 0.0005191200000000, 0.0001358000000000 ] - [ 0.0054684500000000, -0.0069395300000000, 0.0000000000000000 ] - [ 0.0028439300000000, 0.0013594400000000, 0.0024476300000000 ] - [ 0.0028439300000000, 0.0013594400000000, -0.0024476300000000 ] - [ -0.0007494400000000, 0.0002574600000000, 0.0013576500000000 ] - [ -0.0007494400000000, 0.0002574600000000, -0.0013576500000000 ] - [ 0.0004155300000000, -0.0008280600000000, 0.0000000000000000 ] - [ -0.0035730300000000, 0.0004559900000000, 0.0025800000000000 ] - [ -0.0035730300000000, 0.0004559900000000, -0.0025800000000000 ] - [ 0.0072751100000000, -0.0077644500000000, 0.0000000000000000 ] - [ 0.0006279900000000, 0.0004568200000000, 0.0005183600000000 ] - [ 0.0006279900000000, 0.0004568200000000, -0.0005183600000000 ] - [ 0.0002063900000000, 0.0002297600000000, -0.0005155200000000 ] - [ 0.0002063900000000, 0.0002297600000000, 0.0005155200000000 ] - [ -0.0004091500000000, -0.0005018900000000, 0.0000000000000000 ] - [ -0.0003074400000000, -0.0006830700000000, -0.0001063400000000 ] - [ -0.0003074400000000, -0.0006830700000000, 0.0001063400000000 ] - [ -0.0001515300000000, 0.0003245400000000, 0.0000000000000000 ] - [ -0.0004126900000000, 0.0003107300000000, 0.0000892600000000 ] - [ -0.0004126900000000, 0.0003107300000000, -0.0000892600000000 ] - [ -0.0002299000000000, 0.0000292700000000, -0.0000570300000000 ] - [ -0.0002299000000000, 0.0000292700000000, 0.0000570300000000 ] - [ -0.0001335100000000, 0.0005633700000000, 0.0000000000000000 ] - [ 0.0001536600000000, -0.0005263100000000, 0.0000000000000000 ] - [ 0.0001976900000000, 0.0000014900000000, 0.0000322000000000 ] - [ 0.0001976900000000, 0.0000014900000000, -0.0000322000000000 ] - [ 0.0004519700000000, -0.0002528300000000, 0.0001189200000000 ] - [ 0.0004519700000000, -0.0002528300000000, -0.0001189200000000 ] - [ 0.0000485000000000, -0.0002786600000000, 0.0000000000000000 ] - [ 0.0003516200000000, 0.0002994300000000, -0.0000209100000000 ] - [ 0.0003516200000000, 0.0002994300000000, 0.0000209100000000 ] - [ 0.0006648800000000, 0.0001119500000000, 0.0000000000000000 ] - [ -0.0000042500000000, 0.0003822700000000, -0.0000246000000000 ] - [ -0.0000042500000000, 0.0003822700000000, 0.0000246000000000 ] - [ -0.0000292800000000, -0.0003338900000000, 0.0000042100000000 ] - [ -0.0000292800000000, -0.0003338900000000, -0.0000042100000000 ] - [ 0.0006690300000000, -0.0000558600000000, 0.0000000000000000 ] - [ 0.0002704300000000, -0.0001313900000000, -0.0000641200000000 ] - [ 0.0002704300000000, -0.0001313900000000, 0.0000641200000000 ] - [ -0.0001369400000000, 0.0004119300000000, 0.0000000000000000 ] - [ 0.0007024900000000, -0.0004267800000000, -0.0003821600000000 ] - [ 0.0007024900000000, -0.0004267800000000, 0.0003821600000000 ] - [ -0.0008857200000000, 0.0010587600000000, 0.0009825400000000 ] - [ -0.0008857200000000, 0.0010587600000000, -0.0009825400000000 ] - [ 0.0023306100000000, 0.0003600700000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0452059700000000, -0.0065257300000000, 0.0000000000000000 ] - [ 0.0012416000000000, 0.0006778900000000, 0.0000000000000000 ] - [ -0.0003144200000000, 0.0005706100000000, 0.0000000000000000 ] - [ -0.0000418500000000, -0.0000188800000000, 0.0000000000000000 ] - [ -0.0000792700000000, 0.0001815700000000, 0.0000000000000000 ] - [ -0.0000477600000000, 0.0002215600000000, 0.0000000000000000 ] - [ 0.0000148700000000, -0.0002661200000000, 0.0000000000000000 ] - [ 0.0000547700000000, 0.0000635500000000, 0.0000000000000000 ] - [ -0.0071805700000000, -0.0038783400000000, 0.0000000000000000 ] - [ 0.0052088000000000, 0.0026144900000000, 0.0026792600000000 ] - [ 0.0014395100000000, 0.0001554100000000, 0.0000000000000000 ] - [ 0.0052088000000000, 0.0026144900000000, -0.0026792600000000 ] - [ -0.0051778800000000, -0.0023718200000000, -0.0024298400000000 ] - [ -0.0051778800000000, -0.0023718200000000, 0.0024298400000000 ] - [ -0.0145098000000000, 0.0006789500000000, 0.0006812400000000 ] - [ -0.0145098000000000, 0.0006789500000000, -0.0006812400000000 ] - [ 0.0007942100000000, -0.0007898900000000, -0.0002010500000000 ] - [ 0.0007942100000000, -0.0007898900000000, 0.0002010500000000 ] - [ -0.0004984500000000, -0.0000097500000000, -0.0001372500000000 ] - [ -0.0004984500000000, -0.0000097500000000, 0.0001372500000000 ] - [ -0.0000119000000000, 0.0000559100000000, 0.0000000000000000 ] - [ -0.0000105600000000, 0.0000374500000000, 0.0007216500000000 ] - [ -0.0000105600000000, 0.0000374500000000, -0.0007216500000000 ] - [ 0.0000047100000000, 0.0000213800000000, 0.0000000000000000 ] - [ 0.0005007000000000, -0.0000427200000000, 0.0001263100000000 ] - [ 0.0005007000000000, -0.0000427200000000, -0.0001263100000000 ] - [ 0.0006782900000000, -0.0000417000000000, -0.0001612100000000 ] - [ 0.0006782900000000, -0.0000417000000000, 0.0001612100000000 ] - [ 0.0006462700000000, 0.0001267700000000, 0.0001660700000000 ] - [ 0.0006462700000000, 0.0001267700000000, -0.0001660700000000 ] - [ -0.0000736300000000, -0.0003549900000000, 0.0003896300000000 ] - [ -0.0000736300000000, -0.0003549900000000, -0.0003896300000000 ] - [ -0.0055919900000000, 0.0054988200000000, 0.0000000000000000 ] - [ -0.0032329900000000, -0.0015009900000000, -0.0025648400000000 ] - [ -0.0032329900000000, -0.0015009900000000, 0.0025648400000000 ] - [ -0.0001697300000000, -0.0007938900000000, -0.0015793200000000 ] - [ -0.0001697300000000, -0.0007938900000000, 0.0015793200000000 ] - [ -0.0005105100000000, 0.0002481000000000, 0.0000000000000000 ] - [ 0.0028375200000000, 0.0001141200000000, -0.0025740500000000 ] - [ 0.0028375200000000, 0.0001141200000000, 0.0025740500000000 ] - [ -0.0090572900000000, 0.0084408200000000, 0.0000000000000000 ] - [ -0.0005525600000000, 0.0002630400000000, -0.0004554800000000 ] - [ -0.0005525600000000, 0.0002630400000000, 0.0004554800000000 ] - [ -0.0001824800000000, -0.0009581700000000, 0.0005797800000000 ] - [ -0.0001824800000000, -0.0009581700000000, -0.0005797800000000 ] - [ -0.0009184000000000, 0.0003017000000000, 0.0000000000000000 ] - [ -0.0003912600000000, 0.0001355800000000, 0.0001564000000000 ] - [ -0.0003912600000000, 0.0001355800000000, -0.0001564000000000 ] - [ 0.0000643300000000, 0.0002692600000000, 0.0000000000000000 ] - [ -0.0005099900000000, 0.0002197200000000, 0.0001455300000000 ] - [ -0.0005099900000000, 0.0002197200000000, -0.0001455300000000 ] - [ -0.0001502000000000, 0.0000131500000000, 0.0000092400000000 ] - [ -0.0001502000000000, 0.0000131500000000, -0.0000092400000000 ] - [ -0.0001814000000000, 0.0005254500000000, 0.0000000000000000 ] - [ 0.0001622400000000, -0.0005658700000000, 0.0000000000000000 ] - [ 0.0001771500000000, -0.0000521800000000, 0.0000077500000000 ] - [ 0.0001771500000000, -0.0000521800000000, -0.0000077500000000 ] - [ 0.0004833100000000, -0.0002840900000000, 0.0001148000000000 ] - [ 0.0004833100000000, -0.0002840900000000, -0.0001148000000000 ] - [ 0.0000297300000000, -0.0003235200000000, 0.0000000000000000 ] - [ 0.0003478100000000, 0.0002681800000000, -0.0000259600000000 ] - [ 0.0003478100000000, 0.0002681800000000, 0.0000259600000000 ] - [ 0.0006584000000000, 0.0000934200000000, 0.0000000000000000 ] - [ -0.0000350200000000, 0.0003166600000000, -0.0000176400000000 ] - [ -0.0000350200000000, 0.0003166600000000, 0.0000176400000000 ] - [ 0.0000054800000000, -0.0003832600000000, -0.0000521000000000 ] - [ 0.0000054800000000, -0.0003832600000000, 0.0000521000000000 ] - [ 0.0006510900000000, -0.0001505600000000, 0.0000000000000000 ] - [ 0.0004262800000000, -0.0004281600000000, 0.0001150200000000 ] - [ 0.0004262800000000, -0.0004281600000000, -0.0001150200000000 ] - [ 0.0002243000000000, 0.0001824300000000, 0.0000000000000000 ] - [ 0.0002296200000000, 0.0009652700000000, 0.0001603800000000 ] - [ 0.0002296200000000, 0.0009652700000000, -0.0001603800000000 ] - [ 0.0012465600000000, -0.0010103200000000, -0.0010377000000000 ] - [ 0.0012465600000000, -0.0010103200000000, 0.0010377000000000 ] - [ -0.0019911300000000, 0.0007582000000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0065728900000000, -0.0889298700000000, 0.0000000000000000 ] - [ -0.0007173200000000, -0.0132923700000000, 0.0000000000000000 ] - [ -0.0003127400000000, 0.0054383400000000, 0.0000000000000000 ] - [ 0.0001976300000000, 0.0036061300000000, 0.0000000000000000 ] - [ -0.0000372800000000, 0.0048522600000000, 0.0000000000000000 ] - [ -0.0001698800000000, 0.0042168800000000, 0.0000000000000000 ] - [ 0.0000606900000000, 0.0033595100000000, 0.0000000000000000 ] - [ -0.0002765400000000, 0.0054872000000000, 0.0000000000000000 ] - [ 0.0010418400000000, 0.0120848400000000, 0.0000000000000000 ] - [ -0.0019066000000000, 0.0127317500000000, 0.0101963000000000 ] - [ 0.0011795200000000, -0.0009533000000000, 0.0000000000000000 ] - [ -0.0019066000000000, 0.0127317500000000, -0.0101963000000000 ] - [ 0.0014484500000000, -0.0146209200000000, 0.0094531800000000 ] - [ 0.0014484500000000, -0.0146209200000000, -0.0094531800000000 ] - [ 0.0035622900000000, -0.0046461100000000, 0.0157585700000000 ] - [ 0.0035622900000000, -0.0046461100000000, -0.0157585700000000 ] - [ -0.0013861400000000, 0.0051083200000000, -0.0038395200000000 ] - [ -0.0013861400000000, 0.0051083200000000, 0.0038395200000000 ] - [ -0.0008060200000000, 0.0045042300000000, -0.0005321400000000 ] - [ -0.0008060200000000, 0.0045042300000000, 0.0005321400000000 ] - [ 0.0005365500000000, 0.0044780100000000, 0.0000000000000000 ] - [ 0.0002855900000000, 0.0036076400000000, 0.0006340200000000 ] - [ 0.0002855900000000, 0.0036076400000000, -0.0006340200000000 ] - [ -0.0005028800000000, 0.0035705900000000, 0.0000000000000000 ] - [ 0.0001933500000000, 0.0041299700000000, -0.0001479400000000 ] - [ 0.0001933500000000, 0.0041299700000000, 0.0001479400000000 ] - [ 0.0009599100000000, 0.0041802400000000, -0.0003612700000000 ] - [ 0.0009599100000000, 0.0041802400000000, 0.0003612700000000 ] - [ 0.0004039800000000, 0.0043094600000000, 0.0001695200000000 ] - [ 0.0004039800000000, 0.0043094600000000, -0.0001695200000000 ] - [ 0.0003482000000000, 0.0037854700000000, 0.0023669200000000 ] - [ 0.0003482000000000, 0.0037854700000000, -0.0023669200000000 ] - [ -0.0118331500000000, 0.0157259900000000, 0.0000000000000000 ] - [ 0.0022789800000000, 0.0106456900000000, -0.0008112500000000 ] - [ 0.0022789800000000, 0.0106456900000000, 0.0008112500000000 ] - [ 0.0008130000000000, 0.0037382500000000, -0.0053852600000000 ] - [ 0.0008130000000000, 0.0037382500000000, 0.0053852600000000 ] - [ -0.0006094800000000, 0.0060484400000000, 0.0000000000000000 ] - [ -0.0016140700000000, 0.0153637000000000, -0.0032042900000000 ] - [ -0.0016140700000000, 0.0153637000000000, 0.0032042900000000 ] - [ -0.0076186300000000, 0.0103939200000000, 0.0000000000000000 ] - [ 0.0002529300000000, 0.0069864300000000, -0.0018634600000000 ] - [ 0.0002529300000000, 0.0069864300000000, 0.0018634600000000 ] - [ 0.0000202000000000, -0.0012844200000000, 0.0022715900000000 ] - [ 0.0000202000000000, -0.0012844200000000, -0.0022715900000000 ] - [ -0.0008286300000000, -0.0011892400000000, 0.0000000000000000 ] - [ -0.0005042100000000, -0.0045790000000000, 0.0000357600000000 ] - [ -0.0005042100000000, -0.0045790000000000, -0.0000357600000000 ] - [ -0.0004282100000000, -0.0025056300000000, 0.0000000000000000 ] - [ 0.0002052200000000, -0.0026013600000000, 0.0003784900000000 ] - [ 0.0002052200000000, -0.0026013600000000, -0.0003784900000000 ] - [ -0.0004482100000000, -0.0027232100000000, -0.0006069200000000 ] - [ -0.0004482100000000, -0.0027232100000000, 0.0006069200000000 ] - [ -0.0005177500000000, -0.0021175800000000, 0.0000000000000000 ] - [ -0.0002630000000000, -0.0034210600000000, 0.0000000000000000 ] - [ -0.0000112400000000, -0.0027594300000000, -0.0004010000000000 ] - [ -0.0000112400000000, -0.0027594300000000, 0.0004010000000000 ] - [ 0.0011155500000000, -0.0030804800000000, -0.0000498700000000 ] - [ 0.0011155500000000, -0.0030804800000000, 0.0000498700000000 ] - [ -0.0003747100000000, -0.0029666100000000, 0.0000000000000000 ] - [ 0.0000916000000000, -0.0035998700000000, -0.0006850000000000 ] - [ 0.0000916000000000, -0.0035998700000000, 0.0006850000000000 ] - [ 0.0003578100000000, -0.0022576700000000, 0.0000000000000000 ] - [ -0.0004709200000000, -0.0028558100000000, 0.0002863100000000 ] - [ -0.0004709200000000, -0.0028558100000000, -0.0002863100000000 ] - [ 0.0004101400000000, -0.0036053600000000, -0.0004760900000000 ] - [ 0.0004101400000000, -0.0036053600000000, 0.0004760900000000 ] - [ 0.0010280000000000, -0.0026785700000000, 0.0000000000000000 ] - [ 0.0007219100000000, -0.0039947100000000, -0.0002740400000000 ] - [ 0.0007219100000000, -0.0039947100000000, 0.0002740400000000 ] - [ 0.0003088600000000, -0.0009580800000000, 0.0000000000000000 ] - [ 0.0005150900000000, -0.0012162300000000, -0.0021669800000000 ] - [ 0.0005150900000000, -0.0012162300000000, 0.0021669800000000 ] - [ 0.0003792700000000, -0.0041518000000000, -0.0025822600000000 ] - [ 0.0003792700000000, -0.0041518000000000, 0.0025822600000000 ] - [ -0.0005101400000000, -0.0047370900000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065524000000000, 0.0906851700000000, 0.0000000000000000 ] - [ 0.0008187900000000, 0.0136915700000000, 0.0000000000000000 ] - [ 0.0004064400000000, -0.0058155100000000, 0.0000000000000000 ] - [ -0.0000451800000000, -0.0039143100000000, 0.0000000000000000 ] - [ -0.0001153700000000, -0.0045693100000000, 0.0000000000000000 ] - [ 0.0000686100000000, -0.0038469100000000, 0.0000000000000000 ] - [ -0.0001607400000000, -0.0037410500000000, 0.0000000000000000 ] - [ 0.0001261000000000, -0.0057987800000000, 0.0000000000000000 ] - [ -0.0010798600000000, -0.0121812200000000, 0.0000000000000000 ] - [ 0.0019296600000000, -0.0128776500000000, -0.0117934000000000 ] - [ -0.0011838100000000, 0.0009704400000000, 0.0000000000000000 ] - [ 0.0019296600000000, -0.0128776500000000, 0.0117934000000000 ] - [ -0.0024507600000000, 0.0145650100000000, -0.0092308700000000 ] - [ -0.0024507600000000, 0.0145650100000000, 0.0092308700000000 ] - [ -0.0048985600000000, 0.0044203800000000, -0.0161064000000000 ] - [ -0.0048985600000000, 0.0044203800000000, 0.0161064000000000 ] - [ 0.0000577300000000, -0.0049764600000000, 0.0034694800000000 ] - [ 0.0000577300000000, -0.0049764600000000, -0.0034694800000000 ] - [ -0.0001920200000000, -0.0043579200000000, 0.0002850900000000 ] - [ -0.0001920200000000, -0.0043579200000000, -0.0002850900000000 ] - [ -0.0005387900000000, -0.0044899300000000, 0.0000000000000000 ] - [ -0.0002868800000000, -0.0036172400000000, 0.0008234800000000 ] - [ -0.0002868800000000, -0.0036172400000000, -0.0008234800000000 ] - [ 0.0005041200000000, -0.0035809400000000, 0.0000000000000000 ] - [ 0.0008064500000000, -0.0042920100000000, 0.0003966500000000 ] - [ 0.0008064500000000, -0.0042920100000000, -0.0003966500000000 ] - [ 0.0003751700000000, -0.0043316800000000, 0.0000317400000000 ] - [ 0.0003751700000000, -0.0043316800000000, -0.0000317400000000 ] - [ 0.0009341900000000, -0.0041779700000000, 0.0001589000000000 ] - [ 0.0009341900000000, -0.0041779700000000, -0.0001589000000000 ] - [ 0.0006504300000000, -0.0036335700000000, -0.0021326800000000 ] - [ 0.0006504300000000, -0.0036335700000000, 0.0021326800000000 ] - [ 0.0121280800000000, -0.0176443400000000, 0.0000000000000000 ] - [ -0.0028499000000000, -0.0111040300000000, 0.0005433800000000 ] - [ -0.0028499000000000, -0.0111040300000000, -0.0005433800000000 ] - [ -0.0017670500000000, -0.0042971400000000, 0.0051929200000000 ] - [ -0.0017670500000000, -0.0042971400000000, -0.0051929200000000 ] - [ 0.0005370800000000, -0.0066652600000000, 0.0000000000000000 ] - [ 0.0009025900000000, -0.0148244500000000, 0.0032955600000000 ] - [ 0.0009025900000000, -0.0148244500000000, -0.0032955600000000 ] - [ 0.0061094800000000, -0.0099930600000000, 0.0000000000000000 ] - [ -0.0001540600000000, -0.0060707300000000, 0.0021491100000000 ] - [ -0.0001540600000000, -0.0060707300000000, -0.0021491100000000 ] - [ 0.0000366000000000, 0.0005912100000000, -0.0022233200000000 ] - [ 0.0000366000000000, 0.0005912100000000, 0.0022233200000000 ] - [ -0.0004939000000000, 0.0009987600000000, 0.0000000000000000 ] - [ -0.0001912100000000, 0.0040006300000000, 0.0000214600000000 ] - [ -0.0001912100000000, 0.0040006300000000, -0.0000214600000000 ] - [ 0.0003644600000000, 0.0031017000000000, 0.0000000000000000 ] - [ -0.0011593600000000, 0.0031327500000000, -0.0001524700000000 ] - [ -0.0011593600000000, 0.0031327500000000, 0.0001524700000000 ] - [ 0.0000893800000000, 0.0027817900000000, 0.0005910500000000 ] - [ 0.0000893800000000, 0.0027817900000000, -0.0005910500000000 ] - [ 0.0001892100000000, 0.0032355300000000, 0.0000000000000000 ] - [ 0.0005949300000000, 0.0023228400000000, 0.0000000000000000 ] - [ 0.0003814900000000, 0.0027201200000000, 0.0004355000000000 ] - [ 0.0003814900000000, 0.0027201200000000, -0.0004355000000000 ] - [ -0.0001854300000000, 0.0025687800000000, 0.0002755600000000 ] - [ -0.0001854300000000, 0.0025687800000000, -0.0002755600000000 ] - [ 0.0004640400000000, 0.0023917300000000, 0.0000000000000000 ] - [ 0.0006046600000000, 0.0041682200000000, 0.0006355100000000 ] - [ 0.0006046600000000, 0.0041682200000000, -0.0006355100000000 ] - [ 0.0009579700000000, 0.0024667200000000, 0.0000000000000000 ] - [ 0.0004439700000000, 0.0035976800000000, -0.0003407800000000 ] - [ 0.0004439700000000, 0.0035976800000000, 0.0003407800000000 ] - [ -0.0004649600000000, 0.0028985000000000, 0.0004338500000000 ] - [ -0.0004649600000000, 0.0028985000000000, -0.0004338500000000 ] - [ 0.0002910500000000, 0.0024765000000000, 0.0000000000000000 ] - [ -0.0000213800000000, 0.0034152600000000, 0.0003113900000000 ] - [ -0.0000213800000000, 0.0034152600000000, -0.0003113900000000 ] - [ -0.0002324900000000, 0.0015393500000000, 0.0000000000000000 ] - [ 0.0004297300000000, 0.0017340200000000, 0.0019567100000000 ] - [ 0.0004297300000000, 0.0017340200000000, -0.0019567100000000 ] - [ -0.0000258000000000, 0.0042074200000000, 0.0025689800000000 ] - [ -0.0000258000000000, 0.0042074200000000, -0.0025689800000000 ] - [ 0.0008527800000000, 0.0058784800000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000035100000000, -0.0000419700000000, -0.0392187200000000 ] - [ 0.0000578900000000, 0.0001904700000000, 0.0182059300000000 ] - [ 0.0000540000000000, -0.0001930700000000, -0.0026462700000000 ] - [ 0.0000749600000000, -0.0001465300000000, 0.0017377600000000 ] - [ -0.0000755900000000, 0.0001535100000000, 0.0000347600000000 ] - [ -0.0000540500000000, 0.0001886200000000, -0.0000408400000000 ] - [ -0.0000538500000000, -0.0001873000000000, 0.0004600300000000 ] - [ -0.0000756600000000, -0.0001458800000000, -0.0004806700000000 ] - [ -0.0000066100000000, 0.0000253800000000, -0.0087752500000000 ] - [ -0.0030129300000000, 0.0082276600000000, -0.0028172300000000 ] - [ -0.0000029700000000, -0.0000178600000000, 0.0059237700000000 ] - [ 0.0030184900000000, -0.0082284100000000, -0.0014296200000000 ] - [ 0.0011551700000000, 0.0066056600000000, 0.0088556400000000 ] - [ -0.0021764500000000, -0.0068343800000000, 0.0085914900000000 ] - [ 0.0023562000000000, 0.0090501500000000, -0.0024309700000000 ] - [ -0.0036694800000000, -0.0091529400000000, -0.0019929100000000 ] - [ 0.0002609300000000, -0.0069367700000000, 0.0041868600000000 ] - [ -0.0015926500000000, 0.0071145300000000, 0.0045278900000000 ] - [ -0.0005534300000000, -0.0011321700000000, -0.0003167700000000 ] - [ -0.0004512000000000, 0.0012888200000000, -0.0000687900000000 ] - [ -0.0000004200000000, 0.0000010800000000, -0.0002860700000000 ] - [ -0.0000541900000000, -0.0001441500000000, 0.0008733200000000 ] - [ 0.0000546300000000, 0.0001470400000000, -0.0005902700000000 ] - [ 0.0000001700000000, 0.0000013600000000, 0.0002513400000000 ] - [ 0.0004869200000000, -0.0000409400000000, 0.0000930100000000 ] - [ 0.0005182800000000, -0.0001058000000000, -0.0001573400000000 ] - [ 0.0006804000000000, -0.0000385100000000, -0.0001366800000000 ] - [ 0.0006551800000000, -0.0001001600000000, 0.0001982100000000 ] - [ 0.0006095800000000, 0.0002277500000000, 0.0000240000000000 ] - [ 0.0007257600000000, -0.0000797300000000, -0.0003118800000000 ] - [ 0.0009236700000000, 0.0013292800000000, 0.0010573800000000 ] - [ 0.0000773700000000, -0.0011757000000000, 0.0007941800000000 ] - [ -0.0001893700000000, -0.0005290800000000, 0.0048350800000000 ] - [ 0.0015118200000000, -0.0001391900000000, 0.0056226300000000 ] - [ -0.0019647900000000, -0.0000593700000000, 0.0057660600000000 ] - [ -0.0007751000000000, -0.0043488600000000, -0.0045266600000000 ] - [ -0.0001578100000000, 0.0038756200000000, -0.0042954500000000 ] - [ -0.0000463000000000, -0.0002777600000000, -0.0057679900000000 ] - [ 0.0021551700000000, 0.0003687000000000, -0.0064958400000000 ] - [ -0.0028293700000000, 0.0001981000000000, -0.0065747000000000 ] - [ -0.0006002700000000, 0.0000940700000000, 0.0104879300000000 ] - [ 0.0014759100000000, 0.0027213300000000, 0.0051769300000000 ] - [ -0.0013357600000000, -0.0017426100000000, 0.0048211500000000 ] - [ 0.0003824100000000, 0.0027137800000000, -0.0001125000000000 ] - [ -0.0003520100000000, -0.0034328700000000, -0.0001494900000000 ] - [ -0.0006584700000000, -0.0001029700000000, -0.0050070700000000 ] - [ -0.0001071600000000, 0.0023954900000000, 0.0006501800000000 ] - [ -0.0005858600000000, -0.0029550800000000, 0.0005956600000000 ] - [ -0.0000467200000000, 0.0002886800000000, 0.0005930500000000 ] - [ -0.0007021600000000, 0.0006014600000000, 0.0002581500000000 ] - [ -0.0002244300000000, -0.0000819800000000, 0.0000416300000000 ] - [ -0.0003258600000000, -0.0002631200000000, -0.0002953600000000 ] - [ -0.0000392500000000, 0.0003105000000000, -0.0002646500000000 ] - [ -0.0001661100000000, 0.0005514800000000, -0.0001707100000000 ] - [ 0.0001663600000000, -0.0005545800000000, -0.0001214600000000 ] - [ 0.0001772300000000, 0.0000142200000000, -0.0000038600000000 ] - [ 0.0001931200000000, -0.0000641400000000, -0.0000429600000000 ] - [ 0.0004041300000000, -0.0001910200000000, 0.0001442800000000 ] - [ 0.0005138600000000, -0.0003300100000000, -0.0000713500000000 ] - [ 0.0000507900000000, -0.0002882700000000, 0.0000551900000000 ] - [ 0.0003538900000000, 0.0002767400000000, -0.0000206600000000 ] - [ 0.0003372000000000, 0.0002656900000000, 0.0000375000000000 ] - [ 0.0006566500000000, 0.0000989500000000, -0.0000338300000000 ] - [ -0.0000106500000000, 0.0004055600000000, -0.0000160200000000 ] - [ -0.0000207700000000, 0.0002973100000000, 0.0000313500000000 ] - [ 0.0000084200000000, -0.0003865000000000, -0.0000108300000000 ] - [ -0.0000385500000000, -0.0003239100000000, 0.0000383400000000 ] - [ 0.0006575000000000, -0.0001019700000000, 0.0001307200000000 ] - [ 0.0004343100000000, 0.0000759200000000, -0.0000650100000000 ] - [ 0.0002592700000000, -0.0006317900000000, -0.0001234700000000 ] - [ 0.0000451500000000, 0.0002938200000000, -0.0014812300000000 ] - [ -0.0000405800000000, -0.0014100400000000, -0.0012227400000000 ] - [ 0.0009728700000000, 0.0019371400000000, -0.0009925500000000 ] - [ -0.0005071900000000, -0.0011788500000000, 0.0006149600000000 ] - [ 0.0008741300000000, 0.0012141500000000, 0.0006654700000000 ] - [ 0.0001607200000000, 0.0005462000000000, 0.0031848500000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011025700000000, -0.0006081300000000, 0.0000000000000000 ] - [ -0.0374799400000000, -0.0106549400000000, 0.0000000000000000 ] - [ 0.0000912800000000, -0.0002522000000000, 0.0000000000000000 ] - [ 0.0004306300000000, 0.0002159900000000, 0.0000000000000000 ] - [ -0.0000747700000000, 0.0002661700000000, 0.0000000000000000 ] - [ -0.0000546500000000, 0.0002875800000000, 0.0000000000000000 ] - [ -0.0000789100000000, -0.0000650300000000, 0.0000000000000000 ] - [ -0.0001349900000000, -0.0000404700000000, 0.0000000000000000 ] - [ 0.0007299700000000, 0.0005558000000000, 0.0000000000000000 ] - [ -0.0012242200000000, -0.0006531400000000, 0.0000764700000000 ] - [ -0.0046247200000000, -0.0004184000000000, 0.0000000000000000 ] - [ -0.0012242200000000, -0.0006531400000000, -0.0000764700000000 ] - [ 0.0135001400000000, 0.0019717900000000, -0.0027398800000000 ] - [ 0.0135001400000000, 0.0019717900000000, 0.0027398800000000 ] - [ 0.0051161800000000, 0.0003884200000000, -0.0037160300000000 ] - [ 0.0051161800000000, 0.0003884200000000, 0.0037160300000000 ] - [ -0.0031742800000000, -0.0006918300000000, -0.0012739700000000 ] - [ -0.0031742800000000, -0.0006918300000000, 0.0012739700000000 ] - [ -0.0005162800000000, 0.0002313100000000, -0.0001254500000000 ] - [ -0.0005162800000000, 0.0002313100000000, 0.0001254500000000 ] - [ 0.0000239800000000, 0.0000932100000000, 0.0000000000000000 ] - [ 0.0000134900000000, 0.0000833600000000, 0.0007411700000000 ] - [ 0.0000134900000000, 0.0000833600000000, -0.0007411700000000 ] - [ -0.0000107900000000, 0.0000956600000000, 0.0000000000000000 ] - [ 0.0004900700000000, 0.0000239600000000, 0.0001147700000000 ] - [ 0.0004900700000000, 0.0000239600000000, -0.0001147700000000 ] - [ 0.0006713200000000, 0.0000369900000000, -0.0001710500000000 ] - [ 0.0006713200000000, 0.0000369900000000, 0.0001710500000000 ] - [ 0.0006753300000000, 0.0001654700000000, 0.0001667500000000 ] - [ 0.0006753300000000, 0.0001654700000000, -0.0001667500000000 ] - [ 0.0008030700000000, 0.0004234200000000, 0.0000076000000000 ] - [ 0.0008030700000000, 0.0004234200000000, -0.0000076000000000 ] - [ -0.0002916400000000, -0.0004710200000000, 0.0000000000000000 ] - [ -0.0000061300000000, -0.0006167500000000, 0.0007950700000000 ] - [ -0.0000061300000000, -0.0006167500000000, -0.0007950700000000 ] - [ 0.0006462100000000, 0.0002570400000000, -0.0003919500000000 ] - [ 0.0006462100000000, 0.0002570400000000, 0.0003919500000000 ] - [ 0.0048510600000000, 0.0043653300000000, 0.0000000000000000 ] - [ -0.0017377800000000, 0.0013863000000000, 0.0041713000000000 ] - [ -0.0017377800000000, 0.0013863000000000, -0.0041713000000000 ] - [ -0.0009059600000000, 0.0006906000000000, 0.0000000000000000 ] - [ 0.0017536700000000, 0.0006833400000000, 0.0001555600000000 ] - [ 0.0017536700000000, 0.0006833400000000, -0.0001555600000000 ] - [ -0.0002768900000000, 0.0003785900000000, 0.0003201700000000 ] - [ -0.0002768900000000, 0.0003785900000000, -0.0003201700000000 ] - [ 0.0015273000000000, -0.0005551700000000, 0.0000000000000000 ] - [ -0.0003491500000000, -0.0006230800000000, -0.0000059600000000 ] - [ -0.0003491500000000, -0.0006230800000000, 0.0000059600000000 ] - [ -0.0000859500000000, 0.0002209200000000, 0.0000000000000000 ] - [ -0.0004378800000000, 0.0002121000000000, 0.0001073000000000 ] - [ -0.0004378800000000, 0.0002121000000000, -0.0001073000000000 ] - [ -0.0002013500000000, -0.0000500400000000, -0.0000274800000000 ] - [ -0.0002013500000000, -0.0000500400000000, 0.0000274800000000 ] - [ -0.0001783000000000, 0.0004750800000000, 0.0000000000000000 ] - [ 0.0001567900000000, -0.0006281500000000, 0.0000000000000000 ] - [ 0.0001783900000000, -0.0000892200000000, -0.0000015300000000 ] - [ 0.0001783900000000, -0.0000892200000000, 0.0000015300000000 ] - [ 0.0004844700000000, -0.0003274900000000, 0.0001093000000000 ] - [ 0.0004844700000000, -0.0003274900000000, -0.0001093000000000 ] - [ 0.0000316800000000, -0.0003495400000000, 0.0000000000000000 ] - [ 0.0003406500000000, 0.0001892700000000, -0.0000432100000000 ] - [ 0.0003406500000000, 0.0001892700000000, 0.0000432100000000 ] - [ 0.0006498900000000, 0.0000392600000000, 0.0000000000000000 ] - [ -0.0000279200000000, 0.0002855900000000, -0.0000168400000000 ] - [ -0.0000279200000000, 0.0002855900000000, 0.0000168400000000 ] - [ -0.0000130700000000, -0.0004443400000000, -0.0000260300000000 ] - [ -0.0000130700000000, -0.0004443400000000, 0.0000260300000000 ] - [ 0.0006679500000000, -0.0001582900000000, 0.0000000000000000 ] - [ 0.0003398000000000, -0.0003291800000000, 0.0000203800000000 ] - [ 0.0003398000000000, -0.0003291800000000, -0.0000203800000000 ] - [ -0.0004232300000000, 0.0004128700000000, 0.0000000000000000 ] - [ 0.0010100300000000, -0.0000161000000000, 0.0002910200000000 ] - [ 0.0010100300000000, -0.0000161000000000, -0.0002910200000000 ] - [ -0.0000963900000000, 0.0002289600000000, -0.0001554800000000 ] - [ -0.0000963900000000, 0.0002289600000000, 0.0001554800000000 ] - [ 0.0003629100000000, 0.0002733700000000, 0.0000000000000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012840700000000, 0.0009340300000000, 0.0000000000000000 ] - [ 0.0384495600000000, 0.0116023900000000, 0.0000000000000000 ] - [ 0.0000110400000000, -0.0001201800000000, 0.0000000000000000 ] - [ -0.0002878100000000, -0.0005102700000000, 0.0000000000000000 ] - [ -0.0000770800000000, 0.0000292600000000, 0.0000000000000000 ] - [ -0.0000527200000000, 0.0000855700000000, 0.0000000000000000 ] - [ -0.0000278800000000, -0.0003168600000000, 0.0000000000000000 ] - [ -0.0000139100000000, -0.0002663500000000, 0.0000000000000000 ] - [ -0.0007417500000000, -0.0005684700000000, 0.0000000000000000 ] - [ 0.0012406800000000, 0.0006542800000000, -0.0015487700000000 ] - [ 0.0046516300000000, 0.0004513100000000, 0.0000000000000000 ] - [ 0.0012406800000000, 0.0006542800000000, 0.0015487700000000 ] - [ -0.0145339800000000, -0.0023423400000000, 0.0031212700000000 ] - [ -0.0145339800000000, -0.0023423400000000, -0.0031212700000000 ] - [ -0.0065480600000000, -0.0004354400000000, 0.0032749700000000 ] - [ -0.0065480600000000, -0.0004354400000000, -0.0032749700000000 ] - [ 0.0018924900000000, 0.0007842900000000, 0.0009024800000000 ] - [ 0.0018924900000000, 0.0007842900000000, -0.0009024800000000 ] - [ -0.0004858600000000, -0.0000841600000000, -0.0001240100000000 ] - [ -0.0004858600000000, -0.0000841600000000, 0.0001240100000000 ] - [ -0.0000261300000000, -0.0000977200000000, 0.0000000000000000 ] - [ -0.0000141500000000, -0.0000875100000000, 0.0007198900000000 ] - [ -0.0000141500000000, -0.0000875100000000, -0.0007198900000000 ] - [ 0.0000115700000000, -0.0001005400000000, 0.0000000000000000 ] - [ 0.0005127200000000, -0.0001811700000000, 0.0001339900000000 ] - [ 0.0005127200000000, -0.0001811700000000, -0.0001339900000000 ] - [ 0.0006626200000000, -0.0001822800000000, -0.0001624400000000 ] - [ 0.0006626200000000, -0.0001822800000000, 0.0001624400000000 ] - [ 0.0006605300000000, -0.0000308400000000, 0.0001677100000000 ] - [ 0.0006605300000000, -0.0000308400000000, -0.0001677100000000 ] - [ 0.0001956600000000, -0.0002742900000000, 0.0002395400000000 ] - [ 0.0001956600000000, -0.0002742900000000, -0.0002395400000000 ] - [ -0.0000388500000000, -0.0006392300000000, 0.0000000000000000 ] - [ -0.0003756600000000, 0.0005873300000000, -0.0008430700000000 ] - [ -0.0003756600000000, 0.0005873300000000, 0.0008430700000000 ] - [ -0.0015472600000000, -0.0008188800000000, 0.0002019300000000 ] - [ -0.0015472600000000, -0.0008188800000000, -0.0002019300000000 ] - [ -0.0051151900000000, -0.0051567300000000, 0.0000000000000000 ] - [ 0.0007285000000000, -0.0008487200000000, -0.0043605300000000 ] - [ 0.0007285000000000, -0.0008487200000000, 0.0043605300000000 ] - [ -0.0003863200000000, -0.0005134200000000, 0.0000000000000000 ] - [ -0.0017130500000000, 0.0000306500000000, -0.0001348900000000 ] - [ -0.0017130500000000, 0.0000306500000000, 0.0001348900000000 ] - [ 0.0002973400000000, -0.0011173300000000, -0.0002824800000000 ] - [ 0.0002973400000000, -0.0011173300000000, 0.0002824800000000 ] - [ -0.0028499100000000, 0.0004050700000000, 0.0000000000000000 ] - [ -0.0003437400000000, 0.0000739300000000, 0.0000682300000000 ] - [ -0.0003437400000000, 0.0000739300000000, -0.0000682300000000 ] - [ 0.0000099100000000, 0.0003646000000000, 0.0000000000000000 ] - [ -0.0005003900000000, 0.0003151800000000, 0.0001195300000000 ] - [ -0.0005003900000000, 0.0003151800000000, -0.0001195300000000 ] - [ -0.0001597000000000, 0.0001020900000000, 0.0000036500000000 ] - [ -0.0001597000000000, 0.0001020900000000, -0.0000036500000000 ] - [ -0.0001539100000000, 0.0006330300000000, 0.0000000000000000 ] - [ 0.0001755400000000, -0.0004713600000000, 0.0000000000000000 ] - [ 0.0001876800000000, 0.0000458400000000, 0.0000323100000000 ] - [ 0.0001876800000000, 0.0000458400000000, -0.0000323100000000 ] - [ 0.0004452200000000, -0.0001925300000000, 0.0001166600000000 ] - [ 0.0004452200000000, -0.0001925300000000, -0.0001166600000000 ] - [ 0.0000527400000000, -0.0002276000000000, 0.0000000000000000 ] - [ 0.0003508900000000, 0.0003712100000000, -0.0000135600000000 ] - [ 0.0003508900000000, 0.0003712100000000, 0.0000135600000000 ] - [ 0.0006653100000000, 0.0001655100000000, 0.0000000000000000 ] - [ -0.0000017400000000, 0.0004214200000000, -0.0000300700000000 ] - [ -0.0000017400000000, 0.0004214200000000, 0.0000300700000000 ] - [ -0.0000154600000000, -0.0002582400000000, -0.0000208500000000 ] - [ -0.0000154600000000, -0.0002582400000000, 0.0000208500000000 ] - [ 0.0006465000000000, -0.0000414900000000, 0.0000000000000000 ] - [ 0.0003515700000000, -0.0002235800000000, 0.0000372700000000 ] - [ 0.0003515700000000, -0.0002235800000000, -0.0000372700000000 ] - [ 0.0005089700000000, 0.0001634300000000, 0.0000000000000000 ] - [ -0.0000808100000000, 0.0005453800000000, -0.0005122300000000 ] - [ -0.0000808100000000, 0.0005453800000000, 0.0005122300000000 ] - [ 0.0004634800000000, -0.0001801800000000, 0.0001307600000000 ] - [ 0.0004634800000000, -0.0001801800000000, -0.0001307600000000 ] - [ -0.0000344100000000, 0.0008478100000000, 0.0000000000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004195900000000, -0.0133241700000000, 0.0000000000000000 ] - [ -0.0109589800000000, -0.0701258800000000, 0.0000000000000000 ] - [ 0.0001166000000000, 0.0011828700000000, 0.0000000000000000 ] - [ 0.0008215800000000, 0.0054922900000000, 0.0000000000000000 ] - [ -0.0000402700000000, 0.0041751000000000, 0.0000000000000000 ] - [ -0.0001513000000000, 0.0035359900000000, 0.0000000000000000 ] - [ 0.0000759000000000, 0.0035304400000000, 0.0000000000000000 ] - [ 0.0000067600000000, 0.0034064500000000, 0.0000000000000000 ] - [ 0.0002339300000000, 0.0003961500000000, 0.0000000000000000 ] - [ 0.0012447700000000, 0.0028941100000000, -0.0053610200000000 ] - [ -0.0013104900000000, 0.0182341000000000, 0.0000000000000000 ] - [ 0.0012447700000000, 0.0028941100000000, 0.0053610200000000 ] - [ 0.0007754800000000, -0.0077167900000000, -0.0119192700000000 ] - [ 0.0007754800000000, -0.0077167900000000, 0.0119192700000000 ] - [ 0.0051936700000000, -0.0089648300000000, -0.0041656600000000 ] - [ 0.0051936700000000, -0.0089648300000000, 0.0041656600000000 ] - [ -0.0025479500000000, 0.0084605400000000, 0.0112787400000000 ] - [ -0.0025479500000000, 0.0084605400000000, -0.0112787400000000 ] - [ -0.0007798600000000, 0.0034629300000000, -0.0000380800000000 ] - [ -0.0007798600000000, 0.0034629300000000, 0.0000380800000000 ] - [ 0.0003967700000000, 0.0035253100000000, 0.0000000000000000 ] - [ 0.0002376300000000, 0.0031459700000000, 0.0010018000000000 ] - [ 0.0002376300000000, 0.0031459700000000, -0.0010018000000000 ] - [ -0.0002689000000000, 0.0032702000000000, 0.0000000000000000 ] - [ 0.0002616800000000, 0.0034525800000000, -0.0001944300000000 ] - [ 0.0002616800000000, 0.0034525800000000, 0.0001944300000000 ] - [ 0.0009258300000000, 0.0035329000000000, -0.0003692700000000 ] - [ 0.0009258300000000, 0.0035329000000000, 0.0003692700000000 ] - [ 0.0003944600000000, 0.0036879800000000, -0.0001571400000000 ] - [ 0.0003944600000000, 0.0036879800000000, 0.0001571400000000 ] - [ 0.0008561300000000, 0.0040058700000000, -0.0008890000000000 ] - [ 0.0008561300000000, 0.0040058700000000, 0.0008890000000000 ] - [ -0.0009701200000000, 0.0021504900000000, 0.0000000000000000 ] - [ -0.0006153600000000, 0.0026276100000000, 0.0031117500000000 ] - [ -0.0006153600000000, 0.0026276100000000, -0.0031117500000000 ] - [ 0.0003539600000000, 0.0024291100000000, 0.0028171500000000 ] - [ 0.0003539600000000, 0.0024291100000000, -0.0028171500000000 ] - [ 0.0041354000000000, 0.0121074600000000, 0.0000000000000000 ] - [ -0.0018343400000000, 0.0171416100000000, -0.0025606800000000 ] - [ -0.0018343400000000, 0.0171416100000000, 0.0025606800000000 ] - [ -0.0026347900000000, 0.0047297900000000, 0.0000000000000000 ] - [ -0.0012840600000000, 0.0107460400000000, -0.0025705700000000 ] - [ -0.0012840600000000, 0.0107460400000000, 0.0025705700000000 ] - [ 0.0009910500000000, 0.0011594300000000, -0.0029054200000000 ] - [ 0.0009910500000000, 0.0011594300000000, 0.0029054200000000 ] - [ -0.0001282000000000, -0.0073021400000000, 0.0000000000000000 ] - [ -0.0006505500000000, -0.0031173200000000, -0.0015214000000000 ] - [ -0.0006505500000000, -0.0031173200000000, 0.0015214000000000 ] - [ -0.0005193800000000, -0.0017188200000000, 0.0000000000000000 ] - [ 0.0000560900000000, -0.0018684400000000, 0.0000791500000000 ] - [ 0.0000560900000000, -0.0018684400000000, -0.0000791500000000 ] - [ -0.0003320400000000, -0.0023782600000000, -0.0001192600000000 ] - [ -0.0003320400000000, -0.0023782600000000, 0.0001192600000000 ] - [ -0.0005611600000000, -0.0023948500000000, 0.0000000000000000 ] - [ -0.0001138000000000, -0.0030662700000000, 0.0000000000000000 ] - [ 0.0000098100000000, -0.0024124500000000, -0.0004637800000000 ] - [ 0.0000098100000000, -0.0024124500000000, 0.0004637800000000 ] - [ 0.0009861000000000, -0.0025869400000000, -0.0001045700000000 ] - [ 0.0009861000000000, -0.0025869400000000, 0.0001045700000000 ] - [ -0.0003107900000000, -0.0024791800000000, 0.0000000000000000 ] - [ 0.0001222400000000, -0.0029894100000000, -0.0005748800000000 ] - [ 0.0001222400000000, -0.0029894100000000, 0.0005748800000000 ] - [ 0.0004032300000000, -0.0019392200000000, 0.0000000000000000 ] - [ -0.0003933100000000, -0.0023861400000000, 0.0002002200000000 ] - [ -0.0003933100000000, -0.0023861400000000, -0.0002002200000000 ] - [ 0.0003661800000000, -0.0031010900000000, -0.0001627200000000 ] - [ 0.0003661800000000, -0.0031010900000000, 0.0001627200000000 ] - [ 0.0008687200000000, -0.0020171100000000, 0.0000000000000000 ] - [ 0.0005257600000000, -0.0036928300000000, -0.0007677900000000 ] - [ 0.0005257600000000, -0.0036928300000000, 0.0007677900000000 ] - [ 0.0006909100000000, -0.0031596500000000, 0.0000000000000000 ] - [ -0.0004709400000000, -0.0027697600000000, 0.0009641200000000 ] - [ -0.0004709400000000, -0.0027697600000000, -0.0009641200000000 ] - [ 0.0006259300000000, -0.0017510900000000, 0.0009847200000000 ] - [ 0.0006259300000000, -0.0017510900000000, -0.0009847200000000 ] - [ 0.0006012500000000, -0.0002319900000000, 0.0000000000000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005708800000000, 0.0136611800000000, 0.0000000000000000 ] - [ 0.0112930000000000, 0.0713375500000000, 0.0000000000000000 ] - [ -0.0000189800000000, -0.0015725300000000, 0.0000000000000000 ] - [ -0.0006660400000000, -0.0057683000000000, 0.0000000000000000 ] - [ -0.0001107200000000, -0.0038875100000000, 0.0000000000000000 ] - [ 0.0000533200000000, -0.0031648100000000, 0.0000000000000000 ] - [ -0.0001733200000000, -0.0039083500000000, 0.0000000000000000 ] - [ -0.0001584000000000, -0.0036992700000000, 0.0000000000000000 ] - [ -0.0002352300000000, -0.0003909700000000, 0.0000000000000000 ] - [ -0.0012428700000000, -0.0029031800000000, 0.0039174400000000 ] - [ 0.0013308600000000, -0.0184917800000000, 0.0000000000000000 ] - [ -0.0012428700000000, -0.0029031800000000, -0.0039174400000000 ] - [ -0.0018031900000000, 0.0076741200000000, 0.0122377200000000 ] - [ -0.0018031900000000, 0.0076741200000000, -0.0122377200000000 ] - [ -0.0065379000000000, 0.0087519000000000, 0.0038369200000000 ] - [ -0.0065379000000000, 0.0087519000000000, -0.0038369200000000 ] - [ 0.0012019900000000, -0.0082507300000000, -0.0114711100000000 ] - [ 0.0012019900000000, -0.0082507300000000, 0.0114711100000000 ] - [ -0.0002208400000000, -0.0033163500000000, -0.0002066100000000 ] - [ -0.0002208400000000, -0.0033163500000000, 0.0002066100000000 ] - [ -0.0003977700000000, -0.0035310800000000, 0.0000000000000000 ] - [ -0.0002376000000000, -0.0031480000000000, 0.0004659600000000 ] - [ -0.0002376000000000, -0.0031480000000000, -0.0004659600000000 ] - [ 0.0002704900000000, -0.0032723200000000, 0.0000000000000000 ] - [ 0.0007395700000000, -0.0036099000000000, 0.0004408500000000 ] - [ 0.0007395700000000, -0.0036099000000000, -0.0004408500000000 ] - [ 0.0004092700000000, -0.0036793200000000, 0.0000360700000000 ] - [ 0.0004092700000000, -0.0036793200000000, -0.0000360700000000 ] - [ 0.0009405000000000, -0.0035472200000000, 0.0004924100000000 ] - [ 0.0009405000000000, -0.0035472200000000, -0.0004924100000000 ] - [ 0.0001410800000000, -0.0038558100000000, 0.0011438900000000 ] - [ 0.0001410800000000, -0.0038558100000000, -0.0011438900000000 ] - [ 0.0006442800000000, -0.0032750300000000, 0.0000000000000000 ] - [ 0.0002613300000000, -0.0027044800000000, -0.0031497900000000 ] - [ 0.0002613300000000, -0.0027044800000000, 0.0031497900000000 ] - [ -0.0012432600000000, -0.0032220900000000, -0.0029159800000000 ] - [ -0.0012432600000000, -0.0032220900000000, 0.0029159800000000 ] - [ -0.0045921300000000, -0.0132839200000000, 0.0000000000000000 ] - [ 0.0011440800000000, -0.0166233100000000, 0.0025999300000000 ] - [ 0.0011440800000000, -0.0166233100000000, -0.0025999300000000 ] - [ 0.0013219900000000, -0.0045175700000000, 0.0000000000000000 ] - [ 0.0013427400000000, -0.0098663200000000, 0.0023796200000000 ] - [ 0.0013427400000000, -0.0098663200000000, -0.0023796200000000 ] - [ -0.0009401400000000, -0.0018516300000000, 0.0029272900000000 ] - [ -0.0009401400000000, -0.0018516300000000, -0.0029272900000000 ] - [ -0.0011877500000000, 0.0071442900000000, 0.0000000000000000 ] - [ -0.0000487200000000, 0.0025570400000000, 0.0015578100000000 ] - [ -0.0000487200000000, 0.0025570400000000, -0.0015578100000000 ] - [ 0.0004386100000000, 0.0023121100000000, 0.0000000000000000 ] - [ -0.0009964300000000, 0.0024007400000000, 0.0001438100000000 ] - [ -0.0009964300000000, 0.0024007400000000, -0.0001438100000000 ] - [ -0.0000303700000000, 0.0024333500000000, 0.0000982000000000 ] - [ -0.0000303700000000, 0.0024333500000000, -0.0000982000000000 ] - [ 0.0002338200000000, 0.0034996900000000, 0.0000000000000000 ] - [ 0.0004435600000000, 0.0019639800000000, 0.0000000000000000 ] - [ 0.0003533500000000, 0.0023624800000000, 0.0004884500000000 ] - [ 0.0003533500000000, 0.0023624800000000, -0.0004884500000000 ] - [ -0.0000484600000000, 0.0020627700000000, 0.0003279500000000 ] - [ -0.0000484600000000, 0.0020627700000000, -0.0003279500000000 ] - [ 0.0003930800000000, 0.0018938200000000, 0.0000000000000000 ] - [ 0.0005731300000000, 0.0035585100000000, 0.0005263300000000 ] - [ 0.0005731300000000, 0.0035585100000000, -0.0005263300000000 ] - [ 0.0009163000000000, 0.0021434000000000, 0.0000000000000000 ] - [ 0.0003572100000000, 0.0031052500000000, -0.0002491400000000 ] - [ 0.0003572100000000, 0.0031052500000000, 0.0002491400000000 ] - [ -0.0004039100000000, 0.0023909600000000, 0.0001146000000000 ] - [ -0.0004039100000000, 0.0023909600000000, -0.0001146000000000 ] - [ 0.0004515600000000, 0.0018149700000000, 0.0000000000000000 ] - [ 0.0001726100000000, 0.0031329700000000, 0.0008142800000000 ] - [ 0.0001726100000000, 0.0031329700000000, -0.0008142800000000 ] - [ -0.0006137200000000, 0.0037534400000000, 0.0000000000000000 ] - [ 0.0014095000000000, 0.0033028700000000, -0.0011956700000000 ] - [ 0.0014095000000000, 0.0033028700000000, 0.0011956700000000 ] - [ -0.0002597100000000, 0.0017968800000000, -0.0010164400000000 ] - [ -0.0002597100000000, 0.0017968800000000, 0.0010164400000000 ] - [ -0.0002736200000000, 0.0013360200000000, 0.0000000000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000667500000000, 0.0001190400000000, 0.0182037500000000 ] - [ 0.0000736800000000, -0.0002375800000000, -0.0694010800000000 ] - [ 0.0000488300000000, -0.0001824900000000, 0.0037806200000000 ] - [ 0.0000753700000000, -0.0001447300000000, -0.0026468100000000 ] - [ -0.0000772600000000, 0.0001513000000000, -0.0000407000000000 ] - [ -0.0000508200000000, 0.0001908900000000, 0.0000495900000000 ] - [ -0.0000506500000000, -0.0001825000000000, -0.0004460800000000 ] - [ -0.0000753100000000, -0.0001432600000000, 0.0004610700000000 ] - [ -0.0000040000000000, -0.0000114000000000, 0.0049597300000000 ] - [ 0.0000359300000000, -0.0038527700000000, 0.0034402100000000 ] - [ -0.0000111100000000, 0.0000423000000000, -0.0091641900000000 ] - [ -0.0000200700000000, 0.0038372800000000, 0.0049281600000000 ] - [ -0.0000453400000000, -0.0151591900000000, -0.0010579500000000 ] - [ -0.0009748000000000, 0.0149489000000000, -0.0011929100000000 ] - [ -0.0070242400000000, -0.0076544200000000, 0.0146356400000000 ] - [ 0.0057652700000000, 0.0075356400000000, 0.0149900200000000 ] - [ -0.0023274500000000, 0.0141066000000000, -0.0028417400000000 ] - [ 0.0009719700000000, -0.0138965100000000, -0.0024795500000000 ] - [ -0.0004240200000000, 0.0017816200000000, 0.0001336600000000 ] - [ -0.0005771100000000, -0.0016194500000000, 0.0003842400000000 ] - [ -0.0000001200000000, 0.0000038700000000, 0.0004007800000000 ] - [ 0.0000680900000000, 0.0002073600000000, 0.0005296900000000 ] - [ -0.0000682200000000, -0.0002011800000000, -0.0009229000000000 ] - [ 0.0000006500000000, 0.0000029700000000, -0.0003472400000000 ] - [ 0.0005229900000000, -0.0001192800000000, 0.0001687400000000 ] - [ 0.0004780600000000, -0.0000240800000000, -0.0000790500000000 ] - [ 0.0006584900000000, -0.0000952100000000, -0.0002002900000000 ] - [ 0.0006801200000000, -0.0000323000000000, 0.0001336200000000 ] - [ 0.0007263800000000, -0.0000827900000000, 0.0003118000000000 ] - [ 0.0006117500000000, 0.0002318600000000, -0.0000177500000000 ] - [ 0.0002213200000000, -0.0009569400000000, -0.0006614800000000 ] - [ 0.0007808100000000, 0.0011189200000000, -0.0008979300000000 ] - [ -0.0001620900000000, -0.0005310800000000, -0.0039072500000000 ] - [ -0.0005027900000000, 0.0035509700000000, -0.0039323100000000 ] - [ 0.0001360700000000, -0.0035560500000000, -0.0038971700000000 ] - [ 0.0006072000000000, 0.0050380100000000, 0.0035179500000000 ] - [ -0.0014716900000000, -0.0056437400000000, 0.0036389300000000 ] - [ -0.0000693200000000, -0.0003007200000000, 0.0095847000000000 ] - [ 0.0042086800000000, -0.0016207800000000, 0.0037667500000000 ] - [ -0.0050672200000000, 0.0022224700000000, 0.0039260500000000 ] - [ -0.0006614800000000, 0.0001020900000000, -0.0121085500000000 ] - [ -0.0009497900000000, -0.0020107600000000, 0.0094588300000000 ] - [ 0.0010490700000000, 0.0031517700000000, 0.0100199200000000 ] - [ -0.0005435500000000, -0.0051338500000000, -0.0004494000000000 ] - [ 0.0005901800000000, 0.0044067900000000, -0.0005051900000000 ] - [ -0.0006598200000000, -0.0000949100000000, 0.0084453900000000 ] - [ -0.0007441100000000, -0.0041254300000000, -0.0009432300000000 ] - [ 0.0000426400000000, 0.0035359600000000, -0.0009833000000000 ] - [ -0.0000430000000000, 0.0002905100000000, -0.0008218100000000 ] - [ -0.0001404400000000, -0.0002181000000000, -0.0001041600000000 ] - [ -0.0007900000000000, 0.0007340400000000, -0.0003222800000000 ] - [ 0.0000012100000000, 0.0004112700000000, 0.0003696000000000 ] - [ -0.0003695500000000, -0.0003666600000000, 0.0003996400000000 ] - [ -0.0001606900000000, 0.0005466400000000, 0.0002415900000000 ] - [ 0.0001603500000000, -0.0005503400000000, 0.0001697700000000 ] - [ 0.0002023100000000, -0.0000754900000000, 0.0000640600000000 ] - [ 0.0001763200000000, 0.0000297000000000, 0.0000177900000000 ] - [ 0.0005262700000000, -0.0003557100000000, 0.0000539900000000 ] - [ 0.0003849800000000, -0.0001634500000000, -0.0001610200000000 ] - [ 0.0000529900000000, -0.0002909200000000, -0.0000915800000000 ] - [ 0.0003348000000000, 0.0002708800000000, -0.0000397200000000 ] - [ 0.0003610500000000, 0.0002692800000000, 0.0000129800000000 ] - [ 0.0006598400000000, 0.0001009200000000, 0.0000498400000000 ] - [ -0.0000131000000000, 0.0003087100000000, -0.0000355500000000 ] - [ -0.0000197200000000, 0.0004117000000000, 0.0000157200000000 ] - [ -0.0000366700000000, -0.0003357000000000, -0.0000383300000000 ] - [ -0.0000104800000000, -0.0003879600000000, 0.0000077000000000 ] - [ 0.0006620100000000, -0.0001073700000000, -0.0001228900000000 ] - [ 0.0002313200000000, -0.0006608500000000, 0.0001222500000000 ] - [ 0.0004681800000000, 0.0000745000000000, 0.0000805400000000 ] - [ 0.0000397600000000, 0.0002870200000000, 0.0018104900000000 ] - [ 0.0016536300000000, 0.0019204400000000, 0.0005789600000000 ] - [ -0.0007210100000000, -0.0014123500000000, 0.0007869300000000 ] - [ 0.0001917500000000, 0.0011693200000000, -0.0009313000000000 ] - [ 0.0001809800000000, -0.0011226800000000, -0.0009198900000000 ] - [ 0.0001589700000000, 0.0005494200000000, -0.0019391300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0072517900000000, 0.0012193700000000, 0.0000000000000000 ] - [ 0.0007806700000000, 0.0004218200000000, 0.0000000000000000 ] - [ 0.0000340900000000, 0.0000856900000000, 0.0000000000000000 ] - [ 0.0000719300000000, 0.0003613600000000, 0.0000000000000000 ] - [ -0.0000808400000000, 0.0006464900000000, 0.0000000000000000 ] - [ -0.0000553400000000, 0.0004537600000000, 0.0000000000000000 ] - [ 0.0006955600000000, 0.0000488200000000, 0.0000000000000000 ] - [ 0.0071223500000000, 0.0008998600000000, 0.0000000000000000 ] - [ -0.2136369600000000, 0.0024322700000000, 0.0000000000000000 ] - [ 0.0560664100000000, 0.0070633100000000, -0.0010379300000000 ] - [ 0.0046420400000000, -0.0010572500000000, 0.0000000000000000 ] - [ 0.0560664100000000, 0.0070633100000000, 0.0010379300000000 ] - [ -0.0099733100000000, -0.0003630500000000, -0.0022623000000000 ] - [ -0.0099733100000000, -0.0003630500000000, 0.0022623000000000 ] - [ -0.0010446300000000, 0.0005992600000000, -0.0014796700000000 ] - [ -0.0010446300000000, 0.0005992600000000, 0.0014796700000000 ] - [ -0.0005513600000000, 0.0004582300000000, -0.0000666300000000 ] - [ -0.0005513600000000, 0.0004582300000000, 0.0000666300000000 ] - [ -0.0005287800000000, 0.0004672300000000, -0.0001464600000000 ] - [ -0.0005287800000000, 0.0004672300000000, 0.0001464600000000 ] - [ 0.0000444000000000, 0.0004073800000000, 0.0000000000000000 ] - [ 0.0000278500000000, 0.0003486600000000, 0.0007334300000000 ] - [ 0.0000278500000000, 0.0003486600000000, -0.0007334300000000 ] - [ -0.0000386700000000, 0.0003497300000000, 0.0000000000000000 ] - [ 0.0004729000000000, 0.0003165200000000, 0.0001012100000000 ] - [ 0.0004729000000000, 0.0003165200000000, -0.0001012100000000 ] - [ 0.0007830200000000, 0.0003150000000000, -0.0002653400000000 ] - [ 0.0007830200000000, 0.0003150000000000, 0.0002653400000000 ] - [ 0.0002919800000000, 0.0007407600000000, -0.0011511000000000 ] - [ 0.0002919800000000, 0.0007407600000000, 0.0011511000000000 ] - [ -0.0090080300000000, -0.0001893400000000, 0.0025445800000000 ] - [ -0.0090080300000000, -0.0001893400000000, -0.0025445800000000 ] - [ 0.0270800400000000, -0.0238904600000000, 0.0000000000000000 ] - [ 0.0144800400000000, 0.0079899000000000, -0.0102765100000000 ] - [ 0.0144800400000000, 0.0079899000000000, 0.0102765100000000 ] - [ -0.0006576000000000, 0.0020952100000000, -0.0030324700000000 ] - [ -0.0006576000000000, 0.0020952100000000, 0.0030324700000000 ] - [ -0.0000270500000000, 0.0000729800000000, 0.0000000000000000 ] - [ 0.0010929000000000, -0.0025623300000000, -0.0004500400000000 ] - [ 0.0010929000000000, -0.0025623300000000, 0.0004500400000000 ] - [ -0.0012993900000000, 0.0006013700000000, 0.0000000000000000 ] - [ 0.0002929400000000, 0.0000290800000000, 0.0003068800000000 ] - [ 0.0002929400000000, 0.0000290800000000, -0.0003068800000000 ] - [ -0.0000567400000000, -0.0008566500000000, -0.0001217400000000 ] - [ -0.0000567400000000, -0.0008566500000000, 0.0001217400000000 ] - [ -0.0006891400000000, -0.0003273900000000, 0.0000000000000000 ] - [ -0.0003837400000000, -0.0006387700000000, -0.0000630500000000 ] - [ -0.0003837400000000, -0.0006387700000000, 0.0000630500000000 ] - [ -0.0000814700000000, 0.0000540700000000, 0.0000000000000000 ] - [ -0.0004072500000000, 0.0000035900000000, 0.0001207800000000 ] - [ -0.0004072500000000, 0.0000035900000000, -0.0001207800000000 ] - [ -0.0001975300000000, -0.0002392500000000, -0.0000552000000000 ] - [ -0.0001975300000000, -0.0002392500000000, 0.0000552000000000 ] - [ -0.0002024100000000, 0.0002677200000000, 0.0000000000000000 ] - [ 0.0001228800000000, -0.0008322800000000, 0.0000000000000000 ] - [ 0.0001710400000000, -0.0002903500000000, -0.0000224800000000 ] - [ 0.0001710400000000, -0.0002903500000000, 0.0000224800000000 ] - [ 0.0005286900000000, -0.0005240100000000, 0.0000965700000000 ] - [ 0.0005286900000000, -0.0005240100000000, -0.0000965700000000 ] - [ -0.0000062900000000, -0.0005395700000000, 0.0000000000000000 ] - [ 0.0003187400000000, -0.0000591000000000, -0.0000990100000000 ] - [ 0.0003187400000000, -0.0000591000000000, 0.0000990100000000 ] - [ 0.0006334600000000, -0.0001174700000000, 0.0000000000000000 ] - [ -0.0000881600000000, -0.0001048300000000, -0.0001763100000000 ] - [ -0.0000881600000000, -0.0001048300000000, 0.0001763100000000 ] - [ 0.0002252700000000, -0.0006975800000000, 0.0002628200000000 ] - [ 0.0002252700000000, -0.0006975800000000, -0.0002628200000000 ] - [ 0.0000323900000000, 0.0003869400000000, 0.0000000000000000 ] - [ 0.0018075200000000, -0.0031675900000000, 0.0004723400000000 ] - [ 0.0018075200000000, -0.0031675900000000, -0.0004723400000000 ] - [ 0.0000349000000000, 0.0006701600000000, 0.0000000000000000 ] - [ 0.0002831400000000, 0.0026199600000000, 0.0028328200000000 ] - [ 0.0002831400000000, 0.0026199600000000, -0.0028328200000000 ] - [ 0.0147014000000000, 0.0076965500000000, 0.0098267100000000 ] - [ 0.0147014000000000, 0.0076965500000000, -0.0098267100000000 ] - [ 0.0302776500000000, -0.0247162200000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039589900000000, 0.0123121400000000, 0.0000000000000000 ] - [ 0.0006105100000000, 0.0005675300000000, 0.0000000000000000 ] - [ -0.0000508500000000, 0.0030906700000000, 0.0000000000000000 ] - [ 0.0000953100000000, 0.0034277800000000, 0.0000000000000000 ] - [ -0.0000538200000000, 0.0037170900000000, 0.0000000000000000 ] - [ -0.0001461100000000, 0.0034474400000000, 0.0000000000000000 ] - [ 0.0005159900000000, 0.0002220700000000, 0.0000000000000000 ] - [ 0.0037519800000000, 0.0119555200000000, 0.0000000000000000 ] - [ 0.0023976700000000, -0.1414202600000000, 0.0000000000000000 ] - [ 0.0091778600000000, -0.0433417600000000, -0.0006920100000000 ] - [ 0.0016834100000000, -0.0176644700000000, 0.0000000000000000 ] - [ 0.0091778600000000, -0.0433417600000000, 0.0006920100000000 ] - [ -0.0071043500000000, -0.0003172100000000, -0.0131358400000000 ] - [ -0.0071043500000000, -0.0003172100000000, 0.0131358400000000 ] - [ -0.0008175100000000, 0.0031914700000000, 0.0011690900000000 ] - [ -0.0008175100000000, 0.0031914700000000, -0.0011690900000000 ] - [ -0.0004608300000000, 0.0032841700000000, -0.0002233400000000 ] - [ -0.0004608300000000, 0.0032841700000000, 0.0002233400000000 ] - [ -0.0007307900000000, 0.0033166200000000, -0.0003694700000000 ] - [ -0.0007307900000000, 0.0033166200000000, 0.0003694700000000 ] - [ 0.0003852200000000, 0.0034218500000000, 0.0000000000000000 ] - [ 0.0002060700000000, 0.0028043600000000, 0.0007352300000000 ] - [ 0.0002060700000000, 0.0028043600000000, -0.0007352300000000 ] - [ -0.0003501500000000, 0.0027832200000000, 0.0000000000000000 ] - [ 0.0002756200000000, 0.0031572000000000, -0.0001184100000000 ] - [ 0.0002756200000000, 0.0031572000000000, 0.0001184100000000 ] - [ 0.0008704600000000, 0.0031373900000000, -0.0001157900000000 ] - [ 0.0008704600000000, 0.0031373900000000, 0.0001157900000000 ] - [ 0.0005150800000000, 0.0033363200000000, 0.0014892400000000 ] - [ 0.0005150800000000, 0.0033363200000000, -0.0014892400000000 ] - [ -0.0061197300000000, -0.0001273900000000, 0.0133326600000000 ] - [ -0.0061197300000000, -0.0001273900000000, -0.0133326600000000 ] - [ -0.0167723000000000, 0.0390990000000000, 0.0000000000000000 ] - [ 0.0066005500000000, 0.0276119000000000, -0.0103684200000000 ] - [ 0.0066005500000000, 0.0276119000000000, 0.0103684200000000 ] - [ -0.0000964200000000, 0.0083296500000000, 0.0032722500000000 ] - [ -0.0000964200000000, 0.0083296500000000, -0.0032722500000000 ] - [ -0.0015770200000000, 0.0041085300000000, 0.0000000000000000 ] - [ 0.0006279500000000, -0.0016014200000000, -0.0014048400000000 ] - [ 0.0006279500000000, -0.0016014200000000, 0.0014048400000000 ] - [ -0.0003051100000000, -0.0031213300000000, 0.0000000000000000 ] - [ 0.0003436100000000, -0.0021436300000000, -0.0013085100000000 ] - [ 0.0003436100000000, -0.0021436300000000, 0.0013085100000000 ] - [ -0.0003872400000000, -0.0027622100000000, 0.0004711200000000 ] - [ -0.0003872400000000, -0.0027622100000000, -0.0004711200000000 ] - [ -0.0008897200000000, -0.0017455100000000, 0.0000000000000000 ] - [ -0.0005337000000000, -0.0032616200000000, -0.0004327400000000 ] - [ -0.0005337000000000, -0.0032616200000000, 0.0004327400000000 ] - [ -0.0003538300000000, -0.0017697600000000, 0.0000000000000000 ] - [ 0.0000274000000000, -0.0019014100000000, 0.0002657600000000 ] - [ 0.0000274000000000, -0.0019014100000000, -0.0002657600000000 ] - [ -0.0003360100000000, -0.0020935000000000, -0.0003675700000000 ] - [ -0.0003360100000000, -0.0020935000000000, 0.0003675700000000 ] - [ -0.0004714400000000, -0.0016488700000000, 0.0000000000000000 ] - [ -0.0001473000000000, -0.0027472200000000, 0.0000000000000000 ] - [ 0.0000318900000000, -0.0021444500000000, -0.0003326900000000 ] - [ 0.0000318900000000, -0.0021444500000000, 0.0003326900000000 ] - [ 0.0009516200000000, -0.0024350800000000, -0.0000408100000000 ] - [ 0.0009516200000000, -0.0024350800000000, 0.0000408100000000 ] - [ -0.0002664800000000, -0.0023552500000000, 0.0000000000000000 ] - [ 0.0001549900000000, -0.0027232000000000, -0.0004949900000000 ] - [ 0.0001549900000000, -0.0027232000000000, 0.0004949900000000 ] - [ 0.0004285700000000, -0.0015426300000000, 0.0000000000000000 ] - [ -0.0004079900000000, -0.0020725900000000, 0.0004229000000000 ] - [ -0.0004079900000000, -0.0020725900000000, -0.0004229000000000 ] - [ 0.0003221700000000, -0.0028362700000000, -0.0013480900000000 ] - [ 0.0003221700000000, -0.0028362700000000, 0.0013480900000000 ] - [ 0.0010137100000000, -0.0033050700000000, 0.0000000000000000 ] - [ 0.0013240600000000, -0.0021590900000000, 0.0014580200000000 ] - [ 0.0013240600000000, -0.0021590900000000, -0.0014580200000000 ] - [ -0.0014882000000000, 0.0046893300000000, 0.0000000000000000 ] - [ 0.0008239800000000, 0.0088534100000000, -0.0034997300000000 ] - [ 0.0008239800000000, 0.0088534100000000, 0.0034997300000000 ] - [ 0.0065109100000000, 0.0272058400000000, 0.0095771200000000 ] - [ 0.0065109100000000, 0.0272058400000000, -0.0095771200000000 ] - [ -0.0155083300000000, 0.0398632000000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000730500000000, 0.0001325500000000, -0.0087773300000000 ] - [ 0.0000539900000000, 0.0001972300000000, 0.0049594000000000 ] - [ 0.0000569400000000, -0.0001925700000000, -0.0003489500000000 ] - [ 0.0000765000000000, -0.0001520500000000, 0.0002501000000000 ] - [ -0.0000765000000000, 0.0001520500000000, 0.0002501000000000 ] - [ -0.0000569400000000, 0.0001925700000000, -0.0003489500000000 ] - [ -0.0000539900000000, -0.0001972300000000, 0.0049594000000000 ] - [ -0.0000730500000000, -0.0001325500000000, -0.0087773300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1638289500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024503100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0165556600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011350100000000 ] - [ 0.0031501600000000, -0.0122224400000000, 0.0219937100000000 ] - [ -0.0041186900000000, 0.0122215200000000, 0.0218677600000000 ] - [ -0.0015036600000000, 0.0021879500000000, -0.0022523200000000 ] - [ 0.0001645600000000, -0.0023248600000000, -0.0019093200000000 ] - [ -0.0008917100000000, -0.0004646700000000, 0.0001720900000000 ] - [ -0.0004443000000000, 0.0006051100000000, 0.0005038500000000 ] - [ -0.0005099600000000, -0.0000458400000000, -0.0001502300000000 ] - [ -0.0004932900000000, 0.0001955500000000, 0.0000979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000631900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007597100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007041800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000489000000000 ] - [ 0.0004932900000000, -0.0001955500000000, 0.0000979800000000 ] - [ 0.0005099600000000, 0.0000458400000000, -0.0001502300000000 ] - [ 0.0008917100000000, 0.0004646700000000, 0.0001720900000000 ] - [ 0.0004443000000000, -0.0006051100000000, 0.0005038500000000 ] - [ -0.0001645600000000, 0.0023248600000000, -0.0019093200000000 ] - [ 0.0015036600000000, -0.0021879500000000, -0.0022523200000000 ] - [ -0.0031501600000000, 0.0122224400000000, 0.0219937100000000 ] - [ 0.0041186900000000, -0.0122215200000000, 0.0218677600000000 ] - [ -0.0000068200000000, -0.0006399000000000, 0.0228275300000000 ] - [ -0.0039392900000000, -0.0103361000000000, 0.0230101400000000 ] - [ 0.0043610100000000, 0.0113298500000000, 0.0241646500000000 ] - [ -0.0008457400000000, 0.0026570200000000, -0.0085953200000000 ] - [ -0.0000517100000000, -0.0031903900000000, -0.0083777500000000 ] - [ -0.0000449100000000, -0.0002963100000000, -0.0125682500000000 ] - [ 0.0005710300000000, -0.0051678000000000, -0.0020830300000000 ] - [ -0.0012693600000000, 0.0057150100000000, -0.0021472700000000 ] - [ -0.0006585800000000, 0.0001038400000000, 0.0019270400000000 ] - [ 0.0004122400000000, -0.0000164000000000, 0.0004380800000000 ] - [ -0.0003807500000000, 0.0007254100000000, 0.0003851200000000 ] - [ 0.0001059400000000, 0.0004382700000000, 0.0001638400000000 ] - [ -0.0000726700000000, -0.0011460900000000, 0.0001178000000000 ] - [ -0.0006577100000000, -0.0001009700000000, -0.0004110200000000 ] - [ -0.0002913600000000, -0.0000432100000000, 0.0000989000000000 ] - [ -0.0004028200000000, -0.0005087500000000, 0.0000439100000000 ] - [ -0.0000480500000000, 0.0002882100000000, 0.0000602200000000 ] - [ -0.0004774500000000, 0.0002897600000000, 0.0001298600000000 ] - [ -0.0004467200000000, 0.0002325100000000, -0.0000895200000000 ] - [ -0.0001972800000000, 0.0000027000000000, -0.0000476900000000 ] - [ -0.0001695100000000, 0.0000480400000000, -0.0000146600000000 ] - [ -0.0001659600000000, 0.0005549900000000, -0.0000306400000000 ] - [ 0.0001659600000000, -0.0005549900000000, -0.0000306400000000 ] - [ 0.0001695100000000, -0.0000480400000000, -0.0000146600000000 ] - [ 0.0001972800000000, -0.0000027000000000, -0.0000476900000000 ] - [ 0.0004774500000000, -0.0002897600000000, 0.0001298600000000 ] - [ 0.0004467200000000, -0.0002325100000000, -0.0000895200000000 ] - [ 0.0000480500000000, -0.0002882100000000, 0.0000602200000000 ] - [ 0.0004028200000000, 0.0005087500000000, 0.0000439100000000 ] - [ 0.0002913600000000, 0.0000432100000000, 0.0000989000000000 ] - [ 0.0006577100000000, 0.0001009700000000, -0.0004110200000000 ] - [ 0.0000726700000000, 0.0011460900000000, 0.0001178000000000 ] - [ -0.0001059400000000, -0.0004382700000000, 0.0001638400000000 ] - [ 0.0003807500000000, -0.0007254100000000, 0.0003851200000000 ] - [ -0.0004122400000000, 0.0000164000000000, 0.0004380800000000 ] - [ 0.0006585800000000, -0.0001038400000000, 0.0019270400000000 ] - [ -0.0005710300000000, 0.0051678000000000, -0.0020830300000000 ] - [ 0.0012693600000000, -0.0057150100000000, -0.0021472700000000 ] - [ 0.0000449100000000, 0.0002963100000000, -0.0125682500000000 ] - [ 0.0008457400000000, -0.0026570200000000, -0.0085953200000000 ] - [ 0.0000517100000000, 0.0031903900000000, -0.0083777500000000 ] - [ 0.0039392900000000, 0.0103361000000000, 0.0230101400000000 ] - [ -0.0043610100000000, -0.0113298500000000, 0.0241646500000000 ] - [ 0.0000068200000000, 0.0006399000000000, 0.0228275300000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0051249100000000, -0.0017813800000000, -0.0030183400000000 ] - [ -0.0011764600000000, 0.0014311900000000, 0.0000300100000000 ] - [ 0.0000671600000000, -0.0004262600000000, -0.0000701400000000 ] - [ 0.0000885800000000, -0.0004339400000000, 0.0000526300000000 ] - [ -0.0000658800000000, -0.0001366400000000, -0.0000531500000000 ] - [ -0.0000382700000000, -0.0000478500000000, 0.0000700600000000 ] - [ -0.0012880000000000, 0.0010569700000000, -0.0000278800000000 ] - [ -0.0053077000000000, -0.0020535600000000, 0.0030126600000000 ] - [ 0.0560660600000000, 0.0091776000000000, 0.0003216300000000 ] - [ -0.1602660700000000, 0.0094218100000000, -0.0012078900000000 ] - [ -0.0123953700000000, -0.0073337600000000, 0.0000536300000000 ] - [ -0.0129987200000000, -0.0088061900000000, 0.0006843500000000 ] - [ 0.0243358600000000, 0.0009805600000000, 0.0096690700000000 ] - [ 0.0035088500000000, 0.0000920800000000, 0.0005379600000000 ] - [ -0.0006150400000000, 0.0000520600000000, -0.0003589400000000 ] - [ -0.0001242600000000, -0.0010319400000000, -0.0006155000000000 ] - [ -0.0008211900000000, -0.0002209500000000, -0.0000577800000000 ] - [ -0.0006885300000000, -0.0000077100000000, 0.0001670200000000 ] - [ -0.0004834700000000, -0.0001927500000000, -0.0001073100000000 ] - [ -0.0004825200000000, -0.0001422700000000, 0.0001002800000000 ] - [ -0.0000274500000000, -0.0002581500000000, 0.0000001200000000 ] - [ -0.0000183100000000, -0.0002167800000000, 0.0007305100000000 ] - [ -0.0000114900000000, -0.0002043800000000, -0.0007296400000000 ] - [ 0.0000269600000000, -0.0002062300000000, -0.0000001300000000 ] - [ 0.0005210600000000, -0.0002890800000000, 0.0001462000000000 ] - [ 0.0005177100000000, -0.0003389600000000, -0.0001385500000000 ] - [ 0.0005151900000000, -0.0003655200000000, -0.0002746900000000 ] - [ 0.0006474600000000, -0.0001504600000000, 0.0001652900000000 ] - [ 0.0012117500000000, -0.0008884500000000, 0.0009491200000000 ] - [ 0.0007210800000000, 0.0001983100000000, 0.0000262300000000 ] - [ 0.0254254700000000, 0.0009305300000000, -0.0095737700000000 ] - [ 0.0045359600000000, 0.0002309400000000, -0.0007886600000000 ] - [ 0.0154891100000000, 0.0063424100000000, 0.0066419900000000 ] - [ 0.0198235300000000, -0.0168650900000000, -0.0003734900000000 ] - [ -0.0010808200000000, 0.0019378900000000, 0.0029775600000000 ] - [ 0.0088834100000000, 0.0024192600000000, -0.0031691500000000 ] - [ -0.0003926300000000, -0.0003473500000000, -0.0001233700000000 ] - [ -0.0007212200000000, 0.0009841100000000, -0.0034218000000000 ] - [ -0.0008144800000000, 0.0005903900000000, -0.0000633900000000 ] - [ -0.0025373600000000, 0.0036455400000000, -0.0023390100000000 ] - [ -0.0004242000000000, 0.0002162000000000, 0.0004491000000000 ] - [ -0.0000821700000000, 0.0004974200000000, 0.0006176300000000 ] - [ -0.0002544200000000, 0.0004995900000000, -0.0001508200000000 ] - [ 0.0001099600000000, 0.0001296900000000, 0.0000818400000000 ] - [ 0.0000509800000000, -0.0002282600000000, 0.0000086800000000 ] - [ -0.0006425600000000, -0.0000767300000000, -0.0000682300000000 ] - [ -0.0003133000000000, -0.0000195200000000, 0.0000696800000000 ] - [ -0.0003391600000000, -0.0000894700000000, -0.0000466800000000 ] - [ -0.0000289500000000, 0.0004421100000000, 0.0000188100000000 ] - [ -0.0005026200000000, 0.0004288600000000, 0.0000988800000000 ] - [ -0.0004812400000000, 0.0004115400000000, -0.0000893700000000 ] - [ -0.0001810400000000, 0.0001754600000000, -0.0000049700000000 ] - [ -0.0001714200000000, 0.0001885700000000, -0.0000160200000000 ] - [ -0.0001387100000000, 0.0007191100000000, -0.0000037200000000 ] - [ 0.0001905900000000, -0.0003939600000000, -0.0000021300000000 ] - [ 0.0001952400000000, 0.0001393000000000, 0.0000427200000000 ] - [ 0.0001895400000000, 0.0001270600000000, -0.0000358500000000 ] - [ 0.0004268100000000, -0.0000854200000000, 0.0001155500000000 ] - [ 0.0004340600000000, -0.0001032700000000, -0.0001183200000000 ] - [ 0.0000670100000000, -0.0001353500000000, -0.0000068200000000 ] - [ 0.0003548500000000, 0.0004440600000000, -0.0000067700000000 ] - [ 0.0003832300000000, 0.0005307200000000, -0.0000217100000000 ] - [ 0.0006738100000000, 0.0001227100000000, 0.0000744400000000 ] - [ 0.0000242500000000, 0.0004793900000000, -0.0000572900000000 ] - [ 0.0000716100000000, 0.0008293300000000, -0.0000375100000000 ] - [ -0.0002771500000000, -0.0002097200000000, 0.0001025300000000 ] - [ -0.0001186200000000, -0.0002044800000000, -0.0005755900000000 ] - [ 0.0008914900000000, 0.0000153900000000, -0.0004389400000000 ] - [ -0.0001210100000000, 0.0000387700000000, 0.0001122700000000 ] - [ -0.0018659400000000, 0.0031178200000000, 0.0022867700000000 ] - [ -0.0006378300000000, 0.0015653900000000, 0.0034612000000000 ] - [ 0.0097592500000000, 0.0027853000000000, 0.0027757900000000 ] - [ 0.0005359000000000, 0.0001676900000000, 0.0003348800000000 ] - [ 0.0223655000000000, -0.0184102300000000, 0.0003778100000000 ] - [ -0.0007230200000000, 0.0019847700000000, -0.0029737600000000 ] - [ 0.0156742700000000, 0.0071541600000000, -0.0061978700000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025397000000000, 0.0130210200000000, 0.0082835700000000 ] - [ -0.0005989600000000, 0.0030864300000000, -0.0038557900000000 ] - [ -0.0000318400000000, 0.0029570800000000, 0.0002040500000000 ] - [ 0.0001142700000000, 0.0034589100000000, -0.0001454300000000 ] - [ -0.0000422100000000, 0.0037639300000000, 0.0001445700000000 ] - [ -0.0001394700000000, 0.0033353100000000, -0.0002035900000000 ] - [ -0.0007088900000000, 0.0027107600000000, 0.0038328500000000 ] - [ -0.0026591700000000, 0.0125867700000000, -0.0081750200000000 ] - [ 0.0070649700000000, -0.0433413000000000, -0.0000442800000000 ] - [ 0.0093923300000000, -0.1405048000000000, -0.0006712500000000 ] - [ -0.0076540400000000, -0.0332683500000000, 0.0000406500000000 ] - [ -0.0088061600000000, -0.0286529700000000, 0.0006887700000000 ] - [ 0.0057146400000000, 0.0022461600000000, -0.0119336600000000 ] - [ 0.0002573100000000, -0.0032856200000000, -0.0012860600000000 ] - [ -0.0002699200000000, 0.0018671300000000, 0.0014513100000000 ] - [ -0.0009434700000000, 0.0043932300000000, 0.0007582400000000 ] - [ -0.0004602100000000, 0.0037570300000000, -0.0003093700000000 ] - [ -0.0006375300000000, 0.0030620700000000, -0.0001255000000000 ] - [ -0.0007270100000000, 0.0034097600000000, -0.0003490000000000 ] - [ -0.0007334800000000, 0.0032457300000000, 0.0003723600000000 ] - [ 0.0003876800000000, 0.0034112500000000, 0.0000001100000000 ] - [ 0.0002156900000000, 0.0028348100000000, 0.0007319400000000 ] - [ 0.0002061800000000, 0.0027932400000000, -0.0007320100000000 ] - [ -0.0003485000000000, 0.0028039800000000, -0.0000001800000000 ] - [ 0.0002702000000000, 0.0030968100000000, -0.0001252300000000 ] - [ 0.0002740600000000, 0.0032597400000000, 0.0001020300000000 ] - [ 0.0008779300000000, 0.0036139800000000, -0.0000268400000000 ] - [ 0.0006991300000000, 0.0029228400000000, 0.0004578200000000 ] - [ 0.0003865500000000, 0.0045299400000000, -0.0004294200000000 ] - [ 0.0010628000000000, 0.0020163200000000, -0.0017741600000000 ] - [ 0.0067269300000000, 0.0024350200000000, 0.0121434200000000 ] - [ 0.0012746400000000, -0.0031255000000000, 0.0010342300000000 ] - [ 0.0082637700000000, 0.0319428000000000, 0.0052988500000000 ] - [ -0.0155167100000000, 0.0315895500000000, -0.0021614600000000 ] - [ -0.0025814400000000, 0.0099202800000000, -0.0013519000000000 ] - [ 0.0081309900000000, 0.0262013600000000, -0.0045610000000000 ] - [ 0.0004443000000000, 0.0055677500000000, 0.0016175900000000 ] - [ -0.0032700400000000, 0.0061564600000000, 0.0054644400000000 ] - [ -0.0002893700000000, 0.0013296100000000, 0.0004369800000000 ] - [ -0.0007522500000000, -0.0039729800000000, 0.0010144700000000 ] - [ -0.0002888300000000, -0.0021317500000000, -0.0010405500000000 ] - [ -0.0000305000000000, -0.0019988400000000, -0.0008129400000000 ] - [ 0.0004207400000000, -0.0027346000000000, 0.0005861000000000 ] - [ -0.0003685000000000, -0.0031682200000000, 0.0002708700000000 ] - [ -0.0002843600000000, -0.0022915100000000, -0.0004029900000000 ] - [ -0.0008802200000000, -0.0019071000000000, 0.0002786300000000 ] - [ -0.0005666500000000, -0.0034606700000000, -0.0005176900000000 ] - [ -0.0005103200000000, -0.0031516400000000, 0.0004272000000000 ] - [ -0.0003680200000000, -0.0017710700000000, -0.0000344800000000 ] - [ 0.0000471600000000, -0.0019362200000000, 0.0002463000000000 ] - [ 0.0000080700000000, -0.0018800200000000, -0.0002635500000000 ] - [ -0.0003282000000000, -0.0020841000000000, -0.0003480500000000 ] - [ -0.0003456900000000, -0.0021251400000000, 0.0003808400000000 ] - [ -0.0004755500000000, -0.0016621500000000, 0.0000031200000000 ] - [ -0.0001428500000000, -0.0027763800000000, -0.0000056700000000 ] - [ 0.0000217400000000, -0.0021756800000000, -0.0003506300000000 ] - [ 0.0000400200000000, -0.0021338300000000, 0.0003137500000000 ] - [ 0.0009759200000000, -0.0024530700000000, -0.0000292800000000 ] - [ 0.0009334000000000, -0.0023970000000000, 0.0000476500000000 ] - [ -0.0002751000000000, -0.0023483500000000, 0.0000372700000000 ] - [ 0.0001808500000000, -0.0026176000000000, -0.0004855100000000 ] - [ 0.0001277800000000, -0.0029135100000000, 0.0005691100000000 ] - [ 0.0004333600000000, -0.0017095200000000, -0.0002684600000000 ] - [ -0.0003109100000000, -0.0015869700000000, 0.0003532700000000 ] - [ -0.0004032000000000, -0.0024588600000000, -0.0002223200000000 ] - [ 0.0003873200000000, -0.0034383300000000, -0.0006280600000000 ] - [ -0.0000624700000000, -0.0027005200000000, 0.0008511900000000 ] - [ 0.0010227400000000, -0.0023292100000000, 0.0010336000000000 ] - [ 0.0004015400000000, 0.0007607300000000, -0.0003865500000000 ] - [ -0.0000631300000000, -0.0045449100000000, -0.0010606400000000 ] - [ -0.0031867200000000, 0.0067328100000000, -0.0054540400000000 ] - [ 0.0086794600000000, 0.0262526200000000, 0.0036187900000000 ] - [ 0.0013829800000000, 0.0060836700000000, -0.0013937700000000 ] - [ -0.0142173700000000, 0.0311898500000000, 0.0021498800000000 ] - [ -0.0022293200000000, 0.0099656600000000, 0.0013647900000000 ] - [ 0.0082208100000000, 0.0327258900000000, -0.0046442800000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0033266500000000, 0.0111398200000000, -0.0021415200000000 ] - [ 0.0008603600000000, -0.0044418100000000, 0.0041888900000000 ] - [ 0.0000365800000000, 0.0000769000000000, -0.0001964800000000 ] - [ 0.0000708900000000, -0.0002364700000000, 0.0001419800000000 ] - [ -0.0000708900000000, 0.0002364700000000, 0.0001419800000000 ] - [ -0.0000365800000000, -0.0000769000000000, -0.0001964800000000 ] - [ -0.0008603600000000, 0.0044418100000000, 0.0041888900000000 ] - [ 0.0033266500000000, -0.0111398200000000, -0.0021415200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1853951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0454566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0461223400000000 ] - [ -0.0125177200000000, -0.0094980300000000, -0.0080701600000000 ] - [ -0.0005838100000000, 0.0011023900000000, 0.0135978700000000 ] - [ -0.0006923300000000, 0.0008782900000000, 0.0011364300000000 ] - [ -0.0000051600000000, -0.0014653500000000, -0.0032038000000000 ] - [ -0.0008183600000000, -0.0003535000000000, -0.0002952600000000 ] - [ -0.0006427000000000, 0.0002989400000000, 0.0007141500000000 ] - [ -0.0005028700000000, 0.0000103400000000, -0.0001663700000000 ] - [ -0.0004907900000000, 0.0001552500000000, 0.0001402100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000368600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006737800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000301500000000 ] - [ 0.0004907900000000, -0.0001552500000000, 0.0001402100000000 ] - [ 0.0005028700000000, -0.0000103400000000, -0.0001663700000000 ] - [ 0.0008183600000000, 0.0003535000000000, -0.0002952600000000 ] - [ 0.0006427000000000, -0.0002989400000000, 0.0007141500000000 ] - [ 0.0000051600000000, 0.0014653500000000, -0.0032038000000000 ] - [ 0.0006923300000000, -0.0008782900000000, 0.0011364300000000 ] - [ 0.0125177200000000, 0.0094980300000000, -0.0080701600000000 ] - [ 0.0005838100000000, -0.0011023900000000, 0.0135978700000000 ] - [ 0.0067721500000000, 0.0116032000000000, 0.0267942100000000 ] - [ -0.0023074600000000, -0.0010399000000000, 0.0213309300000000 ] - [ 0.0008228200000000, -0.0053314600000000, -0.0092257700000000 ] - [ -0.0014537100000000, -0.0068989300000000, 0.0225253000000000 ] - [ -0.0001965400000000, -0.0007854100000000, -0.0121313600000000 ] - [ -0.0002725900000000, 0.0026187900000000, -0.0079149100000000 ] - [ -0.0004884900000000, -0.0004853700000000, -0.0029910400000000 ] - [ 0.0019941100000000, 0.0045823500000000, 0.0027275400000000 ] - [ 0.0001064900000000, -0.0017628400000000, 0.0009879500000000 ] - [ 0.0001105200000000, 0.0000273100000000, -0.0017147500000000 ] - [ -0.0002161300000000, 0.0007555000000000, 0.0016544500000000 ] - [ -0.0000188100000000, 0.0002300800000000, 0.0004036500000000 ] - [ -0.0000858700000000, -0.0006329000000000, -0.0002962000000000 ] - [ -0.0006455200000000, 0.0001796900000000, -0.0002724800000000 ] - [ -0.0003016300000000, -0.0001434200000000, 0.0001446000000000 ] - [ -0.0003564800000000, -0.0004301300000000, -0.0000549400000000 ] - [ -0.0000134500000000, 0.0002743400000000, 0.0000431800000000 ] - [ -0.0004894800000000, 0.0002628400000000, 0.0001524500000000 ] - [ -0.0004644200000000, 0.0002273000000000, -0.0001245700000000 ] - [ -0.0001938200000000, 0.0000099100000000, -0.0000527800000000 ] - [ -0.0001731800000000, 0.0000382100000000, 0.0000126800000000 ] - [ -0.0001613100000000, 0.0005702800000000, -0.0000177800000000 ] - [ 0.0001613100000000, -0.0005702800000000, -0.0000177800000000 ] - [ 0.0001731800000000, -0.0000382100000000, 0.0000126800000000 ] - [ 0.0001938200000000, -0.0000099100000000, -0.0000527800000000 ] - [ 0.0004894800000000, -0.0002628400000000, 0.0001524500000000 ] - [ 0.0004644200000000, -0.0002273000000000, -0.0001245700000000 ] - [ 0.0000134500000000, -0.0002743400000000, 0.0000431800000000 ] - [ 0.0003564800000000, 0.0004301300000000, -0.0000549400000000 ] - [ 0.0003016300000000, 0.0001434200000000, 0.0001446000000000 ] - [ 0.0006455200000000, -0.0001796900000000, -0.0002724800000000 ] - [ 0.0000858700000000, 0.0006329000000000, -0.0002962000000000 ] - [ 0.0000188100000000, -0.0002300800000000, 0.0004036500000000 ] - [ 0.0002161300000000, -0.0007555000000000, 0.0016544500000000 ] - [ -0.0001105200000000, -0.0000273100000000, -0.0017147500000000 ] - [ -0.0001064900000000, 0.0017628400000000, 0.0009879500000000 ] - [ 0.0004884900000000, 0.0004853700000000, -0.0029910400000000 ] - [ -0.0019941100000000, -0.0045823500000000, 0.0027275400000000 ] - [ 0.0002725900000000, -0.0026187900000000, -0.0079149100000000 ] - [ 0.0014537100000000, 0.0068989300000000, 0.0225253000000000 ] - [ 0.0001965400000000, 0.0007854100000000, -0.0121313600000000 ] - [ 0.0023074600000000, 0.0010399000000000, 0.0213309300000000 ] - [ -0.0008228200000000, 0.0053314600000000, -0.0092257700000000 ] - [ -0.0067721500000000, -0.0116032000000000, 0.0267942100000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0034809700000000, -0.0108485600000000, 0.0021064100000000 ] - [ -0.0007593000000000, 0.0048262900000000, -0.0041829700000000 ] - [ 0.0000613200000000, -0.0004482300000000, 0.0001968600000000 ] - [ 0.0000842200000000, -0.0000467900000000, -0.0001408700000000 ] - [ -0.0000842200000000, 0.0000467900000000, -0.0001408700000000 ] - [ -0.0000613200000000, 0.0004482300000000, 0.0001968600000000 ] - [ 0.0007593000000000, -0.0048262900000000, -0.0041829700000000 ] - [ -0.0034809700000000, 0.0108485600000000, 0.0021064100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017173600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1837055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0460495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0440758800000000 ] - [ 0.0115191100000000, 0.0093632300000000, 0.0084039000000000 ] - [ -0.0004373500000000, -0.0012367900000000, -0.0138510100000000 ] - [ -0.0006450200000000, -0.0010198900000000, -0.0014795300000000 ] - [ -0.0013280300000000, 0.0013149700000000, 0.0035369100000000 ] - [ -0.0005181500000000, 0.0004986200000000, -0.0000392900000000 ] - [ -0.0006919400000000, -0.0001507900000000, -0.0003820900000000 ] - [ -0.0005021100000000, 0.0001478000000000, -0.0000821700000000 ] - [ -0.0005151100000000, 0.0000015900000000, 0.0001099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000370400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007519500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000296400000000 ] - [ 0.0005151100000000, -0.0000015900000000, 0.0001099800000000 ] - [ 0.0005021100000000, -0.0001478000000000, -0.0000821700000000 ] - [ 0.0005181500000000, -0.0004986200000000, -0.0000392900000000 ] - [ 0.0006919400000000, 0.0001507900000000, -0.0003820900000000 ] - [ 0.0013280300000000, -0.0013149700000000, 0.0035369100000000 ] - [ 0.0006450200000000, 0.0010198900000000, -0.0014795300000000 ] - [ -0.0115191100000000, -0.0093632300000000, 0.0084039000000000 ] - [ 0.0004373500000000, 0.0012367900000000, -0.0138510100000000 ] - [ -0.0061591100000000, -0.0115772900000000, -0.0253404900000000 ] - [ 0.0021765900000000, 0.0008241200000000, -0.0213790000000000 ] - [ -0.0011466400000000, 0.0052553400000000, 0.0092395700000000 ] - [ 0.0012161000000000, 0.0074704500000000, -0.0240276000000000 ] - [ -0.0007483800000000, 0.0002401600000000, 0.0123501600000000 ] - [ 0.0002249900000000, -0.0032320500000000, 0.0079221900000000 ] - [ -0.0001954500000000, 0.0010229500000000, 0.0030577500000000 ] - [ -0.0026900600000000, -0.0040244200000000, -0.0028002900000000 ] - [ -0.0014192900000000, 0.0019638800000000, -0.0009864700000000 ] - [ -0.0000915700000000, 0.0006791300000000, 0.0017668800000000 ] - [ 0.0002403100000000, -0.0000566600000000, -0.0016998100000000 ] - [ 0.0000481800000000, -0.0009254400000000, -0.0003592000000000 ] - [ 0.0001255700000000, -0.0000634900000000, 0.0002549800000000 ] - [ -0.0006710400000000, -0.0003799100000000, 0.0002615000000000 ] - [ -0.0003875500000000, -0.0004097600000000, -0.0000832000000000 ] - [ -0.0003375800000000, -0.0001305500000000, 0.0000028500000000 ] - [ -0.0000581300000000, 0.0003131900000000, -0.0000407900000000 ] - [ -0.0004486200000000, 0.0002674100000000, 0.0000815100000000 ] - [ -0.0004697700000000, 0.0003000100000000, -0.0001104400000000 ] - [ -0.0001754000000000, 0.0000321000000000, 0.0000227200000000 ] - [ -0.0001914900000000, 0.0000068600000000, 0.0000158900000000 ] - [ -0.0001659800000000, 0.0005243700000000, 0.0000201600000000 ] - [ 0.0001659800000000, -0.0005243700000000, 0.0000201600000000 ] - [ 0.0001914900000000, -0.0000068600000000, 0.0000158900000000 ] - [ 0.0001754000000000, -0.0000321000000000, 0.0000227200000000 ] - [ 0.0004486200000000, -0.0002674100000000, 0.0000815100000000 ] - [ 0.0004697700000000, -0.0003000100000000, -0.0001104400000000 ] - [ 0.0000581300000000, -0.0003131900000000, -0.0000407900000000 ] - [ 0.0003375800000000, 0.0001305500000000, 0.0000028500000000 ] - [ 0.0003875500000000, 0.0004097600000000, -0.0000832000000000 ] - [ 0.0006710400000000, 0.0003799100000000, 0.0002615000000000 ] - [ -0.0001255700000000, 0.0000634900000000, 0.0002549800000000 ] - [ -0.0000481800000000, 0.0009254400000000, -0.0003592000000000 ] - [ -0.0002403100000000, 0.0000566600000000, -0.0016998100000000 ] - [ 0.0000915700000000, -0.0006791300000000, 0.0017668800000000 ] - [ 0.0014192900000000, -0.0019638800000000, -0.0009864700000000 ] - [ 0.0001954500000000, -0.0010229500000000, 0.0030577500000000 ] - [ 0.0026900600000000, 0.0040244200000000, -0.0028002900000000 ] - [ -0.0002249900000000, 0.0032320500000000, 0.0079221900000000 ] - [ -0.0012161000000000, -0.0074704500000000, -0.0240276000000000 ] - [ 0.0007483800000000, -0.0002401600000000, 0.0123501600000000 ] - [ -0.0021765900000000, -0.0008241200000000, -0.0213790000000000 ] - [ 0.0011466400000000, -0.0052553400000000, 0.0092395700000000 ] - [ 0.0061591100000000, 0.0115772900000000, -0.0253404900000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013568700000000, 0.0013164700000000, 0.0000000000000000 ] - [ -0.0045827100000000, -0.0011573700000000, 0.0000000000000000 ] - [ 0.0000686100000000, -0.0005756300000000, 0.0000000000000000 ] - [ 0.0000878900000000, -0.0006750300000000, 0.0000000000000000 ] - [ -0.0000643700000000, -0.0003982400000000, 0.0000000000000000 ] - [ -0.0000193900000000, -0.0002194800000000, 0.0000000000000000 ] - [ -0.0046957900000000, -0.0014857200000000, 0.0000000000000000 ] - [ -0.0015181300000000, 0.0010457500000000, 0.0000000000000000 ] - [ 0.0046415800000000, 0.0016834000000000, 0.0000000000000000 ] - [ -0.0123954400000000, -0.0076520700000000, -0.0007901500000000 ] - [ -0.0911379500000000, -0.0301987500000000, 0.0000000000000000 ] - [ -0.0123954400000000, -0.0076520700000000, 0.0007901500000000 ] - [ 0.0209068000000000, 0.0019523400000000, -0.0096324300000000 ] - [ 0.0209068000000000, 0.0019523400000000, 0.0096324300000000 ] - [ -0.0001499500000000, -0.0004930800000000, 0.0003302600000000 ] - [ -0.0001499500000000, -0.0004930800000000, -0.0003302600000000 ] - [ -0.0008560900000000, -0.0002663100000000, -0.0002261800000000 ] - [ -0.0008560900000000, -0.0002663100000000, 0.0002261800000000 ] - [ -0.0004707600000000, -0.0003529400000000, -0.0000973300000000 ] - [ -0.0004707600000000, -0.0003529400000000, 0.0000973300000000 ] - [ -0.0000476900000000, -0.0004602900000000, 0.0000000000000000 ] - [ -0.0000290300000000, -0.0003885100000000, 0.0007339400000000 ] - [ -0.0000290300000000, -0.0003885100000000, -0.0007339400000000 ] - [ 0.0000448700000000, -0.0003858500000000, 0.0000000000000000 ] - [ 0.0005314200000000, -0.0005065000000000, 0.0001505700000000 ] - [ 0.0005314200000000, -0.0005065000000000, -0.0001505700000000 ] - [ 0.0004758900000000, -0.0004169800000000, -0.0001055900000000 ] - [ 0.0004758900000000, -0.0004169800000000, 0.0001055900000000 ] - [ 0.0011825900000000, -0.0003447700000000, 0.0006670600000000 ] - [ 0.0011825900000000, -0.0003447700000000, -0.0006670600000000 ] - [ 0.0220198600000000, 0.0019498400000000, 0.0100721900000000 ] - [ 0.0220198600000000, 0.0019498400000000, -0.0100721900000000 ] - [ 0.0001644200000000, -0.0004306700000000, 0.0000000000000000 ] - [ -0.0006643600000000, 0.0008578300000000, 0.0027843400000000 ] - [ -0.0006643600000000, 0.0008578300000000, -0.0027843400000000 ] - [ 0.0106694500000000, 0.0056799600000000, 0.0071066800000000 ] - [ 0.0106694500000000, 0.0056799600000000, -0.0071066800000000 ] - [ 0.0007580100000000, -0.0000706300000000, 0.0000000000000000 ] - [ -0.0025156600000000, 0.0027797800000000, -0.0027048800000000 ] - [ -0.0025156600000000, 0.0027797800000000, 0.0027048800000000 ] - [ -0.0006726500000000, 0.0001141000000000, 0.0000000000000000 ] - [ -0.0003691600000000, 0.0003630300000000, -0.0001294200000000 ] - [ -0.0003691600000000, 0.0003630300000000, 0.0001294200000000 ] - [ 0.0001004300000000, 0.0002343500000000, 0.0000362400000000 ] - [ 0.0001004300000000, 0.0002343500000000, -0.0000362400000000 ] - [ -0.0006432600000000, 0.0001178200000000, 0.0000000000000000 ] - [ -0.0003087100000000, 0.0000664900000000, 0.0000922300000000 ] - [ -0.0003087100000000, 0.0000664900000000, -0.0000922300000000 ] - [ 0.0000126800000000, 0.0005714800000000, 0.0000000000000000 ] - [ -0.0005392300000000, 0.0005619600000000, 0.0001021700000000 ] - [ -0.0005392300000000, 0.0005619600000000, -0.0001021700000000 ] - [ -0.0001657300000000, 0.0003177800000000, 0.0000376700000000 ] - [ -0.0001657300000000, 0.0003177800000000, -0.0000376700000000 ] - [ -0.0001165100000000, 0.0008574300000000, 0.0000000000000000 ] - [ 0.0002059000000000, -0.0002402500000000, 0.0000000000000000 ] - [ 0.0002047200000000, 0.0002701900000000, 0.0000600400000000 ] - [ 0.0002047200000000, 0.0002701900000000, -0.0000600400000000 ] - [ 0.0003974100000000, 0.0000273900000000, 0.0001354800000000 ] - [ 0.0003974100000000, 0.0000273900000000, -0.0001354800000000 ] - [ 0.0000810300000000, -0.0000217800000000, 0.0000000000000000 ] - [ 0.0003886000000000, 0.0006365900000000, 0.0000469200000000 ] - [ 0.0003886000000000, 0.0006365900000000, -0.0000469200000000 ] - [ 0.0006742600000000, 0.0003216800000000, 0.0000000000000000 ] - [ 0.0000653500000000, 0.0009379100000000, -0.0000088600000000 ] - [ 0.0000653500000000, 0.0009379100000000, 0.0000088600000000 ] - [ -0.0003981900000000, -0.0003456500000000, -0.0001799600000000 ] - [ -0.0003981900000000, -0.0003456500000000, 0.0001799600000000 ] - [ 0.0006434600000000, -0.0000882500000000, 0.0000000000000000 ] - [ -0.0018411200000000, 0.0022203100000000, 0.0027640800000000 ] - [ -0.0018411200000000, 0.0022203100000000, -0.0027640800000000 ] - [ 0.0020265100000000, -0.0002719200000000, 0.0000000000000000 ] - [ 0.0115387300000000, 0.0059945400000000, -0.0070483900000000 ] - [ 0.0115387300000000, 0.0059945400000000, 0.0070483900000000 ] - [ -0.0003042100000000, 0.0008984900000000, -0.0028573600000000 ] - [ -0.0003042100000000, 0.0008984900000000, 0.0028573600000000 ] - [ 0.0004989200000000, 0.0006877600000000, 0.0000000000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000755500000000, -0.0008344900000000, 0.0000000000000000 ] - [ -0.0003981900000000, 0.0186698900000000, 0.0000000000000000 ] - [ -0.0000482500000000, 0.0033389900000000, 0.0000000000000000 ] - [ 0.0001357300000000, 0.0043447200000000, 0.0000000000000000 ] - [ -0.0000265800000000, 0.0046214300000000, 0.0000000000000000 ] - [ -0.0001441200000000, 0.0037177200000000, 0.0000000000000000 ] - [ -0.0004714300000000, 0.0180562600000000, 0.0000000000000000 ] - [ -0.0002410300000000, -0.0010924200000000, 0.0000000000000000 ] - [ -0.0010574900000000, -0.0176656600000000, 0.0000000000000000 ] - [ -0.0073336100000000, -0.0332706700000000, -0.0007710200000000 ] - [ -0.0302224500000000, -0.1574315400000000, 0.0000000000000000 ] - [ -0.0073336100000000, -0.0332706700000000, 0.0007710200000000 ] - [ 0.0051580100000000, -0.0002409600000000, 0.0151198900000000 ] - [ 0.0051580100000000, -0.0002409600000000, -0.0151198900000000 ] - [ -0.0009988700000000, 0.0039118600000000, -0.0019181900000000 ] - [ -0.0009988700000000, 0.0039118600000000, 0.0019181900000000 ] - [ -0.0003975100000000, 0.0041443500000000, 0.0003575100000000 ] - [ -0.0003975100000000, 0.0041443500000000, -0.0003575100000000 ] - [ -0.0007795100000000, 0.0039898200000000, -0.0003855300000000 ] - [ -0.0007795100000000, 0.0039898200000000, 0.0003855300000000 ] - [ 0.0004587500000000, 0.0040852000000000, 0.0000000000000000 ] - [ 0.0002581200000000, 0.0034114800000000, 0.0007244200000000 ] - [ 0.0002581200000000, 0.0034114800000000, -0.0007244200000000 ] - [ -0.0004078300000000, 0.0034205600000000, 0.0000000000000000 ] - [ 0.0002197800000000, 0.0038334000000000, -0.0001368400000000 ] - [ 0.0002197800000000, 0.0038334000000000, 0.0001368400000000 ] - [ 0.0009373500000000, 0.0039922900000000, -0.0006791000000000 ] - [ 0.0009373500000000, 0.0039922900000000, 0.0006791000000000 ] - [ 0.0003272900000000, 0.0040698400000000, -0.0015910800000000 ] - [ 0.0003272900000000, 0.0040698400000000, 0.0015910800000000 ] - [ 0.0061817300000000, -0.0000567500000000, -0.0148218300000000 ] - [ 0.0061817300000000, -0.0000567500000000, 0.0148218300000000 ] - [ -0.0009904800000000, 0.0084398100000000, 0.0000000000000000 ] - [ -0.0028294400000000, 0.0106655800000000, -0.0059753700000000 ] - [ -0.0028294400000000, 0.0106655800000000, 0.0059753700000000 ] - [ 0.0120376800000000, 0.0327082300000000, 0.0109036100000000 ] - [ 0.0120376800000000, 0.0327082300000000, -0.0109036100000000 ] - [ -0.0049666900000000, 0.0155818300000000, 0.0000000000000000 ] - [ -0.0005288300000000, -0.0038463900000000, 0.0035431900000000 ] - [ -0.0005288300000000, -0.0038463900000000, -0.0035431900000000 ] - [ -0.0008196700000000, -0.0008627600000000, 0.0000000000000000 ] - [ 0.0004574900000000, -0.0027168700000000, 0.0013295800000000 ] - [ 0.0004574900000000, -0.0027168700000000, -0.0013295800000000 ] - [ -0.0003365300000000, -0.0034014400000000, 0.0000554700000000 ] - [ -0.0003365300000000, -0.0034014400000000, -0.0000554700000000 ] - [ -0.0009211000000000, -0.0026306300000000, 0.0000000000000000 ] - [ -0.0005980100000000, -0.0039005700000000, -0.0006445000000000 ] - [ -0.0005980100000000, -0.0039005700000000, 0.0006445000000000 ] - [ -0.0004518600000000, -0.0021714200000000, 0.0000000000000000 ] - [ 0.0001305200000000, -0.0023404300000000, 0.0002668400000000 ] - [ 0.0001305200000000, -0.0023404300000000, -0.0002668400000000 ] - [ -0.0003661600000000, -0.0025590200000000, -0.0004259600000000 ] - [ -0.0003661600000000, -0.0025590200000000, 0.0004259600000000 ] - [ -0.0005432500000000, -0.0021573400000000, 0.0000000000000000 ] - [ -0.0002077200000000, -0.0032865900000000, 0.0000000000000000 ] - [ 0.0000037400000000, -0.0026134100000000, -0.0003937300000000 ] - [ 0.0000037400000000, -0.0026134100000000, 0.0003937300000000 ] - [ 0.0010612400000000, -0.0028542300000000, -0.0000551600000000 ] - [ 0.0010612400000000, -0.0028542300000000, 0.0000551600000000 ] - [ -0.0003620800000000, -0.0027486600000000, 0.0000000000000000 ] - [ 0.0000921100000000, -0.0033516400000000, -0.0006998400000000 ] - [ 0.0000921100000000, -0.0033516400000000, 0.0006998400000000 ] - [ 0.0003841200000000, -0.0024386300000000, 0.0000000000000000 ] - [ -0.0003630500000000, -0.0027088400000000, 0.0000127400000000 ] - [ -0.0003630500000000, -0.0027088400000000, -0.0000127400000000 ] - [ 0.0004322900000000, -0.0034142300000000, 0.0012723300000000 ] - [ 0.0004322900000000, -0.0034142300000000, -0.0012723300000000 ] - [ 0.0004894000000000, -0.0010567700000000, 0.0000000000000000 ] - [ 0.0001544800000000, -0.0044204000000000, -0.0034812700000000 ] - [ 0.0001544800000000, -0.0044204000000000, 0.0034812700000000 ] - [ -0.0042627700000000, 0.0157319400000000, 0.0000000000000000 ] - [ 0.0124461600000000, 0.0326586300000000, -0.0101582300000000 ] - [ 0.0124461600000000, 0.0326586300000000, 0.0101582300000000 ] - [ -0.0024641700000000, 0.0107101300000000, 0.0059436800000000 ] - [ -0.0024641700000000, 0.0107101300000000, -0.0059436800000000 ] - [ -0.0006540500000000, 0.0095690900000000, 0.0000000000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000805300000000, 0.0001626800000000, 0.0059236300000000 ] - [ 0.0000509600000000, 0.0001693400000000, -0.0091658300000000 ] - [ 0.0000536500000000, -0.0001937400000000, 0.0003998300000000 ] - [ 0.0000783500000000, -0.0001486800000000, -0.0002866400000000 ] - [ -0.0000783500000000, 0.0001486800000000, -0.0002866400000000 ] - [ -0.0000536500000000, 0.0001937400000000, 0.0003998300000000 ] - [ -0.0000509600000000, -0.0001693400000000, -0.0091658300000000 ] - [ -0.0000805300000000, -0.0001626800000000, 0.0059236300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0165545200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0453172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2010336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0461821600000000 ] - [ 0.0116458100000000, 0.0101179700000000, -0.0050704800000000 ] - [ -0.0126562700000000, -0.0102036500000000, -0.0052494300000000 ] - [ 0.0000065900000000, -0.0024814000000000, 0.0019995000000000 ] - [ -0.0013475600000000, 0.0023464600000000, 0.0023243400000000 ] - [ -0.0004887500000000, 0.0007411900000000, -0.0005855500000000 ] - [ -0.0008517300000000, -0.0006072900000000, -0.0002548300000000 ] - [ -0.0004899900000000, 0.0002203000000000, -0.0000940400000000 ] - [ -0.0005087500000000, -0.0000747200000000, 0.0001521600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006909900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624200000000 ] - [ 0.0005087500000000, 0.0000747200000000, 0.0001521600000000 ] - [ 0.0004899900000000, -0.0002203000000000, -0.0000940400000000 ] - [ 0.0004887500000000, -0.0007411900000000, -0.0005855500000000 ] - [ 0.0008517300000000, 0.0006072900000000, -0.0002548300000000 ] - [ 0.0013475600000000, -0.0023464600000000, 0.0023243400000000 ] - [ -0.0000065900000000, 0.0024814000000000, 0.0019995000000000 ] - [ -0.0116458100000000, -0.0101179700000000, -0.0050704800000000 ] - [ 0.0126562700000000, 0.0102036500000000, -0.0052494300000000 ] - [ -0.0001660700000000, -0.0005728600000000, -0.0120606800000000 ] - [ 0.0000405500000000, -0.0019584800000000, -0.0080361900000000 ] - [ -0.0003673900000000, 0.0018703300000000, -0.0080098400000000 ] - [ 0.0060266000000000, 0.0139554700000000, 0.0315274200000000 ] - [ -0.0060862300000000, -0.0131210800000000, 0.0303166400000000 ] - [ -0.0000051200000000, -0.0003242800000000, 0.0223387000000000 ] - [ 0.0023885000000000, 0.0056362100000000, 0.0010542400000000 ] - [ -0.0030933000000000, -0.0050432400000000, 0.0010380600000000 ] - [ -0.0006625700000000, 0.0001069600000000, -0.0019160900000000 ] - [ -0.0002936800000000, 0.0010989300000000, 0.0000552200000000 ] - [ 0.0003453500000000, -0.0003577400000000, 0.0000082000000000 ] - [ -0.0000322800000000, -0.0012261300000000, -0.0000956300000000 ] - [ 0.0000811500000000, 0.0004834600000000, -0.0001486800000000 ] - [ -0.0006630900000000, -0.0001088800000000, 0.0005716900000000 ] - [ -0.0004090700000000, -0.0006120700000000, -0.0000777800000000 ] - [ -0.0002956400000000, 0.0000255100000000, -0.0001099200000000 ] - [ -0.0000424100000000, 0.0002895700000000, -0.0000548300000000 ] - [ -0.0004601300000000, 0.0002248200000000, 0.0000809700000000 ] - [ -0.0004750900000000, 0.0002872200000000, -0.0001306800000000 ] - [ -0.0001731900000000, 0.0000446700000000, 0.0000076700000000 ] - [ -0.0001926000000000, -0.0000025400000000, 0.0000386000000000 ] - [ -0.0001644300000000, 0.0005510600000000, 0.0000338000000000 ] - [ 0.0001644300000000, -0.0005510600000000, 0.0000338000000000 ] - [ 0.0001926000000000, 0.0000025400000000, 0.0000386000000000 ] - [ 0.0001731900000000, -0.0000446700000000, 0.0000076700000000 ] - [ 0.0004601300000000, -0.0002248200000000, 0.0000809700000000 ] - [ 0.0004750900000000, -0.0002872200000000, -0.0001306800000000 ] - [ 0.0000424100000000, -0.0002895700000000, -0.0000548300000000 ] - [ 0.0002956400000000, -0.0000255100000000, -0.0001099200000000 ] - [ 0.0004090700000000, 0.0006120700000000, -0.0000777800000000 ] - [ 0.0006630900000000, 0.0001088800000000, 0.0005716900000000 ] - [ -0.0000811500000000, -0.0004834600000000, -0.0001486800000000 ] - [ 0.0000322800000000, 0.0012261300000000, -0.0000956300000000 ] - [ -0.0003453500000000, 0.0003577400000000, 0.0000082000000000 ] - [ 0.0002936800000000, -0.0010989300000000, 0.0000552200000000 ] - [ 0.0006625700000000, -0.0001069600000000, -0.0019160900000000 ] - [ -0.0023885000000000, -0.0056362100000000, 0.0010542400000000 ] - [ 0.0030933000000000, 0.0050432400000000, 0.0010380600000000 ] - [ 0.0000051200000000, 0.0003242800000000, 0.0223387000000000 ] - [ -0.0060266000000000, -0.0139554700000000, 0.0315274200000000 ] - [ 0.0060862300000000, 0.0131210800000000, 0.0303166400000000 ] - [ -0.0000405500000000, 0.0019584800000000, -0.0080361900000000 ] - [ 0.0003673900000000, -0.0018703300000000, -0.0080098400000000 ] - [ 0.0001660700000000, 0.0005728600000000, -0.0120606800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047447000000000, 0.0021142000000000, 0.0016829500000000 ] - [ 0.0140626000000000, 0.0015579800000000, 0.0003869000000000 ] - [ 0.0000352400000000, 0.0000905600000000, -0.0000767200000000 ] - [ 0.0000735100000000, 0.0001541000000000, 0.0000526700000000 ] - [ -0.0000795400000000, 0.0004556300000000, 0.0000153100000000 ] - [ -0.0000635900000000, 0.0004246400000000, -0.0000225800000000 ] - [ 0.0002478000000000, 0.0001714400000000, 0.0002787200000000 ] - [ 0.0004919600000000, -0.0003028700000000, -0.0004215500000000 ] - [ -0.0094767600000000, -0.0065983000000000, 0.0036216100000000 ] - [ 0.0248195500000000, 0.0061270000000000, -0.0126749100000000 ] - [ 0.0213994700000000, 0.0056156800000000, 0.0120904900000000 ] - [ 0.0040058400000000, 0.0007585000000000, 0.0008091200000000 ] - [ -0.2136665500000000, -0.0028202600000000, -0.0306680600000000 ] - [ -0.0111345700000000, 0.0025055900000000, -0.0040794000000000 ] - [ -0.0007552600000000, 0.0004307500000000, -0.0004869100000000 ] - [ -0.0001734300000000, -0.0024072800000000, 0.0001495900000000 ] - [ -0.0006935500000000, 0.0000490600000000, -0.0002040600000000 ] - [ -0.0006431400000000, 0.0004563200000000, 0.0003672300000000 ] - [ -0.0005263300000000, 0.0003071200000000, -0.0001518000000000 ] - [ -0.0005217700000000, 0.0003748300000000, 0.0001407800000000 ] - [ 0.0000270600000000, 0.0002780700000000, -0.0000106300000000 ] - [ 0.0000124400000000, 0.0002259000000000, 0.0007343000000000 ] - [ 0.0000193600000000, 0.0002320900000000, -0.0007240200000000 ] - [ -0.0000325000000000, 0.0002264000000000, 0.0000091600000000 ] - [ 0.0004788900000000, 0.0001782500000000, 0.0001054500000000 ] - [ 0.0004814500000000, 0.0001914400000000, -0.0001095000000000 ] - [ 0.0007357600000000, 0.0002168700000000, -0.0001729000000000 ] - [ 0.0007063400000000, 0.0001405800000000, 0.0002134200000000 ] - [ 0.0004719300000000, 0.0005550400000000, -0.0001653800000000 ] - [ 0.0005862200000000, 0.0002513300000000, -0.0000916600000000 ] - [ -0.0030621900000000, -0.0004784700000000, -0.0002170800000000 ] - [ -0.0012967800000000, -0.0013601300000000, 0.0013335800000000 ] - [ -0.0002075500000000, -0.0016858100000000, 0.0050196700000000 ] - [ 0.0423862000000000, -0.0194978000000000, 0.0559990600000000 ] - [ -0.0006907200000000, 0.0005914600000000, 0.0003688600000000 ] - [ 0.0889965100000000, 0.0219935900000000, 0.0065585100000000 ] - [ 0.0007891100000000, 0.0003782600000000, -0.0046967900000000 ] - [ 0.0267553500000000, -0.0103869000000000, -0.0346054500000000 ] - [ 0.0008145400000000, -0.0019731900000000, 0.0007198700000000 ] - [ 0.0093106200000000, 0.0073834400000000, -0.0012629000000000 ] - [ -0.0005758600000000, -0.0001005800000000, 0.0004103200000000 ] - [ 0.0003348500000000, -0.0001006300000000, -0.0005150000000000 ] - [ 0.0012812500000000, 0.0003544700000000, -0.0000414400000000 ] - [ -0.0002017100000000, -0.0004492300000000, -0.0000115300000000 ] - [ -0.0000602000000000, -0.0007934100000000, -0.0000442000000000 ] - [ -0.0006131600000000, -0.0001468100000000, -0.0001534800000000 ] - [ -0.0003779600000000, -0.0004351400000000, 0.0000236600000000 ] - [ -0.0003766800000000, -0.0005823100000000, 0.0000177500000000 ] - [ -0.0000713700000000, 0.0001219000000000, 0.0000213800000000 ] - [ -0.0004342600000000, 0.0000955100000000, 0.0001295100000000 ] - [ -0.0004160800000000, 0.0000717300000000, -0.0001208100000000 ] - [ -0.0002043000000000, -0.0001574600000000, -0.0000573600000000 ] - [ -0.0001912600000000, -0.0001399800000000, 0.0000362900000000 ] - [ -0.0001939900000000, 0.0003759300000000, -0.0000026100000000 ] - [ 0.0001356600000000, -0.0007330500000000, -0.0000018200000000 ] - [ 0.0001647900000000, -0.0002001000000000, -0.0000182100000000 ] - [ 0.0001704100000000, -0.0001963700000000, 0.0000103400000000 ] - [ 0.0005041400000000, -0.0004398500000000, 0.0001026100000000 ] - [ 0.0005014600000000, -0.0004368600000000, -0.0000998300000000 ] - [ 0.0000131700000000, -0.0004560600000000, 0.0000074500000000 ] - [ 0.0003262100000000, 0.0000533000000000, -0.0000688000000000 ] - [ 0.0003199800000000, 0.0000273900000000, 0.0000781000000000 ] - [ 0.0006316400000000, -0.0000408000000000, -0.0000276200000000 ] - [ -0.0000439400000000, 0.0001399900000000, -0.0000188000000000 ] - [ -0.0000525800000000, 0.0000422600000000, 0.0000367000000000 ] - [ 0.0000760200000000, -0.0005343700000000, 0.0000470700000000 ] - [ 0.0000591000000000, -0.0004769000000000, 0.0000039900000000 ] - [ 0.0005893700000000, -0.0001582300000000, 0.0001091000000000 ] - [ 0.0006188200000000, -0.0006855600000000, -0.0004512200000000 ] - [ 0.0002832900000000, -0.0013733600000000, 0.0001281800000000 ] - [ 0.0028003100000000, -0.0026222800000000, -0.0028037900000000 ] - [ -0.0065577300000000, -0.0012725500000000, 0.0010207800000000 ] - [ -0.0001906200000000, 0.0023951600000000, 0.0003291400000000 ] - [ 0.0041854400000000, -0.0021643400000000, 0.0037926500000000 ] - [ 0.0007757800000000, -0.0000895200000000, -0.0000327000000000 ] - [ -0.0026381900000000, 0.0041830100000000, -0.0016507100000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0046277900000000, -0.0017923000000000, -0.0016475700000000 ] - [ -0.0139680000000000, -0.0010251900000000, -0.0005402800000000 ] - [ 0.0000710200000000, -0.0004658100000000, 0.0000745200000000 ] - [ 0.0000766000000000, -0.0004555700000000, -0.0000513800000000 ] - [ -0.0000728800000000, -0.0001609800000000, -0.0000172400000000 ] - [ -0.0000418600000000, -0.0000566300000000, 0.0000234800000000 ] - [ -0.0003576100000000, -0.0005445100000000, -0.0002817600000000 ] - [ -0.0006484600000000, 0.0000034100000000, 0.0004218800000000 ] - [ 0.0095102400000000, 0.0066257100000000, -0.0036472500000000 ] - [ -0.0249347600000000, -0.0063133300000000, 0.0113623200000000 ] - [ -0.0215263100000000, -0.0057236300000000, -0.0122108200000000 ] - [ -0.0040354200000000, -0.0007758200000000, 0.0006639500000000 ] - [ 0.2190693400000000, 0.0067249100000000, 0.0309884500000000 ] - [ 0.0101703400000000, -0.0026504600000000, 0.0038965000000000 ] - [ -0.0005710400000000, -0.0005754900000000, 0.0001406800000000 ] - [ -0.0011258100000000, 0.0022435600000000, 0.0001855200000000 ] - [ -0.0006560800000000, 0.0000962500000000, -0.0001323600000000 ] - [ -0.0006998600000000, -0.0003073200000000, -0.0000315300000000 ] - [ -0.0004827800000000, -0.0001534700000000, -0.0000977600000000 ] - [ -0.0004879400000000, -0.0002197700000000, 0.0001088000000000 ] - [ -0.0000299700000000, -0.0002807900000000, 0.0000108000000000 ] - [ -0.0000180400000000, -0.0002273600000000, 0.0007347100000000 ] - [ -0.0000158300000000, -0.0002339300000000, -0.0007443500000000 ] - [ 0.0000299400000000, -0.0002282700000000, -0.0000093100000000 ] - [ 0.0005245200000000, -0.0003360700000000, 0.0001447500000000 ] - [ 0.0005234000000000, -0.0003497800000000, -0.0001395200000000 ] - [ 0.0005968400000000, -0.0003639500000000, -0.0001655700000000 ] - [ 0.0006243100000000, -0.0002873400000000, 0.0001228500000000 ] - [ 0.0008596800000000, -0.0004126200000000, 0.0005023900000000 ] - [ 0.0007474500000000, -0.0001104200000000, -0.0002463500000000 ] - [ 0.0040790400000000, 0.0006645400000000, 0.0004649500000000 ] - [ 0.0023093200000000, 0.0015209600000000, -0.0015869400000000 ] - [ -0.0000997600000000, 0.0006001600000000, -0.0050573100000000 ] - [ -0.0423427400000000, 0.0187706600000000, -0.0542243000000000 ] - [ 0.0003232000000000, -0.0006510800000000, -0.0003398900000000 ] - [ -0.0965121400000000, -0.0248274900000000, -0.0074256600000000 ] - [ -0.0017003500000000, -0.0009028200000000, 0.0049516000000000 ] - [ -0.0266222500000000, 0.0095027900000000, 0.0334241400000000 ] - [ -0.0015062100000000, 0.0025221100000000, -0.0006658400000000 ] - [ -0.0100937500000000, -0.0075748000000000, 0.0011875900000000 ] - [ -0.0007449600000000, 0.0003077400000000, -0.0003880200000000 ] - [ -0.0003238600000000, 0.0007935100000000, 0.0005767400000000 ] - [ -0.0012659000000000, 0.0003215500000000, -0.0000097700000000 ] - [ 0.0002294400000000, -0.0002205500000000, 0.0000603700000000 ] - [ 0.0000933500000000, 0.0001013900000000, 0.0000000400000000 ] - [ -0.0007033000000000, -0.0000560700000000, 0.0001418600000000 ] - [ -0.0003132900000000, -0.0001074400000000, 0.0000347300000000 ] - [ -0.0003198700000000, 0.0000335000000000, -0.0000695000000000 ] - [ -0.0000227400000000, 0.0004644700000000, -0.0000168800000000 ] - [ -0.0004906200000000, 0.0004381700000000, 0.0000947700000000 ] - [ -0.0005040200000000, 0.0004584900000000, -0.0001013000000000 ] - [ -0.0001707300000000, 0.0002096600000000, 0.0000171900000000 ] - [ -0.0001815000000000, 0.0001930200000000, -0.0000039500000000 ] - [ -0.0001280400000000, 0.0007267500000000, 0.0000008200000000 ] - [ 0.0001816100000000, -0.0003677100000000, -0.0000002800000000 ] - [ 0.0002022800000000, 0.0001491600000000, 0.0000499700000000 ] - [ 0.0001972400000000, 0.0001448100000000, -0.0000452200000000 ] - [ 0.0004176900000000, -0.0000912100000000, 0.0001212300000000 ] - [ 0.0004186000000000, -0.0000934600000000, -0.0001226100000000 ] - [ 0.0000734900000000, -0.0001282600000000, -0.0000058700000000 ] - [ 0.0003633900000000, 0.0004953300000000, 0.0000144900000000 ] - [ 0.0003673000000000, 0.0005181300000000, -0.0000180400000000 ] - [ 0.0006814700000000, 0.0002412200000000, 0.0000209600000000 ] - [ 0.0000117200000000, 0.0005551700000000, -0.0000274100000000 ] - [ 0.0000313400000000, 0.0006644100000000, 0.0000130300000000 ] - [ -0.0001139400000000, -0.0001575000000000, -0.0000923300000000 ] - [ -0.0000840700000000, -0.0002213700000000, 0.0000442100000000 ] - [ 0.0007243600000000, -0.0000412700000000, -0.0001199200000000 ] - [ 0.0000675900000000, 0.0001472700000000, 0.0005099000000000 ] - [ 0.0004057300000000, 0.0008249800000000, -0.0001821500000000 ] - [ -0.0027378100000000, 0.0032337100000000, 0.0028223500000000 ] - [ 0.0074775200000000, 0.0017824400000000, -0.0012440100000000 ] - [ 0.0011169200000000, -0.0018753900000000, -0.0001158900000000 ] - [ -0.0038430000000000, 0.0022397400000000, -0.0038409700000000 ] - [ -0.0004165300000000, 0.0001520500000000, 0.0000639800000000 ] - [ 0.0029655300000000, -0.0031045000000000, 0.0016705900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023413700000000, -0.0144785600000000, 0.0067218100000000 ] - [ 0.0022108500000000, -0.0075427000000000, -0.0150829500000000 ] - [ -0.0001071100000000, 0.0031985400000000, 0.0016982900000000 ] - [ -0.0000132100000000, 0.0042781700000000, -0.0012075100000000 ] - [ -0.0000407100000000, 0.0043509200000000, 0.0000309700000000 ] - [ -0.0001544300000000, 0.0037118900000000, -0.0000459000000000 ] - [ 0.0002954600000000, 0.0037361000000000, 0.0010321400000000 ] - [ 0.0003565500000000, 0.0035597500000000, -0.0012445100000000 ] - [ -0.0002587000000000, -0.0001699800000000, -0.0121917600000000 ] - [ 0.0009303500000000, 0.0024168700000000, -0.0101389100000000 ] - [ 0.0019298400000000, -0.0000740300000000, 0.0101374600000000 ] - [ 0.0001599900000000, -0.0031777000000000, -0.0004363400000000 ] - [ -0.0054322600000000, -0.2112595900000000, 0.0210834200000000 ] - [ 0.0020807600000000, -0.0160125500000000, 0.0024149100000000 ] - [ -0.0008047900000000, -0.0017157500000000, 0.0037020900000000 ] - [ -0.0071365500000000, 0.0197088800000000, 0.0141302000000000 ] - [ 0.0015599700000000, 0.0066400100000000, -0.0016748300000000 ] - [ -0.0002282000000000, 0.0006265700000000, -0.0015795700000000 ] - [ -0.0007332700000000, 0.0043767000000000, -0.0002687400000000 ] - [ -0.0008005400000000, 0.0031344700000000, 0.0004829200000000 ] - [ 0.0004282300000000, 0.0039051600000000, 0.0001478600000000 ] - [ 0.0002629800000000, 0.0033295800000000, 0.0006629900000000 ] - [ 0.0002175700000000, 0.0031647900000000, -0.0008078900000000 ] - [ -0.0003922500000000, 0.0032312000000000, -0.0001211100000000 ] - [ 0.0002453600000000, 0.0036071900000000, -0.0001286700000000 ] - [ 0.0002328300000000, 0.0036900000000000, 0.0001534100000000 ] - [ 0.0009654600000000, 0.0038095500000000, -0.0003418100000000 ] - [ 0.0008918200000000, 0.0036309400000000, 0.0004483700000000 ] - [ 0.0002624800000000, 0.0042071800000000, -0.0005358400000000 ] - [ 0.0005243700000000, 0.0034642800000000, -0.0001295800000000 ] - [ -0.0000599600000000, 0.0158198400000000, 0.0009697000000000 ] - [ -0.0009266800000000, 0.0020523900000000, 0.0030987500000000 ] - [ -0.0013421900000000, 0.0058842000000000, 0.0037887700000000 ] - [ -0.0213311100000000, 0.0258030000000000, -0.0280514800000000 ] - [ -0.0007144800000000, 0.0055058200000000, 0.0013614500000000 ] - [ 0.0280620800000000, 0.0253305700000000, 0.0013080100000000 ] - [ 0.0004641300000000, 0.0059656100000000, -0.0020610000000000 ] - [ -0.0120542100000000, 0.0219585800000000, 0.0114962600000000 ] - [ -0.0010696800000000, 0.0098023400000000, 0.0026091800000000 ] - [ 0.0040579300000000, 0.1264655800000000, -0.0006613500000000 ] - [ -0.0008092500000000, -0.0001164800000000, -0.0104413000000000 ] - [ 0.0005478700000000, 0.0011368400000000, 0.0006093200000000 ] - [ 0.0037797600000000, -0.0043329900000000, -0.0018313500000000 ] - [ -0.0008665600000000, -0.0085445100000000, -0.0005727700000000 ] - [ -0.0001273900000000, -0.0006868500000000, -0.0004110400000000 ] - [ -0.0011764400000000, -0.0016519200000000, 0.0023998500000000 ] - [ -0.0008742700000000, -0.0047307800000000, -0.0009087600000000 ] - [ -0.0003803100000000, -0.0024065600000000, 0.0002170500000000 ] - [ -0.0004027200000000, -0.0020590500000000, -0.0002814400000000 ] - [ 0.0001941300000000, -0.0024103700000000, 0.0001739600000000 ] - [ -0.0000293900000000, -0.0020485500000000, -0.0003479800000000 ] - [ -0.0002549400000000, -0.0023025400000000, -0.0002435900000000 ] - [ -0.0003942000000000, -0.0025692900000000, 0.0005270300000000 ] - [ -0.0005488400000000, -0.0020231500000000, 0.0000913900000000 ] - [ -0.0001856700000000, -0.0031189500000000, 0.0000556900000000 ] - [ 0.0000057900000000, -0.0025064900000000, -0.0003816200000000 ] - [ -0.0000008400000000, -0.0024596900000000, 0.0004029900000000 ] - [ 0.0010608900000000, -0.0027837700000000, -0.0000705400000000 ] - [ 0.0010048600000000, -0.0026994000000000, 0.0000423700000000 ] - [ -0.0003325100000000, -0.0026371500000000, -0.0000264200000000 ] - [ 0.0001123200000000, -0.0031357500000000, -0.0006200800000000 ] - [ 0.0000986300000000, -0.0032357000000000, 0.0006449200000000 ] - [ 0.0003914400000000, -0.0020556400000000, -0.0000707700000000 ] - [ -0.0003894000000000, -0.0024214700000000, 0.0002252700000000 ] - [ -0.0004112600000000, -0.0026797700000000, -0.0001821200000000 ] - [ 0.0004679400000000, -0.0033018700000000, -0.0001161100000000 ] - [ 0.0003406700000000, -0.0031594800000000, 0.0002119700000000 ] - [ 0.0008371200000000, -0.0020745900000000, 0.0002964300000000 ] - [ 0.0008461600000000, -0.0030082700000000, -0.0011127400000000 ] - [ 0.0006431500000000, -0.0047731700000000, 0.0005569600000000 ] - [ -0.0005816500000000, -0.0029960300000000, -0.0036633700000000 ] - [ 0.0027875300000000, -0.0023875400000000, -0.0012722600000000 ] - [ 0.0007448700000000, 0.0014049400000000, -0.0012733500000000 ] - [ -0.0016255400000000, -0.0034853500000000, 0.0041174700000000 ] - [ 0.0000655100000000, 0.0007785000000000, 0.0002631200000000 ] - [ 0.0005824700000000, 0.0015470600000000, 0.0022226300000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021772200000000, 0.0147194600000000, -0.0067169400000000 ] - [ -0.0020975500000000, 0.0078658800000000, 0.0150204600000000 ] - [ 0.0002119700000000, -0.0035888300000000, -0.0017003600000000 ] - [ 0.0001703500000000, -0.0045856200000000, 0.0012098200000000 ] - [ -0.0001156200000000, -0.0040609500000000, -0.0000325900000000 ] - [ 0.0000483600000000, -0.0033336400000000, 0.0000476100000000 ] - [ -0.0004069400000000, -0.0041322200000000, -0.0010440000000000 ] - [ -0.0005222400000000, -0.0038610400000000, 0.0012575100000000 ] - [ 0.0002928300000000, 0.0002818600000000, 0.0122506000000000 ] - [ -0.0009802400000000, -0.0022595600000000, 0.0087278800000000 ] - [ -0.0019728300000000, 0.0002279000000000, -0.0101833700000000 ] - [ -0.0001628700000000, 0.0032369700000000, 0.0018978200000000 ] - [ 0.0040873500000000, 0.2021499100000000, -0.0211589800000000 ] - [ -0.0030703500000000, 0.0158327800000000, -0.0025771300000000 ] - [ -0.0005376800000000, 0.0015782500000000, -0.0040146300000000 ] - [ 0.0058241700000000, -0.0196600600000000, -0.0138264600000000 ] - [ -0.0029102200000000, -0.0064950100000000, 0.0013411600000000 ] - [ -0.0011101600000000, -0.0004943900000000, 0.0019087300000000 ] - [ -0.0002667600000000, -0.0042340800000000, 0.0000204400000000 ] - [ -0.0001985600000000, -0.0029921500000000, -0.0002344000000000 ] - [ -0.0004294300000000, -0.0039117000000000, -0.0001497000000000 ] - [ -0.0002670000000000, -0.0033351600000000, 0.0007939400000000 ] - [ -0.0002129100000000, -0.0031721100000000, -0.0006463400000000 ] - [ 0.0003916400000000, -0.0032370000000000, 0.0001216100000000 ] - [ 0.0007500100000000, -0.0037623700000000, 0.0003783900000000 ] - [ 0.0007676400000000, -0.0038454400000000, -0.0004002500000000 ] - [ 0.0003688200000000, -0.0039556800000000, 0.0000149700000000 ] - [ 0.0004420900000000, -0.0037759800000000, -0.0001215100000000 ] - [ 0.0010749300000000, -0.0040805200000000, 0.0008691600000000 ] - [ 0.0008101900000000, -0.0033284100000000, -0.0001954000000000 ] - [ 0.0010780100000000, -0.0158416800000000, -0.0007284500000000 ] - [ 0.0019479700000000, -0.0018904900000000, -0.0033843600000000 ] - [ 0.0010085700000000, -0.0070315700000000, -0.0037639800000000 ] - [ 0.0210774000000000, -0.0255089400000000, 0.0282008500000000 ] - [ 0.0003570400000000, -0.0055650100000000, -0.0013522500000000 ] - [ -0.0290591700000000, -0.0255783900000000, -0.0015368200000000 ] - [ -0.0013976200000000, -0.0064874600000000, 0.0022394900000000 ] - [ 0.0119037700000000, -0.0223208600000000, -0.0113867400000000 ] - [ 0.0003835300000000, -0.0092275700000000, -0.0025219500000000 ] - [ -0.0043641200000000, -0.1180051900000000, 0.0006431700000000 ] - [ -0.0004955400000000, 0.0002978100000000, 0.0104071200000000 ] - [ -0.0005209600000000, -0.0004362100000000, -0.0005626700000000 ] - [ -0.0037456400000000, 0.0050018200000000, 0.0017883900000000 ] - [ 0.0008948300000000, 0.0079094500000000, 0.0006279700000000 ] - [ 0.0001512300000000, -0.0000066000000000, 0.0003610400000000 ] - [ -0.0001272900000000, 0.0014638300000000, -0.0023956900000000 ] - [ 0.0001892600000000, 0.0041820300000000, 0.0009725100000000 ] - [ -0.0003051600000000, 0.0018670800000000, -0.0002862700000000 ] - [ 0.0003148800000000, 0.0026287200000000, 0.0002861600000000 ] - [ -0.0011332200000000, 0.0029269100000000, 0.0000407500000000 ] - [ -0.0009063000000000, 0.0025660600000000, 0.0001369400000000 ] - [ -0.0001073800000000, 0.0023585000000000, 0.0002201500000000 ] - [ 0.0000353700000000, 0.0026230900000000, -0.0005100100000000 ] - [ 0.0002099600000000, 0.0031424900000000, -0.0000929100000000 ] - [ 0.0005247600000000, 0.0020123300000000, -0.0000579100000000 ] - [ 0.0003534700000000, 0.0024628400000000, 0.0004018400000000 ] - [ 0.0003595900000000, 0.0024138900000000, -0.0004261300000000 ] - [ -0.0001285100000000, 0.0022779700000000, 0.0002856600000000 ] - [ -0.0000666300000000, 0.0021936800000000, -0.0002543000000000 ] - [ 0.0004229000000000, 0.0020782900000000, 0.0000264300000000 ] - [ 0.0005734500000000, 0.0036956800000000, 0.0005585800000000 ] - [ 0.0005847000000000, 0.0037897100000000, -0.0005760600000000 ] - [ 0.0009132000000000, 0.0022523900000000, 0.0000640900000000 ] - [ 0.0003618500000000, 0.0031191100000000, -0.0002713600000000 ] - [ 0.0003905900000000, 0.0033815500000000, 0.0002289500000000 ] - [ -0.0004962700000000, 0.0026185700000000, 0.0000697000000000 ] - [ -0.0003633600000000, 0.0024698700000000, -0.0001653400000000 ] - [ 0.0004675500000000, 0.0018850800000000, -0.0002982700000000 ] - [ -0.0001649900000000, 0.0024587700000000, 0.0011823400000000 ] - [ 0.0000365500000000, 0.0042456800000000, -0.0006260100000000 ] - [ 0.0006809900000000, 0.0035644800000000, 0.0037052000000000 ] - [ -0.0018929400000000, 0.0028589300000000, 0.0010685800000000 ] - [ 0.0001877900000000, -0.0009348900000000, 0.0014939200000000 ] - [ 0.0020087700000000, 0.0035337000000000, -0.0041935700000000 ] - [ 0.0002962400000000, -0.0007571000000000, -0.0002455800000000 ] - [ -0.0002409000000000, -0.0004794800000000, -0.0022312500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026299300000000, 0.0095175300000000, 0.0087236000000000 ] - [ -0.0028735700000000, -0.0118788600000000, -0.0010822400000000 ] - [ 0.0000548500000000, -0.0001050800000000, 0.0002550200000000 ] - [ 0.0000649700000000, -0.0005625500000000, -0.0001906300000000 ] - [ -0.0000770100000000, -0.0001251900000000, -0.0000318500000000 ] - [ -0.0000420600000000, -0.0001303000000000, 0.0000436300000000 ] - [ 0.0000626200000000, 0.0008263800000000, -0.0007784700000000 ] - [ 0.0001853500000000, -0.0024045900000000, 0.0009237800000000 ] - [ -0.0023754500000000, -0.0133089000000000, 0.0219938600000000 ] - [ 0.0096162300000000, -0.0120494600000000, -0.0090006800000000 ] - [ -0.0098574700000000, 0.0149542500000000, -0.0051327800000000 ] - [ -0.0006769400000000, 0.0011349900000000, 0.0144626300000000 ] - [ -0.0346204300000000, 0.0228523400000000, -0.2169687500000000 ] - [ 0.0035147700000000, -0.0025854600000000, 0.0317028700000000 ] - [ 0.0004410600000000, -0.0025495100000000, 0.0044169700000000 ] - [ -0.0003974200000000, 0.0048797500000000, -0.0002688000000000 ] - [ -0.0007308000000000, 0.0003077800000000, -0.0008518500000000 ] - [ -0.0009311100000000, -0.0007975900000000, 0.0003158900000000 ] - [ -0.0004748200000000, -0.0000698800000000, -0.0001243800000000 ] - [ -0.0004854000000000, -0.0002819400000000, 0.0001628300000000 ] - [ -0.0000265900000000, -0.0002625100000000, 0.0000300000000000 ] - [ -0.0000177700000000, -0.0002269200000000, 0.0006886000000000 ] - [ -0.0000194600000000, -0.0002491600000000, -0.0007170500000000 ] - [ 0.0000226700000000, -0.0002442900000000, -0.0000243500000000 ] - [ 0.0005211300000000, -0.0003300800000000, 0.0001608700000000 ] - [ 0.0005167900000000, -0.0003552600000000, -0.0001503300000000 ] - [ 0.0006409300000000, -0.0003864800000000, -0.0002840200000000 ] - [ 0.0006947300000000, -0.0002595800000000, 0.0001959700000000 ] - [ 0.0007161700000000, -0.0004164600000000, -0.0001394100000000 ] - [ 0.0005055600000000, 0.0001300700000000, 0.0006513400000000 ] - [ 0.0008476400000000, -0.0007489900000000, -0.0088390900000000 ] - [ 0.0019638300000000, 0.0033137600000000, 0.0041274600000000 ] - [ 0.0018903200000000, 0.0027031900000000, -0.0098841800000000 ] - [ 0.0507913400000000, -0.0285007000000000, 0.0932367200000000 ] - [ 0.0004663400000000, -0.0023234600000000, -0.0129070900000000 ] - [ 0.0083662300000000, 0.0018787000000000, 0.0240560900000000 ] - [ -0.0015645500000000, -0.0031192100000000, -0.0082877000000000 ] - [ -0.0274563300000000, 0.0121783200000000, 0.0670211000000000 ] - [ -0.0013342900000000, 0.0060250000000000, -0.0055652400000000 ] - [ -0.0022084000000000, -0.0040743600000000, 0.0134778300000000 ] - [ -0.0004057000000000, -0.0022569400000000, -0.0015463500000000 ] - [ -0.0005875200000000, 0.0008001800000000, -0.0026904200000000 ] - [ 0.0000224400000000, -0.0000940500000000, 0.0020922100000000 ] - [ -0.0001483800000000, -0.0001344900000000, 0.0000809400000000 ] - [ 0.0000192400000000, 0.0007392700000000, -0.0005093500000000 ] - [ -0.0006797500000000, 0.0004260800000000, 0.0003899000000000 ] - [ -0.0003358600000000, -0.0002719600000000, 0.0001048600000000 ] - [ -0.0002581100000000, 0.0001533600000000, -0.0002201300000000 ] - [ -0.0000000400000000, 0.0004176500000000, -0.0000506900000000 ] - [ -0.0004832500000000, 0.0003863900000000, 0.0001158600000000 ] - [ -0.0005254000000000, 0.0004469600000000, -0.0001403800000000 ] - [ -0.0001604400000000, 0.0002358500000000, 0.0000193000000000 ] - [ -0.0001889200000000, 0.0001854400000000, 0.0000322600000000 ] - [ -0.0001365900000000, 0.0007777900000000, 0.0000164500000000 ] - [ 0.0001887300000000, -0.0003747100000000, 0.0000125100000000 ] - [ 0.0001983000000000, 0.0001539500000000, 0.0000589800000000 ] - [ 0.0001895700000000, 0.0001520300000000, -0.0000458600000000 ] - [ 0.0004246900000000, -0.0000812100000000, 0.0001306800000000 ] - [ 0.0004231000000000, -0.0000808700000000, -0.0001364200000000 ] - [ 0.0000712200000000, -0.0001101600000000, -0.0000123600000000 ] - [ 0.0003450400000000, 0.0004827100000000, -0.0000226600000000 ] - [ 0.0003593700000000, 0.0005387900000000, 0.0000050700000000 ] - [ 0.0006768500000000, 0.0001779300000000, 0.0000529700000000 ] - [ 0.0000271800000000, 0.0004014900000000, -0.0001362100000000 ] - [ 0.0000443000000000, 0.0005989000000000, 0.0001066500000000 ] - [ -0.0000315700000000, -0.0000714300000000, 0.0004301200000000 ] - [ 0.0000607500000000, -0.0001734600000000, -0.0004981800000000 ] - [ 0.0004631500000000, 0.0004904800000000, -0.0002306700000000 ] - [ 0.0001035400000000, -0.0011229600000000, -0.0006857100000000 ] - [ 0.0001894600000000, 0.0001531400000000, 0.0010075300000000 ] - [ -0.0012784600000000, -0.0039714800000000, 0.0013298400000000 ] - [ 0.0001074600000000, 0.0002597300000000, 0.0081060000000000 ] - [ 0.0002152600000000, -0.0048069700000000, -0.0042346200000000 ] - [ 0.0037977700000000, 0.0055378900000000, 0.0025488900000000 ] - [ -0.0002115800000000, 0.0009145400000000, -0.0044077500000000 ] - [ -0.0008394700000000, 0.0067648200000000, -0.0064914500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0024497400000000, -0.0091698000000000, -0.0087230300000000 ] - [ 0.0029867000000000, 0.0122739000000000, 0.0011726400000000 ] - [ 0.0000513100000000, -0.0002694200000000, -0.0002619500000000 ] - [ 0.0000880700000000, 0.0002584800000000, 0.0001988000000000 ] - [ -0.0000758000000000, 0.0004214500000000, 0.0000333400000000 ] - [ -0.0000622900000000, 0.0005042200000000, -0.0000428400000000 ] - [ -0.0001685500000000, -0.0012025900000000, 0.0007823100000000 ] - [ -0.0003406800000000, 0.0020965400000000, -0.0009253700000000 ] - [ 0.0024346300000000, 0.0131616100000000, -0.0218683000000000 ] - [ -0.0096275400000000, 0.0120287900000000, 0.0074762300000000 ] - [ 0.0098466200000000, -0.0149842400000000, 0.0051853700000000 ] - [ 0.0006497600000000, -0.0011848700000000, -0.0129858300000000 ] - [ 0.0270163800000000, -0.0194037400000000, 0.2169281700000000 ] - [ -0.0044614300000000, 0.0024080000000000, -0.0322574100000000 ] - [ -0.0017876200000000, 0.0024354000000000, -0.0047576100000000 ] - [ -0.0009431800000000, -0.0050328600000000, 0.0005333200000000 ] - [ -0.0006106800000000, -0.0001807700000000, 0.0005284800000000 ] - [ -0.0004017900000000, 0.0009516300000000, 0.0000293700000000 ] - [ -0.0005278800000000, 0.0002166700000000, -0.0001227900000000 ] - [ -0.0005178100000000, 0.0004341600000000, 0.0000870500000000 ] - [ 0.0000255700000000, 0.0002597700000000, -0.0000285900000000 ] - [ 0.0000132200000000, 0.0002239200000000, 0.0007737400000000 ] - [ 0.0000254100000000, 0.0002470000000000, -0.0007416000000000 ] - [ -0.0000225700000000, 0.0002420100000000, 0.0000274300000000 ] - [ 0.0004811500000000, 0.0001781900000000, 0.0000890200000000 ] - [ 0.0004860500000000, 0.0001995900000000, -0.0000976400000000 ] - [ 0.0006937300000000, 0.0002423300000000, -0.0000473800000000 ] - [ 0.0006382100000000, 0.0001137000000000, 0.0001383500000000 ] - [ 0.0006164100000000, 0.0005626300000000, 0.0004747100000000 ] - [ 0.0008304000000000, 0.0000111800000000, -0.0009840000000000 ] - [ 0.0001645600000000, 0.0009500200000000, 0.0090893400000000 ] - [ -0.0009561000000000, -0.0031724400000000, -0.0043656400000000 ] - [ -0.0021350600000000, -0.0037516500000000, 0.0098569300000000 ] - [ -0.0478856100000000, 0.0265547600000000, -0.0895232600000000 ] - [ -0.0008285300000000, 0.0022851400000000, 0.0129023200000000 ] - [ -0.0087056200000000, -0.0021558800000000, -0.0241317300000000 ] - [ 0.0006880500000000, 0.0026294300000000, 0.0085098900000000 ] - [ 0.0299084200000000, -0.0138888400000000, -0.0706439500000000 ] - [ 0.0006478300000000, -0.0055123800000000, 0.0056549500000000 ] - [ 0.0014828200000000, 0.0039094600000000, -0.0134985800000000 ] - [ -0.0009074100000000, 0.0024331400000000, 0.0015786500000000 ] - [ 0.0006188600000000, -0.0001097300000000, 0.0027305000000000 ] - [ -0.0000071100000000, 0.0008082200000000, -0.0021228700000000 ] - [ 0.0001778100000000, -0.0005339600000000, -0.0000244300000000 ] - [ 0.0000097200000000, -0.0014529200000000, 0.0004613900000000 ] - [ -0.0006364200000000, -0.0006243000000000, -0.0004038200000000 ] - [ -0.0003514100000000, -0.0002676800000000, -0.0000408700000000 ] - [ -0.0004330500000000, -0.0007093600000000, 0.0001636800000000 ] - [ -0.0000847300000000, 0.0001614100000000, 0.0000532800000000 ] - [ -0.0004495300000000, 0.0001397200000000, 0.0001108900000000 ] - [ -0.0004073200000000, 0.0000759000000000, -0.0000833700000000 ] - [ -0.0002047800000000, -0.0001846800000000, -0.0000420400000000 ] - [ -0.0001762700000000, -0.0001325600000000, -0.0000051300000000 ] - [ -0.0001906000000000, 0.0003308600000000, -0.0000110600000000 ] - [ 0.0001387100000000, -0.0007320000000000, -0.0000066300000000 ] - [ 0.0001756900000000, -0.0001989600000000, -0.0000170900000000 ] - [ 0.0001721400000000, -0.0002021100000000, 0.0000280400000000 ] - [ 0.0004890000000000, -0.0004363300000000, 0.0000945200000000 ] - [ 0.0005124100000000, -0.0004426400000000, -0.0000880300000000 ] - [ 0.0000209000000000, -0.0004630700000000, -0.0000041700000000 ] - [ 0.0003424700000000, 0.0000665400000000, -0.0000365900000000 ] - [ 0.0003338500000000, 0.0000045200000000, 0.0000499800000000 ] - [ 0.0006382800000000, 0.0000216300000000, -0.0000381500000000 ] - [ -0.0000509100000000, 0.0003005400000000, 0.0000895100000000 ] - [ -0.0000821100000000, 0.0000973300000000, -0.0000601700000000 ] - [ 0.0000084400000000, -0.0006351800000000, -0.0004784000000000 ] - [ -0.0000934600000000, -0.0005189600000000, 0.0005449500000000 ] - [ 0.0008522600000000, -0.0006880400000000, 0.0002376400000000 ] - [ 0.0005850200000000, 0.0005762100000000, 0.0007432700000000 ] - [ 0.0004972700000000, -0.0006777900000000, -0.0010663200000000 ] - [ 0.0013844500000000, 0.0045542500000000, -0.0013239600000000 ] - [ 0.0007815100000000, 0.0002251800000000, -0.0083243100000000 ] - [ 0.0007269200000000, 0.0053256200000000, 0.0044484600000000 ] - [ -0.0034122100000000, -0.0054815700000000, -0.0025637900000000 ] - [ 0.0005673900000000, -0.0008466200000000, 0.0044223000000000 ] - [ 0.0011874000000000, -0.0056730900000000, 0.0065198400000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0138885700000000, 0.0042973400000000, 0.0029309900000000 ] - [ 0.0058762300000000, 0.0060298600000000, -0.0063541500000000 ] - [ -0.0024818200000000, 0.0016652000000000, -0.0016396400000000 ] - [ -0.0013673300000000, 0.0005641200000000, 0.0009231300000000 ] - [ -0.0000859100000000, -0.0001410600000000, -0.0000125600000000 ] - [ -0.0000504100000000, -0.0000685800000000, 0.0000116500000000 ] - [ -0.0000449500000000, -0.0004592100000000, 0.0000584700000000 ] - [ -0.0000547800000000, -0.0004133600000000, -0.0000569700000000 ] - [ -0.0003763500000000, -0.0001502400000000, -0.0008309900000000 ] - [ 0.0000496400000000, 0.0003956300000000, -0.0007551600000000 ] - [ 0.0005122300000000, -0.0003339400000000, 0.0006769000000000 ] - [ 0.0005420100000000, -0.0002784000000000, 0.0000723000000000 ] - [ -0.0005915300000000, -0.0002066000000000, 0.0012322200000000 ] - [ -0.0000249100000000, -0.0065399500000000, -0.0003979800000000 ] - [ -0.1955528800000000, -0.0036484300000000, -0.0060676400000000 ] - [ -0.0002942200000000, 0.0014503300000000, -0.0019231900000000 ] - [ 0.0002939200000000, 0.0009919200000000, -0.0019572300000000 ] - [ 0.0332823900000000, -0.0124413000000000, -0.0033584900000000 ] - [ -0.0004738000000000, -0.0003622400000000, 0.0001399000000000 ] - [ -0.0005203100000000, -0.0021473600000000, 0.0000650900000000 ] - [ -0.0001890400000000, -0.0002686800000000, 0.0001801400000000 ] - [ -0.0000229000000000, -0.0000317100000000, 0.0007054900000000 ] - [ -0.0001533400000000, -0.0002075400000000, -0.0008780400000000 ] - [ 0.0001118900000000, -0.0002047000000000, -0.0002219900000000 ] - [ 0.0005698400000000, -0.0003730500000000, 0.0001510800000000 ] - [ 0.0005429900000000, -0.0003009500000000, -0.0000949700000000 ] - [ 0.0006539800000000, -0.0003313900000000, -0.0001488200000000 ] - [ 0.0006438200000000, -0.0003558400000000, 0.0001459100000000 ] - [ 0.0006768900000000, -0.0001754100000000, 0.0001655300000000 ] - [ 0.0006966000000000, -0.0002193000000000, -0.0002047900000000 ] - [ 0.0004222000000000, -0.0000647400000000, 0.0002865600000000 ] - [ 0.0003088000000000, -0.0003272700000000, -0.0000731400000000 ] - [ 0.0001852800000000, -0.0012393900000000, 0.0002395800000000 ] - [ -0.0006961200000000, -0.0009297200000000, -0.0004070900000000 ] - [ -0.0014456700000000, 0.0014396900000000, 0.0014720500000000 ] - [ -0.0002878500000000, -0.0009369000000000, -0.0003162000000000 ] - [ 0.0016542800000000, 0.0010277300000000, 0.0002128200000000 ] - [ -0.0018380700000000, 0.0006372500000000, -0.0017402000000000 ] - [ 0.0206570100000000, -0.0311607900000000, 0.0247932000000000 ] - [ -0.0010890100000000, 0.0002376800000000, -0.0001652900000000 ] - [ 0.0092538800000000, -0.0028110900000000, -0.0117893200000000 ] - [ 0.0958273900000000, -0.0021674100000000, -0.0128600800000000 ] - [ 0.0020082200000000, -0.0002194400000000, 0.0013095700000000 ] - [ -0.0007662100000000, -0.0008708200000000, 0.0008136000000000 ] - [ 0.0198560600000000, 0.0354911200000000, 0.0108605500000000 ] - [ -0.0031143000000000, 0.0029368300000000, 0.0051002400000000 ] - [ -0.0001153600000000, 0.0002257500000000, 0.0002796800000000 ] - [ -0.0014913400000000, 0.0063827000000000, -0.0005283400000000 ] - [ 0.0005600600000000, 0.0006676500000000, -0.0005419100000000 ] - [ -0.0006045300000000, 0.0001778600000000, 0.0000673400000000 ] - [ -0.0010845300000000, 0.0006627900000000, -0.0001470700000000 ] - [ 0.0002380900000000, 0.0005339800000000, 0.0004917100000000 ] - [ 0.0000921300000000, -0.0001697200000000, -0.0001765500000000 ] - [ -0.0002998900000000, 0.0005303300000000, 0.0001000500000000 ] - [ 0.0002069200000000, -0.0003407300000000, 0.0001112200000000 ] - [ 0.0002056700000000, 0.0000552100000000, 0.0000358600000000 ] - [ 0.0001862800000000, 0.0001342100000000, -0.0000080400000000 ] - [ 0.0004555000000000, -0.0000966700000000, 0.0000539300000000 ] - [ 0.0003709200000000, 0.0000211100000000, -0.0001274100000000 ] - [ 0.0000554300000000, -0.0001461200000000, -0.0000256200000000 ] - [ 0.0003554300000000, 0.0005400600000000, 0.0000211600000000 ] - [ 0.0003648100000000, 0.0005277900000000, -0.0000285900000000 ] - [ 0.0006795500000000, 0.0002548500000000, 0.0000104900000000 ] - [ 0.0000103500000000, 0.0005722900000000, -0.0000373100000000 ] - [ -0.0000020900000000, 0.0005577400000000, 0.0000403800000000 ] - [ -0.0000423300000000, -0.0001688300000000, -0.0000139200000000 ] - [ -0.0000486700000000, -0.0001461900000000, 0.0000160100000000 ] - [ 0.0006398400000000, 0.0000437300000000, 0.0000133500000000 ] - [ 0.0003651200000000, 0.0000089500000000, 0.0000674400000000 ] - [ 0.0003409200000000, -0.0000902100000000, -0.0000846300000000 ] - [ 0.0000471800000000, 0.0004196200000000, -0.0001345300000000 ] - [ 0.0004238000000000, 0.0003780000000000, -0.0003350200000000 ] - [ 0.0006758800000000, 0.0008324600000000, 0.0000494500000000 ] - [ 0.0001645500000000, -0.0001093600000000, -0.0000229900000000 ] - [ 0.0002397200000000, 0.0001796000000000, 0.0001536500000000 ] - [ 0.0000181900000000, 0.0007832200000000, 0.0004071700000000 ]- atom: 15 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0137509500000000, -0.0041705800000000, -0.0030925300000000 ] - [ -0.0057898200000000, -0.0057091500000000, 0.0064373200000000 ] - [ 0.0025829300000000, -0.0020750800000000, 0.0016601500000000 ] - [ 0.0015314300000000, -0.0008730800000000, -0.0009290300000000 ] - [ -0.0000623300000000, 0.0004366300000000, 0.0000112500000000 ] - [ -0.0000493100000000, 0.0004408000000000, -0.0000101600000000 ] - [ -0.0000512100000000, 0.0000939500000000, -0.0000589100000000 ] - [ -0.0000922900000000, 0.0001218900000000, 0.0000570800000000 ] - [ 0.0003820200000000, 0.0001524900000000, 0.0008365500000000 ] - [ -0.0000498400000000, -0.0003975600000000, -0.0007096300000000 ] - [ -0.0005157400000000, 0.0003380700000000, -0.0006782100000000 ] - [ -0.0005419900000000, 0.0002771500000000, 0.0013949300000000 ] - [ -0.0004081900000000, 0.0000583400000000, -0.0009957800000000 ] - [ -0.0009785800000000, 0.0064207800000000, 0.0001460300000000 ] - [ 0.2025960600000000, 0.0026044300000000, 0.0034320100000000 ] - [ -0.0010098800000000, -0.0016003300000000, 0.0022819300000000 ] - [ -0.0016383900000000, -0.0008531100000000, 0.0016454300000000 ] - [ -0.0347872300000000, 0.0128903300000000, 0.0038557200000000 ] - [ -0.0005292900000000, 0.0005209500000000, -0.0003905000000000 ] - [ -0.0004835600000000, 0.0023305600000000, 0.0001836200000000 ] - [ 0.0001930300000000, 0.0002690000000000, -0.0001833200000000 ] - [ 0.0000221000000000, 0.0000315400000000, 0.0007584700000000 ] - [ 0.0001596900000000, 0.0002092200000000, -0.0005823000000000 ] - [ -0.0001115800000000, 0.0002055300000000, 0.0002249700000000 ] - [ 0.0004349900000000, 0.0002163000000000, 0.0000972600000000 ] - [ 0.0004641400000000, 0.0001450400000000, -0.0001522500000000 ] - [ 0.0006820100000000, 0.0001883800000000, -0.0001790000000000 ] - [ 0.0006912100000000, 0.0002101000000000, 0.0001837700000000 ] - [ 0.0006587100000000, 0.0003225200000000, 0.0001657500000000 ] - [ 0.0006429300000000, 0.0003685800000000, -0.0001267000000000 ] - [ 0.0005858600000000, 0.0002243700000000, -0.0000381000000000 ] - [ 0.0006987200000000, 0.0004876600000000, -0.0001743200000000 ] - [ -0.0005134800000000, 0.0001366300000000, -0.0002428500000000 ] - [ 0.0003415100000000, 0.0008833300000000, 0.0003891600000000 ] - [ 0.0010916000000000, -0.0015026100000000, -0.0014497500000000 ] - [ -0.0006510800000000, 0.0004110100000000, 0.0001030100000000 ] - [ -0.0025895500000000, -0.0015557400000000, -0.0000004200000000 ] - [ 0.0017784200000000, -0.0012493400000000, 0.0017529300000000 ] - [ -0.0217286000000000, 0.0314122900000000, -0.0245305600000000 ] - [ 0.0003918000000000, 0.0003448300000000, 0.0001203400000000 ] - [ -0.0107994200000000, 0.0031033200000000, 0.0122705000000000 ] - [ -0.1034187600000000, 0.0032950200000000, 0.0142027400000000 ] - [ -0.0019574000000000, 0.0009280500000000, -0.0013532500000000 ] - [ 0.0008030100000000, 0.0001484700000000, -0.0007785000000000 ] - [ -0.0200151000000000, -0.0354563900000000, -0.0107077300000000 ] - [ 0.0018225900000000, -0.0031681600000000, -0.0051597100000000 ] - [ -0.0005819300000000, -0.0007919800000000, -0.0002333500000000 ] - [ 0.0008073200000000, -0.0070420700000000, 0.0004952000000000 ] - [ -0.0006455500000000, -0.0000797900000000, 0.0005422900000000 ] - [ -0.0003198800000000, 0.0003452100000000, 0.0001520600000000 ] - [ 0.0001579600000000, -0.0001412700000000, -0.0000715900000000 ] - [ -0.0006084700000000, -0.0004868500000000, -0.0005232700000000 ] - [ -0.0004639100000000, 0.0002189700000000, 0.0002100500000000 ] - [ -0.0000138400000000, 0.0005709600000000, -0.0001024700000000 ] - [ 0.0001142500000000, -0.0007619800000000, -0.0001156600000000 ] - [ 0.0001555800000000, -0.0001105200000000, -0.0000239800000000 ] - [ 0.0002018900000000, -0.0001771100000000, -0.0000453400000000 ] - [ 0.0004985500000000, -0.0004309300000000, 0.0001686600000000 ] - [ 0.0005364200000000, -0.0005372300000000, -0.0000873400000000 ] - [ 0.0000330800000000, -0.0004420900000000, 0.0000676900000000 ] - [ 0.0003467400000000, 0.0000028000000000, -0.0000642300000000 ] - [ 0.0003469200000000, 0.0000877800000000, 0.0000560100000000 ] - [ 0.0006481200000000, -0.0000437400000000, 0.0000232300000000 ] - [ -0.0000402400000000, 0.0001520500000000, -0.0000121200000000 ] - [ -0.0000613800000000, 0.0001658200000000, 0.0000031900000000 ] - [ 0.0000121000000000, -0.0005809900000000, -0.0000416800000000 ] - [ 0.0000042900000000, -0.0005735400000000, 0.0000301900000000 ] - [ 0.0006862700000000, -0.0002552500000000, -0.0000131100000000 ] - [ 0.0003405300000000, -0.0005953800000000, -0.0000324900000000 ] - [ 0.0003650700000000, -0.0004844800000000, 0.0000479400000000 ] - [ 0.0000390300000000, 0.0001721000000000, 0.0001477200000000 ] - [ 0.0005016900000000, 0.0001443100000000, 0.0001232100000000 ] - [ 0.0002626700000000, -0.0003070700000000, 0.0001650200000000 ] - [ 0.0002126100000000, 0.0001639700000000, -0.0000190100000000 ] - [ 0.0001266700000000, -0.0001226600000000, -0.0001262100000000 ] - [ 0.0003062500000000, 0.0003244900000000, -0.0004080000000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005962400000000, -0.0043473500000000, 0.0090769300000000 ] - [ 0.0004575400000000, -0.0086504200000000, -0.0075893000000000 ] - [ 0.0008036500000000, 0.0082182500000000, -0.0140562600000000 ] - [ -0.0007703200000000, 0.0048959700000000, 0.0070356400000000 ] - [ -0.0000471700000000, 0.0044008300000000, 0.0000312900000000 ] - [ -0.0001584000000000, 0.0037903200000000, -0.0000307300000000 ] - [ 0.0000486200000000, 0.0034329100000000, -0.0001565600000000 ] - [ -0.0001284800000000, 0.0040970900000000, 0.0001519000000000 ] - [ 0.0006716900000000, 0.0032603200000000, 0.0022484300000000 ] - [ 0.0001227300000000, 0.0019445800000000, 0.0002097100000000 ] - [ -0.0004254300000000, 0.0039965000000000, -0.0024045000000000 ] - [ -0.0009559700000000, 0.0044552600000000, 0.0021206400000000 ] - [ 0.0000040200000000, -0.0017108800000000, -0.0023741000000000 ] - [ -0.0027903500000000, 0.0195496700000000, -0.0050084200000000 ] - [ -0.0064833200000000, -0.2420858200000000, 0.0082511300000000 ] - [ 0.0008548000000000, -0.0087577000000000, 0.0023650400000000 ] - [ -0.0015893500000000, -0.0089781300000000, 0.0046103400000000 ] - [ 0.0119771300000000, -0.0032976600000000, 0.0084986200000000 ] - [ -0.0008824900000000, 0.0006338900000000, -0.0010010500000000 ] - [ -0.0004779700000000, 0.0066522300000000, -0.0001191300000000 ] - [ 0.0003429100000000, 0.0040688200000000, -0.0006751900000000 ] - [ 0.0000765800000000, 0.0029923900000000, 0.0009558500000000 ] - [ 0.0002952300000000, 0.0036860500000000, -0.0003038500000000 ] - [ -0.0003849400000000, 0.0032107000000000, 0.0005357800000000 ] - [ 0.0002129900000000, 0.0038091100000000, -0.0001900500000000 ] - [ 0.0002898400000000, 0.0036290200000000, 0.0000627200000000 ] - [ 0.0009280800000000, 0.0037410200000000, -0.0003717200000000 ] - [ 0.0009491800000000, 0.0037980100000000, 0.0003790500000000 ] - [ 0.0004176800000000, 0.0038519100000000, 0.0000108000000000 ] - [ 0.0003743000000000, 0.0039667100000000, 0.0000858500000000 ] - [ 0.0006862800000000, 0.0034774600000000, 0.0000641100000000 ] - [ 0.0009865000000000, 0.0042213800000000, -0.0006102100000000 ] - [ -0.0006651700000000, -0.0022706100000000, -0.0018752600000000 ] - [ -0.0001190000000000, 0.0000407600000000, -0.0004290100000000 ] - [ 0.0020335800000000, -0.0052766100000000, -0.0030428200000000 ] - [ -0.0003716000000000, -0.0003191400000000, 0.0008616000000000 ] - [ -0.0033717300000000, -0.0055387600000000, 0.0016242400000000 ] - [ 0.0015928900000000, -0.0028028100000000, 0.0039367500000000 ] - [ -0.0298989500000000, 0.0842972200000000, -0.0505973400000000 ] - [ -0.0011811700000000, 0.0053631400000000, 0.0041733900000000 ] - [ -0.0039640700000000, 0.0189413100000000, 0.0150131200000000 ] - [ -0.0049565400000000, 0.0271622100000000, 0.0015214200000000 ] - [ -0.0018798900000000, 0.0083305200000000, -0.0017272600000000 ] - [ 0.0017439500000000, 0.0086082800000000, -0.0028841100000000 ] - [ 0.0364648700000000, 0.1022006500000000, 0.0277704800000000 ] - [ -0.0032117300000000, 0.0032757500000000, -0.0090814500000000 ] - [ 0.0005894300000000, 0.0022039800000000, 0.0015778000000000 ] - [ -0.0019842900000000, -0.0062286600000000, 0.0014911700000000 ] - [ -0.0001185600000000, -0.0020447500000000, 0.0011375500000000 ] - [ -0.0005537300000000, -0.0016799300000000, 0.0008003000000000 ] - [ 0.0005047500000000, -0.0032141700000000, 0.0001145500000000 ] - [ -0.0005572300000000, -0.0029470100000000, -0.0010367300000000 ] - [ 0.0001645800000000, -0.0019068900000000, -0.0003061100000000 ] - [ -0.0006287500000000, -0.0019654100000000, -0.0004124100000000 ] - [ -0.0002056700000000, -0.0031069600000000, -0.0002489200000000 ] - [ -0.0000177000000000, -0.0024514000000000, -0.0004187600000000 ] - [ 0.0000197100000000, -0.0026068800000000, 0.0003024700000000 ] - [ 0.0009323200000000, -0.0026205800000000, 0.0000178600000000 ] - [ 0.0011712000000000, -0.0029478000000000, 0.0001206600000000 ] - [ -0.0003464700000000, -0.0027173700000000, 0.0001415400000000 ] - [ 0.0001158400000000, -0.0032793400000000, -0.0006313400000000 ] - [ 0.0000954500000000, -0.0031964300000000, 0.0006413000000000 ] - [ 0.0003846900000000, -0.0020552100000000, 0.0000034600000000 ] - [ -0.0004102500000000, -0.0026004500000000, 0.0002248600000000 ] - [ -0.0004080100000000, -0.0025559700000000, -0.0002347900000000 ] - [ 0.0003844700000000, -0.0032485500000000, -0.0002784000000000 ] - [ 0.0003940700000000, -0.0032814300000000, 0.0002669600000000 ] - [ 0.0009285200000000, -0.0022509200000000, -0.0000404800000000 ] - [ 0.0005228300000000, -0.0039029100000000, -0.0005491300000000 ] - [ 0.0006056800000000, -0.0036405100000000, 0.0006038200000000 ] - [ 0.0004747400000000, -0.0021317600000000, 0.0005294300000000 ] - [ 0.0001701600000000, -0.0017586100000000, 0.0000808900000000 ] - [ -0.0005409000000000, -0.0030014300000000, 0.0005451100000000 ] - [ 0.0004748300000000, -0.0019941400000000, -0.0005906000000000 ] - [ 0.0002180500000000, -0.0026724800000000, 0.0000721900000000 ] - [ 0.0005954600000000, -0.0021603800000000, -0.0009907900000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007411800000000, 0.0047267600000000, -0.0091255500000000 ] - [ -0.0003640400000000, 0.0090710100000000, 0.0076006900000000 ] - [ -0.0006723900000000, -0.0084960000000000, 0.0139492600000000 ] - [ 0.0009349000000000, -0.0051902300000000, -0.0070152600000000 ] - [ -0.0001054200000000, -0.0041040700000000, -0.0000318700000000 ] - [ 0.0000567300000000, -0.0034140500000000, 0.0000318700000000 ] - [ -0.0001491600000000, -0.0038079800000000, 0.0001578800000000 ] - [ -0.0000231300000000, -0.0043928500000000, -0.0001552900000000 ] - [ -0.0006683800000000, -0.0032633800000000, -0.0022633300000000 ] - [ -0.0001290300000000, -0.0019379200000000, -0.0016848400000000 ] - [ 0.0004116700000000, -0.0039865900000000, 0.0024234900000000 ] - [ 0.0009630500000000, -0.0044649300000000, -0.0006609600000000 ] - [ -0.0009989200000000, 0.0015824300000000, 0.0026098600000000 ] - [ 0.0018670800000000, -0.0198181900000000, 0.0049029800000000 ] - [ -0.0002011400000000, 0.2396963700000000, -0.0138596100000000 ] - [ -0.0021952700000000, 0.0085984400000000, -0.0020228000000000 ] - [ 0.0002575800000000, 0.0090915700000000, -0.0049383100000000 ] - [ -0.0133578300000000, 0.0034431800000000, -0.0080995800000000 ] - [ -0.0001171400000000, -0.0004916200000000, 0.0007480600000000 ] - [ -0.0005213500000000, -0.0064864300000000, 0.0003717400000000 ] - [ -0.0003410300000000, -0.0040643700000000, 0.0006732300000000 ] - [ -0.0000801500000000, -0.0029918500000000, 0.0005019400000000 ] - [ -0.0002900200000000, -0.0036839500000000, -0.0011521900000000 ] - [ 0.0003846600000000, -0.0032105100000000, -0.0005335900000000 ] - [ 0.0007885000000000, -0.0039583200000000, 0.0004384900000000 ] - [ 0.0007138400000000, -0.0037787600000000, -0.0003103500000000 ] - [ 0.0004083000000000, -0.0038806900000000, 0.0000379200000000 ] - [ 0.0003859200000000, -0.0039392400000000, -0.0000466900000000 ] - [ 0.0009175400000000, -0.0037092100000000, 0.0003210600000000 ] - [ 0.0009620800000000, -0.0038260900000000, -0.0004180800000000 ] - [ 0.0003197400000000, -0.0033213500000000, 0.0001852300000000 ] - [ 0.0000138200000000, -0.0040733100000000, 0.0003671600000000 ] - [ 0.0003431800000000, 0.0011642900000000, 0.0018864500000000 ] - [ -0.0002429900000000, -0.0001048700000000, 0.0004109000000000 ] - [ -0.0024149200000000, 0.0052439400000000, 0.0030666500000000 ] - [ -0.0005584400000000, -0.0002138000000000, -0.0010728800000000 ] - [ 0.0024488900000000, 0.0050380100000000, -0.0014309100000000 ] - [ -0.0016631100000000, 0.0021827400000000, -0.0039213300000000 ] - [ 0.0310155200000000, -0.0868309400000000, 0.0536569600000000 ] - [ 0.0004967300000000, -0.0048381100000000, -0.0042509700000000 ] - [ 0.0025741800000000, -0.0184850600000000, -0.0145424200000000 ] - [ 0.0056363000000000, -0.0265994800000000, -0.0016193900000000 ] - [ 0.0018902000000000, -0.0076191400000000, 0.0016642000000000 ] - [ -0.0017102300000000, -0.0092769200000000, 0.0029266500000000 ] - [ -0.0336416200000000, -0.0978211600000000, -0.0259211400000000 ] - [ 0.0019009400000000, -0.0034587200000000, 0.0090840200000000 ] - [ -0.0012766300000000, -0.0027373700000000, -0.0015097500000000 ] - [ 0.0013460700000000, 0.0056911300000000, -0.0015701500000000 ] - [ 0.0000268500000000, 0.0026137500000000, -0.0011175300000000 ] - [ -0.0003814600000000, 0.0021969900000000, -0.0005759400000000 ] - [ -0.0014129300000000, 0.0037227800000000, -0.0003339200000000 ] - [ 0.0001827400000000, 0.0029911100000000, 0.0009902700000000 ] - [ -0.0005253900000000, 0.0019626100000000, 0.0003289100000000 ] - [ 0.0002975600000000, 0.0030776200000000, 0.0004125100000000 ] - [ 0.0005384800000000, 0.0019988000000000, 0.0002477200000000 ] - [ 0.0003811300000000, 0.0024012100000000, 0.0004439500000000 ] - [ 0.0003444900000000, 0.0025571500000000, -0.0003285800000000 ] - [ -0.0000001800000000, 0.0021014100000000, 0.0002027500000000 ] - [ -0.0002383600000000, 0.0024280100000000, -0.0003396000000000 ] - [ 0.0004345300000000, 0.0021412400000000, -0.0001404100000000 ] - [ 0.0005746100000000, 0.0038249900000000, 0.0005731500000000 ] - [ 0.0005957700000000, 0.0037448400000000, -0.0005816300000000 ] - [ 0.0009287700000000, 0.0022525200000000, 0.0000009900000000 ] - [ 0.0003874300000000, 0.0033040400000000, -0.0002735500000000 ] - [ 0.0003812500000000, 0.0032593400000000, 0.0002821600000000 ] - [ -0.0004131800000000, 0.0025488800000000, 0.0002314300000000 ] - [ -0.0004246300000000, 0.0025869100000000, -0.0002221000000000 ] - [ 0.0003858000000000, 0.0020528900000000, 0.0000424600000000 ] - [ 0.0001702400000000, 0.0033528000000000, 0.0006029900000000 ] - [ 0.0000867300000000, 0.0030974300000000, -0.0006589200000000 ] - [ -0.0003811100000000, 0.0027038600000000, -0.0005233500000000 ] - [ 0.0007485400000000, 0.0022671100000000, -0.0002910300000000 ] - [ 0.0014750400000000, 0.0035189500000000, -0.0003322800000000 ] - [ -0.0001061500000000, 0.0020411800000000, 0.0005549200000000 ] - [ 0.0001466200000000, 0.0027249900000000, -0.0000469800000000 ] - [ -0.0002594600000000, 0.0032741900000000, 0.0009921900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006680100000000, 0.0160475900000000, -0.0021923400000000 ] - [ -0.0034804100000000, -0.0038527200000000, 0.0148283300000000 ] - [ -0.0010378300000000, -0.0115303800000000, -0.0026414900000000 ] - [ 0.0001164800000000, 0.0035184600000000, 0.0043492300000000 ] - [ -0.0000702800000000, -0.0000490100000000, 0.0000292300000000 ] - [ -0.0000439200000000, -0.0000189200000000, -0.0000349700000000 ] - [ -0.0000475500000000, -0.0005062700000000, 0.0001452000000000 ] - [ -0.0000724800000000, -0.0001422800000000, -0.0001467100000000 ] - [ -0.0013155900000000, 0.0013262200000000, -0.0020808700000000 ] - [ -0.0001932000000000, 0.0016097600000000, 0.0005690800000000 ] - [ 0.0004957200000000, -0.0017536200000000, 0.0021610800000000 ] - [ 0.0007831500000000, -0.0005937700000000, -0.0026336700000000 ] - [ -0.0008126600000000, 0.0037811700000000, 0.0047035500000000 ] - [ -0.0004816000000000, -0.0140429500000000, -0.0005149500000000 ] - [ -0.0066292700000000, 0.0126454500000000, -0.2021249900000000 ] - [ 0.0014655100000000, -0.0022970600000000, 0.0293786400000000 ] - [ -0.0024677300000000, -0.0046962800000000, 0.0070658800000000 ] - [ 0.0029409900000000, 0.0083541900000000, -0.0003402500000000 ] - [ -0.0006996500000000, -0.0016670900000000, 0.0000191800000000 ] - [ -0.0005382800000000, 0.0015747100000000, -0.0005651500000000 ] - [ -0.0000598200000000, -0.0005179100000000, -0.0004186900000000 ] - [ -0.0000022900000000, -0.0002926000000000, 0.0012805600000000 ] - [ 0.0001092600000000, 0.0001404200000000, -0.0008671500000000 ] - [ 0.0000993300000000, 0.0000530300000000, 0.0003368200000000 ] - [ 0.0005048500000000, -0.0002519300000000, 0.0000059100000000 ] - [ 0.0005468100000000, -0.0003597900000000, -0.0000972400000000 ] - [ 0.0006536800000000, -0.0002747700000000, -0.0001217200000000 ] - [ 0.0006480200000000, -0.0002849400000000, 0.0001552800000000 ] - [ 0.0006669000000000, -0.0000864000000000, 0.0001750200000000 ] - [ 0.0007076700000000, -0.0001830600000000, -0.0002778300000000 ] - [ 0.0004249100000000, 0.0000404400000000, 0.0009417600000000 ] - [ 0.0001669600000000, -0.0006303700000000, -0.0004319400000000 ] - [ 0.0005493700000000, -0.0052675700000000, 0.0012097100000000 ] - [ -0.0001183600000000, -0.0027111300000000, -0.0012491900000000 ] - [ -0.0022790400000000, 0.0028555500000000, 0.0058301100000000 ] - [ -0.0010946800000000, -0.0007732900000000, -0.0023174800000000 ] - [ 0.0023327800000000, 0.0043290100000000, 0.0002139600000000 ] - [ -0.0005030200000000, 0.0021823300000000, -0.0044596200000000 ] - [ 0.0248595100000000, -0.0503855000000000, 0.0496377200000000 ] - [ 0.0012239500000000, -0.0050836800000000, -0.0112188500000000 ] - [ -0.0119637000000000, 0.0143059000000000, 0.0934512000000000 ] - [ -0.0153598300000000, 0.0019966900000000, 0.0186205100000000 ] - [ -0.0041712700000000, 0.0016225500000000, -0.0095984900000000 ] - [ 0.0021041600000000, 0.0060172100000000, -0.0076293000000000 ] - [ 0.0113220300000000, 0.0226613300000000, 0.0198842400000000 ] - [ 0.0002351200000000, -0.0013048900000000, -0.0058591200000000 ] - [ -0.0001076900000000, 0.0023930100000000, -0.0005534200000000 ] - [ -0.0025849900000000, -0.0032524900000000, 0.0028877800000000 ] - [ -0.0005119300000000, 0.0008335900000000, 0.0007546400000000 ] - [ -0.0007179600000000, 0.0012175100000000, -0.0001260900000000 ] - [ -0.0001736300000000, 0.0002494900000000, 0.0005658500000000 ] - [ -0.0002443000000000, -0.0003712400000000, -0.0001019400000000 ] - [ 0.0001037600000000, 0.0003227400000000, -0.0006569700000000 ] - [ -0.0003238300000000, 0.0001274600000000, -0.0002389400000000 ] - [ 0.0002178400000000, -0.0005072300000000, -0.0001495400000000 ] - [ 0.0001975000000000, 0.0001062800000000, -0.0001260700000000 ] - [ 0.0002221900000000, -0.0000038200000000, 0.0000437600000000 ] - [ 0.0003330900000000, 0.0000015700000000, 0.0000962300000000 ] - [ 0.0004746500000000, -0.0001881200000000, -0.0000098500000000 ] - [ 0.0000543300000000, -0.0001001400000000, 0.0000887200000000 ] - [ 0.0003619700000000, 0.0004487400000000, 0.0000280600000000 ] - [ 0.0003504200000000, 0.0004911000000000, -0.0000246800000000 ] - [ 0.0006709800000000, 0.0002152600000000, -0.0000031600000000 ] - [ 0.0000108500000000, 0.0005344000000000, -0.0000247800000000 ] - [ -0.0000099600000000, 0.0004931800000000, 0.0000227200000000 ] - [ -0.0000235900000000, -0.0002168800000000, -0.0000537100000000 ] - [ -0.0000485400000000, -0.0001833000000000, 0.0000520500000000 ] - [ 0.0006551600000000, -0.0000302400000000, 0.0000503300000000 ] - [ 0.0004232300000000, 0.0000523600000000, 0.0001347900000000 ] - [ 0.0003454500000000, -0.0001900300000000, -0.0001975200000000 ] - [ -0.0000197300000000, 0.0008350700000000, -0.0004740300000000 ] - [ 0.0003922100000000, 0.0002711000000000, -0.0008979500000000 ] - [ 0.0011057700000000, 0.0013744700000000, 0.0003210900000000 ] - [ 0.0001477200000000, -0.0007076200000000, -0.0005723400000000 ] - [ 0.0003565600000000, -0.0000518900000000, 0.0009993800000000 ] - [ -0.0005042400000000, 0.0003318000000000, 0.0009953400000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008073200000000, -0.0158177700000000, 0.0022298500000000 ] - [ 0.0035201100000000, 0.0041535000000000, -0.0147984600000000 ] - [ 0.0011450200000000, 0.0112137300000000, 0.0026784100000000 ] - [ 0.0000393100000000, -0.0037901900000000, -0.0043642400000000 ] - [ -0.0000813400000000, 0.0003421000000000, -0.0000326600000000 ] - [ -0.0000582400000000, 0.0003877000000000, 0.0000330800000000 ] - [ -0.0000540900000000, 0.0001372700000000, -0.0001481200000000 ] - [ -0.0000776600000000, -0.0001531000000000, 0.0001424000000000 ] - [ 0.0013178600000000, -0.0013321600000000, 0.0020791800000000 ] - [ 0.0001918700000000, -0.0016151500000000, -0.0020391600000000 ] - [ -0.0005008900000000, 0.0017574800000000, -0.0021661600000000 ] - [ -0.0007799200000000, 0.0005942900000000, 0.0041050100000000 ] - [ -0.0001868100000000, -0.0039426700000000, -0.0044739300000000 ] - [ -0.0005190900000000, 0.0139038000000000, 0.0002855600000000 ] - [ 0.0028857200000000, -0.0094491400000000, 0.2088442200000000 ] - [ -0.0027371100000000, 0.0020825100000000, -0.0291049000000000 ] - [ 0.0011370700000000, 0.0048616600000000, -0.0074056100000000 ] - [ -0.0042723200000000, -0.0082355600000000, 0.0005700300000000 ] - [ -0.0003035800000000, 0.0018293000000000, -0.0002670600000000 ] - [ -0.0004664400000000, -0.0014345600000000, 0.0008134600000000 ] - [ 0.0000610900000000, 0.0005191700000000, 0.0004201500000000 ] - [ -0.0000009900000000, 0.0002928600000000, 0.0001789400000000 ] - [ -0.0001058900000000, -0.0001418900000000, -0.0006022200000000 ] - [ -0.0000996100000000, -0.0000539700000000, -0.0003420100000000 ] - [ 0.0004994500000000, 0.0000949600000000, 0.0002411900000000 ] - [ 0.0004567600000000, 0.0002026400000000, -0.0001538100000000 ] - [ 0.0006807900000000, 0.0001281500000000, -0.0002127200000000 ] - [ 0.0006850400000000, 0.0001354000000000, 0.0001729500000000 ] - [ 0.0006670700000000, 0.0002326500000000, 0.0001548300000000 ] - [ 0.0006275200000000, 0.0003278700000000, -0.0000573400000000 ] - [ 0.0005808100000000, 0.0001142800000000, -0.0006975100000000 ] - [ 0.0008371500000000, 0.0007834400000000, 0.0001827700000000 ] - [ -0.0008776900000000, 0.0041858900000000, -0.0012299300000000 ] - [ -0.0002540400000000, 0.0026725600000000, 0.0012028900000000 ] - [ 0.0019066000000000, -0.0028970900000000, -0.0058104400000000 ] - [ 0.0001827000000000, 0.0002559500000000, 0.0021107700000000 ] - [ -0.0032666300000000, -0.0048584300000000, 0.0000041300000000 ] - [ 0.0004285300000000, -0.0027908800000000, 0.0044965300000000 ] - [ -0.0246785300000000, 0.0489827400000000, -0.0489112800000000 ] - [ -0.0019134600000000, 0.0056204800000000, 0.0111025600000000 ] - [ 0.0116939200000000, -0.0153035900000000, -0.1003709900000000 ] - [ 0.0158988600000000, -0.0013228400000000, -0.0188228700000000 ] - [ 0.0042046800000000, -0.0009084000000000, 0.0095627500000000 ] - [ -0.0020745300000000, -0.0067240100000000, 0.0076679100000000 ] - [ -0.0113680800000000, -0.0233834100000000, -0.0202303900000000 ] - [ -0.0015395700000000, 0.0010875600000000, 0.0058963900000000 ] - [ -0.0005896500000000, -0.0029677500000000, 0.0005961900000000 ] - [ 0.0018963900000000, 0.0027432300000000, -0.0029570200000000 ] - [ 0.0004261900000000, -0.0002456000000000, -0.0007469100000000 ] - [ -0.0002150600000000, -0.0006860700000000, 0.0003440700000000 ] - [ -0.0007406400000000, 0.0002782200000000, -0.0008015700000000 ] - [ -0.0001365500000000, 0.0004182900000000, 0.0000541800000000 ] - [ -0.0004669900000000, -0.0002704300000000, 0.0006882800000000 ] - [ 0.0000002300000000, 0.0009728500000000, 0.0002500200000000 ] - [ 0.0001051400000000, -0.0005939400000000, 0.0001581600000000 ] - [ 0.0001712900000000, -0.0001573900000000, 0.0001658700000000 ] - [ 0.0001441600000000, -0.0000464400000000, -0.0000699800000000 ] - [ 0.0005926700000000, -0.0005328700000000, 0.0001212500000000 ] - [ 0.0004671100000000, -0.0003425700000000, -0.0002247100000000 ] - [ 0.0000265300000000, -0.0004911100000000, -0.0001088100000000 ] - [ 0.0003341200000000, 0.0001221800000000, -0.0000772200000000 ] - [ 0.0003468800000000, 0.0000643400000000, 0.0000692600000000 ] - [ 0.0006480400000000, -0.0000117800000000, 0.0000037500000000 ] - [ -0.0000472700000000, 0.0001733300000000, -0.0000234800000000 ] - [ -0.0000235200000000, 0.0002265000000000, 0.0000228200000000 ] - [ -0.0000155200000000, -0.0004963400000000, 0.0000039300000000 ] - [ 0.0000207700000000, -0.0005257000000000, -0.0000075000000000 ] - [ 0.0006643900000000, -0.0001722000000000, -0.0000639300000000 ] - [ 0.0002718600000000, -0.0006089000000000, -0.0000896700000000 ] - [ 0.0003536800000000, -0.0003683200000000, 0.0001500000000000 ] - [ 0.0001117500000000, -0.0002509200000000, 0.0004794600000000 ] - [ 0.0005283800000000, 0.0002517000000000, 0.0006877300000000 ] - [ -0.0001805900000000, -0.0008578200000000, -0.0001056300000000 ] - [ 0.0002204400000000, 0.0007601000000000, 0.0005290500000000 ] - [ 0.0000152400000000, 0.0000988700000000, -0.0009715500000000 ] - [ 0.0008318300000000, 0.0007714100000000, -0.0010102100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0055540800000000, -0.0117089200000000, 0.0000000000000000 ] - [ -0.0000813300000000, -0.0006129800000000, 0.0000000000000000 ] - [ 0.0000328200000000, 0.0002067500000000, 0.0000000000000000 ] - [ 0.0000930200000000, 0.0002103200000000, 0.0000000000000000 ] - [ -0.0000748300000000, 0.0005655100000000, 0.0000000000000000 ] - [ -0.0000611800000000, 0.0004646600000000, 0.0000000000000000 ] - [ 0.0001551700000000, 0.0002500500000000, 0.0000000000000000 ] - [ 0.0020768900000000, -0.0008245700000000, 0.0000000000000000 ] - [ 0.0301110100000000, -0.0171266800000000, 0.0000000000000000 ] - [ 0.0155051200000000, 0.0080651000000000, 0.0054558200000000 ] - [ 0.0003180900000000, -0.0008172200000000, 0.0000000000000000 ] - [ 0.0155051200000000, 0.0080651000000000, -0.0054558200000000 ] - [ -0.0005300500000000, -0.0012457400000000, 0.0021675700000000 ] - [ -0.0005300500000000, -0.0012457400000000, -0.0021675700000000 ] - [ -0.0003139400000000, -0.0005804700000000, 0.0005444200000000 ] - [ -0.0003139400000000, -0.0005804700000000, -0.0005444200000000 ] - [ -0.0008087200000000, 0.0005315800000000, -0.0003275800000000 ] - [ -0.0008087200000000, 0.0005315800000000, 0.0003275800000000 ] - [ -0.0005269200000000, 0.0004546500000000, -0.0001552700000000 ] - [ -0.0005269200000000, 0.0004546500000000, 0.0001552700000000 ] - [ 0.0000439700000000, 0.0003712000000000, 0.0000000000000000 ] - [ 0.0000247700000000, 0.0003054700000000, 0.0007224200000000 ] - [ 0.0000247700000000, 0.0003054700000000, -0.0007224200000000 ] - [ -0.0000393700000000, 0.0003054200000000, 0.0000000000000000 ] - [ 0.0004740900000000, 0.0002719900000000, 0.0001025000000000 ] - [ 0.0004740900000000, 0.0002719900000000, -0.0001025000000000 ] - [ 0.0007134800000000, 0.0002953500000000, -0.0002226200000000 ] - [ 0.0007134800000000, 0.0002953500000000, 0.0002226200000000 ] - [ 0.0005258500000000, 0.0004974300000000, -0.0005008800000000 ] - [ 0.0005258500000000, 0.0004974300000000, 0.0005008800000000 ] - [ -0.0022940700000000, 0.0004910300000000, 0.0011288400000000 ] - [ -0.0022940700000000, 0.0004910300000000, -0.0011288400000000 ] - [ -0.1314765100000000, 0.0191007400000000, 0.0000000000000000 ] - [ 0.0262004100000000, -0.0006879900000000, -0.0009901600000000 ] - [ 0.0262004100000000, -0.0006879900000000, 0.0009901600000000 ] - [ -0.0005175500000000, 0.0001563100000000, -0.0001346000000000 ] - [ -0.0005175500000000, 0.0001563100000000, 0.0001346000000000 ] - [ -0.0002457100000000, 0.0001912100000000, 0.0000000000000000 ] - [ -0.0002496700000000, 0.0010867200000000, -0.0001826300000000 ] - [ -0.0002496700000000, 0.0010867200000000, 0.0001826300000000 ] - [ 0.0011438500000000, 0.0005985600000000, 0.0000000000000000 ] - [ -0.0003581100000000, -0.0000077400000000, -0.0010456400000000 ] - [ -0.0003581100000000, -0.0000077400000000, 0.0010456400000000 ] - [ 0.0000172500000000, -0.0004612000000000, 0.0001151500000000 ] - [ 0.0000172500000000, -0.0004612000000000, -0.0001151500000000 ] - [ -0.0006500600000000, -0.0002676700000000, 0.0000000000000000 ] - [ -0.0003673100000000, -0.0006797300000000, -0.0000217400000000 ] - [ -0.0003673100000000, -0.0006797300000000, 0.0000217400000000 ] - [ -0.0000693600000000, 0.0000691700000000, 0.0000000000000000 ] - [ -0.0004190000000000, 0.0000269600000000, 0.0001291700000000 ] - [ -0.0004190000000000, 0.0000269600000000, -0.0001291700000000 ] - [ -0.0001995800000000, -0.0002069000000000, -0.0000544600000000 ] - [ -0.0001995800000000, -0.0002069000000000, 0.0000544600000000 ] - [ -0.0001942000000000, 0.0003162300000000, 0.0000000000000000 ] - [ 0.0001271500000000, -0.0007996100000000, 0.0000000000000000 ] - [ 0.0001734300000000, -0.0002552900000000, -0.0000099000000000 ] - [ 0.0001734300000000, -0.0002552900000000, 0.0000099000000000 ] - [ 0.0005143700000000, -0.0004947400000000, 0.0000989200000000 ] - [ 0.0005143700000000, -0.0004947400000000, -0.0000989200000000 ] - [ 0.0000080900000000, -0.0005132000000000, 0.0000000000000000 ] - [ 0.0003225700000000, -0.0000497600000000, -0.0000914300000000 ] - [ 0.0003225700000000, -0.0000497600000000, 0.0000914300000000 ] - [ 0.0006341300000000, -0.0001135400000000, 0.0000000000000000 ] - [ -0.0000483800000000, 0.0000414500000000, -0.0000954600000000 ] - [ -0.0000483800000000, 0.0000414500000000, 0.0000954600000000 ] - [ 0.0000554300000000, -0.0006587400000000, 0.0001310100000000 ] - [ 0.0000554300000000, -0.0006587400000000, -0.0001310100000000 ] - [ 0.0005125400000000, 0.0001889700000000, 0.0000000000000000 ] - [ 0.0009529900000000, -0.0016058400000000, 0.0000307800000000 ] - [ 0.0009529900000000, -0.0016058400000000, -0.0000307800000000 ] - [ 0.0000166800000000, 0.0004853700000000, 0.0000000000000000 ] - [ 0.0005245000000000, 0.0003143200000000, 0.0005173100000000 ] - [ 0.0005245000000000, 0.0003143200000000, -0.0005173100000000 ] - [ -0.0005738700000000, -0.0104217200000000, -0.0082934600000000 ] - [ -0.0005738700000000, -0.0104217200000000, 0.0082934600000000 ] - [ 0.0144708100000000, 0.0190952400000000, 0.0000000000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0055124200000000, 0.0122519800000000, 0.0000000000000000 ] - [ 0.0001702000000000, 0.0009916900000000, 0.0000000000000000 ] - [ 0.0000583900000000, -0.0005761100000000, 0.0000000000000000 ] - [ 0.0000586900000000, -0.0005005800000000, 0.0000000000000000 ] - [ -0.0000785700000000, -0.0002898500000000, 0.0000000000000000 ] - [ -0.0000366100000000, -0.0001056000000000, 0.0000000000000000 ] - [ -0.0002475600000000, -0.0006165400000000, 0.0000000000000000 ] - [ -0.0022375800000000, 0.0005277100000000, 0.0000000000000000 ] - [ -0.0272421400000000, 0.0151837900000000, 0.0000000000000000 ] - [ -0.0156567700000000, -0.0084175400000000, -0.0074767100000000 ] - [ -0.0003445400000000, 0.0008272900000000, 0.0000000000000000 ] - [ -0.0156567700000000, -0.0084175400000000, 0.0074767100000000 ] - [ -0.0004356000000000, 0.0010980500000000, -0.0018661100000000 ] - [ -0.0004356000000000, 0.0010980500000000, 0.0018661100000000 ] - [ -0.0010192700000000, 0.0004270000000000, -0.0008840300000000 ] - [ -0.0010192700000000, 0.0004270000000000, 0.0008840300000000 ] - [ -0.0005253200000000, -0.0003939200000000, -0.0000030900000000 ] - [ -0.0005253200000000, -0.0003939200000000, 0.0000030900000000 ] - [ -0.0004752200000000, -0.0003004300000000, -0.0000933200000000 ] - [ -0.0004752200000000, -0.0003004300000000, 0.0000933200000000 ] - [ -0.0000448100000000, -0.0003798300000000, 0.0000000000000000 ] - [ -0.0000252300000000, -0.0003123600000000, 0.0007406600000000 ] - [ -0.0000252300000000, -0.0003123600000000, -0.0007406600000000 ] - [ 0.0000401800000000, -0.0003125700000000, 0.0000000000000000 ] - [ 0.0005272900000000, -0.0004392500000000, 0.0001436800000000 ] - [ 0.0005272900000000, -0.0004392500000000, -0.0001436800000000 ] - [ 0.0006179500000000, -0.0004498500000000, -0.0001088600000000 ] - [ 0.0006179500000000, -0.0004498500000000, 0.0001088600000000 ] - [ 0.0008109200000000, -0.0003581700000000, 0.0008363800000000 ] - [ 0.0008109200000000, -0.0003581700000000, -0.0008363800000000 ] - [ 0.0033167900000000, -0.0003250800000000, -0.0009078500000000 ] - [ 0.0033167900000000, -0.0003250800000000, 0.0009078500000000 ] - [ 0.1288852000000000, -0.0176315500000000, 0.0000000000000000 ] - [ -0.0265068300000000, 0.0006746500000000, 0.0006906800000000 ] - [ -0.0265068300000000, 0.0006746500000000, -0.0006906800000000 ] - [ -0.0004405200000000, -0.0007101000000000, -0.0000434500000000 ] - [ -0.0004405200000000, -0.0007101000000000, 0.0000434500000000 ] - [ 0.0001738300000000, -0.0007916000000000, 0.0000000000000000 ] - [ -0.0004489300000000, -0.0005156400000000, 0.0002426100000000 ] - [ -0.0004489300000000, -0.0005156400000000, -0.0002426100000000 ] - [ -0.0024543900000000, -0.0003862100000000, 0.0000000000000000 ] - [ 0.0003866000000000, 0.0007358700000000, 0.0011056400000000 ] - [ 0.0003866000000000, 0.0007358700000000, -0.0011056400000000 ] - [ 0.0000282300000000, -0.0002443100000000, -0.0000729100000000 ] - [ 0.0000282300000000, -0.0002443100000000, 0.0000729100000000 ] - [ -0.0006725600000000, 0.0000600100000000, 0.0000000000000000 ] - [ -0.0003311300000000, 0.0001033900000000, 0.0000635800000000 ] - [ -0.0003311300000000, 0.0001033900000000, -0.0000635800000000 ] - [ 0.0000032600000000, 0.0005303100000000, 0.0000000000000000 ] - [ -0.0005263400000000, 0.0005094800000000, 0.0000996000000000 ] - [ -0.0005263400000000, 0.0005094800000000, -0.0000996000000000 ] - [ -0.0001599000000000, 0.0002594800000000, 0.0000348500000000 ] - [ -0.0001599000000000, 0.0002594800000000, -0.0000348500000000 ] - [ -0.0001322400000000, 0.0007861100000000, 0.0000000000000000 ] - [ 0.0002016300000000, -0.0002921300000000, 0.0000000000000000 ] - [ 0.0001944300000000, 0.0002156000000000, 0.0000436900000000 ] - [ 0.0001944300000000, 0.0002156000000000, -0.0000436900000000 ] - [ 0.0004178800000000, -0.0000283900000000, 0.0001290200000000 ] - [ 0.0004178800000000, -0.0000283900000000, -0.0001290200000000 ] - [ 0.0000721300000000, -0.0000714800000000, 0.0000000000000000 ] - [ 0.0003740700000000, 0.0006153300000000, 0.0000441200000000 ] - [ 0.0003740700000000, 0.0006153300000000, -0.0000441200000000 ] - [ 0.0006852200000000, 0.0003232900000000, 0.0000000000000000 ] - [ 0.0000224700000000, 0.0006880700000000, 0.0000450100000000 ] - [ 0.0000224700000000, 0.0006880700000000, -0.0000450100000000 ] - [ -0.0001016000000000, -0.0000468400000000, -0.0001754400000000 ] - [ -0.0001016000000000, -0.0000468400000000, 0.0001754400000000 ] - [ 0.0008112900000000, -0.0003973700000000, 0.0000000000000000 ] - [ -0.0002583000000000, 0.0010347300000000, 0.0000080600000000 ] - [ -0.0002583000000000, 0.0010347300000000, -0.0000080600000000 ] - [ 0.0000505200000000, 0.0001056100000000, 0.0000000000000000 ] - [ 0.0004221200000000, 0.0002068400000000, -0.0007342500000000 ] - [ 0.0004221200000000, 0.0002068400000000, 0.0007342500000000 ] - [ 0.0008026300000000, 0.0104762900000000, 0.0082934000000000 ] - [ 0.0008026300000000, 0.0104762900000000, -0.0082934000000000 ] - [ -0.0142279100000000, -0.0182421000000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063817100000000, 0.0172017100000000, 0.0000000000000000 ] - [ 0.0001372300000000, 0.0029384600000000, 0.0000000000000000 ] - [ 0.0001321600000000, -0.0031563100000000, 0.0000000000000000 ] - [ 0.0000566200000000, -0.0028348600000000, 0.0000000000000000 ] - [ -0.0000945800000000, -0.0027252800000000, 0.0000000000000000 ] - [ 0.0000286200000000, -0.0023215600000000, 0.0000000000000000 ] - [ -0.0003403700000000, -0.0009893300000000, 0.0000000000000000 ] - [ -0.0002786400000000, -0.0054745200000000, 0.0000000000000000 ] - [ -0.0237384000000000, 0.0393140000000000, 0.0000000000000000 ] - [ 0.0065178200000000, 0.0321920300000000, 0.0104507300000000 ] - [ 0.0001220900000000, 0.0089903200000000, 0.0000000000000000 ] - [ 0.0065178200000000, 0.0321920300000000, -0.0104507300000000 ] - [ -0.0016396800000000, 0.0064338500000000, 0.0033477500000000 ] - [ -0.0016396800000000, 0.0064338500000000, -0.0033477500000000 ] - [ -0.0013673500000000, -0.0017869400000000, -0.0049156800000000 ] - [ -0.0013673500000000, -0.0017869400000000, 0.0049156800000000 ] - [ -0.0006507700000000, -0.0024578300000000, 0.0002663000000000 ] - [ -0.0006507700000000, -0.0024578300000000, -0.0002663000000000 ] - [ -0.0003188500000000, -0.0025138200000000, 0.0000993000000000 ] - [ -0.0003188500000000, -0.0025138200000000, -0.0000993000000000 ] - [ -0.0003096800000000, -0.0027278200000000, 0.0000000000000000 ] - [ -0.0001633000000000, -0.0022243700000000, 0.0007507600000000 ] - [ -0.0001633000000000, -0.0022243700000000, -0.0007507600000000 ] - [ 0.0002826100000000, -0.0022044000000000, 0.0000000000000000 ] - [ 0.0006762800000000, -0.0026422900000000, 0.0003022800000000 ] - [ 0.0006762800000000, -0.0026422900000000, -0.0003022800000000 ] - [ 0.0004605300000000, -0.0026300700000000, -0.0001156200000000 ] - [ 0.0004605300000000, -0.0026300700000000, 0.0001156200000000 ] - [ 0.0009010500000000, -0.0026551300000000, -0.0000601900000000 ] - [ 0.0009010500000000, -0.0026551300000000, 0.0000601900000000 ] - [ 0.0041340500000000, 0.0010776300000000, -0.0060944000000000 ] - [ 0.0041340500000000, 0.0010776300000000, 0.0060944000000000 ] - [ 0.0183620600000000, -0.1323239000000000, 0.0000000000000000 ] - [ -0.0004817600000000, -0.0115790900000000, -0.0009310400000000 ] - [ -0.0004817600000000, -0.0115790900000000, 0.0009310400000000 ] - [ -0.0019262300000000, -0.0073978300000000, -0.0021364300000000 ] - [ -0.0019262300000000, -0.0073978300000000, 0.0021364300000000 ] - [ 0.0007768800000000, -0.0040145600000000, 0.0000000000000000 ] - [ 0.0000292100000000, -0.0026759000000000, 0.0020974600000000 ] - [ 0.0000292100000000, -0.0026759000000000, -0.0020974600000000 ] - [ -0.0037027500000000, 0.0050658100000000, 0.0000000000000000 ] - [ 0.0001320000000000, 0.0022560500000000, 0.0028471500000000 ] - [ 0.0001320000000000, 0.0022560500000000, -0.0028471500000000 ] - [ 0.0003527400000000, 0.0012065300000000, -0.0008279700000000 ] - [ 0.0003527400000000, 0.0012065300000000, 0.0008279700000000 ] - [ -0.0004890700000000, 0.0010079700000000, 0.0000000000000000 ] - [ -0.0002257200000000, 0.0021201600000000, 0.0003075000000000 ] - [ -0.0002257200000000, 0.0021201600000000, -0.0003075000000000 ] - [ 0.0001816300000000, 0.0019487700000000, 0.0000000000000000 ] - [ -0.0008614900000000, 0.0019890100000000, -0.0000381500000000 ] - [ -0.0008614900000000, 0.0019890100000000, 0.0000381500000000 ] - [ -0.0000560100000000, 0.0016969800000000, 0.0002904600000000 ] - [ -0.0000560100000000, 0.0016969800000000, -0.0002904600000000 ] - [ 0.0000725500000000, 0.0022720400000000, 0.0000000000000000 ] - [ 0.0004165500000000, 0.0011948900000000, 0.0000000000000000 ] - [ 0.0003034900000000, 0.0016595700000000, 0.0002769900000000 ] - [ 0.0003034900000000, 0.0016595700000000, -0.0002769900000000 ] - [ 0.0000830600000000, 0.0014717000000000, 0.0002200600000000 ] - [ 0.0000830600000000, 0.0014717000000000, -0.0002200600000000 ] - [ 0.0002988200000000, 0.0013529200000000, 0.0000000000000000 ] - [ 0.0005039000000000, 0.0026564800000000, 0.0003624000000000 ] - [ 0.0005039000000000, 0.0026564800000000, -0.0003624000000000 ] - [ 0.0008452400000000, 0.0014565300000000, 0.0000000000000000 ] - [ 0.0002870100000000, 0.0023550300000000, -0.0002557000000000 ] - [ 0.0002870100000000, 0.0023550300000000, 0.0002557000000000 ] - [ -0.0003522400000000, 0.0015799000000000, 0.0005667100000000 ] - [ -0.0003522400000000, 0.0015799000000000, -0.0005667100000000 ] - [ 0.0003885200000000, 0.0018762800000000, 0.0000000000000000 ] - [ -0.0005231500000000, 0.0024113700000000, -0.0009832100000000 ] - [ -0.0005231500000000, 0.0024113700000000, 0.0009832100000000 ] - [ 0.0009067100000000, -0.0021049600000000, 0.0000000000000000 ] - [ -0.0005611600000000, -0.0032955700000000, 0.0020865200000000 ] - [ -0.0005611600000000, -0.0032955700000000, -0.0020865200000000 ] - [ -0.0084427200000000, 0.0136648500000000, 0.0178361400000000 ] - [ -0.0084427200000000, 0.0136648500000000, -0.0178361400000000 ] - [ 0.0187054700000000, 0.0104331700000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060539600000000, -0.0161777400000000, 0.0000000000000000 ] - [ -0.0000370400000000, -0.0024997400000000, 0.0000000000000000 ] - [ -0.0000279500000000, 0.0027544600000000, 0.0000000000000000 ] - [ 0.0001009400000000, 0.0025268400000000, 0.0000000000000000 ] - [ -0.0000629200000000, 0.0030055200000000, 0.0000000000000000 ] - [ -0.0001280700000000, 0.0026923900000000, 0.0000000000000000 ] - [ 0.0002382800000000, 0.0005917000000000, 0.0000000000000000 ] - [ 0.0001252300000000, 0.0051549800000000, 0.0000000000000000 ] - [ 0.0248374700000000, -0.0396472200000000, 0.0000000000000000 ] - [ -0.0069790500000000, -0.0324748500000000, -0.0127201200000000 ] - [ -0.0001329300000000, -0.0090198200000000, 0.0000000000000000 ] - [ -0.0069790500000000, -0.0324748500000000, 0.0127201200000000 ] - [ 0.0006411700000000, -0.0064905200000000, -0.0031168900000000 ] - [ 0.0006411700000000, -0.0064905200000000, 0.0031168900000000 ] - [ 0.0000181600000000, 0.0016481700000000, 0.0045313100000000 ] - [ 0.0000181600000000, 0.0016481700000000, -0.0045313100000000 ] - [ -0.0006849600000000, 0.0025831900000000, -0.0005861200000000 ] - [ -0.0006849600000000, 0.0025831900000000, 0.0005861200000000 ] - [ -0.0006748500000000, 0.0026461000000000, -0.0003441400000000 ] - [ -0.0006748500000000, 0.0026461000000000, 0.0003441400000000 ] - [ 0.0003068900000000, 0.0027130700000000, 0.0000000000000000 ] - [ 0.0001619500000000, 0.0022123700000000, 0.0007064100000000 ] - [ 0.0001619500000000, 0.0022123700000000, -0.0007064100000000 ] - [ -0.0002804100000000, 0.0021919000000000, 0.0000000000000000 ] - [ 0.0003170500000000, 0.0024847400000000, -0.0000558100000000 ] - [ 0.0003170500000000, 0.0024847400000000, 0.0000558100000000 ] - [ 0.0008780900000000, 0.0024784600000000, -0.0002107500000000 ] - [ 0.0008780900000000, 0.0024784600000000, 0.0002107500000000 ] - [ 0.0004373800000000, 0.0027782300000000, 0.0003857200000000 ] - [ 0.0004373800000000, 0.0027782300000000, -0.0003857200000000 ] - [ -0.0031475400000000, -0.0009535100000000, 0.0063357400000000 ] - [ -0.0031475400000000, -0.0009535100000000, -0.0063357400000000 ] - [ -0.0183378900000000, 0.1320478300000000, 0.0000000000000000 ] - [ 0.0001268100000000, 0.0114494100000000, 0.0009738400000000 ] - [ 0.0001268100000000, 0.0114494100000000, -0.0009738400000000 ] - [ 0.0009718600000000, 0.0068477100000000, 0.0019792600000000 ] - [ 0.0009718600000000, 0.0068477100000000, -0.0019792600000000 ] - [ -0.0008618700000000, 0.0034150500000000, 0.0000000000000000 ] - [ -0.0007192300000000, 0.0031900600000000, -0.0020236200000000 ] - [ -0.0007192300000000, 0.0031900600000000, 0.0020236200000000 ] - [ 0.0023513500000000, -0.0048165900000000, 0.0000000000000000 ] - [ -0.0000899400000000, -0.0015223000000000, -0.0027632900000000 ] - [ -0.0000899400000000, -0.0015223000000000, 0.0027632900000000 ] - [ -0.0003078200000000, -0.0019181700000000, 0.0008649400000000 ] - [ -0.0003078200000000, -0.0019181700000000, -0.0008649400000000 ] - [ -0.0008267500000000, -0.0012051600000000, 0.0000000000000000 ] - [ -0.0004713300000000, -0.0026862400000000, -0.0002623700000000 ] - [ -0.0004713300000000, -0.0026862400000000, 0.0002623700000000 ] - [ -0.0002478100000000, -0.0013552000000000, 0.0000000000000000 ] - [ -0.0000991600000000, -0.0014629100000000, 0.0002653800000000 ] - [ -0.0000991600000000, -0.0014629100000000, -0.0002653800000000 ] - [ -0.0003017400000000, -0.0016439000000000, -0.0003021500000000 ] - [ -0.0003017400000000, -0.0016439000000000, 0.0003021500000000 ] - [ -0.0004052100000000, -0.0011578600000000, 0.0000000000000000 ] - [ -0.0000811400000000, -0.0022923500000000, 0.0000000000000000 ] - [ 0.0000610300000000, -0.0016955600000000, -0.0002513000000000 ] - [ 0.0000610300000000, -0.0016955600000000, 0.0002513000000000 ] - [ 0.0008646700000000, -0.0019776300000000, 0.0000088100000000 ] - [ 0.0008646700000000, -0.0019776300000000, -0.0000088100000000 ] - [ -0.0002166700000000, -0.0019235000000000, 0.0000000000000000 ] - [ 0.0001925200000000, -0.0020770800000000, -0.0004087700000000 ] - [ 0.0001925200000000, -0.0020770800000000, 0.0004087700000000 ] - [ 0.0004694600000000, -0.0012507100000000, 0.0000000000000000 ] - [ -0.0003250000000000, -0.0016233200000000, 0.0002046300000000 ] - [ -0.0003250000000000, -0.0016233200000000, -0.0002046300000000 ] - [ 0.0003116900000000, -0.0022887100000000, -0.0006129500000000 ] - [ 0.0003116900000000, -0.0022887100000000, 0.0006129500000000 ] - [ 0.0009248000000000, -0.0020665200000000, 0.0000000000000000 ] - [ 0.0012212500000000, -0.0029766900000000, 0.0010358700000000 ] - [ 0.0012212500000000, -0.0029766900000000, -0.0010358700000000 ] - [ -0.0008210400000000, 0.0026920300000000, 0.0000000000000000 ] - [ 0.0015129600000000, 0.0038201400000000, -0.0022929000000000 ] - [ 0.0015129600000000, 0.0038201400000000, 0.0022929000000000 ] - [ 0.0089335800000000, -0.0138205500000000, -0.0181099500000000 ] - [ 0.0089335800000000, -0.0138205500000000, 0.0181099500000000 ] - [ -0.0186397800000000, -0.0094266100000000, 0.0000000000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001017400000000, 0.0001086600000000, 0.0048397200000000 ] - [ 0.0000496900000000, 0.0001730700000000, -0.0039041500000000 ] - [ 0.0000500600000000, -0.0001884200000000, 0.0002371300000000 ] - [ 0.0000773400000000, -0.0001495600000000, -0.0001686800000000 ] - [ -0.0000776800000000, 0.0001441200000000, -0.0001214500000000 ] - [ -0.0000488300000000, 0.0001842200000000, 0.0001660200000000 ] - [ -0.0000487100000000, -0.0001835400000000, -0.0019361700000000 ] - [ -0.0000705200000000, -0.0001607700000000, 0.0031850500000000 ] - [ -0.0001177000000000, 0.0000744400000000, 0.0228323800000000 ] - [ 0.0059184700000000, 0.0044029600000000, 0.0246056300000000 ] - [ 0.0000168500000000, 0.0000402700000000, -0.0120645900000000 ] - [ -0.0069315400000000, -0.0055507600000000, 0.0275322400000000 ] - [ 0.0044993800000000, 0.0036963400000000, -0.0097486800000000 ] - [ -0.0055769200000000, -0.0038581100000000, -0.0099974000000000 ] - [ -0.0004281100000000, -0.0019612100000000, 0.0010636200000000 ] - [ -0.0009002200000000, 0.0018049600000000, 0.0013818800000000 ] - [ -0.0005659100000000, 0.0004834900000000, -0.0004135200000000 ] - [ -0.0007627900000000, -0.0003427300000000, -0.0000760100000000 ] - [ -0.0004969900000000, 0.0001688600000000, -0.0001087500000000 ] - [ -0.0005092800000000, -0.0000124400000000, 0.0001418600000000 ] - [ -0.0000007900000000, -0.0000017100000000, 0.0000364000000000 ] - [ -0.0000005600000000, 0.0000020900000000, 0.0007163200000000 ] - [ -0.0000007200000000, -0.0000065800000000, -0.0007534600000000 ] - [ 0.0000003800000000, -0.0000018400000000, -0.0000301500000000 ] - [ 0.0005082300000000, -0.0000252700000000, 0.0001374400000000 ] - [ 0.0004990100000000, -0.0001367100000000, -0.0001121400000000 ] - [ 0.0005554000000000, -0.0003239600000000, -0.0003248900000000 ] - [ 0.0007742000000000, 0.0001743100000000, 0.0000131300000000 ] - [ 0.0010663000000000, -0.0009209300000000, 0.0011711800000000 ] - [ 0.0002628400000000, 0.0010652900000000, 0.0008388500000000 ] - [ 0.0021709100000000, -0.0021469700000000, -0.0063944200000000 ] - [ -0.0011526600000000, 0.0023095900000000, -0.0066204500000000 ] - [ 0.0008417800000000, 0.0006793600000000, -0.1057345300000000 ] - [ -0.0000109200000000, -0.0007008500000000, 0.0037131500000000 ] - [ -0.0003883200000000, 0.0006335300000000, 0.0036790900000000 ] - [ -0.0003370400000000, -0.0006158500000000, 0.0210894600000000 ] - [ -0.0005911600000000, 0.0001006400000000, 0.0215706600000000 ] - [ -0.0000475200000000, -0.0002906900000000, 0.0061223000000000 ] - [ 0.0003009000000000, 0.0030850900000000, 0.0011649900000000 ] - [ -0.0009805700000000, -0.0025421400000000, 0.0011110100000000 ] - [ -0.0006500600000000, 0.0000886600000000, -0.0012158600000000 ] - [ -0.0003639500000000, 0.0007923000000000, -0.0001221800000000 ] - [ 0.0003853400000000, -0.0000963200000000, -0.0001619700000000 ] - [ -0.0000244900000000, -0.0008417900000000, -0.0000698600000000 ] - [ 0.0000481700000000, 0.0001591400000000, -0.0001181900000000 ] - [ -0.0006562000000000, -0.0000959400000000, 0.0003374900000000 ] - [ -0.0003762500000000, -0.0004466600000000, -0.0000230400000000 ] - [ -0.0003108600000000, -0.0000822400000000, -0.0000852700000000 ] - [ -0.0000473000000000, 0.0002896600000000, -0.0000475500000000 ] - [ -0.0004466900000000, 0.0002451500000000, 0.0000928200000000 ] - [ -0.0004759000000000, 0.0002894500000000, -0.0001260800000000 ] - [ -0.0001740600000000, 0.0000471000000000, 0.0000066800000000 ] - [ -0.0001924200000000, 0.0000121300000000, 0.0000402400000000 ] - [ -0.0001635400000000, 0.0005580400000000, 0.0000235700000000 ] - [ 0.0001641600000000, -0.0005548900000000, 0.0000213600000000 ] - [ 0.0001893000000000, -0.0000187800000000, 0.0000338600000000 ] - [ 0.0001789400000000, -0.0000348600000000, -0.0000028400000000 ] - [ 0.0004548500000000, -0.0002544000000000, 0.0000962000000000 ] - [ 0.0004665400000000, -0.0002746300000000, -0.0001231300000000 ] - [ 0.0000495100000000, -0.0002866900000000, -0.0000326100000000 ] - [ 0.0003166500000000, 0.0001618000000000, -0.0000643700000000 ] - [ 0.0003706300000000, 0.0003735300000000, -0.0000026200000000 ] - [ 0.0006560300000000, 0.0000980000000000, 0.0001996800000000 ] - [ -0.0000575400000000, -0.0000361200000000, -0.0000959900000000 ] - [ 0.0000336000000000, 0.0007230400000000, -0.0000487900000000 ] - [ -0.0001769600000000, -0.0001708300000000, -0.0001841800000000 ] - [ 0.0001594900000000, -0.0005156400000000, -0.0001394800000000 ] - [ 0.0006554100000000, -0.0000942000000000, -0.0008576000000000 ] - [ 0.0007619400000000, -0.0030296600000000, 0.0012122900000000 ] - [ -0.0000768300000000, 0.0024971400000000, 0.0011515100000000 ] - [ 0.0000539600000000, 0.0002757300000000, 0.0049498300000000 ] - [ 0.0010735400000000, 0.0022543900000000, 0.0026748400000000 ] - [ -0.0001525400000000, -0.0017304300000000, 0.0028635700000000 ] - [ -0.0084506800000000, 0.0187237100000000, 0.0070317200000000 ] - [ 0.0089113200000000, -0.0188315800000000, 0.0070026000000000 ] - [ 0.0002189100000000, 0.0005964500000000, -0.0130566800000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031203100000000, 0.0027349600000000, 0.0017550500000000 ] - [ 0.0002422800000000, -0.0002595600000000, -0.0003095900000000 ] - [ 0.0000315300000000, -0.0000333000000000, 0.0001926800000000 ] - [ 0.0000449200000000, 0.0001156400000000, -0.0001413700000000 ] - [ -0.0000732000000000, 0.0003446700000000, -0.0000112800000000 ] - [ -0.0000588900000000, 0.0003540200000000, 0.0000152900000000 ] - [ -0.0003307700000000, 0.0002604100000000, -0.0000055800000000 ] - [ -0.0011379200000000, 0.0000476400000000, 0.0006898800000000 ] - [ 0.0145168100000000, 0.0063616200000000, -0.0038918900000000 ] - [ 0.0221791300000000, -0.0157140800000000, -0.0030443400000000 ] - [ -0.0004642200000000, -0.0026292100000000, 0.0002224800000000 ] - [ -0.0008831400000000, -0.0023854300000000, -0.0002566900000000 ] - [ 0.0416330200000000, -0.0209423800000000, 0.0485172400000000 ] - [ -0.0010324900000000, -0.0006148900000000, -0.0007711000000000 ] - [ -0.0011824600000000, -0.0000106800000000, -0.0000996900000000 ] - [ -0.0019408300000000, 0.0021558200000000, 0.0022721200000000 ] - [ -0.0002353600000000, 0.0004492700000000, -0.0002209600000000 ] - [ -0.0003919600000000, -0.0002715000000000, -0.0001170800000000 ] - [ -0.0005101300000000, 0.0002973100000000, -0.0001185400000000 ] - [ -0.0005190200000000, 0.0001554400000000, 0.0001429200000000 ] - [ 0.0000155000000000, 0.0001808200000000, 0.0000184500000000 ] - [ 0.0000103100000000, 0.0001627900000000, 0.0007246800000000 ] - [ 0.0000080700000000, 0.0001455900000000, -0.0007426600000000 ] - [ -0.0000137500000000, 0.0001526400000000, -0.0000145800000000 ] - [ 0.0004934000000000, 0.0000980800000000, 0.0001145700000000 ] - [ 0.0004908500000000, 0.0000919300000000, -0.0001090500000000 ] - [ 0.0006644900000000, 0.0000883500000000, -0.0002048100000000 ] - [ 0.0006938500000000, 0.0001252100000000, 0.0001823900000000 ] - [ 0.0007267400000000, 0.0001097600000000, 0.0003364300000000 ] - [ 0.0006398600000000, 0.0003663100000000, -0.0001330600000000 ] - [ 0.0045107000000000, -0.0017354400000000, -0.0034934800000000 ] - [ 0.0010978300000000, -0.0000339900000000, -0.0005104600000000 ] - [ 0.0262104900000000, -0.0008676000000000, 0.0003344700000000 ] - [ -0.1389788000000000, 0.0380579000000000, -0.0490249400000000 ] - [ -0.0012389600000000, 0.0005407600000000, 0.0002005900000000 ] - [ 0.0251731800000000, 0.0040381200000000, -0.0024964300000000 ] - [ -0.0007008900000000, 0.0000180600000000, 0.0001447300000000 ] - [ 0.0002437900000000, -0.0001938600000000, 0.0008916600000000 ] - [ -0.0003199600000000, 0.0003751700000000, 0.0006313000000000 ] - [ -0.0010024900000000, -0.0066740500000000, 0.0038239100000000 ] - [ -0.0007734000000000, -0.0001766100000000, -0.0010687900000000 ] - [ 0.0004834600000000, 0.0012228500000000, 0.0012983100000000 ] - [ 0.0004707400000000, 0.0004439700000000, -0.0006464300000000 ] - [ -0.0001092600000000, -0.0011996400000000, -0.0001750300000000 ] - [ 0.0000198500000000, -0.0003522500000000, -0.0000198000000000 ] - [ -0.0007543300000000, -0.0001503300000000, 0.0003191200000000 ] - [ -0.0004011100000000, -0.0004859400000000, -0.0000367000000000 ] - [ -0.0003447700000000, -0.0002336900000000, -0.0000404200000000 ] - [ -0.0000499400000000, 0.0001907400000000, -0.0000328500000000 ] - [ -0.0004294400000000, 0.0001262100000000, 0.0001079700000000 ] - [ -0.0004553500000000, 0.0001653100000000, -0.0001300800000000 ] - [ -0.0001780200000000, -0.0000771500000000, -0.0000082600000000 ] - [ -0.0001930900000000, -0.0001066200000000, 0.0000417100000000 ] - [ -0.0001835600000000, 0.0004210900000000, 0.0000129600000000 ] - [ 0.0001466000000000, -0.0006686700000000, 0.0000087000000000 ] - [ 0.0001810500000000, -0.0001381900000000, 0.0000054900000000 ] - [ 0.0001753600000000, -0.0001376000000000, 0.0000084300000000 ] - [ 0.0004823900000000, -0.0003765800000000, 0.0000997700000000 ] - [ 0.0004867000000000, -0.0003728100000000, -0.0001071000000000 ] - [ 0.0000288200000000, -0.0004000000000000, -0.0000139700000000 ] - [ 0.0003346100000000, 0.0001187700000000, -0.0000538700000000 ] - [ 0.0003396400000000, 0.0001196200000000, 0.0000522300000000 ] - [ 0.0006427000000000, -0.0000183100000000, 0.0000045500000000 ] - [ -0.0000360000000000, 0.0001969800000000, -0.0000124000000000 ] - [ -0.0000196200000000, 0.0002690300000000, -0.0000061100000000 ] - [ -0.0000504100000000, -0.0004707200000000, -0.0000107200000000 ] - [ 0.0000180400000000, -0.0004563500000000, -0.0001465000000000 ] - [ 0.0007443400000000, -0.0002551900000000, -0.0000917800000000 ] - [ 0.0003041300000000, -0.0004626600000000, 0.0000480800000000 ] - [ -0.0002138100000000, 0.0000759800000000, 0.0004597700000000 ] - [ -0.0000312800000000, 0.0003905400000000, 0.0004176900000000 ] - [ 0.0000409100000000, -0.0055193300000000, -0.0053828800000000 ] - [ 0.0005462000000000, 0.0007956900000000, 0.0003994900000000 ] - [ 0.0074739000000000, 0.0100972800000000, 0.0007567100000000 ] - [ 0.0001596000000000, 0.0001082600000000, -0.0002291900000000 ] - [ -0.0005875000000000, -0.0081460100000000, 0.0086785700000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029522400000000, -0.0023984600000000, -0.0017221800000000 ] - [ -0.0001328700000000, 0.0006208000000000, 0.0003198800000000 ] - [ 0.0000707700000000, -0.0003438200000000, -0.0001889400000000 ] - [ 0.0001078700000000, -0.0004102600000000, 0.0001425300000000 ] - [ -0.0000795900000000, -0.0000482500000000, 0.0000107400000000 ] - [ -0.0000435100000000, 0.0000229400000000, -0.0000145600000000 ] - [ 0.0002304300000000, -0.0006368800000000, 0.0000060000000000 ] - [ 0.0009899200000000, -0.0003498300000000, -0.0006933900000000 ] - [ -0.0146590600000000, -0.0067495200000000, 0.0043978500000000 ] - [ -0.0200088000000000, 0.0140494400000000, 0.0014502600000000 ] - [ 0.0005055100000000, 0.0026624500000000, -0.0001903000000000 ] - [ 0.0009245300000000, 0.0024291300000000, 0.0017034500000000 ] - [ -0.0430907300000000, 0.0214834200000000, -0.0501148500000000 ] - [ -0.0000127100000000, 0.0004698900000000, 0.0005201700000000 ] - [ -0.0001545000000000, -0.0001321300000000, -0.0002325600000000 ] - [ 0.0005936900000000, -0.0022891200000000, -0.0019186600000000 ] - [ -0.0010947400000000, -0.0003086000000000, -0.0001098400000000 ] - [ -0.0009426100000000, 0.0004130400000000, 0.0004443500000000 ] - [ -0.0004904900000000, -0.0001397600000000, -0.0001314900000000 ] - [ -0.0004824300000000, -0.0000006000000000, 0.0001070900000000 ] - [ -0.0000147600000000, -0.0001805400000000, -0.0000181900000000 ] - [ -0.0000140000000000, -0.0001634600000000, 0.0007337500000000 ] - [ -0.0000052100000000, -0.0001453300000000, -0.0007159800000000 ] - [ 0.0000150200000000, -0.0001521800000000, 0.0000149900000000 ] - [ 0.0005080800000000, -0.0002554600000000, 0.0001339400000000 ] - [ 0.0005112900000000, -0.0002492000000000, -0.0001370400000000 ] - [ 0.0006730500000000, -0.0002297300000000, -0.0001262900000000 ] - [ 0.0006421400000000, -0.0002673700000000, 0.0001474600000000 ] - [ 0.0006093300000000, 0.0000344100000000, -0.0000086200000000 ] - [ 0.0006966600000000, -0.0002261600000000, -0.0001954800000000 ] - [ -0.0035295800000000, 0.0018853400000000, 0.0037327500000000 ] - [ -0.0001038800000000, 0.0001882700000000, 0.0002681900000000 ] - [ -0.0265034400000000, -0.0002620200000000, -0.0000321500000000 ] - [ 0.1370947600000000, -0.0366230100000000, 0.0504243500000000 ] - [ 0.0008515700000000, -0.0005959300000000, -0.0002279800000000 ] - [ -0.0260561100000000, -0.0045566700000000, 0.0019765600000000 ] - [ -0.0002208300000000, -0.0005360100000000, 0.0000667300000000 ] - [ -0.0003392600000000, -0.0003875400000000, -0.0008436200000000 ] - [ -0.0003773100000000, 0.0001877900000000, -0.0005833400000000 ] - [ 0.0003623000000000, 0.0072100400000000, -0.0038560100000000 ] - [ -0.0005506500000000, 0.0003905700000000, 0.0010603300000000 ] - [ -0.0004395000000000, -0.0004864300000000, -0.0012444100000000 ] - [ -0.0004194800000000, 0.0002893900000000, 0.0005922600000000 ] - [ 0.0001451300000000, 0.0004676900000000, 0.0002214500000000 ] - [ 0.0000237200000000, -0.0003734700000000, -0.0000277200000000 ] - [ -0.0005658600000000, -0.0000605800000000, -0.0003192800000000 ] - [ -0.0002985000000000, -0.0000930200000000, 0.0000770600000000 ] - [ -0.0003585500000000, -0.0003290900000000, 0.0000026600000000 ] - [ -0.0000477000000000, 0.0003899300000000, 0.0000462600000000 ] - [ -0.0004973800000000, 0.0003926900000000, 0.0001111400000000 ] - [ -0.0004548800000000, 0.0003505700000000, -0.0000862600000000 ] - [ -0.0002057000000000, 0.0001224200000000, -0.0000414300000000 ] - [ -0.0001812700000000, 0.0001560100000000, -0.0000080000000000 ] - [ -0.0001393100000000, 0.0006855200000000, -0.0000139800000000 ] - [ 0.0001777200000000, -0.0004359900000000, -0.0000100100000000 ] - [ 0.0001950000000000, 0.0000933300000000, 0.0000314100000000 ] - [ 0.0001917100000000, 0.0000843500000000, -0.0000325200000000 ] - [ 0.0004391400000000, -0.0001371900000000, 0.0001179000000000 ] - [ 0.0004521700000000, -0.0001494000000000, -0.0001107100000000 ] - [ 0.0000580900000000, -0.0001844700000000, -0.0000009700000000 ] - [ 0.0003644000000000, 0.0004707300000000, 0.0000131400000000 ] - [ 0.0003585900000000, 0.0004504900000000, -0.0000073400000000 ] - [ 0.0006760500000000, 0.0002284300000000, -0.0000059100000000 ] - [ -0.0000019300000000, 0.0005331900000000, -0.0000396300000000 ] - [ -0.0000150500000000, 0.0004562500000000, 0.0000550400000000 ] - [ 0.0000098400000000, -0.0002561600000000, -0.0000374400000000 ] - [ -0.0000590400000000, -0.0002683400000000, 0.0001932200000000 ] - [ 0.0005737900000000, 0.0000453800000000, 0.0000953300000000 ] - [ 0.0003953200000000, -0.0001382200000000, -0.0000089600000000 ] - [ 0.0009140700000000, -0.0006625600000000, -0.0005016700000000 ] - [ 0.0001117900000000, 0.0001903600000000, -0.0004125000000000 ] - [ 0.0008346800000000, 0.0060172900000000, 0.0051553100000000 ] - [ 0.0003995500000000, -0.0002678800000000, -0.0001858200000000 ] - [ -0.0071592200000000, -0.0101540200000000, -0.0007863500000000 ] - [ 0.0002078500000000, -0.0000646000000000, 0.0002416000000000 ] - [ 0.0007871500000000, 0.0092277200000000, -0.0086727800000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016052100000000, 0.0111933600000000, 0.0000726100000000 ] - [ -0.0005547000000000, 0.0028702900000000, 0.0035615400000000 ] - [ 0.0001247000000000, -0.0025923400000000, -0.0003932600000000 ] - [ 0.0000672500000000, -0.0029025700000000, 0.0002881000000000 ] - [ -0.0001024700000000, -0.0025929200000000, -0.0000373600000000 ] - [ 0.0000195200000000, -0.0022032700000000, 0.0000521800000000 ] - [ 0.0001543200000000, -0.0019639500000000, -0.0011443300000000 ] - [ 0.0009545100000000, -0.0043317900000000, 0.0011937400000000 ] - [ 0.0075843500000000, 0.0271846000000000, -0.0103756300000000 ] - [ -0.0170834500000000, 0.0311556000000000, -0.0016709700000000 ] - [ 0.0008762000000000, 0.0106555100000000, -0.0019289600000000 ] - [ 0.0019589100000000, 0.0099159000000000, 0.0060412900000000 ] - [ -0.0197218100000000, 0.0254555500000000, -0.0275075600000000 ] - [ 0.0001032000000000, 0.0054834900000000, 0.0021741300000000 ] - [ -0.0015801600000000, 0.0000062400000000, -0.0028727500000000 ] - [ 0.0008038600000000, -0.0053403400000000, -0.0027082300000000 ] - [ -0.0011808100000000, -0.0029049000000000, 0.0002276300000000 ] - [ -0.0004695900000000, -0.0018638100000000, 0.0004622400000000 ] - [ -0.0003368800000000, -0.0025173400000000, 0.0000346100000000 ] - [ -0.0003235900000000, -0.0022479300000000, -0.0000826600000000 ] - [ -0.0002928200000000, -0.0025893400000000, -0.0000283300000000 ] - [ -0.0001657400000000, -0.0021533600000000, 0.0007526300000000 ] - [ -0.0001517000000000, -0.0021141600000000, -0.0007243800000000 ] - [ 0.0002641000000000, -0.0021225400000000, 0.0000232600000000 ] - [ 0.0006758900000000, -0.0025188300000000, 0.0003032300000000 ] - [ 0.0006777400000000, -0.0025682000000000, -0.0003034800000000 ] - [ 0.0005102800000000, -0.0026574900000000, -0.0001450700000000 ] - [ 0.0005806000000000, -0.0025009900000000, 0.0000329600000000 ] - [ 0.0008159600000000, -0.0026298300000000, 0.0000923600000000 ] - [ 0.0005370600000000, -0.0019501800000000, 0.0005693700000000 ] - [ -0.0016921900000000, -0.0034270800000000, -0.0053761000000000 ] - [ 0.0003870900000000, 0.0008451500000000, 0.0007549100000000 ] - [ -0.0008125800000000, -0.0120650800000000, -0.0006919900000000 ] - [ 0.0368532300000000, -0.1077797600000000, 0.0599688400000000 ] - [ 0.0003874000000000, -0.0085726000000000, -0.0026617400000000 ] - [ -0.0029803000000000, -0.0109725300000000, -0.0011391200000000 ] - [ -0.0012721700000000, -0.0043026100000000, -0.0011301900000000 ] - [ 0.0008200000000000, -0.0061697700000000, -0.0041034600000000 ] - [ -0.0002846200000000, -0.0034693000000000, -0.0001798600000000 ] - [ -0.0064560300000000, 0.0126153500000000, -0.0084396200000000 ] - [ -0.0005560100000000, 0.0017948000000000, 0.0021495400000000 ] - [ 0.0002641700000000, 0.0023565700000000, 0.0024707600000000 ] - [ -0.0008583900000000, 0.0025465500000000, -0.0006963200000000 ] - [ 0.0004618700000000, 0.0024940500000000, 0.0000526400000000 ] - [ 0.0002214600000000, 0.0006042800000000, 0.0003624200000000 ] - [ -0.0004932500000000, 0.0010880100000000, -0.0003940000000000 ] - [ -0.0001226400000000, 0.0022418100000000, 0.0004715300000000 ] - [ -0.0002660200000000, 0.0017707300000000, -0.0003137100000000 ] - [ 0.0001982900000000, 0.0018570500000000, 0.0000571300000000 ] - [ -0.0008593700000000, 0.0019506500000000, 0.0000199700000000 ] - [ -0.0008119600000000, 0.0018723400000000, 0.0000188100000000 ] - [ -0.0000867100000000, 0.0016109500000000, 0.0002196600000000 ] - [ -0.0000578400000000, 0.0016671900000000, -0.0002799300000000 ] - [ 0.0000799800000000, 0.0022230000000000, -0.0000191500000000 ] - [ 0.0003929800000000, 0.0011319600000000, -0.0000099500000000 ] - [ 0.0003042700000000, 0.0015959100000000, 0.0002815800000000 ] - [ 0.0003037800000000, 0.0015799500000000, -0.0002819400000000 ] - [ 0.0000801800000000, 0.0013897900000000, 0.0002253300000000 ] - [ 0.0000962000000000, 0.0013634700000000, -0.0002233300000000 ] - [ 0.0002884200000000, 0.0012685600000000, 0.0000000500000000 ] - [ 0.0004846900000000, 0.0025158900000000, 0.0003379100000000 ] - [ 0.0005030700000000, 0.0026052100000000, -0.0003635200000000 ] - [ 0.0008296800000000, 0.0014791700000000, 0.0000717600000000 ] - [ 0.0002429400000000, 0.0020457000000000, -0.0002799700000000 ] - [ 0.0002511900000000, 0.0022833600000000, 0.0002374100000000 ] - [ -0.0002310500000000, 0.0016589100000000, 0.0004289100000000 ] - [ -0.0001212100000000, 0.0015431700000000, -0.0005013300000000 ] - [ 0.0002544400000000, 0.0016006900000000, -0.0002853200000000 ] - [ 0.0002029900000000, 0.0003341000000000, 0.0000902800000000 ] - [ 0.0002423200000000, 0.0019799200000000, 0.0002567000000000 ] - [ 0.0005185300000000, -0.0016596600000000, 0.0015941600000000 ] - [ -0.0034900300000000, 0.0068568500000000, 0.0112174400000000 ] - [ 0.0001440400000000, -0.0025260100000000, -0.0006938600000000 ] - [ 0.0102266500000000, 0.0074318400000000, 0.0013314400000000 ] - [ 0.0002729600000000, -0.0020830000000000, -0.0018874100000000 ] - [ -0.0102103800000000, 0.0141699900000000, -0.0186262500000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012609900000000, -0.0105475900000000, 0.0001510000000000 ] - [ 0.0006516800000000, -0.0024512800000000, -0.0035416100000000 ] - [ -0.0000218100000000, 0.0022094800000000, 0.0003918300000000 ] - [ 0.0000873700000000, 0.0025957800000000, -0.0002858600000000 ] - [ -0.0000528600000000, 0.0028854700000000, 0.0000369500000000 ] - [ -0.0001209900000000, 0.0025749800000000, -0.0000526700000000 ] - [ -0.0002579000000000, 0.0015791300000000, 0.0011460100000000 ] - [ -0.0011122200000000, 0.0040263700000000, -0.0011985100000000 ] - [ -0.0081050400000000, -0.0276308200000000, 0.0112848200000000 ] - [ 0.0181691900000000, -0.0316259800000000, 0.0002034300000000 ] - [ -0.0008808600000000, -0.0107195700000000, 0.0019024800000000 ] - [ -0.0019676700000000, -0.0099714100000000, -0.0045559400000000 ] - [ 0.0185469900000000, -0.0258493800000000, 0.0275105700000000 ] - [ -0.0011321300000000, -0.0055876300000000, -0.0024318300000000 ] - [ 0.0002360900000000, -0.0001383300000000, 0.0025122200000000 ] - [ -0.0021391400000000, 0.0051811800000000, 0.0030447200000000 ] - [ -0.0001537400000000, 0.0030372300000000, -0.0005611100000000 ] - [ -0.0008643700000000, 0.0020021000000000, -0.0001279500000000 ] - [ -0.0006665900000000, 0.0026651700000000, -0.0002846600000000 ] - [ -0.0006816400000000, 0.0023987400000000, 0.0003327600000000 ] - [ 0.0002910000000000, 0.0025815200000000, 0.0000272500000000 ] - [ 0.0001624600000000, 0.0021476100000000, 0.0007129900000000 ] - [ 0.0001542400000000, 0.0021078600000000, -0.0007394700000000 ] - [ -0.0002637500000000, 0.0021162100000000, -0.0000228000000000 ] - [ 0.0003272700000000, 0.0023564800000000, -0.0000527100000000 ] - [ 0.0003273700000000, 0.0024046700000000, 0.0000519500000000 ] - [ 0.0008253600000000, 0.0025074000000000, -0.0001892900000000 ] - [ 0.0007517300000000, 0.0023508000000000, 0.0002997800000000 ] - [ 0.0005175500000000, 0.0027664300000000, 0.0002421900000000 ] - [ 0.0008021700000000, 0.0020842800000000, -0.0009045600000000 ] - [ 0.0027067800000000, 0.0035797800000000, 0.0056357400000000 ] - [ 0.0006214900000000, -0.0007033900000000, -0.0010027200000000 ] - [ 0.0005475300000000, 0.0109536900000000, 0.0006360100000000 ] - [ -0.0377948700000000, 0.1089168700000000, -0.0609184200000000 ] - [ -0.0007516800000000, 0.0084990900000000, 0.0026329900000000 ] - [ 0.0020431900000000, 0.0104174900000000, 0.0009794300000000 ] - [ 0.0003377200000000, 0.0037672200000000, 0.0013481600000000 ] - [ -0.0009133000000000, 0.0055497200000000, 0.0041745000000000 ] - [ -0.0004055200000000, 0.0039840100000000, 0.0002423500000000 ] - [ 0.0056785300000000, -0.0119289400000000, 0.0082484800000000 ] - [ -0.0007574100000000, -0.0015805400000000, -0.0021439700000000 ] - [ -0.0002304500000000, -0.0016313000000000, -0.0023979200000000 ] - [ 0.0008926000000000, -0.0018351300000000, 0.0006417000000000 ] - [ -0.0004347300000000, -0.0031955000000000, -0.0000038700000000 ] - [ -0.0001859600000000, -0.0013126700000000, -0.0004065700000000 ] - [ -0.0008214600000000, -0.0012850800000000, 0.0003850400000000 ] - [ -0.0005682700000000, -0.0027804300000000, -0.0004154300000000 ] - [ -0.0004301600000000, -0.0023189800000000, 0.0002631300000000 ] - [ -0.0002862800000000, -0.0012681300000000, -0.0000550600000000 ] - [ -0.0000704300000000, -0.0014196200000000, 0.0002021700000000 ] - [ -0.0001120500000000, -0.0013419200000000, -0.0002398300000000 ] - [ -0.0002860100000000, -0.0015535900000000, -0.0002558700000000 ] - [ -0.0003129800000000, -0.0016092300000000, 0.0003127200000000 ] - [ -0.0004021400000000, -0.0011099600000000, 0.0000179800000000 ] - [ -0.0000689100000000, -0.0022363700000000, 0.0000085900000000 ] - [ 0.0000693800000000, -0.0016430200000000, -0.0002437000000000 ] - [ 0.0000702800000000, -0.0016282800000000, 0.0002441800000000 ] - [ 0.0008418700000000, -0.0019091900000000, -0.0000033300000000 ] - [ 0.0008288900000000, -0.0018841200000000, 0.0000019400000000 ] - [ -0.0001960100000000, -0.0018464600000000, -0.0000023800000000 ] - [ 0.0002096100000000, -0.0019639500000000, -0.0003886300000000 ] - [ 0.0001922900000000, -0.0020444800000000, 0.0004142600000000 ] - [ 0.0004855000000000, -0.0012759900000000, -0.0000628200000000 ] - [ -0.0002687400000000, -0.0013273700000000, 0.0002288600000000 ] - [ -0.0002918300000000, -0.0015767600000000, -0.0001925400000000 ] - [ 0.0002084400000000, -0.0023685200000000, -0.0004805900000000 ] - [ 0.0000805400000000, -0.0022429500000000, 0.0005471600000000 ] - [ 0.0010605700000000, -0.0017959200000000, 0.0002992000000000 ] - [ 0.0004924800000000, -0.0008789600000000, -0.0000421300000000 ] - [ 0.0004492900000000, -0.0025094800000000, -0.0003152400000000 ] - [ -0.0004248600000000, 0.0022538200000000, -0.0015910000000000 ] - [ 0.0044706100000000, -0.0064231000000000, -0.0115697900000000 ] - [ 0.0007845300000000, 0.0030638400000000, 0.0009091900000000 ] - [ -0.0100234700000000, -0.0074679600000000, -0.0013781200000000 ] - [ 0.0001008700000000, 0.0021626700000000, 0.0019086400000000 ] - [ 0.0106957300000000, -0.0133078200000000, 0.0189255700000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026234200000000, -0.0004608300000000, 0.0057195400000000 ] - [ 0.0008583500000000, 0.0033159600000000, -0.0039071500000000 ] - [ 0.0000271000000000, -0.0000885000000000, 0.0003892100000000 ] - [ 0.0000572600000000, 0.0004457100000000, -0.0002765300000000 ] - [ -0.0000779200000000, 0.0005562200000000, -0.0000296500000000 ] - [ -0.0000614700000000, 0.0006630000000000, 0.0000404500000000 ] - [ 0.0001008900000000, -0.0011932200000000, -0.0009292900000000 ] - [ -0.0010966800000000, 0.0024197000000000, 0.0006434800000000 ] - [ -0.0105398400000000, -0.0105562500000000, 0.0241529300000000 ] - [ -0.0004466500000000, -0.0021055600000000, 0.0206451500000000 ] - [ 0.0028007300000000, -0.0059266000000000, -0.0080285700000000 ] - [ -0.0029871100000000, 0.0013766200000000, -0.0084776600000000 ] - [ 0.0529661400000000, -0.0272673200000000, 0.0896769000000000 ] - [ -0.0008276200000000, -0.0014496100000000, -0.0130114000000000 ] - [ -0.0010687400000000, -0.0004942000000000, -0.0013808600000000 ] - [ -0.0021296400000000, 0.0029882000000000, 0.0059802300000000 ] - [ -0.0001597700000000, 0.0010898600000000, -0.0002399700000000 ] - [ -0.0004820700000000, -0.0002525800000000, -0.0005085300000000 ] - [ -0.0005190600000000, 0.0005972800000000, -0.0001030700000000 ] - [ -0.0005368800000000, 0.0003102500000000, 0.0001531700000000 ] - [ 0.0000412800000000, 0.0004067400000000, 0.0000392200000000 ] - [ 0.0000290600000000, 0.0003634200000000, 0.0007269900000000 ] - [ 0.0000227100000000, 0.0003313800000000, -0.0007659200000000 ] - [ -0.0000385500000000, 0.0003482500000000, -0.0000326800000000 ] - [ 0.0004727000000000, 0.0003295000000000, 0.0000915200000000 ] - [ 0.0004689800000000, 0.0003087500000000, -0.0000779600000000 ] - [ 0.0006580200000000, 0.0002419900000000, -0.0001040300000000 ] - [ 0.0006957600000000, 0.0003609400000000, 0.0000185400000000 ] - [ 0.0008089800000000, 0.0001207800000000, 0.0011488400000000 ] - [ 0.0006644000000000, 0.0006462800000000, -0.0007114600000000 ] - [ -0.0033160300000000, -0.0040653200000000, 0.0026508900000000 ] - [ 0.0004535400000000, 0.0003418400000000, -0.0045333800000000 ] - [ -0.0010106800000000, -0.0015204800000000, 0.0036675400000000 ] - [ -0.0478009400000000, 0.0599409200000000, -0.1829702100000000 ] - [ -0.0004031300000000, 0.0026296500000000, 0.0246591600000000 ] - [ -0.0025753600000000, 0.0014537200000000, 0.0042427400000000 ] - [ -0.0002666400000000, 0.0007924200000000, 0.0059919200000000 ] - [ 0.0004213600000000, -0.0013039700000000, 0.0223890100000000 ] - [ -0.0002666800000000, 0.0006222200000000, 0.0029619800000000 ] - [ 0.0033729900000000, -0.0120151200000000, 0.0001397300000000 ] - [ -0.0008964400000000, 0.0016472100000000, -0.0016492600000000 ] - [ 0.0002778500000000, 0.0010778000000000, 0.0022863000000000 ] - [ 0.0009780200000000, -0.0002774100000000, -0.0019782100000000 ] - [ -0.0001417200000000, -0.0019344400000000, -0.0005172300000000 ] - [ 0.0000833300000000, -0.0002803300000000, 0.0002304200000000 ] - [ -0.0007405600000000, -0.0004336900000000, 0.0005869100000000 ] - [ -0.0004639900000000, -0.0008879200000000, -0.0001815600000000 ] - [ -0.0003479000000000, -0.0003400300000000, 0.0000187400000000 ] - [ -0.0000923900000000, 0.0000689300000000, -0.0000650500000000 ] - [ -0.0003893700000000, -0.0000308500000000, 0.0000803500000000 ] - [ -0.0004351800000000, 0.0000501700000000, -0.0001219000000000 ] - [ -0.0001816300000000, -0.0002012700000000, -0.0000049300000000 ] - [ -0.0002114900000000, -0.0002618000000000, 0.0000684800000000 ] - [ -0.0002063100000000, 0.0002656300000000, 0.0000229700000000 ] - [ 0.0001241400000000, -0.0008281600000000, 0.0000164700000000 ] - [ 0.0001748000000000, -0.0002924200000000, -0.0000257400000000 ] - [ 0.0001688200000000, -0.0002921400000000, 0.0000395800000000 ] - [ 0.0005238100000000, -0.0005286300000000, 0.0000684900000000 ] - [ 0.0005193000000000, -0.0005223700000000, -0.0000817800000000 ] - [ 0.0000138000000000, -0.0005486400000000, -0.0000183300000000 ] - [ 0.0003253500000000, -0.0001002300000000, -0.0000654600000000 ] - [ 0.0003385300000000, -0.0000444300000000, 0.0000462600000000 ] - [ 0.0006319400000000, -0.0000209200000000, 0.0000580400000000 ] - [ -0.0000888800000000, 0.0000341300000000, 0.0001013300000000 ] - [ -0.0000904600000000, 0.0001968900000000, -0.0001307200000000 ] - [ -0.0000552400000000, -0.0005969600000000, -0.0006295400000000 ] - [ 0.0000295700000000, -0.0007279200000000, 0.0006391800000000 ] - [ 0.0010519800000000, -0.0009119200000000, -0.0001724000000000 ] - [ 0.0003598100000000, -0.0006045400000000, 0.0008821900000000 ] - [ 0.0008785000000000, 0.0005014100000000, -0.0007572000000000 ] - [ -0.0002585300000000, 0.0020339000000000, 0.0016889600000000 ] - [ -0.0013706200000000, 0.0105808400000000, 0.0020631300000000 ] - [ 0.0006619300000000, 0.0005603800000000, 0.0043846200000000 ] - [ -0.0005564000000000, -0.0012946500000000, -0.0070080400000000 ] - [ -0.0000461100000000, -0.0018668500000000, 0.0030974100000000 ] - [ 0.0084995100000000, -0.0174908100000000, 0.0069867300000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0024098200000000, 0.0009062300000000, -0.0056702200000000 ] - [ -0.0007714000000000, -0.0029543100000000, 0.0039068000000000 ] - [ 0.0000725200000000, -0.0003003200000000, -0.0003903300000000 ] - [ 0.0000961400000000, -0.0007484300000000, 0.0002804800000000 ] - [ -0.0000762300000000, -0.0002684700000000, 0.0000299800000000 ] - [ -0.0000356100000000, -0.0002872400000000, -0.0000402000000000 ] - [ -0.0001983700000000, 0.0008095800000000, 0.0009222100000000 ] - [ 0.0009443300000000, -0.0027345200000000, -0.0006375900000000 ] - [ 0.0095758800000000, 0.0093941000000000, -0.0230319100000000 ] - [ 0.0002996300000000, 0.0022189400000000, -0.0220669500000000 ] - [ -0.0028400200000000, 0.0059884700000000, 0.0080142200000000 ] - [ 0.0029704300000000, -0.0013346800000000, 0.0099859700000000 ] - [ -0.0573015100000000, 0.0290272800000000, -0.0930756600000000 ] - [ -0.0001221200000000, 0.0012797300000000, 0.0127970700000000 ] - [ -0.0002640500000000, 0.0003460400000000, 0.0010561300000000 ] - [ 0.0007906200000000, -0.0031252400000000, -0.0056547100000000 ] - [ -0.0011765200000000, -0.0009571600000000, -0.0000900600000000 ] - [ -0.0008567100000000, 0.0003868500000000, 0.0008404600000000 ] - [ -0.0004787000000000, -0.0004487800000000, -0.0001451000000000 ] - [ -0.0004640600000000, -0.0001619700000000, 0.0000964500000000 ] - [ -0.0000427700000000, -0.0004138600000000, -0.0000387100000000 ] - [ -0.0000326700000000, -0.0003695300000000, 0.0007304500000000 ] - [ -0.0000194700000000, -0.0003364000000000, -0.0006904600000000 ] - [ 0.0000392300000000, -0.0003536600000000, 0.0000318900000000 ] - [ 0.0005261400000000, -0.0004874300000000, 0.0001602100000000 ] - [ 0.0005315300000000, -0.0004698700000000, -0.0001708100000000 ] - [ 0.0006782700000000, -0.0003885200000000, -0.0002272600000000 ] - [ 0.0006388900000000, -0.0005051000000000, 0.0003109500000000 ] - [ 0.0005262900000000, 0.0000093100000000, -0.0008169300000000 ] - [ 0.0006704100000000, -0.0005102400000000, 0.0003865600000000 ] - [ 0.0043191100000000, 0.0042310500000000, -0.0024383600000000 ] - [ 0.0005518500000000, -0.0001763800000000, 0.0042972900000000 ] - [ 0.0006603900000000, 0.0003971100000000, -0.0037189700000000 ] - [ 0.0517014300000000, -0.0609975600000000, 0.1853785100000000 ] - [ 0.0000509900000000, -0.0026693500000000, -0.0242792500000000 ] - [ 0.0016003900000000, -0.0020043600000000, -0.0044339200000000 ] - [ -0.0006557100000000, -0.0013224300000000, -0.0057874900000000 ] - [ -0.0004833100000000, 0.0007169600000000, -0.0227247900000000 ] - [ -0.0004369100000000, -0.0000420000000000, -0.0029172200000000 ] - [ -0.0040911600000000, 0.0127009900000000, -0.0001889700000000 ] - [ -0.0004131300000000, -0.0014433300000000, 0.0016488800000000 ] - [ -0.0002453800000000, -0.0003636100000000, -0.0022451100000000 ] - [ -0.0009492100000000, 0.0009985000000000, 0.0019341000000000 ] - [ 0.0001784600000000, 0.0012248800000000, 0.0005656700000000 ] - [ -0.0000526300000000, -0.0004315700000000, -0.0002786400000000 ] - [ -0.0005724100000000, 0.0002330700000000, -0.0005848300000000 ] - [ -0.0002283800000000, 0.0003193900000000, 0.0002344900000000 ] - [ -0.0003435600000000, -0.0002227000000000, -0.0000744300000000 ] - [ 0.0000020000000000, 0.0005205200000000, 0.0000671200000000 ] - [ -0.0005432900000000, 0.0005600100000000, 0.0001320100000000 ] - [ -0.0004918700000000, 0.0004792100000000, -0.0000901400000000 ] - [ -0.0001899300000000, 0.0002647200000000, -0.0000263000000000 ] - [ -0.0001576800000000, 0.0003250600000000, -0.0000398400000000 ] - [ -0.0001171100000000, 0.0008534500000000, -0.0000236400000000 ] - [ 0.0001994900000000, -0.0002831800000000, -0.0000176000000000 ] - [ 0.0002027200000000, 0.0002426000000000, 0.0000687100000000 ] - [ 0.0002052100000000, 0.0002369200000000, -0.0000757300000000 ] - [ 0.0003928300000000, 0.0000127900000000, 0.0001432700000000 ] - [ 0.0004054300000000, 0.0000022000000000, -0.0001308200000000 ] - [ 0.0000841500000000, -0.0000299500000000, 0.0000100100000000 ] - [ 0.0003667500000000, 0.0006679200000000, 0.0000133500000000 ] - [ 0.0003559800000000, 0.0006150100000000, 0.0000045700000000 ] - [ 0.0006816000000000, 0.0002275100000000, -0.0000485400000000 ] - [ 0.0000620600000000, 0.0006896900000000, -0.0001530100000000 ] - [ 0.0000491600000000, 0.0005179600000000, 0.0001766500000000 ] - [ 0.0000323300000000, -0.0001186000000000, 0.0005809300000000 ] - [ -0.0000696100000000, 0.0000221500000000, -0.0005969900000000 ] - [ 0.0002609700000000, 0.0007134000000000, 0.0001851200000000 ] - [ 0.0003348500000000, 0.0000318300000000, -0.0008369500000000 ] - [ -0.0001917700000000, -0.0010535400000000, 0.0007012100000000 ] - [ 0.0003486600000000, -0.0014603200000000, -0.0016754100000000 ] - [ 0.0023349600000000, -0.0101068300000000, -0.0022215400000000 ] - [ 0.0002690800000000, -0.0000643100000000, -0.0041763800000000 ] - [ 0.0009816400000000, 0.0014051900000000, 0.0069823000000000 ] - [ 0.0004223600000000, 0.0019258500000000, -0.0030982600000000 ] - [ -0.0080920300000000, 0.0184432600000000, -0.0070440100000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002282700000000, 0.0014432800000000, -0.0003131000000000 ] - [ 0.0011467800000000, 0.0009896700000000, 0.0010316200000000 ] - [ 0.0000861900000000, -0.0007166200000000, -0.0003343800000000 ] - [ 0.0001134300000000, -0.0008274200000000, 0.0002383400000000 ] - [ -0.0000829100000000, -0.0005021300000000, -0.0000490000000000 ] - [ -0.0000344300000000, -0.0003300700000000, 0.0000691300000000 ] - [ 0.0004885000000000, -0.0011324300000000, -0.0011895800000000 ] - [ 0.0001617900000000, -0.0001046800000000, 0.0005079600000000 ] - [ -0.0001639300000000, 0.0003888800000000, -0.0004104700000000 ] - [ 0.0092822700000000, 0.0082936200000000, -0.0018961000000000 ] - [ 0.0110680700000000, 0.0120997900000000, 0.0058516800000000 ] - [ 0.0000577100000000, 0.0009116900000000, 0.0004490800000000 ] - [ 0.0954525500000000, 0.0296567000000000, 0.0089913200000000 ] - [ 0.0007685100000000, 0.0008605000000000, 0.0010385300000000 ] - [ -0.0004789500000000, 0.0000164400000000, -0.0008116500000000 ] - [ 0.0014679900000000, -0.0029986700000000, -0.0026447500000000 ] - [ -0.0012931000000000, -0.0008968500000000, 0.0001171800000000 ] - [ -0.0008010400000000, 0.0001630500000000, 0.0004145500000000 ] - [ -0.0004696200000000, -0.0005873300000000, -0.0001043400000000 ] - [ -0.0004589300000000, -0.0003591200000000, 0.0000637200000000 ] - [ -0.0000631700000000, -0.0005981400000000, -0.0000230200000000 ] - [ -0.0000428300000000, -0.0005143800000000, 0.0007473700000000 ] - [ -0.0000287100000000, -0.0004788100000000, -0.0007249800000000 ] - [ 0.0000581400000000, -0.0004926200000000, 0.0000179200000000 ] - [ 0.0005416700000000, -0.0006167800000000, 0.0001632000000000 ] - [ 0.0005415800000000, -0.0006791700000000, -0.0001603900000000 ] - [ 0.0005766900000000, -0.0007841600000000, -0.0001741200000000 ] - [ 0.0006451500000000, -0.0005465400000000, 0.0000322100000000 ] - [ 0.0008733400000000, -0.0009360700000000, 0.0008098000000000 ] - [ 0.0006369700000000, -0.0002221600000000, -0.0000955500000000 ] - [ -0.0065063900000000, 0.0024280700000000, 0.0004683400000000 ] - [ -0.0001414200000000, 0.0003620600000000, -0.0003849900000000 ] - [ -0.0002058700000000, -0.0020023800000000, 0.0001127100000000 ] - [ 0.0254473100000000, -0.0025523300000000, -0.0019610000000000 ] - [ -0.0004168700000000, -0.0008407800000000, -0.0001791300000000 ] - [ -0.1833714300000000, -0.0608124700000000, -0.0144024500000000 ] - [ -0.0014594900000000, -0.0018924800000000, 0.0011121700000000 ] - [ 0.0272603000000000, -0.0046032900000000, 0.0004143700000000 ] - [ -0.0003916600000000, -0.0007666100000000, -0.0001299400000000 ] - [ 0.0051519700000000, 0.0104458900000000, 0.0013427900000000 ] - [ -0.0007192500000000, 0.0001726200000000, 0.0015189600000000 ] - [ -0.0002458300000000, 0.0000507100000000, 0.0006859400000000 ] - [ -0.0002313600000000, 0.0006851800000000, 0.0000441700000000 ] - [ 0.0001710100000000, 0.0012835400000000, 0.0001627800000000 ] - [ 0.0000438000000000, -0.0003057600000000, 0.0000366200000000 ] - [ -0.0005515700000000, 0.0000178900000000, -0.0004221900000000 ] - [ -0.0002506700000000, 0.0003871000000000, 0.0001670800000000 ] - [ -0.0003496900000000, -0.0000118700000000, -0.0000417000000000 ] - [ -0.0000021900000000, 0.0006484200000000, 0.0000445100000000 ] - [ -0.0005564900000000, 0.0006778400000000, 0.0000966800000000 ] - [ -0.0005190200000000, 0.0006082700000000, -0.0000680100000000 ] - [ -0.0001822600000000, 0.0003765600000000, 0.0000145100000000 ] - [ -0.0001583100000000, 0.0004248500000000, -0.0000593200000000 ] - [ -0.0000979700000000, 0.0009435600000000, -0.0000130400000000 ] - [ 0.0002126400000000, -0.0001587900000000, -0.0000039900000000 ] - [ 0.0002163100000000, 0.0003598700000000, 0.0000846500000000 ] - [ 0.0002118700000000, 0.0003400500000000, -0.0000721400000000 ] - [ 0.0003584500000000, 0.0001313800000000, 0.0001273600000000 ] - [ 0.0003820000000000, 0.0001025600000000, -0.0001326400000000 ] - [ 0.0001095600000000, 0.0000668900000000, -0.0000115500000000 ] - [ 0.0003731400000000, 0.0007472300000000, 0.0000555600000000 ] - [ 0.0003933500000000, 0.0008525800000000, -0.0000880300000000 ] - [ 0.0007091600000000, 0.0004461900000000, 0.0001066700000000 ] - [ 0.0000232800000000, 0.0006482000000000, -0.0000468300000000 ] - [ 0.0000411500000000, 0.0009653200000000, 0.0000083800000000 ] - [ -0.0000877600000000, 0.0002169700000000, -0.0001519600000000 ] - [ -0.0000031700000000, -0.0000343300000000, 0.0002091400000000 ] - [ 0.0006668500000000, 0.0000472000000000, -0.0003222100000000 ] - [ 0.0003970900000000, -0.0004999300000000, 0.0001776700000000 ] - [ 0.0014709200000000, 0.0014069000000000, -0.0003737100000000 ] - [ 0.0001315700000000, -0.0030970400000000, -0.0011391900000000 ] - [ 0.0122173300000000, 0.0166577300000000, -0.0008728000000000 ] - [ 0.0004193200000000, -0.0006878400000000, 0.0008337100000000 ] - [ -0.0002450800000000, -0.0039445300000000, 0.0018360000000000 ] - [ 0.0002544600000000, -0.0002906100000000, 0.0002053700000000 ] - [ 0.0002094700000000, -0.0005000500000000, -0.0006015300000000 ]- atom: 36 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003614300000000, -0.0011332000000000, 0.0003052800000000 ] - [ -0.0010531900000000, -0.0006030800000000, -0.0010283400000000 ] - [ 0.0000140100000000, 0.0003358100000000, 0.0003352700000000 ] - [ 0.0000398100000000, 0.0005240900000000, -0.0002362500000000 ] - [ -0.0000712500000000, 0.0007905300000000, 0.0000494500000000 ] - [ -0.0000672800000000, 0.0006955800000000, -0.0000698400000000 ] - [ -0.0005941100000000, 0.0007529100000000, 0.0011864200000000 ] - [ -0.0003213800000000, -0.0001963100000000, -0.0005048100000000 ] - [ 0.0002075800000000, -0.0003359000000000, 0.0003891300000000 ] - [ -0.0093569200000000, -0.0085264800000000, 0.0007616400000000 ] - [ -0.0111406000000000, -0.0123779100000000, -0.0062451900000000 ] - [ -0.0000907100000000, -0.0009202700000000, 0.0010150300000000 ] - [ -0.0900609100000000, -0.0275011200000000, -0.0080946100000000 ] - [ -0.0017222100000000, -0.0010057900000000, -0.0012188100000000 ] - [ -0.0008495900000000, -0.0001644200000000, 0.0004783300000000 ] - [ -0.0027824800000000, 0.0028317900000000, 0.0029544600000000 ] - [ -0.0000472200000000, 0.0010320400000000, -0.0004471600000000 ] - [ -0.0005365400000000, -0.0000203600000000, -0.0000840700000000 ] - [ -0.0005328500000000, 0.0007377800000000, -0.0001441400000000 ] - [ -0.0005459900000000, 0.0005132300000000, 0.0001865000000000 ] - [ 0.0000615000000000, 0.0005907900000000, 0.0000222300000000 ] - [ 0.0000393300000000, 0.0005090300000000, 0.0007166200000000 ] - [ 0.0000308500000000, 0.0004731000000000, -0.0007362800000000 ] - [ -0.0000590000000000, 0.0004865700000000, -0.0000171300000000 ] - [ 0.0004614300000000, 0.0004526800000000, 0.0000862200000000 ] - [ 0.0004624600000000, 0.0005157600000000, -0.0000869100000000 ] - [ 0.0007589200000000, 0.0006329900000000, -0.0001554500000000 ] - [ 0.0006871600000000, 0.0003946400000000, 0.0002985800000000 ] - [ 0.0004609000000000, 0.0010715600000000, -0.0004774800000000 ] - [ 0.0006986800000000, 0.0003606400000000, -0.0002335600000000 ] - [ 0.0075251200000000, -0.0022494700000000, -0.0002235800000000 ] - [ 0.0011585800000000, -0.0001978800000000, 0.0001198100000000 ] - [ -0.0001289800000000, 0.0008865800000000, -0.0001594500000000 ] - [ -0.0257784800000000, 0.0024735700000000, 0.0022195500000000 ] - [ 0.0000540100000000, 0.0007745100000000, 0.0001965300000000 ] - [ 0.1761944500000000, 0.0584081600000000, 0.0135920900000000 ] - [ 0.0004964500000000, 0.0013387700000000, -0.0008201900000000 ] - [ -0.0273290200000000, 0.0040319200000000, -0.0007463100000000 ] - [ -0.0003060300000000, 0.0013218200000000, 0.0001747200000000 ] - [ -0.0057766000000000, -0.0097073500000000, -0.0013828200000000 ] - [ -0.0005967400000000, 0.0000258500000000, -0.0015082200000000 ] - [ 0.0002652200000000, 0.0006630900000000, -0.0006318000000000 ] - [ 0.0002581600000000, 0.0000227200000000, -0.0000915800000000 ] - [ -0.0001368100000000, -0.0019688300000000, -0.0001139000000000 ] - [ -0.0000015400000000, -0.0003933400000000, -0.0000820300000000 ] - [ -0.0007653400000000, -0.0002169300000000, 0.0004121800000000 ] - [ -0.0004427600000000, -0.0009347400000000, -0.0001156900000000 ] - [ -0.0003484100000000, -0.0005422400000000, -0.0000036100000000 ] - [ -0.0000909600000000, -0.0000600400000000, -0.0000412700000000 ] - [ -0.0003706300000000, -0.0001542700000000, 0.0001198700000000 ] - [ -0.0004037600000000, -0.0000850600000000, -0.0001457400000000 ] - [ -0.0001909200000000, -0.0003206200000000, -0.0000518900000000 ] - [ -0.0002135800000000, -0.0003683900000000, 0.0000938600000000 ] - [ -0.0002192400000000, 0.0001652800000000, 0.0000100200000000 ] - [ 0.0001065200000000, -0.0009372400000000, 0.0000019400000000 ] - [ 0.0001570200000000, -0.0004027100000000, -0.0000467800000000 ] - [ 0.0001640100000000, -0.0003842700000000, 0.0000300200000000 ] - [ 0.0005594700000000, -0.0006436800000000, 0.0000882800000000 ] - [ 0.0005303400000000, -0.0006153800000000, -0.0000804700000000 ] - [ -0.0000083100000000, -0.0006422600000000, 0.0000144200000000 ] - [ 0.0003182100000000, -0.0002046200000000, -0.0001093800000000 ] - [ 0.0003034000000000, -0.0002909900000000, 0.0001334400000000 ] - [ 0.0006062900000000, -0.0002446400000000, -0.0000890800000000 ] - [ -0.0000456100000000, 0.0000704600000000, -0.0000057900000000 ] - [ -0.0000865600000000, -0.0002569300000000, 0.0000381500000000 ] - [ 0.0000638100000000, -0.0009282900000000, 0.0001005900000000 ] - [ -0.0000392300000000, -0.0006589600000000, -0.0001652500000000 ] - [ 0.0006475800000000, -0.0002416200000000, 0.0003321500000000 ] - [ 0.0002958700000000, -0.0000451900000000, -0.0001261700000000 ] - [ -0.0007864600000000, -0.0019506500000000, 0.0003142900000000 ] - [ -0.0001070500000000, 0.0037126400000000, 0.0011549900000000 ] - [ -0.0112690700000000, -0.0163168700000000, 0.0006506300000000 ] - [ 0.0005109600000000, 0.0011978000000000, -0.0006112400000000 ] - [ 0.0005407400000000, 0.0040237800000000, -0.0018840900000000 ] - [ 0.0001096700000000, 0.0003432800000000, -0.0001735200000000 ] - [ 0.0001243500000000, 0.0015865000000000, 0.0006072000000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006151700000000, 0.0041980700000000, -0.0041233900000000 ] - [ 0.0005603700000000, 0.0031277000000000, 0.0052936200000000 ] - [ 0.0001012200000000, -0.0023184900000000, -0.0004800900000000 ] - [ 0.0000368200000000, -0.0030207200000000, 0.0003425600000000 ] - [ -0.0000970200000000, -0.0026760400000000, -0.0000671100000000 ] - [ 0.0000181100000000, -0.0021449800000000, 0.0000938200000000 ] - [ -0.0003302900000000, -0.0032191000000000, -0.0016619900000000 ] - [ -0.0007803700000000, -0.0016337200000000, 0.0016701000000000 ] - [ 0.0023584200000000, 0.0085580500000000, 0.0029321400000000 ] - [ 0.0023772100000000, 0.0259872600000000, -0.0075175700000000 ] - [ 0.0055438100000000, 0.0324043900000000, 0.0130186100000000 ] - [ -0.0000984700000000, 0.0057992000000000, 0.0012543600000000 ] - [ 0.0229674000000000, 0.0253212600000000, 0.0021516900000000 ] - [ 0.0001348400000000, 0.0061901400000000, 0.0027440500000000 ] - [ -0.0013488300000000, -0.0001154400000000, -0.0006842500000000 ] - [ 0.0006208000000000, -0.0053639100000000, -0.0044364200000000 ] - [ -0.0010720200000000, -0.0034077000000000, -0.0001505800000000 ] - [ -0.0005808400000000, -0.0018693600000000, 0.0011190400000000 ] - [ -0.0003331800000000, -0.0025943400000000, 0.0000017800000000 ] - [ -0.0003143400000000, -0.0022314400000000, -0.0000613400000000 ] - [ -0.0002926200000000, -0.0026006200000000, -0.0000350500000000 ] - [ -0.0001742400000000, -0.0021972500000000, 0.0007357600000000 ] - [ -0.0001552000000000, -0.0021424500000000, -0.0007018900000000 ] - [ 0.0002601900000000, -0.0021718100000000, 0.0000288000000000 ] - [ 0.0006784300000000, -0.0025212400000000, 0.0003035500000000 ] - [ 0.0006794800000000, -0.0026074000000000, -0.0002996700000000 ] - [ 0.0003880300000000, -0.0027613100000000, -0.0000868700000000 ] - [ 0.0004982200000000, -0.0024334000000000, -0.0001051000000000 ] - [ 0.0012358500000000, -0.0031926700000000, 0.0012814100000000 ] - [ 0.0007915400000000, -0.0019487600000000, -0.0001739500000000 ] - [ -0.0010136400000000, -0.0025558900000000, 0.0001046900000000 ] - [ 0.0026384800000000, 0.0012336300000000, -0.0051767200000000 ] - [ 0.0002673900000000, -0.0076709400000000, -0.0003890500000000 ] - [ 0.0041151800000000, -0.0107146600000000, 0.0016772800000000 ] - [ 0.0000999000000000, -0.0040619100000000, -0.0010384100000000 ] - [ -0.0595769600000000, -0.0947172200000000, -0.0060506000000000 ] - [ -0.0020778300000000, -0.0083043900000000, -0.0008218900000000 ] - [ 0.0047790800000000, -0.0100093000000000, -0.0018071000000000 ] - [ -0.0008332200000000, -0.0032394500000000, -0.0015939000000000 ] - [ 0.0079778600000000, 0.0101152600000000, 0.0024527100000000 ] - [ -0.0003000800000000, -0.0000164600000000, 0.0021888600000000 ] - [ 0.0004594900000000, 0.0016080300000000, -0.0019148300000000 ] - [ -0.0003030300000000, 0.0033008800000000, 0.0012760000000000 ] - [ 0.0002438400000000, 0.0026256600000000, 0.0002677100000000 ] - [ 0.0001067500000000, 0.0005016100000000, -0.0000109600000000 ] - [ -0.0004342700000000, 0.0016339400000000, -0.0006736300000000 ] - [ -0.0001182300000000, 0.0023940300000000, 0.0005906600000000 ] - [ -0.0002490100000000, 0.0017021700000000, -0.0003816800000000 ] - [ 0.0002229400000000, 0.0018481900000000, 0.0000826000000000 ] - [ -0.0008795900000000, 0.0019633200000000, 0.0000375500000000 ] - [ -0.0008073700000000, 0.0018495100000000, 0.0000064200000000 ] - [ -0.0000889200000000, 0.0016289100000000, 0.0001997000000000 ] - [ -0.0000448500000000, 0.0017117700000000, -0.0002819000000000 ] - [ 0.0000779200000000, 0.0022901300000000, -0.0000179700000000 ] - [ 0.0004005100000000, 0.0011662300000000, -0.0000068100000000 ] - [ 0.0003030800000000, 0.0016312400000000, 0.0002948400000000 ] - [ 0.0002961100000000, 0.0016042000000000, -0.0002773700000000 ] - [ 0.0000627200000000, 0.0014186700000000, 0.0002164200000000 ] - [ 0.0000999600000000, 0.0013776300000000, -0.0002217500000000 ] - [ 0.0003008900000000, 0.0012826300000000, -0.0000158000000000 ] - [ 0.0004898200000000, 0.0025016300000000, 0.0003502800000000 ] - [ 0.0005167200000000, 0.0026361800000000, -0.0003916500000000 ] - [ 0.0008419300000000, 0.0015335600000000, 0.0001289500000000 ] - [ 0.0002291300000000, 0.0021279700000000, -0.0001748800000000 ] - [ 0.0002621900000000, 0.0025557700000000, 0.0001057100000000 ] - [ -0.0003932400000000, 0.0016769700000000, -0.0001437900000000 ] - [ -0.0002716300000000, 0.0013900500000000, 0.0000475800000000 ] - [ 0.0006147600000000, 0.0010349100000000, -0.0004790400000000 ] - [ -0.0002777100000000, 0.0013341400000000, 0.0016104600000000 ] - [ 0.0009537800000000, 0.0040801500000000, -0.0007264300000000 ] - [ -0.0046908300000000, 0.0071297100000000, 0.0088556500000000 ] - [ 0.0168091900000000, 0.0140710800000000, -0.0004346700000000 ] - [ -0.0004779200000000, -0.0029565400000000, 0.0021074700000000 ] - [ -0.0055486900000000, 0.0066205100000000, -0.0102933000000000 ] - [ 0.0007059600000000, -0.0027598200000000, 0.0003257300000000 ] - [ 0.0002229400000000, -0.0029876000000000, -0.0019891200000000 ]- atom: 36 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004534700000000, -0.0038507600000000, 0.0041026200000000 ] - [ -0.0005157500000000, -0.0025206000000000, -0.0053829400000000 ] - [ -0.0000041600000000, 0.0019458700000000, 0.0004789000000000 ] - [ 0.0001180400000000, 0.0027245700000000, -0.0003372200000000 ] - [ -0.0000582800000000, 0.0029583300000000, 0.0000698300000000 ] - [ -0.0001167700000000, 0.0025085400000000, -0.0000970200000000 ] - [ 0.0002335700000000, 0.0028547000000000, 0.0016689300000000 ] - [ 0.0006297200000000, 0.0013309500000000, -0.0016772700000000 ] - [ -0.0023572200000000, -0.0086249500000000, -0.0029146500000000 ] - [ -0.0028317300000000, -0.0264708300000000, 0.0068516600000000 ] - [ -0.0061402000000000, -0.0329607500000000, -0.0140444900000000 ] - [ 0.0000783200000000, -0.0058553900000000, 0.0002213400000000 ] - [ -0.0237942800000000, -0.0256027300000000, -0.0018809900000000 ] - [ -0.0011371500000000, -0.0062802500000000, -0.0030055300000000 ] - [ 0.0000086600000000, -0.0000157300000000, 0.0003467000000000 ] - [ -0.0019598100000000, 0.0052042800000000, 0.0047502700000000 ] - [ -0.0002594100000000, 0.0035395200000000, -0.0001846200000000 ] - [ -0.0007525000000000, 0.0020098900000000, -0.0007770700000000 ] - [ -0.0006707600000000, 0.0027428100000000, -0.0002521500000000 ] - [ -0.0006898400000000, 0.0023793400000000, 0.0003109200000000 ] - [ 0.0002917800000000, 0.0025931400000000, 0.0000354200000000 ] - [ 0.0001694800000000, 0.0021909900000000, 0.0007296900000000 ] - [ 0.0001576100000000, 0.0021372100000000, -0.0007634900000000 ] - [ -0.0002589800000000, 0.0021652400000000, -0.0000280300000000 ] - [ 0.0003270600000000, 0.0023622400000000, -0.0000535700000000 ] - [ 0.0003260700000000, 0.0024452400000000, 0.0000498500000000 ] - [ 0.0009468800000000, 0.0026089800000000, -0.0002470800000000 ] - [ 0.0008346200000000, 0.0022813300000000, 0.0004385800000000 ] - [ 0.0000954400000000, 0.0033351800000000, -0.0009501700000000 ] - [ 0.0005448400000000, 0.0020840400000000, -0.0001604400000000 ] - [ 0.0020314300000000, 0.0026969300000000, 0.0001360200000000 ] - [ -0.0016424700000000, -0.0011015100000000, 0.0049546800000000 ] - [ -0.0005863400000000, 0.0065833900000000, 0.0003103500000000 ] - [ -0.0044868700000000, 0.0106665200000000, -0.0017849300000000 ] - [ -0.0004730500000000, 0.0040065700000000, 0.0010752200000000 ] - [ 0.0596119200000000, 0.0955666200000000, 0.0061139600000000 ] - [ 0.0011554900000000, 0.0077615500000000, 0.0011077500000000 ] - [ -0.0048902000000000, 0.0093811100000000, 0.0018742000000000 ] - [ 0.0001336600000000, 0.0037533900000000, 0.0016374300000000 ] - [ -0.0085551300000000, -0.0094382900000000, -0.0024766800000000 ] - [ -0.0010188600000000, 0.0002108400000000, -0.0021924900000000 ] - [ -0.0004272300000000, -0.0008946400000000, 0.0019429600000000 ] - [ 0.0003520300000000, -0.0025884600000000, -0.0013062400000000 ] - [ -0.0002257100000000, -0.0033349200000000, -0.0002143000000000 ] - [ -0.0000655700000000, -0.0012077400000000, -0.0000344300000000 ] - [ -0.0008855900000000, -0.0018305200000000, 0.0006548900000000 ] - [ -0.0005735400000000, -0.0029427900000000, -0.0005348900000000 ] - [ -0.0004473700000000, -0.0022732900000000, 0.0003324500000000 ] - [ -0.0003106200000000, -0.0012544600000000, -0.0000875700000000 ] - [ -0.0000433300000000, -0.0014321700000000, 0.0001791200000000 ] - [ -0.0001201600000000, -0.0013229000000000, -0.0002281200000000 ] - [ -0.0002815100000000, -0.0015793700000000, -0.0002280800000000 ] - [ -0.0003252700000000, -0.0016584100000000, 0.0003164000000000 ] - [ -0.0003948700000000, -0.0011921800000000, 0.0000243400000000 ] - [ -0.0000823200000000, -0.0022573000000000, 0.0000124300000000 ] - [ 0.0000798100000000, -0.0016707800000000, -0.0002391700000000 ] - [ 0.0000704700000000, -0.0016504000000000, 0.0002552400000000 ] - [ 0.0008343900000000, -0.0019363100000000, -0.0000011700000000 ] - [ 0.0008320800000000, -0.0019014300000000, -0.0000003100000000 ] - [ -0.0002045200000000, -0.0018672900000000, -0.0000150300000000 ] - [ 0.0002048100000000, -0.0019227000000000, -0.0003978800000000 ] - [ 0.0001828000000000, -0.0020831300000000, 0.0004340500000000 ] - [ 0.0004806400000000, -0.0013263900000000, -0.0001224200000000 ] - [ -0.0002624900000000, -0.0014178800000000, 0.0001277400000000 ] - [ -0.0003042300000000, -0.0018533700000000, -0.0000611300000000 ] - [ 0.0003710600000000, -0.0023895400000000, 0.0000957900000000 ] - [ 0.0002390800000000, -0.0020943500000000, -0.0000017000000000 ] - [ 0.0007046700000000, -0.0012344000000000, 0.0004883700000000 ] - [ 0.0009762800000000, -0.0018926100000000, -0.0015716000000000 ] - [ -0.0002694800000000, -0.0046434500000000, 0.0006748900000000 ] - [ 0.0048554900000000, -0.0066265900000000, -0.0089591400000000 ] - [ -0.0161743300000000, -0.0138370900000000, 0.0002330500000000 ] - [ 0.0014081400000000, 0.0035093000000000, -0.0018969000000000 ] - [ 0.0059980800000000, -0.0066476000000000, 0.0103871900000000 ] - [ -0.0003390600000000, 0.0028318500000000, -0.0002928700000000 ] - [ 0.0001060200000000, 0.0041157700000000, 0.0019805600000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015534300000000, -0.0051586400000000, -0.0044071100000000 ] - [ -0.0002487400000000, 0.0030751800000000, 0.0035450100000000 ] - [ 0.0000633300000000, -0.0002172800000000, -0.0002091200000000 ] - [ 0.0001039800000000, 0.0001150800000000, 0.0001497400000000 ] - [ -0.0000749600000000, 0.0003138900000000, 0.0000370300000000 ] - [ -0.0000616100000000, 0.0004024800000000, -0.0000516400000000 ] - [ -0.0004563400000000, -0.0012700800000000, 0.0006759200000000 ] - [ 0.0001986300000000, 0.0019138700000000, -0.0011053400000000 ] - [ -0.0029494400000000, 0.0033997600000000, -0.0084749100000000 ] - [ -0.0033452000000000, -0.0046765700000000, 0.0231745900000000 ] - [ 0.0066310300000000, 0.0098288900000000, 0.0302304100000000 ] - [ 0.0002482300000000, -0.0014751800000000, -0.0115074300000000 ] - [ 0.0062215200000000, 0.0012560900000000, 0.0241634700000000 ] - [ 0.0042861200000000, 0.0020704200000000, -0.0085311600000000 ] - [ -0.0008734900000000, 0.0008914800000000, -0.0023829500000000 ] - [ -0.0007901900000000, -0.0015863100000000, 0.0002945800000000 ] - [ -0.0006967600000000, -0.0001495900000000, 0.0005154600000000 ] - [ -0.0006234900000000, 0.0007592600000000, -0.0000694000000000 ] - [ -0.0005205500000000, 0.0001437400000000, -0.0001234100000000 ] - [ -0.0005123000000000, 0.0003176600000000, 0.0000932900000000 ] - [ 0.0000162000000000, 0.0001604300000000, -0.0000253700000000 ] - [ 0.0000061100000000, 0.0001379800000000, 0.0007656000000000 ] - [ 0.0000153000000000, 0.0001549100000000, -0.0007402600000000 ] - [ -0.0000118200000000, 0.0001527000000000, 0.0000213800000000 ] - [ 0.0004897700000000, 0.0000749800000000, 0.0000971200000000 ] - [ 0.0004939400000000, 0.0001011100000000, -0.0001086200000000 ] - [ 0.0006823900000000, 0.0001573600000000, -0.0000600400000000 ] - [ 0.0006080300000000, 0.0000202000000000, 0.0001531600000000 ] - [ 0.0006123700000000, 0.0005104100000000, 0.0003842300000000 ] - [ 0.0008961800000000, -0.0001162300000000, -0.0009636800000000 ] - [ -0.0006397200000000, 0.0012303500000000, 0.0083451700000000 ] - [ 0.0007265000000000, -0.0013073900000000, -0.0044728500000000 ] - [ -0.0001981700000000, -0.0026174400000000, 0.0214562800000000 ] - [ -0.0024430700000000, -0.0010814300000000, 0.0043181100000000 ] - [ -0.0002177900000000, 0.0012151700000000, 0.0059015100000000 ] - [ -0.0133365400000000, -0.0048903100000000, -0.1104921800000000 ] - [ -0.0014342000000000, 0.0007149000000000, 0.0245804600000000 ] - [ 0.0013924700000000, -0.0012302900000000, 0.0035867500000000 ] - [ -0.0006034800000000, -0.0017949700000000, 0.0018834000000000 ] - [ 0.0014207700000000, 0.0024783700000000, -0.0053251900000000 ] - [ -0.0009781700000000, 0.0011156200000000, 0.0009468300000000 ] - [ 0.0000013300000000, -0.0000447100000000, 0.0017724500000000 ] - [ -0.0001949400000000, 0.0009427800000000, -0.0014050900000000 ] - [ 0.0000887300000000, -0.0000666600000000, -0.0001122300000000 ] - [ 0.0000282300000000, -0.0008315900000000, 0.0002500800000000 ] - [ -0.0006741000000000, -0.0006389200000000, -0.0003453100000000 ] - [ -0.0003391600000000, -0.0002197000000000, -0.0000058300000000 ] - [ -0.0003921400000000, -0.0005807800000000, 0.0001007600000000 ] - [ -0.0000699000000000, 0.0002026100000000, 0.0000439800000000 ] - [ -0.0004586400000000, 0.0001904700000000, 0.0001140300000000 ] - [ -0.0004232000000000, 0.0001421600000000, -0.0000898500000000 ] - [ -0.0001979600000000, -0.0001089800000000, -0.0000310700000000 ] - [ -0.0001771100000000, -0.0000707000000000, -0.0000121000000000 ] - [ -0.0001837900000000, 0.0004076100000000, -0.0000141800000000 ] - [ 0.0001548500000000, -0.0006644200000000, -0.0000123500000000 ] - [ 0.0001757900000000, -0.0001324900000000, -0.0000125700000000 ] - [ 0.0001740200000000, -0.0001347100000000, 0.0000108600000000 ] - [ 0.0004782400000000, -0.0003681500000000, 0.0001004300000000 ] - [ 0.0004910600000000, -0.0003713900000000, -0.0000908800000000 ] - [ 0.0000335300000000, -0.0003918100000000, 0.0000035700000000 ] - [ 0.0003476000000000, 0.0001514200000000, -0.0000317200000000 ] - [ 0.0003315200000000, 0.0000847900000000, 0.0000511200000000 ] - [ 0.0006435600000000, 0.0000573700000000, -0.0000530600000000 ] - [ -0.0000304500000000, 0.0004066600000000, 0.0000722500000000 ] - [ -0.0000582400000000, 0.0001691000000000, -0.0000339600000000 ] - [ -0.0000099700000000, -0.0005624600000000, -0.0003933200000000 ] - [ -0.0001186900000000, -0.0004711500000000, 0.0005029900000000 ] - [ 0.0007660900000000, -0.0005989700000000, 0.0002846300000000 ] - [ 0.0003045600000000, 0.0009029800000000, 0.0010662500000000 ] - [ 0.0005347400000000, -0.0007136900000000, -0.0014189000000000 ] - [ -0.0048187900000000, 0.0091461700000000, 0.0013133800000000 ] - [ 0.0012571400000000, 0.0006089600000000, -0.0088407400000000 ] - [ 0.0011928900000000, 0.0022618600000000, 0.0017833900000000 ] - [ 0.0054768000000000, -0.0114147600000000, 0.0021178200000000 ] - [ 0.0004767100000000, -0.0007945100000000, 0.0042940400000000 ] - [ -0.0004605600000000, -0.0016349800000000, 0.0027522700000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013782200000000, 0.0054192100000000, 0.0044164300000000 ] - [ 0.0003428300000000, -0.0026552300000000, -0.0036069500000000 ] - [ 0.0000456100000000, -0.0001607300000000, 0.0002139600000000 ] - [ 0.0000466500000000, -0.0004161700000000, -0.0001512500000000 ] - [ -0.0000771200000000, -0.0000110400000000, -0.0000374000000000 ] - [ -0.0000484800000000, -0.0000214600000000, 0.0000500200000000 ] - [ 0.0003480100000000, 0.0008857900000000, -0.0006862900000000 ] - [ -0.0003498400000000, -0.0022096100000000, 0.0011101500000000 ] - [ 0.0029165000000000, -0.0033713600000000, 0.0084999600000000 ] - [ 0.0026130300000000, 0.0035139200000000, -0.0233704900000000 ] - [ -0.0075411600000000, -0.0112439000000000, -0.0316191500000000 ] - [ -0.0002096300000000, 0.0015370000000000, 0.0129719100000000 ] - [ -0.0077453100000000, -0.0015999500000000, -0.0240244100000000 ] - [ -0.0053554600000000, -0.0022402400000000, 0.0082613800000000 ] - [ -0.0004578100000000, -0.0010460100000000, 0.0020542700000000 ] - [ -0.0005713200000000, 0.0014734800000000, 0.0000805500000000 ] - [ -0.0006286800000000, 0.0002969300000000, -0.0008546900000000 ] - [ -0.0007112600000000, -0.0006229400000000, 0.0004027000000000 ] - [ -0.0004830300000000, 0.0000140600000000, -0.0001267300000000 ] - [ -0.0004930100000000, -0.0001630000000000, 0.0001565300000000 ] - [ -0.0000174100000000, -0.0001602500000000, 0.0000253700000000 ] - [ -0.0000101700000000, -0.0001377300000000, 0.0006930500000000 ] - [ -0.0000138700000000, -0.0001550800000000, -0.0007193900000000 ] - [ 0.0000125800000000, -0.0001532000000000, -0.0000218100000000 ] - [ 0.0005143200000000, -0.0002271900000000, 0.0001512700000000 ] - [ 0.0005104200000000, -0.0002564100000000, -0.0001416100000000 ] - [ 0.0006524700000000, -0.0002997400000000, -0.0002751900000000 ] - [ 0.0007246400000000, -0.0001591900000000, 0.0001799800000000 ] - [ 0.0007221800000000, -0.0003710300000000, -0.0000457800000000 ] - [ 0.0004387300000000, 0.0002598100000000, 0.0006295700000000 ] - [ 0.0016208300000000, -0.0010986000000000, -0.0080881200000000 ] - [ 0.0002766600000000, 0.0014707100000000, 0.0042037800000000 ] - [ -0.0001100700000000, 0.0015011000000000, -0.0212001900000000 ] - [ 0.0020255900000000, 0.0010335000000000, -0.0043552400000000 ] - [ -0.0001504000000000, -0.0012655800000000, -0.0058778100000000 ] - [ 0.0146505900000000, 0.0072649100000000, 0.1106216900000000 ] - [ 0.0005143500000000, -0.0012116700000000, -0.0247094000000000 ] - [ -0.0015642300000000, 0.0006779700000000, -0.0035422100000000 ] - [ -0.0000769700000000, 0.0023607700000000, -0.0018133900000000 ] - [ -0.0021721100000000, -0.0020375400000000, 0.0052344600000000 ] - [ -0.0003358800000000, -0.0009102400000000, -0.0009723900000000 ] - [ 0.0000186500000000, 0.0007482700000000, -0.0017205800000000 ] - [ 0.0002272600000000, -0.0002495200000000, 0.0013542700000000 ] - [ -0.0000675400000000, -0.0006465600000000, 0.0001567800000000 ] - [ 0.0000040100000000, 0.0001432200000000, -0.0002955500000000 ] - [ -0.0006387000000000, 0.0004434200000000, 0.0003451500000000 ] - [ -0.0003494000000000, -0.0003312300000000, 0.0000670300000000 ] - [ -0.0002955900000000, 0.0000295400000000, -0.0001654500000000 ] - [ -0.0000186000000000, 0.0003711300000000, -0.0000434800000000 ] - [ -0.0004708800000000, 0.0003288000000000, 0.0001085300000000 ] - [ -0.0005050600000000, 0.0003796300000000, -0.0001315100000000 ] - [ -0.0001645700000000, 0.0001594000000000, 0.0000033700000000 ] - [ -0.0001879700000000, 0.0001182600000000, 0.0000380100000000 ] - [ -0.0001475400000000, 0.0006997600000000, 0.0000155000000000 ] - [ 0.0001780200000000, -0.0004426000000000, 0.0000116000000000 ] - [ 0.0001964600000000, 0.0000869800000000, 0.0000509600000000 ] - [ 0.0001864600000000, 0.0000829900000000, -0.0000349800000000 ] - [ 0.0004374400000000, -0.0001494500000000, 0.0001219300000000 ] - [ 0.0004422600000000, -0.0001513700000000, -0.0001299000000000 ] - [ 0.0000597400000000, -0.0001815100000000, -0.0000152300000000 ] - [ 0.0003397000000000, 0.0003991500000000, -0.0000316800000000 ] - [ 0.0003568000000000, 0.0004564600000000, 0.0000112500000000 ] - [ 0.0006691300000000, 0.0001405600000000, 0.0000539500000000 ] - [ 0.0000039000000000, 0.0002880000000000, -0.0001187400000000 ] - [ 0.0000314800000000, 0.0005300500000000, 0.0000803500000000 ] - [ -0.0000178900000000, -0.0001356500000000, 0.0003448700000000 ] - [ 0.0000919800000000, -0.0002276600000000, -0.0004551500000000 ] - [ 0.0005469800000000, 0.0003975300000000, -0.0002882500000000 ] - [ 0.0003844500000000, -0.0014623800000000, -0.0010048100000000 ] - [ 0.0001592600000000, 0.0001646200000000, 0.0013540000000000 ] - [ 0.0049490800000000, -0.0086298700000000, -0.0012863300000000 ] - [ -0.0002659300000000, -0.0000470600000000, 0.0086296400000000 ] - [ -0.0002663800000000, -0.0017443400000000, -0.0015317300000000 ] - [ -0.0050586000000000, 0.0113762900000000, -0.0021630900000000 ] - [ -0.0000978300000000, 0.0008106700000000, -0.0042651000000000 ] - [ 0.0007948900000000, 0.0027404200000000, -0.0027828000000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005522000000000, -0.0004226700000000, 0.0000000000000000 ] - [ 0.0051019400000000, 0.0046433300000000, 0.0000000000000000 ] - [ -0.0000006600000000, 0.0002900200000000, 0.0000000000000000 ] - [ -0.0000210700000000, 0.0002407500000000, 0.0000000000000000 ] - [ -0.0000764400000000, 0.0005637300000000, 0.0000000000000000 ] - [ -0.0000631100000000, 0.0005386700000000, 0.0000000000000000 ] - [ -0.0005145000000000, 0.0004680200000000, 0.0000000000000000 ] - [ -0.0002639500000000, 0.0001230500000000, 0.0000000000000000 ] - [ -0.0000180100000000, -0.0015459100000000, 0.0000000000000000 ] - [ -0.0006636600000000, -0.0032247000000000, -0.0010044600000000 ] - [ 0.0019864600000000, -0.0051059000000000, 0.0000000000000000 ] - [ -0.0006636600000000, -0.0032247000000000, 0.0010044600000000 ] - [ 0.0260493000000000, -0.0118998800000000, -0.0279197000000000 ] - [ 0.0260493000000000, -0.0118998800000000, 0.0279197000000000 ] - [ -0.0024770500000000, 0.0015639200000000, -0.0006329900000000 ] - [ -0.0024770500000000, 0.0015639200000000, 0.0006329900000000 ] - [ -0.0000622800000000, 0.0001471100000000, -0.0006398200000000 ] - [ -0.0000622800000000, 0.0001471100000000, 0.0006398200000000 ] - [ -0.0005253400000000, 0.0004398600000000, -0.0001738500000000 ] - [ -0.0005253400000000, 0.0004398600000000, 0.0001738500000000 ] - [ 0.0000394600000000, 0.0004074700000000, 0.0000000000000000 ] - [ 0.0000214300000000, 0.0003253100000000, 0.0007163600000000 ] - [ 0.0000214300000000, 0.0003253100000000, -0.0007163600000000 ] - [ -0.0000451200000000, 0.0003108100000000, 0.0000000000000000 ] - [ 0.0004767000000000, 0.0002965800000000, 0.0001047000000000 ] - [ 0.0004767000000000, 0.0002965800000000, -0.0001047000000000 ] - [ 0.0006837000000000, 0.0003213700000000, -0.0001793200000000 ] - [ 0.0006837000000000, 0.0003213700000000, 0.0001793200000000 ] - [ 0.0006671500000000, 0.0005038200000000, 0.0000989900000000 ] - [ 0.0006671500000000, 0.0005038200000000, -0.0000989900000000 ] - [ 0.0032676500000000, -0.0005496300000000, 0.0014588200000000 ] - [ 0.0032676500000000, -0.0005496300000000, -0.0014588200000000 ] - [ -0.0003810300000000, 0.0002650200000000, 0.0000000000000000 ] - [ 0.0000956000000000, 0.0008507800000000, 0.0003956000000000 ] - [ 0.0000956000000000, 0.0008507800000000, -0.0003956000000000 ] - [ 0.0268747800000000, 0.0045556000000000, 0.0015166100000000 ] - [ 0.0268747800000000, 0.0045556000000000, -0.0015166100000000 ] - [ -0.1205943800000000, 0.0366644400000000, 0.0000000000000000 ] - [ 0.0005200500000000, -0.0065502300000000, 0.0047543000000000 ] - [ 0.0005200500000000, -0.0065502300000000, -0.0047543000000000 ] - [ -0.0003701400000000, -0.0003144700000000, 0.0000000000000000 ] - [ 0.0004794500000000, 0.0004376700000000, -0.0011717500000000 ] - [ 0.0004794500000000, 0.0004376700000000, 0.0011717500000000 ] - [ -0.0001568700000000, -0.0014516400000000, 0.0001767600000000 ] - [ -0.0001568700000000, -0.0014516400000000, -0.0001767600000000 ] - [ -0.0009125700000000, 0.0004024800000000, 0.0000000000000000 ] - [ -0.0003872700000000, -0.0005286000000000, 0.0000290400000000 ] - [ -0.0003872700000000, -0.0005286000000000, -0.0000290400000000 ] - [ -0.0000736700000000, 0.0000525900000000, 0.0000000000000000 ] - [ -0.0004031000000000, -0.0000037700000000, 0.0001351900000000 ] - [ -0.0004031000000000, -0.0000037700000000, -0.0001351900000000 ] - [ -0.0002037000000000, -0.0002115600000000, -0.0000769600000000 ] - [ -0.0002037000000000, -0.0002115600000000, 0.0000769600000000 ] - [ -0.0001901400000000, 0.0003273800000000, 0.0000000000000000 ] - [ 0.0001101400000000, -0.0008044200000000, 0.0000000000000000 ] - [ 0.0001813200000000, -0.0002729000000000, -0.0000046400000000 ] - [ 0.0001813200000000, -0.0002729000000000, 0.0000046400000000 ] - [ 0.0005077400000000, -0.0005144800000000, 0.0000948100000000 ] - [ 0.0005077400000000, -0.0005144800000000, -0.0000948100000000 ] - [ 0.0000200900000000, -0.0005374000000000, 0.0000000000000000 ] - [ 0.0003282800000000, -0.0000932000000000, -0.0000842000000000 ] - [ 0.0003282800000000, -0.0000932000000000, 0.0000842000000000 ] - [ 0.0006277100000000, -0.0001051400000000, 0.0000000000000000 ] - [ -0.0000486900000000, 0.0000731300000000, -0.0000020800000000 ] - [ -0.0000486900000000, 0.0000731300000000, 0.0000020800000000 ] - [ -0.0000075800000000, -0.0006965000000000, -0.0000212600000000 ] - [ -0.0000075800000000, -0.0006965000000000, 0.0000212600000000 ] - [ 0.0006631500000000, -0.0002735900000000, 0.0000000000000000 ] - [ -0.0000041600000000, -0.0005272000000000, 0.0001177200000000 ] - [ -0.0000041600000000, -0.0005272000000000, -0.0001177200000000 ] - [ 0.0025052500000000, 0.0044448900000000, 0.0000000000000000 ] - [ 0.0005494900000000, -0.0045190200000000, 0.0047894700000000 ] - [ 0.0005494900000000, -0.0045190200000000, -0.0047894700000000 ] - [ 0.0001164400000000, 0.0004980300000000, 0.0002637600000000 ] - [ 0.0001164400000000, 0.0004980300000000, -0.0002637600000000 ] - [ 0.0001596400000000, 0.0014271300000000, 0.0000000000000000 ]- atom: 38 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003779200000000, 0.0007198000000000, 0.0000000000000000 ] - [ -0.0048578600000000, -0.0040846700000000, 0.0000000000000000 ] - [ 0.0001012700000000, -0.0006651200000000, 0.0000000000000000 ] - [ 0.0001774100000000, -0.0005321000000000, 0.0000000000000000 ] - [ -0.0000832100000000, -0.0002673800000000, 0.0000000000000000 ] - [ -0.0000389100000000, -0.0001640900000000, 0.0000000000000000 ] - [ 0.0004125500000000, -0.0008409400000000, 0.0000000000000000 ] - [ 0.0001019600000000, -0.0004128400000000, 0.0000000000000000 ] - [ -0.0000162900000000, 0.0015145000000000, 0.0000000000000000 ] - [ 0.0007002800000000, 0.0032407600000000, -0.0004991500000000 ] - [ -0.0007932500000000, 0.0041336300000000, 0.0000000000000000 ] - [ 0.0007002800000000, 0.0032407600000000, 0.0004991500000000 ] - [ -0.0273308200000000, 0.0120656800000000, 0.0294008600000000 ] - [ -0.0273308200000000, 0.0120656800000000, -0.0294008600000000 ] - [ 0.0011368500000000, -0.0016937200000000, 0.0002949700000000 ] - [ 0.0011368500000000, -0.0016937200000000, -0.0002949700000000 ] - [ -0.0012692500000000, -0.0000015400000000, 0.0003042700000000 ] - [ -0.0012692500000000, -0.0000015400000000, -0.0003042700000000 ] - [ -0.0004751400000000, -0.0002791200000000, -0.0000803300000000 ] - [ -0.0004751400000000, -0.0002791200000000, 0.0000803300000000 ] - [ -0.0000401500000000, -0.0004064000000000, 0.0000000000000000 ] - [ -0.0000223300000000, -0.0003242300000000, 0.0007515600000000 ] - [ -0.0000223300000000, -0.0003242300000000, -0.0007515600000000 ] - [ 0.0000457600000000, -0.0003102200000000, 0.0000000000000000 ] - [ 0.0005234600000000, -0.0004512900000000, 0.0001484500000000 ] - [ 0.0005234600000000, -0.0004512900000000, -0.0001484500000000 ] - [ 0.0006512900000000, -0.0004629500000000, -0.0001539100000000 ] - [ 0.0006512900000000, -0.0004629500000000, 0.0001539100000000 ] - [ 0.0006649800000000, -0.0003563300000000, 0.0002281000000000 ] - [ 0.0006649800000000, -0.0003563300000000, -0.0002281000000000 ] - [ -0.0022768000000000, 0.0007021900000000, -0.0012035800000000 ] - [ -0.0022768000000000, 0.0007021900000000, 0.0012035800000000 ] - [ 0.0000448600000000, -0.0013749000000000, 0.0000000000000000 ] - [ -0.0004797600000000, -0.0008924500000000, -0.0005138600000000 ] - [ -0.0004797600000000, -0.0008924500000000, 0.0005138600000000 ] - [ -0.0277284700000000, -0.0051146900000000, -0.0014309800000000 ] - [ -0.0277284700000000, -0.0051146900000000, 0.0014309800000000 ] - [ 0.1195852600000000, -0.0370285000000000, 0.0000000000000000 ] - [ -0.0011735700000000, 0.0070770900000000, -0.0047038300000000 ] - [ -0.0011735700000000, 0.0070770900000000, 0.0047038300000000 ] - [ -0.0009536300000000, 0.0005222300000000, 0.0000000000000000 ] - [ -0.0004374300000000, 0.0002813100000000, 0.0012058800000000 ] - [ -0.0004374300000000, 0.0002813100000000, -0.0012058800000000 ] - [ 0.0001911800000000, 0.0007278800000000, -0.0001331100000000 ] - [ 0.0001911800000000, 0.0007278800000000, 0.0001331100000000 ] - [ -0.0004141900000000, -0.0006081300000000, 0.0000000000000000 ] - [ -0.0003194200000000, -0.0000279400000000, 0.0000083600000000 ] - [ -0.0003194200000000, -0.0000279400000000, -0.0000083600000000 ] - [ -0.0000256000000000, 0.0005532100000000, 0.0000000000000000 ] - [ -0.0005144600000000, 0.0005428300000000, 0.0000815800000000 ] - [ -0.0005144600000000, 0.0005428300000000, -0.0000815800000000 ] - [ -0.0001898200000000, 0.0002773000000000, 0.0000267300000000 ] - [ -0.0001898200000000, 0.0002773000000000, -0.0000267300000000 ] - [ -0.0001003000000000, 0.0007783100000000, 0.0000000000000000 ] - [ 0.0001817500000000, -0.0002996500000000, 0.0000000000000000 ] - [ 0.0002168500000000, 0.0002103600000000, 0.0000659300000000 ] - [ 0.0002168500000000, 0.0002103600000000, -0.0000659300000000 ] - [ 0.0003973900000000, -0.0000208900000000, 0.0001209800000000 ] - [ 0.0003973900000000, -0.0000208900000000, -0.0001209800000000 ] - [ 0.0000924900000000, -0.0000643400000000, 0.0000000000000000 ] - [ 0.0003747300000000, 0.0006253100000000, 0.0000406600000000 ] - [ 0.0003747300000000, 0.0006253100000000, -0.0000406600000000 ] - [ 0.0006939600000000, 0.0003125600000000, 0.0000000000000000 ] - [ 0.0000212000000000, 0.0006461100000000, -0.0000441900000000 ] - [ 0.0000212000000000, 0.0006461100000000, 0.0000441900000000 ] - [ -0.0000314600000000, -0.0000159800000000, -0.0000190100000000 ] - [ -0.0000314600000000, -0.0000159800000000, 0.0000190100000000 ] - [ 0.0006621400000000, 0.0000608200000000, 0.0000000000000000 ] - [ 0.0007115100000000, -0.0000298000000000, -0.0000861500000000 ] - [ 0.0007115100000000, -0.0000298000000000, 0.0000861500000000 ] - [ -0.0024112000000000, -0.0038776500000000, 0.0000000000000000 ] - [ 0.0003257400000000, 0.0050321700000000, -0.0049704400000000 ] - [ 0.0003257400000000, 0.0050321700000000, 0.0049704400000000 ] - [ 0.0002573000000000, -0.0004392700000000, -0.0003232100000000 ] - [ 0.0002573000000000, -0.0004392700000000, 0.0003232100000000 ] - [ 0.0001650300000000, -0.0002956900000000, 0.0000000000000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004568600000000, 0.0065333100000000, 0.0000000000000000 ] - [ 0.0049945600000000, 0.0131414900000000, 0.0000000000000000 ] - [ 0.0001215000000000, -0.0022001100000000, 0.0000000000000000 ] - [ 0.0000523900000000, -0.0029529000000000, 0.0000000000000000 ] - [ -0.0001020600000000, -0.0025313500000000, 0.0000000000000000 ] - [ 0.0000104200000000, -0.0020039500000000, 0.0000000000000000 ] - [ 0.0000729500000000, -0.0036398800000000, 0.0000000000000000 ] - [ 0.0000331900000000, -0.0014073300000000, 0.0000000000000000 ] - [ 0.0003633700000000, 0.0043758900000000, 0.0000000000000000 ] - [ 0.0012740800000000, 0.0064168300000000, 0.0021934200000000 ] - [ 0.0001968300000000, 0.0154441500000000, 0.0000000000000000 ] - [ 0.0012740800000000, 0.0064168300000000, -0.0021934200000000 ] - [ -0.0104309800000000, 0.0219689500000000, 0.0131384500000000 ] - [ -0.0104309800000000, 0.0219689500000000, -0.0131384500000000 ] - [ 0.0002722600000000, -0.0025625900000000, 0.0023205000000000 ] - [ 0.0002722600000000, -0.0025625900000000, -0.0023205000000000 ] - [ -0.0010421900000000, -0.0022574300000000, -0.0007067200000000 ] - [ -0.0010421900000000, -0.0022574300000000, 0.0007067200000000 ] - [ -0.0003317900000000, -0.0022614400000000, 0.0000118200000000 ] - [ -0.0003317900000000, -0.0022614400000000, -0.0000118200000000 ] - [ -0.0002742300000000, -0.0024638400000000, 0.0000000000000000 ] - [ -0.0001554600000000, -0.0020641200000000, 0.0007145400000000 ] - [ -0.0001554600000000, -0.0020641200000000, -0.0007145400000000 ] - [ 0.0002443700000000, -0.0020662800000000, 0.0000000000000000 ] - [ 0.0006687000000000, -0.0024410200000000, 0.0002931500000000 ] - [ 0.0006687000000000, -0.0024410200000000, -0.0002931500000000 ] - [ 0.0005172400000000, -0.0025076400000000, 0.0000311500000000 ] - [ 0.0005172400000000, -0.0025076400000000, -0.0000311500000000 ] - [ 0.0007950400000000, -0.0023466000000000, 0.0007069600000000 ] - [ 0.0007950400000000, -0.0023466000000000, -0.0007069600000000 ] - [ -0.0024172000000000, -0.0031930300000000, 0.0043708900000000 ] - [ -0.0024172000000000, -0.0031930300000000, -0.0043708900000000 ] - [ 0.0003328400000000, -0.0042701900000000, 0.0000000000000000 ] - [ -0.0000888200000000, -0.0058798700000000, -0.0010496100000000 ] - [ -0.0000888200000000, -0.0058798700000000, 0.0010496100000000 ] - [ -0.0047463500000000, -0.0099504900000000, -0.0010844900000000 ] - [ -0.0047463500000000, -0.0099504900000000, 0.0010844900000000 ] - [ 0.0361884500000000, -0.0805522100000000, 0.0000000000000000 ] - [ -0.0049949800000000, 0.0076605400000000, -0.0102879200000000 ] - [ -0.0049949800000000, 0.0076605400000000, 0.0102879200000000 ] - [ -0.0004393300000000, -0.0002037200000000, 0.0000000000000000 ] - [ -0.0009842800000000, 0.0016417300000000, -0.0018214100000000 ] - [ -0.0009842800000000, 0.0016417300000000, 0.0018214100000000 ] - [ 0.0002425600000000, 0.0018388200000000, 0.0001594200000000 ] - [ 0.0002425600000000, 0.0018388200000000, -0.0001594200000000 ] - [ -0.0005902700000000, 0.0015595800000000, 0.0000000000000000 ] - [ -0.0001724600000000, 0.0018156200000000, 0.0004532100000000 ] - [ -0.0001724600000000, 0.0018156200000000, -0.0004532100000000 ] - [ 0.0002169500000000, 0.0017677500000000, 0.0000000000000000 ] - [ -0.0008314500000000, 0.0018265900000000, 0.0000361500000000 ] - [ -0.0008314500000000, 0.0018265900000000, -0.0000361500000000 ] - [ -0.0000797500000000, 0.0015898300000000, 0.0002231700000000 ] - [ -0.0000797500000000, 0.0015898300000000, -0.0002231700000000 ] - [ 0.0000741300000000, 0.0022124700000000, 0.0000000000000000 ] - [ 0.0003835900000000, 0.0010855300000000, 0.0000000000000000 ] - [ 0.0002972500000000, 0.0015381900000000, 0.0002719900000000 ] - [ 0.0002972500000000, 0.0015381900000000, -0.0002719900000000 ] - [ 0.0001080700000000, 0.0013059200000000, 0.0002255800000000 ] - [ 0.0001080700000000, 0.0013059200000000, -0.0002255800000000 ] - [ 0.0002805700000000, 0.0011925700000000, 0.0000000000000000 ] - [ 0.0004987700000000, 0.0024745200000000, 0.0003651200000000 ] - [ 0.0004987700000000, 0.0024745200000000, -0.0003651200000000 ] - [ 0.0008209400000000, 0.0015221000000000, 0.0000000000000000 ] - [ 0.0002108000000000, 0.0021784000000000, -0.0001238600000000 ] - [ 0.0002108000000000, 0.0021784000000000, 0.0001238600000000 ] - [ -0.0002764200000000, 0.0015200000000000, -0.0002587100000000 ] - [ -0.0002764200000000, 0.0015200000000000, 0.0002587100000000 ] - [ 0.0006309900000000, 0.0008938100000000, 0.0000000000000000 ] - [ 0.0004659400000000, 0.0018995000000000, 0.0009558500000000 ] - [ 0.0004659400000000, 0.0018995000000000, -0.0009558500000000 ] - [ 0.0041625300000000, 0.0056040600000000, 0.0000000000000000 ] - [ -0.0029126500000000, 0.0071032700000000, -0.0089388500000000 ] - [ -0.0029126500000000, 0.0071032700000000, 0.0089388500000000 ] - [ 0.0002842600000000, -0.0019199200000000, -0.0017519800000000 ] - [ 0.0002842600000000, -0.0019199200000000, 0.0017519800000000 ] - [ 0.0003418200000000, -0.0018300700000000, 0.0000000000000000 ]- atom: 38 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006111600000000, -0.0061814900000000, 0.0000000000000000 ] - [ -0.0045314800000000, -0.0122400400000000, 0.0000000000000000 ] - [ -0.0000237400000000, 0.0018228600000000, 0.0000000000000000 ] - [ 0.0000987800000000, 0.0026513500000000, 0.0000000000000000 ] - [ -0.0000501600000000, 0.0028207300000000, 0.0000000000000000 ] - [ -0.0001117500000000, 0.0023729100000000, 0.0000000000000000 ] - [ -0.0001778500000000, 0.0032667600000000, 0.0000000000000000 ] - [ -0.0001875000000000, 0.0010955200000000, 0.0000000000000000 ] - [ -0.0003813100000000, -0.0044196400000000, 0.0000000000000000 ] - [ -0.0012774300000000, -0.0064771100000000, -0.0036506600000000 ] - [ 0.0005283100000000, -0.0158712400000000, 0.0000000000000000 ] - [ -0.0012774300000000, -0.0064771100000000, 0.0036506600000000 ] - [ 0.0094600800000000, -0.0223108400000000, -0.0128871000000000 ] - [ 0.0094600800000000, -0.0223108400000000, 0.0128871000000000 ] - [ -0.0016098700000000, 0.0024250700000000, -0.0026529100000000 ] - [ -0.0016098700000000, 0.0024250700000000, 0.0026529100000000 ] - [ -0.0002904000000000, 0.0023983800000000, 0.0003661800000000 ] - [ -0.0002904000000000, 0.0023983800000000, -0.0003661800000000 ] - [ -0.0006720600000000, 0.0024175500000000, -0.0002641000000000 ] - [ -0.0006720600000000, 0.0024175500000000, 0.0002641000000000 ] - [ 0.0002713000000000, 0.0024570900000000, 0.0000000000000000 ] - [ 0.0001545600000000, 0.0020590500000000, 0.0007492400000000 ] - [ 0.0001545600000000, 0.0020590500000000, -0.0007492400000000 ] - [ -0.0002429800000000, 0.0020610700000000, 0.0000000000000000 ] - [ 0.0003384100000000, 0.0022723700000000, -0.0000413900000000 ] - [ 0.0003384100000000, 0.0022723700000000, 0.0000413900000000 ] - [ 0.0008138300000000, 0.0023550000000000, -0.0003646700000000 ] - [ 0.0008138300000000, 0.0023550000000000, 0.0003646700000000 ] - [ 0.0005385400000000, 0.0024882200000000, -0.0003738800000000 ] - [ 0.0005385400000000, 0.0024882200000000, 0.0003738800000000 ] - [ 0.0034350900000000, 0.0033584200000000, -0.0041415800000000 ] - [ 0.0034350900000000, 0.0033584200000000, 0.0041415800000000 ] - [ -0.0006538900000000, 0.0031630600000000, 0.0000000000000000 ] - [ -0.0002878400000000, 0.0058391000000000, 0.0009651100000000 ] - [ -0.0002878400000000, 0.0058391000000000, -0.0009651100000000 ] - [ 0.0038927700000000, 0.0094510000000000, 0.0008196300000000 ] - [ 0.0038927700000000, 0.0094510000000000, -0.0008196300000000 ] - [ -0.0374777800000000, 0.0802448300000000, 0.0000000000000000 ] - [ 0.0042594300000000, -0.0070482400000000, 0.0102222800000000 ] - [ 0.0042594300000000, -0.0070482400000000, -0.0102222800000000 ] - [ -0.0008767700000000, 0.0003983500000000, 0.0000000000000000 ] - [ 0.0010048200000000, -0.0009318800000000, 0.0018544900000000 ] - [ 0.0010048200000000, -0.0009318800000000, -0.0018544900000000 ] - [ -0.0002063900000000, -0.0025353000000000, -0.0001130300000000 ] - [ -0.0002063900000000, -0.0025353000000000, 0.0001130300000000 ] - [ -0.0007326300000000, -0.0017546800000000, 0.0000000000000000 ] - [ -0.0005223700000000, -0.0023640500000000, -0.0004033400000000 ] - [ -0.0005223700000000, -0.0023640500000000, 0.0004033400000000 ] - [ -0.0002932000000000, -0.0011690100000000, 0.0000000000000000 ] - [ -0.0001038500000000, -0.0012892600000000, 0.0001988600000000 ] - [ -0.0001038500000000, -0.0012892600000000, -0.0001988600000000 ] - [ -0.0002910700000000, -0.0015320100000000, -0.0002497500000000 ] - [ -0.0002910700000000, -0.0015320100000000, 0.0002497500000000 ] - [ -0.0003932600000000, -0.0011029600000000, 0.0000000000000000 ] - [ -0.0000626300000000, -0.0021848500000000, 0.0000000000000000 ] - [ 0.0000812000000000, -0.0015841200000000, -0.0002342900000000 ] - [ 0.0000812000000000, -0.0015841200000000, 0.0002342900000000 ] - [ 0.0008119700000000, -0.0018319100000000, 0.0000092300000000 ] - [ 0.0008119700000000, -0.0018319100000000, -0.0000092300000000 ] - [ -0.0001898300000000, -0.0017788700000000, 0.0000000000000000 ] - [ 0.0001971800000000, -0.0019263900000000, -0.0004147000000000 ] - [ 0.0001971800000000, -0.0019263900000000, 0.0004147000000000 ] - [ 0.0004996900000000, -0.0013162100000000, 0.0000000000000000 ] - [ -0.0002413000000000, -0.0014661000000000, 0.0000754900000000 ] - [ -0.0002413000000000, -0.0014661000000000, -0.0000754900000000 ] - [ 0.0002430100000000, -0.0022218100000000, 0.0002143100000000 ] - [ 0.0002430100000000, -0.0022218100000000, -0.0002143100000000 ] - [ 0.0006889700000000, -0.0010927000000000, 0.0000000000000000 ] - [ 0.0002289100000000, -0.0024343100000000, -0.0009087500000000 ] - [ 0.0002289100000000, -0.0024343100000000, 0.0009087500000000 ] - [ -0.0041508600000000, -0.0050723200000000, 0.0000000000000000 ] - [ 0.0038821400000000, -0.0066699400000000, 0.0088358400000000 ] - [ 0.0038821400000000, -0.0066699400000000, -0.0088358400000000 ] - [ 0.0000933100000000, 0.0019926000000000, 0.0017158000000000 ] - [ 0.0000933100000000, 0.0019926000000000, -0.0017158000000000 ] - [ -0.0000259400000000, 0.0029625000000000, 0.0000000000000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000682600000000, 0.0001285700000000, -0.0057703800000000 ] - [ 0.0000232000000000, 0.0001542000000000, 0.0095707000000000 ] - [ 0.0000465000000000, -0.0001860800000000, -0.0008355000000000 ] - [ 0.0000744900000000, -0.0001442600000000, 0.0005923600000000 ] - [ -0.0000735700000000, 0.0001417800000000, 0.0000651700000000 ] - [ -0.0000461200000000, 0.0001813700000000, -0.0000905300000000 ] - [ -0.0000426400000000, -0.0001861900000000, 0.0018092800000000 ] - [ -0.0000723900000000, -0.0001387400000000, -0.0014847700000000 ] - [ 0.0000169700000000, 0.0000246500000000, -0.0125755900000000 ] - [ -0.0034612800000000, 0.0054773400000000, -0.0086381900000000 ] - [ 0.0000039600000000, -0.0000044200000000, 0.0223422100000000 ] - [ 0.0034314100000000, -0.0054467800000000, -0.0072132200000000 ] - [ -0.0358466000000000, 0.0119461000000000, 0.0707383600000000 ] - [ 0.0322214800000000, -0.0109485300000000, 0.0669357400000000 ] - [ -0.0024089700000000, 0.0038576800000000, -0.0046522700000000 ] - [ 0.0010795600000000, -0.0040042300000000, -0.0043146100000000 ] - [ -0.0012171500000000, -0.0010631600000000, 0.0005837900000000 ] - [ -0.0001171300000000, 0.0012109800000000, 0.0009142500000000 ] - [ -0.0005192800000000, -0.0002072200000000, -0.0001776100000000 ] - [ -0.0004852000000000, 0.0003657300000000, 0.0000739900000000 ] - [ -0.0000005300000000, -0.0000011100000000, -0.0000789300000000 ] - [ -0.0000105500000000, -0.0000337100000000, 0.0007652500000000 ] - [ 0.0000107400000000, 0.0000319900000000, -0.0006884500000000 ] - [ 0.0000002500000000, -0.0000009600000000, 0.0000636100000000 ] - [ 0.0004957600000000, -0.0001043400000000, 0.0001136400000000 ] - [ 0.0005066900000000, -0.0000572300000000, -0.0001372700000000 ] - [ 0.0007059300000000, 0.0000680600000000, -0.0000729200000000 ] - [ 0.0006277600000000, -0.0002163800000000, 0.0002591400000000 ] - [ 0.0005190500000000, 0.0006059100000000, -0.0003072100000000 ] - [ 0.0008140800000000, -0.0004603000000000, -0.0006422100000000 ] - [ 0.0033100100000000, 0.0037680900000000, 0.0014799300000000 ] - [ -0.0023152000000000, -0.0036005100000000, 0.0012001200000000 ] - [ -0.0001693100000000, -0.0005562400000000, 0.0061197800000000 ] - [ 0.0007055700000000, -0.0041926200000000, 0.0226942800000000 ] - [ -0.0010310500000000, 0.0040973200000000, 0.0224267700000000 ] - [ 0.0001002300000000, -0.0021102700000000, 0.0034419100000000 ] - [ -0.0010540600000000, 0.0015775200000000, 0.0036915300000000 ] - [ 0.0026040400000000, -0.0014914400000000, -0.2090300700000000 ] - [ 0.0034823600000000, -0.0137427900000000, 0.0049701700000000 ] - [ -0.0042047200000000, 0.0143996200000000, 0.0049125400000000 ] - [ -0.0006565100000000, 0.0000987200000000, 0.0042046300000000 ] - [ 0.0009654100000000, -0.0006640500000000, 0.0001106800000000 ] - [ -0.0009497800000000, 0.0013622500000000, 0.0000532300000000 ] - [ 0.0002261500000000, 0.0016365400000000, 0.0002718700000000 ] - [ -0.0001966700000000, -0.0023167800000000, 0.0002288800000000 ] - [ -0.0006553200000000, -0.0001004800000000, -0.0010035600000000 ] - [ -0.0002137400000000, 0.0002351400000000, 0.0001932900000000 ] - [ -0.0004742600000000, -0.0007817800000000, 0.0001324400000000 ] - [ -0.0000468200000000, 0.0002878200000000, 0.0001266200000000 ] - [ -0.0005079600000000, 0.0003402800000000, 0.0001516400000000 ] - [ -0.0004154800000000, 0.0001804800000000, -0.0000655200000000 ] - [ -0.0002137500000000, -0.0000319000000000, -0.0000810300000000 ] - [ -0.0001534900000000, 0.0000815600000000, -0.0000504400000000 ] - [ -0.0001662100000000, 0.0005540800000000, -0.0000474400000000 ] - [ 0.0001667800000000, -0.0005530900000000, -0.0000326100000000 ] - [ 0.0001812300000000, -0.0000203100000000, 0.0000047800000000 ] - [ 0.0001909600000000, -0.0000254500000000, -0.0000346900000000 ] - [ 0.0004513100000000, -0.0002499900000000, 0.0001214300000000 ] - [ 0.0004641100000000, -0.0002659000000000, -0.0000955200000000 ] - [ 0.0000523200000000, -0.0002841800000000, 0.0000307500000000 ] - [ 0.0003576200000000, 0.0003303400000000, -0.0000104600000000 ] - [ 0.0003303700000000, 0.0002081800000000, 0.0000527100000000 ] - [ 0.0006554000000000, 0.0000968300000000, -0.0001208900000000 ] - [ 0.0000034900000000, 0.0005346300000000, 0.0000016600000000 ] - [ -0.0000275800000000, 0.0001647800000000, 0.0000492700000000 ] - [ 0.0000675900000000, -0.0005029400000000, -0.0000221900000000 ] - [ -0.0000955100000000, -0.0001897100000000, 0.0000247900000000 ] - [ 0.0006564600000000, -0.0000983200000000, 0.0004275000000000 ] - [ 0.0007868800000000, 0.0008522300000000, -0.0002043700000000 ] - [ -0.0000968600000000, -0.0013943700000000, -0.0002685300000000 ] - [ 0.0000547600000000, 0.0003025200000000, -0.0041107300000000 ] - [ 0.0016240700000000, -0.0086575700000000, 0.0011693000000000 ] - [ -0.0006713000000000, 0.0091539400000000, 0.0014338900000000 ] - [ -0.0002353500000000, -0.0015726400000000, 0.0016579400000000 ] - [ 0.0005939900000000, 0.0016125300000000, 0.0016993300000000 ] - [ 0.0001751400000000, 0.0005372200000000, 0.0049465300000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031126500000000, -0.0011050500000000, 0.0024997300000000 ] - [ -0.0010397100000000, -0.0013023800000000, 0.0047504200000000 ] - [ 0.0000484500000000, 0.0001207800000000, -0.0003963400000000 ] - [ 0.0001173800000000, 0.0000081200000000, 0.0002415500000000 ] - [ -0.0000709500000000, 0.0003999200000000, 0.0000077800000000 ] - [ -0.0000535000000000, 0.0004036800000000, -0.0000113700000000 ] - [ -0.0000571500000000, -0.0000079300000000, 0.0001211100000000 ] - [ -0.0001534100000000, 0.0002258300000000, -0.0000874600000000 ] - [ 0.0014444900000000, 0.0009728600000000, 0.0009090600000000 ] - [ -0.0004668700000000, 0.0000614800000000, -0.0008894900000000 ] - [ -0.0021737800000000, -0.0001841300000000, 0.0027508200000000 ] - [ -0.0021880300000000, -0.0004116200000000, -0.0016066200000000 ] - [ 0.0006558000000000, -0.0008017300000000, -0.0008692900000000 ] - [ 0.0092709500000000, 0.0043898300000000, 0.0017632100000000 ] - [ 0.0206968700000000, -0.0302550500000000, 0.0244317800000000 ] - [ -0.0014162600000000, -0.0009162600000000, -0.0014216900000000 ] - [ -0.0004259500000000, -0.0008633200000000, 0.0000735200000000 ] - [ -0.0018022700000000, 0.0017302800000000, 0.0024107800000000 ] - [ -0.0005299700000000, 0.0001189100000000, -0.0002087500000000 ] - [ -0.0005337800000000, 0.0006139600000000, 0.0001283000000000 ] - [ 0.0000401300000000, 0.0002520500000000, -0.0000540700000000 ] - [ 0.0000047600000000, 0.0001617100000000, 0.0007454300000000 ] - [ 0.0000357700000000, 0.0002186700000000, -0.0006919200000000 ] - [ -0.0000357600000000, 0.0001874900000000, 0.0000547300000000 ] - [ 0.0004806100000000, 0.0001590700000000, 0.0001052500000000 ] - [ 0.0004883400000000, 0.0001452100000000, -0.0001195600000000 ] - [ 0.0006809900000000, 0.0001722600000000, -0.0001670600000000 ] - [ 0.0006733700000000, 0.0001518600000000, 0.0001833400000000 ] - [ 0.0006574100000000, 0.0003346900000000, 0.0001660300000000 ] - [ 0.0006853500000000, 0.0002497300000000, -0.0002400200000000 ] - [ 0.0007805400000000, 0.0005894500000000, 0.0003600100000000 ] - [ 0.0004407300000000, 0.0003838000000000, -0.0002708300000000 ] - [ -0.0000530200000000, -0.0001836400000000, 0.0006475400000000 ] - [ -0.0001632000000000, 0.0000277400000000, 0.0000698500000000 ] - [ -0.0009046800000000, -0.0060755200000000, -0.0036993700000000 ] - [ -0.0005000200000000, -0.0007670500000000, -0.0003671500000000 ] - [ 0.0050282600000000, 0.0079711800000000, -0.0016943200000000 ] - [ 0.0007780000000000, -0.0049406500000000, 0.0038392100000000 ] - [ -0.0483590300000000, 0.0358371200000000, -0.0377829700000000 ] - [ 0.0000474800000000, 0.0011229700000000, 0.0004915000000000 ] - [ -0.0020503700000000, -0.0002045600000000, 0.0032665200000000 ] - [ 0.0188977500000000, -0.0063178800000000, 0.0007053500000000 ] - [ -0.0000173200000000, 0.0017724100000000, 0.0006763000000000 ] - [ -0.0000197200000000, -0.0001637600000000, 0.0003356800000000 ] - [ 0.0004195500000000, 0.0001333000000000, -0.0002424300000000 ] - [ -0.0004898300000000, 0.0000381000000000, -0.0010134300000000 ] - [ -0.0003348400000000, -0.0000854900000000, 0.0001222000000000 ] - [ -0.0004426500000000, -0.0013208000000000, 0.0000590500000000 ] - [ -0.0000825600000000, 0.0001248600000000, 0.0001359800000000 ] - [ -0.0004622300000000, 0.0001727500000000, 0.0001631600000000 ] - [ -0.0003609000000000, 0.0000463300000000, -0.0001016800000000 ] - [ -0.0002428600000000, -0.0001909100000000, -0.0001353000000000 ] - [ -0.0001897300000000, -0.0000545100000000, 0.0000132800000000 ] - [ -0.0001612700000000, 0.0004270400000000, -0.0000410600000000 ] - [ 0.0001211700000000, -0.0007011000000000, -0.0000359700000000 ] - [ 0.0001903200000000, -0.0001577600000000, 0.0000065900000000 ] - [ 0.0001802900000000, -0.0001845600000000, -0.0000058200000000 ] - [ 0.0004699200000000, -0.0004051000000000, 0.0001180100000000 ] - [ 0.0005059200000000, -0.0004425700000000, -0.0000937600000000 ] - [ 0.0000298700000000, -0.0004451900000000, 0.0000011400000000 ] - [ 0.0003360000000000, 0.0000651100000000, -0.0000586500000000 ] - [ 0.0003346100000000, 0.0000533400000000, 0.0000595800000000 ] - [ 0.0006448800000000, -0.0000286700000000, -0.0000065200000000 ] - [ -0.0000329300000000, 0.0002067600000000, -0.0000028500000000 ] - [ -0.0000403900000000, 0.0001710100000000, 0.0000050900000000 ] - [ 0.0000057800000000, -0.0005493900000000, -0.0000650700000000 ] - [ -0.0000090000000000, -0.0005221600000000, 0.0000637900000000 ] - [ 0.0006975600000000, -0.0002612100000000, 0.0000386100000000 ] - [ 0.0004459100000000, -0.0003118400000000, 0.0000174300000000 ] - [ 0.0003215200000000, -0.0005013300000000, -0.0000561000000000 ] - [ -0.0003055200000000, 0.0004145400000000, -0.0004485400000000 ] - [ 0.0005110400000000, -0.0003557300000000, -0.0000673400000000 ] - [ 0.0015834300000000, 0.0008865200000000, 0.0002885700000000 ] - [ 0.0001459200000000, -0.0001189500000000, -0.0000270300000000 ] - [ -0.0003715600000000, -0.0000731100000000, 0.0005615900000000 ] - [ 0.0007565600000000, -0.0003117800000000, -0.0004090500000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033007500000000, 0.0014135200000000, -0.0024853000000000 ] - [ 0.0014324100000000, 0.0016796800000000, -0.0045213400000000 ] - [ 0.0000531700000000, -0.0004852800000000, 0.0003932900000000 ] - [ 0.0000308300000000, -0.0003092600000000, -0.0002364100000000 ] - [ -0.0000783000000000, -0.0001093300000000, -0.0000095400000000 ] - [ -0.0000455900000000, -0.0000426800000000, 0.0000107200000000 ] - [ -0.0000438400000000, -0.0003622100000000, -0.0001199200000000 ] - [ 0.0000029200000000, -0.0005235400000000, 0.0000853600000000 ] - [ -0.0014574000000000, -0.0009791700000000, -0.0009309700000000 ] - [ 0.0004690900000000, -0.0000516800000000, -0.0005944400000000 ] - [ 0.0021834700000000, 0.0001884300000000, -0.0027347300000000 ] - [ 0.0022158000000000, 0.0004043300000000, 0.0030764300000000 ] - [ -0.0016679100000000, 0.0006636400000000, 0.0011235500000000 ] - [ -0.0101352500000000, -0.0040132200000000, -0.0019374300000000 ] - [ -0.0216847400000000, 0.0306371300000000, -0.0251026600000000 ] - [ 0.0000644900000000, 0.0007680800000000, 0.0017174000000000 ] - [ -0.0008960500000000, 0.0009933800000000, -0.0004140100000000 ] - [ 0.0004942400000000, -0.0016073500000000, -0.0020732200000000 ] - [ -0.0004744800000000, 0.0000333500000000, -0.0000404500000000 ] - [ -0.0004717100000000, -0.0004607800000000, 0.0001206600000000 ] - [ -0.0000416400000000, -0.0002560200000000, 0.0000544400000000 ] - [ -0.0000085600000000, -0.0001660000000000, 0.0007263600000000 ] - [ -0.0000328700000000, -0.0002225800000000, -0.0007807200000000 ] - [ 0.0000374200000000, -0.0001914800000000, -0.0000552100000000 ] - [ 0.0005262100000000, -0.0003171400000000, 0.0001429100000000 ] - [ 0.0005191100000000, -0.0003077900000000, -0.0001296300000000 ] - [ 0.0006526700000000, -0.0003213700000000, -0.0001708300000000 ] - [ 0.0006581100000000, -0.0003006600000000, 0.0001529000000000 ] - [ 0.0006753200000000, -0.0001926500000000, 0.0001706600000000 ] - [ 0.0006495100000000, -0.0001085400000000, -0.0000963000000000 ] - [ 0.0002257100000000, -0.0004314900000000, -0.0001116600000000 ] - [ 0.0005583500000000, -0.0002325100000000, 0.0000261300000000 ] - [ -0.0002763800000000, -0.0009361000000000, -0.0006420800000000 ] - [ -0.0002016100000000, -0.0000935900000000, -0.0001072300000000 ] - [ 0.0004700000000000, 0.0060616300000000, 0.0037686300000000 ] - [ -0.0004207200000000, 0.0002068400000000, 0.0001628800000000 ] - [ -0.0059035000000000, -0.0085462700000000, 0.0019049500000000 ] - [ -0.0009102400000000, 0.0043236100000000, -0.0038444800000000 ] - [ 0.0469071800000000, -0.0364663700000000, 0.0378217700000000 ] - [ -0.0007469900000000, -0.0005860900000000, -0.0005411400000000 ] - [ 0.0007524700000000, 0.0003845000000000, -0.0031945100000000 ] - [ -0.0189325400000000, 0.0071822800000000, -0.0007214100000000 ] - [ 0.0000492500000000, -0.0010508500000000, -0.0006913300000000 ] - [ 0.0000437100000000, -0.0005330700000000, -0.0002813500000000 ] - [ -0.0004012400000000, -0.0008386800000000, 0.0001956500000000 ] - [ -0.0008322000000000, -0.0002276800000000, 0.0010128500000000 ] - [ -0.0003550700000000, -0.0004572300000000, -0.0000655300000000 ] - [ -0.0002492400000000, 0.0007864200000000, -0.0001169500000000 ] - [ -0.0000109700000000, 0.0004654100000000, -0.0001312200000000 ] - [ -0.0004601000000000, 0.0003605200000000, 0.0000608700000000 ] - [ -0.0005571600000000, 0.0004879400000000, -0.0001155800000000 ] - [ -0.0001301000000000, 0.0002488400000000, 0.0000973500000000 ] - [ -0.0001853900000000, 0.0001102600000000, 0.0000175100000000 ] - [ -0.0001502100000000, 0.0006760100000000, 0.0000334400000000 ] - [ 0.0001936400000000, -0.0003958300000000, 0.0000278000000000 ] - [ 0.0001960900000000, 0.0001135000000000, 0.0000420200000000 ] - [ 0.0001910600000000, 0.0001302700000000, -0.0000295300000000 ] - [ 0.0004333500000000, -0.0001161200000000, 0.0001047500000000 ] - [ 0.0004147400000000, -0.0000881200000000, -0.0001238400000000 ] - [ 0.0000739600000000, -0.0001368400000000, -0.0000146700000000 ] - [ 0.0003558400000000, 0.0004844500000000, 0.0000039800000000 ] - [ 0.0003565100000000, 0.0004815100000000, -0.0000025400000000 ] - [ 0.0006729100000000, 0.0002312500000000, 0.0000041500000000 ] - [ 0.0000103700000000, 0.0004956900000000, -0.0000452400000000 ] - [ 0.0000194600000000, 0.0005295600000000, 0.0000431000000000 ] - [ -0.0000323800000000, -0.0001414200000000, 0.0000195200000000 ] - [ -0.0000196100000000, -0.0001709500000000, -0.0000179700000000 ] - [ 0.0006203800000000, 0.0000618800000000, -0.0000357700000000 ] - [ 0.0002485200000000, -0.0002280100000000, 0.0000323100000000 ] - [ 0.0003704900000000, -0.0000405000000000, 0.0000007700000000 ] - [ 0.0004075500000000, 0.0001694800000000, 0.0004418000000000 ] - [ 0.0004082800000000, 0.0008903900000000, -0.0001430800000000 ] - [ -0.0006681700000000, -0.0003484700000000, -0.0000803400000000 ] - [ 0.0002192500000000, 0.0001723400000000, -0.0000143400000000 ] - [ 0.0007460800000000, 0.0001263100000000, -0.0005127800000000 ] - [ -0.0004285000000000, 0.0014324800000000, 0.0004207600000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002683000000000, 0.0152213500000000, 0.0000692600000000 ] - [ 0.0011284400000000, 0.0170537800000000, -0.0019309200000000 ] - [ 0.0003911200000000, -0.0030182300000000, 0.0038335800000000 ] - [ 0.0004982700000000, -0.0044455600000000, -0.0026789100000000 ] - [ -0.0001070700000000, -0.0037373400000000, -0.0000008300000000 ] - [ 0.0000455800000000, -0.0030911400000000, -0.0000044200000000 ] - [ -0.0000945700000000, -0.0035951400000000, 0.0003625600000000 ] - [ 0.0000630500000000, -0.0038589500000000, -0.0003565200000000 ] - [ -0.0028698400000000, -0.0018784300000000, -0.0054360000000000 ] - [ 0.0003095300000000, 0.0010346300000000, -0.0014917700000000 ] - [ 0.0024907100000000, -0.0041274900000000, 0.0053248200000000 ] - [ 0.0033779000000000, -0.0042601600000000, -0.0035677000000000 ] - [ -0.0027423600000000, 0.0094150200000000, 0.0058943600000000 ] - [ 0.0067437100000000, 0.1181786500000000, 0.0038317200000000 ] - [ -0.0329174400000000, 0.0870640100000000, -0.0514577100000000 ] - [ -0.0007237200000000, 0.0050426900000000, 0.0054938900000000 ] - [ -0.0011812400000000, 0.0025484400000000, -0.0028564900000000 ] - [ -0.0073983300000000, -0.0058720700000000, -0.0028332500000000 ] - [ -0.0001886300000000, -0.0020647200000000, 0.0002974800000000 ] - [ -0.0003365900000000, -0.0043846300000000, 0.0001380400000000 ] - [ -0.0003572900000000, -0.0036254400000000, 0.0002956500000000 ] - [ -0.0001746300000000, -0.0028768700000000, 0.0005807000000000 ] - [ -0.0002504800000000, -0.0031879800000000, -0.0008698700000000 ] - [ 0.0003562900000000, -0.0029926900000000, -0.0002292500000000 ] - [ 0.0007508400000000, -0.0035743100000000, 0.0003999500000000 ] - [ 0.0007208200000000, -0.0034843100000000, -0.0003456000000000 ] - [ 0.0004406700000000, -0.0035344900000000, 0.0000407200000000 ] - [ 0.0004067800000000, -0.0036151600000000, -0.0000104300000000 ] - [ 0.0008561300000000, -0.0032951000000000, 0.0002489100000000 ] - [ 0.0009648200000000, -0.0035610500000000, -0.0004981400000000 ] - [ 0.0000853000000000, -0.0026598900000000, 0.0009872800000000 ] - [ -0.0005989200000000, -0.0044331100000000, 0.0002909000000000 ] - [ 0.0006309300000000, -0.0034753500000000, 0.0028078600000000 ] - [ -0.0000939600000000, -0.0037342700000000, 0.0002977300000000 ] - [ -0.0070686800000000, 0.0121690800000000, 0.0122880200000000 ] - [ -0.0014904200000000, -0.0037334200000000, -0.0021874900000000 ] - [ 0.0095309100000000, 0.0094630400000000, -0.0021323600000000 ] - [ -0.0067907400000000, 0.0069762200000000, -0.0139446300000000 ] - [ 0.0370328000000000, -0.2640288400000000, 0.0693260800000000 ] - [ 0.0005031700000000, -0.0098113800000000, -0.0025235100000000 ] - [ -0.0008104100000000, -0.0035061200000000, -0.0138747700000000 ] - [ -0.0079600900000000, 0.0016234900000000, -0.0035851000000000 ] - [ -0.0003033000000000, -0.0034599200000000, -0.0006566400000000 ] - [ -0.0001382500000000, -0.0022665200000000, 0.0000525600000000 ] - [ 0.0023372900000000, 0.0190181200000000, -0.0031271900000000 ] - [ 0.0002780800000000, 0.0002345900000000, 0.0040403500000000 ] - [ -0.0005419400000000, 0.0003586900000000, -0.0001254000000000 ] - [ 0.0007044500000000, 0.0040142900000000, -0.0011839500000000 ] - [ 0.0002248200000000, 0.0023913900000000, -0.0005019300000000 ] - [ -0.0007348800000000, 0.0022371800000000, -0.0001905300000000 ] - [ -0.0011200800000000, 0.0029211000000000, -0.0001696600000000 ] - [ 0.0000266600000000, 0.0025308400000000, 0.0005700200000000 ] - [ -0.0002282200000000, 0.0020718100000000, -0.0000351300000000 ] - [ 0.0002108900000000, 0.0029481900000000, 0.0001831800000000 ] - [ 0.0004974700000000, 0.0018130600000000, 0.0001061100000000 ] - [ 0.0003565100000000, 0.0022261000000000, 0.0004279500000000 ] - [ 0.0003319400000000, 0.0022961700000000, -0.0003550300000000 ] - [ -0.0000240100000000, 0.0019706100000000, 0.0002348900000000 ] - [ -0.0001075600000000, 0.0021068700000000, -0.0002966500000000 ] - [ 0.0004060100000000, 0.0019062200000000, -0.0000779400000000 ] - [ 0.0005607900000000, 0.0035065500000000, 0.0005219000000000 ] - [ 0.0005614600000000, 0.0034229900000000, -0.0005113900000000 ] - [ 0.0009042100000000, 0.0020681600000000, -0.0000296300000000 ] - [ 0.0003468200000000, 0.0030667900000000, -0.0002451400000000 ] - [ 0.0003445800000000, 0.0029638000000000, 0.0002615600000000 ] - [ -0.0003609200000000, 0.0022858500000000, 0.0001883500000000 ] - [ -0.0003895400000000, 0.0023408100000000, -0.0001653300000000 ] - [ 0.0004036100000000, 0.0018343600000000, 0.0001103700000000 ] - [ 0.0003122200000000, 0.0032161800000000, 0.0005944000000000 ] - [ 0.0001243000000000, 0.0025674300000000, -0.0007182700000000 ] - [ -0.0002197200000000, 0.0024685700000000, -0.0011192700000000 ] - [ 0.0002368000000000, 0.0018657000000000, -0.0012960800000000 ] - [ 0.0021423000000000, 0.0046062100000000, -0.0003211100000000 ] - [ 0.0000103400000000, 0.0006349400000000, 0.0002830400000000 ] - [ 0.0005437100000000, 0.0022645400000000, 0.0008003700000000 ] - [ -0.0011374800000000, 0.0032415600000000, 0.0027573500000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000955900000000, -0.0149648200000000, -0.0001023100000000 ] - [ -0.0010936800000000, -0.0167097300000000, 0.0019239400000000 ] - [ -0.0002866700000000, 0.0026545300000000, -0.0038167100000000 ] - [ -0.0003424300000000, 0.0041485600000000, 0.0026694900000000 ] - [ -0.0000470400000000, 0.0040384500000000, 0.0000010400000000 ] - [ -0.0001495900000000, 0.0034699000000000, 0.0000045400000000 ] - [ -0.0000084200000000, 0.0032275000000000, -0.0003640600000000 ] - [ -0.0002157100000000, 0.0035660400000000, 0.0003551700000000 ] - [ 0.0028812800000000, 0.0018793900000000, 0.0054540700000000 ] - [ -0.0003136800000000, -0.0010449900000000, 0.0000306900000000 ] - [ -0.0025067800000000, 0.0041377900000000, -0.0053434300000000 ] - [ -0.0033881900000000, 0.0042696600000000, 0.0050477700000000 ] - [ 0.0017557700000000, -0.0096311800000000, -0.0056701400000000 ] - [ -0.0082248100000000, -0.1263274500000000, -0.0041338800000000 ] - [ 0.0296695300000000, -0.0840751300000000, 0.0479444900000000 ] - [ -0.0006184400000000, -0.0051635300000000, -0.0051960000000000 ] - [ -0.0001511400000000, -0.0023843100000000, 0.0025128200000000 ] - [ 0.0060133800000000, 0.0060374200000000, 0.0031777500000000 ] - [ -0.0008124600000000, 0.0022288500000000, -0.0005454600000000 ] - [ -0.0006661700000000, 0.0045435100000000, 0.0001122900000000 ] - [ 0.0003569300000000, 0.0036279800000000, -0.0002951100000000 ] - [ 0.0001704900000000, 0.0028793400000000, 0.0008807600000000 ] - [ 0.0002533300000000, 0.0031892500000000, -0.0005900600000000 ] - [ -0.0003558000000000, 0.0029941400000000, 0.0002288600000000 ] - [ 0.0002506900000000, 0.0034251800000000, -0.0001525100000000 ] - [ 0.0002810400000000, 0.0033315800000000, 0.0000980300000000 ] - [ 0.0008966200000000, 0.0033968700000000, -0.0003744800000000 ] - [ 0.0009280500000000, 0.0034773000000000, 0.0003420800000000 ] - [ 0.0004783900000000, 0.0034417900000000, 0.0000832200000000 ] - [ 0.0003706400000000, 0.0037049700000000, 0.0001665700000000 ] - [ 0.0009197500000000, 0.0028178300000000, -0.0007436200000000 ] - [ 0.0016034300000000, 0.0045973900000000, -0.0005393100000000 ] - [ -0.0009615900000000, 0.0023947000000000, -0.0028199900000000 ] - [ -0.0002800800000000, 0.0037121100000000, -0.0003378600000000 ] - [ 0.0068159300000000, -0.0123841900000000, -0.0124543300000000 ] - [ 0.0005839500000000, 0.0032436000000000, 0.0019798900000000 ] - [ -0.0106308800000000, -0.0101082500000000, 0.0023668600000000 ] - [ 0.0068201300000000, -0.0077232900000000, 0.0141859600000000 ] - [ -0.0352771800000000, 0.2697370400000000, -0.0658995400000000 ] - [ -0.0011912400000000, 0.0103700300000000, 0.0024195300000000 ] - [ -0.0005073500000000, 0.0036616900000000, 0.0139019600000000 ] - [ 0.0079269300000000, -0.0009961200000000, 0.0035812600000000 ] - [ 0.0003295500000000, 0.0041400100000000, 0.0006104500000000 ] - [ 0.0001635500000000, 0.0015581700000000, 0.0000035500000000 ] - [ -0.0022725500000000, -0.0194263700000000, 0.0030378600000000 ] - [ -0.0015870300000000, -0.0004388400000000, -0.0040288100000000 ] - [ -0.0001488100000000, -0.0009240000000000, 0.0001826600000000 ] - [ -0.0013851500000000, -0.0045697300000000, 0.0011175400000000 ] - [ -0.0003151200000000, -0.0018165600000000, 0.0005048300000000 ] - [ -0.0001959600000000, -0.0017208300000000, 0.0004129500000000 ] - [ 0.0001927300000000, -0.0024022800000000, -0.0000500800000000 ] - [ -0.0003915000000000, -0.0024837200000000, -0.0006006700000000 ] - [ -0.0001370000000000, -0.0020262400000000, 0.0000611400000000 ] - [ -0.0005409100000000, -0.0018453700000000, -0.0001865900000000 ] - [ -0.0001671600000000, -0.0029170400000000, -0.0001105900000000 ] - [ 0.0000214800000000, -0.0022659800000000, -0.0003793600000000 ] - [ 0.0000303500000000, -0.0023456300000000, 0.0003275400000000 ] - [ 0.0009295800000000, -0.0024822800000000, -0.0000145100000000 ] - [ 0.0010375900000000, -0.0026284800000000, 0.0000783300000000 ] - [ -0.0003055100000000, -0.0024807700000000, 0.0000592200000000 ] - [ 0.0001299900000000, -0.0029567000000000, -0.0005769500000000 ] - [ 0.0001270200000000, -0.0028966500000000, 0.0005751600000000 ] - [ 0.0004091800000000, -0.0018727800000000, 0.0000230500000000 ] - [ -0.0003807800000000, -0.0023688600000000, 0.0001976100000000 ] - [ -0.0003712300000000, -0.0022640000000000, -0.0002140600000000 ] - [ 0.0003306800000000, -0.0029866100000000, -0.0002348300000000 ] - [ 0.0003624600000000, -0.0030471900000000, 0.0002127900000000 ] - [ 0.0009101800000000, -0.0020339000000000, -0.0001109000000000 ] - [ 0.0003771300000000, -0.0037692000000000, -0.0005380200000000 ] - [ 0.0005651700000000, -0.0031189900000000, 0.0006611500000000 ] - [ 0.0003117500000000, -0.0018941200000000, 0.0011246500000000 ] - [ 0.0006918500000000, -0.0013515200000000, 0.0010833700000000 ] - [ -0.0012205600000000, -0.0041053500000000, 0.0005406600000000 ] - [ 0.0003574400000000, -0.0005829000000000, -0.0003132400000000 ] - [ -0.0001801700000000, -0.0022205600000000, -0.0007776000000000 ] - [ 0.0014704000000000, -0.0021461400000000, -0.0027685200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026411000000000, -0.0030876500000000, -0.0065412300000000 ] - [ 0.0043839000000000, -0.0023875500000000, 0.0039262900000000 ] - [ 0.0000147800000000, 0.0013538400000000, -0.0009685700000000 ] - [ -0.0000567500000000, -0.0001498200000000, 0.0006267900000000 ] - [ -0.0000688100000000, 0.0007987700000000, 0.0000108500000000 ] - [ -0.0000643200000000, 0.0007267100000000, -0.0000114500000000 ] - [ -0.0000436800000000, 0.0006080400000000, 0.0001052800000000 ] - [ 0.0000143400000000, 0.0001520700000000, -0.0000939300000000 ] - [ -0.0004643800000000, -0.0014306900000000, -0.0021274100000000 ] - [ -0.0000876600000000, 0.0004192300000000, -0.0037635400000000 ] - [ -0.0027374200000000, 0.0035097600000000, 0.0010690800000000 ] - [ 0.0023213600000000, -0.0010451000000000, 0.0034881200000000 ] - [ 0.0001874200000000, 0.0025007400000000, -0.0054908800000000 ] - [ 0.0007462600000000, 0.0008636900000000, 0.0134030400000000 ] - [ 0.0235314400000000, -0.0511362100000000, 0.0487919100000000 ] - [ -0.0005225500000000, -0.0042932100000000, -0.0109779200000000 ] - [ -0.0004121800000000, -0.0014714000000000, -0.0007342400000000 ] - [ -0.0001564900000000, 0.0016170400000000, 0.0030985900000000 ] - [ -0.0005486300000000, 0.0003337200000000, -0.0003102500000000 ] - [ -0.0005097600000000, 0.0010264100000000, 0.0001905000000000 ] - [ 0.0000689100000000, 0.0006690900000000, -0.0000874600000000 ] - [ 0.0000153800000000, 0.0004515600000000, 0.0007084300000000 ] - [ 0.0000460100000000, 0.0005420000000000, -0.0006211800000000 ] - [ -0.0000846700000000, 0.0004605200000000, 0.0000730300000000 ] - [ 0.0004550900000000, 0.0005228200000000, 0.0000923300000000 ] - [ 0.0004649400000000, 0.0004998400000000, -0.0001101400000000 ] - [ 0.0007149600000000, 0.0005304900000000, -0.0002093800000000 ] - [ 0.0007086100000000, 0.0005201800000000, 0.0002220400000000 ] - [ 0.0006010300000000, 0.0007086800000000, -0.0000032700000000 ] - [ 0.0006221300000000, 0.0006505300000000, -0.0000523300000000 ] - [ 0.0009836500000000, 0.0012340500000000, -0.0005953800000000 ] - [ 0.0006572400000000, 0.0006730000000000, 0.0009210400000000 ] - [ -0.0003677400000000, 0.0014941500000000, 0.0011466000000000 ] - [ 0.0004158800000000, -0.0002483700000000, 0.0029282000000000 ] - [ -0.0040316600000000, 0.0083182600000000, 0.0002144600000000 ] - [ -0.0006119300000000, -0.0018943200000000, 0.0017384100000000 ] - [ -0.0017985000000000, -0.0027089200000000, -0.0051903600000000 ] - [ 0.0046969900000000, -0.0105935000000000, 0.0049391800000000 ] - [ -0.0377847700000000, 0.0664691400000000, -0.0798636500000000 ] - [ -0.0008547100000000, 0.0027424900000000, 0.0121924200000000 ] - [ 0.0009329700000000, -0.0044769400000000, 0.0188297800000000 ] - [ 0.0033460800000000, -0.0032286800000000, -0.0046445300000000 ] - [ 0.0006567500000000, 0.0021732400000000, 0.0039356600000000 ] - [ -0.0003608600000000, -0.0000309200000000, 0.0021624300000000 ] - [ -0.0000931400000000, -0.0037624100000000, -0.0022713300000000 ] - [ -0.0008422200000000, 0.0008894300000000, -0.0012932000000000 ] - [ -0.0002481300000000, -0.0001340000000000, 0.0003396600000000 ] - [ -0.0004313200000000, -0.0014434100000000, 0.0000295000000000 ] - [ -0.0000387600000000, -0.0001314300000000, 0.0001691100000000 ] - [ -0.0004490200000000, -0.0000814400000000, 0.0002409700000000 ] - [ -0.0003178300000000, -0.0002937700000000, -0.0001475300000000 ] - [ -0.0002531700000000, -0.0004148200000000, -0.0002147500000000 ] - [ -0.0001684500000000, -0.0002580400000000, 0.0000516900000000 ] - [ -0.0001903300000000, 0.0002665800000000, -0.0000491000000000 ] - [ 0.0000859700000000, -0.0009282200000000, -0.0000306700000000 ] - [ 0.0001692000000000, -0.0003819800000000, -0.0000109700000000 ] - [ 0.0001626300000000, -0.0004111100000000, 0.0000175400000000 ] - [ 0.0005186800000000, -0.0006359800000000, 0.0001067400000000 ] - [ 0.0005737600000000, -0.0006832500000000, -0.0000910600000000 ] - [ -0.0000080900000000, -0.0006790500000000, -0.0000021600000000 ] - [ 0.0003135900000000, -0.0002578000000000, -0.0001185700000000 ] - [ 0.0003128600000000, -0.0002728200000000, 0.0001191000000000 ] - [ 0.0006204600000000, -0.0002409600000000, -0.0000021400000000 ] - [ -0.0000740800000000, -0.0000911000000000, -0.0000006500000000 ] - [ -0.0000799100000000, -0.0001125100000000, 0.0000031800000000 ] - [ 0.0000567300000000, -0.0008214400000000, 0.0000194100000000 ] - [ 0.0000441800000000, -0.0008034900000000, -0.0000190400000000 ] - [ 0.0006655600000000, -0.0003512400000000, 0.0000270600000000 ] - [ 0.0003487200000000, -0.0008454000000000, -0.0002390500000000 ] - [ 0.0003149900000000, -0.0009700600000000, 0.0002092900000000 ] - [ -0.0000503300000000, -0.0006352200000000, -0.0002394900000000 ] - [ 0.0003046100000000, -0.0013238100000000, 0.0009293100000000 ] - [ 0.0001181800000000, -0.0004218000000000, -0.0012846500000000 ] - [ 0.0001674600000000, -0.0000436100000000, 0.0008477100000000 ] - [ 0.0006715700000000, 0.0003193100000000, -0.0007062500000000 ] - [ 0.0001358500000000, 0.0015681300000000, 0.0011929900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025073000000000, 0.0034113300000000, 0.0065335400000000 ] - [ -0.0041441300000000, 0.0027742100000000, -0.0037584500000000 ] - [ 0.0000867700000000, -0.0017354600000000, 0.0009615200000000 ] - [ 0.0002078600000000, -0.0001447600000000, -0.0006201400000000 ] - [ -0.0000825400000000, -0.0005178200000000, -0.0000083000000000 ] - [ -0.0000341600000000, -0.0003682100000000, 0.0000086800000000 ] - [ -0.0000553400000000, -0.0009796500000000, -0.0001031200000000 ] - [ -0.0001656800000000, -0.0004459500000000, 0.0000904300000000 ] - [ 0.0004497600000000, 0.0014344300000000, 0.0021016700000000 ] - [ 0.0000858500000000, -0.0004063400000000, 0.0022906300000000 ] - [ 0.0027304900000000, -0.0035170700000000, -0.0010320300000000 ] - [ -0.0023093300000000, 0.0010306300000000, -0.0020478900000000 ] - [ -0.0011996900000000, -0.0026148100000000, 0.0057464900000000 ] - [ -0.0017029900000000, -0.0004281800000000, -0.0135934400000000 ] - [ -0.0257897200000000, 0.0531025000000000, -0.0497652500000000 ] - [ -0.0008034400000000, 0.0041392800000000, 0.0113410800000000 ] - [ -0.0009244400000000, 0.0016041000000000, 0.0004085800000000 ] - [ -0.0011776600000000, -0.0014555700000000, -0.0027543400000000 ] - [ -0.0004556500000000, -0.0001819700000000, 0.0000582800000000 ] - [ -0.0004963700000000, -0.0008679700000000, 0.0000608000000000 ] - [ -0.0000717600000000, -0.0006771200000000, 0.0000862600000000 ] - [ -0.0000208600000000, -0.0004591800000000, 0.0007557200000000 ] - [ -0.0000441900000000, -0.0005476900000000, -0.0008421700000000 ] - [ 0.0000868700000000, -0.0004673100000000, -0.0000708200000000 ] - [ 0.0005519800000000, -0.0006852100000000, 0.0001584700000000 ] - [ 0.0005421600000000, -0.0006698400000000, -0.0001407400000000 ] - [ 0.0006189200000000, -0.0006847100000000, -0.0001235400000000 ] - [ 0.0006221000000000, -0.0006719300000000, 0.0001077000000000 ] - [ 0.0007317600000000, -0.0005659400000000, 0.0003349700000000 ] - [ 0.0007122100000000, -0.0005108100000000, -0.0002804200000000 ] - [ 0.0000233300000000, -0.0010732200000000, 0.0008511200000000 ] - [ 0.0003431700000000, -0.0005253700000000, -0.0011699200000000 ] - [ 0.0000581300000000, -0.0026149100000000, -0.0011373000000000 ] - [ -0.0007903700000000, 0.0001749600000000, -0.0029650000000000 ] - [ 0.0036497500000000, -0.0083681500000000, -0.0001018000000000 ] - [ -0.0003131300000000, 0.0013499300000000, -0.0019578900000000 ] - [ 0.0009265400000000, 0.0022409000000000, 0.0053744000000000 ] - [ -0.0047444500000000, 0.0099081800000000, -0.0049435100000000 ] - [ 0.0378125800000000, -0.0687185000000000, 0.0803418400000000 ] - [ 0.0001610100000000, -0.0021840500000000, -0.0121468500000000 ] - [ -0.0022829600000000, 0.0047713200000000, -0.0190284400000000 ] - [ -0.0033387400000000, 0.0039541700000000, 0.0047377200000000 ] - [ -0.0006283100000000, -0.0014452000000000, -0.0040018500000000 ] - [ 0.0004075200000000, -0.0006707800000000, -0.0021300100000000 ] - [ 0.0001496300000000, 0.0030694600000000, 0.0022374500000000 ] - [ -0.0004853600000000, -0.0010986200000000, 0.0012689200000000 ] - [ -0.0004515800000000, -0.0004451400000000, -0.0003028500000000 ] - [ -0.0002753900000000, 0.0008393100000000, -0.0000561100000000 ] - [ -0.0000363700000000, 0.0007450900000000, -0.0001687700000000 ] - [ -0.0004892000000000, 0.0006277500000000, -0.0000245200000000 ] - [ -0.0006148800000000, 0.0008284400000000, -0.0000782800000000 ] - [ -0.0001235200000000, 0.0004713800000000, 0.0001893500000000 ] - [ -0.0001989400000000, 0.0003247600000000, -0.0000265000000000 ] - [ -0.0001149500000000, 0.0008298700000000, 0.0000594700000000 ] - [ 0.0002222500000000, -0.0001561300000000, 0.0000416000000000 ] - [ 0.0002255600000000, 0.0003429000000000, 0.0000812600000000 ] - [ 0.0002112800000000, 0.0003622700000000, -0.0000394700000000 ] - [ 0.0003651400000000, 0.0001172100000000, 0.0001063700000000 ] - [ 0.0003598700000000, 0.0001554800000000, -0.0001367700000000 ] - [ 0.0001070600000000, 0.0000864100000000, -0.0000448700000000 ] - [ 0.0003899100000000, 0.0008576800000000, 0.0000866700000000 ] - [ 0.0003905100000000, 0.0008170700000000, -0.0000822400000000 ] - [ 0.0007049800000000, 0.0004536300000000, -0.0000057300000000 ] - [ 0.0000283300000000, 0.0008205700000000, -0.0000488300000000 ] - [ 0.0000487200000000, 0.0008512500000000, 0.0000509500000000 ] - [ -0.0001099000000000, 0.0001057900000000, -0.0000662600000000 ] - [ -0.0000845900000000, 0.0000791400000000, 0.0000696600000000 ] - [ 0.0006615800000000, 0.0001431200000000, -0.0000357000000000 ] - [ 0.0003567600000000, 0.0002890700000000, 0.0002711800000000 ] - [ 0.0003909300000000, 0.0003874600000000, -0.0002400200000000 ] - [ 0.0001457300000000, 0.0012376300000000, 0.0002180500000000 ] - [ 0.0006137000000000, 0.0018475800000000, -0.0011426600000000 ] - [ 0.0007960000000000, 0.0009579300000000, 0.0014928900000000 ] - [ 0.0002099300000000, 0.0000922400000000, -0.0008882000000000 ] - [ -0.0002842200000000, -0.0002659200000000, 0.0007671600000000 ] - [ 0.0001654400000000, -0.0004668900000000, -0.0011799300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0084818600000000, -0.0069046500000000, 0.0000000000000000 ] - [ -0.0002106800000000, -0.0018057600000000, 0.0000000000000000 ] - [ 0.0022353400000000, -0.0006961100000000, 0.0000000000000000 ] - [ 0.0003288500000000, 0.0000313000000000, 0.0000000000000000 ] - [ -0.0000724900000000, 0.0004527400000000, 0.0000000000000000 ] - [ -0.0000575400000000, 0.0004439200000000, 0.0000000000000000 ] - [ -0.0000392200000000, 0.0000308700000000, 0.0000000000000000 ] - [ -0.0000679700000000, 0.0002307900000000, 0.0000000000000000 ] - [ -0.0006356700000000, 0.0003623000000000, 0.0000000000000000 ] - [ 0.0002332800000000, 0.0003753600000000, 0.0000380600000000 ] - [ -0.0000134400000000, -0.0001654300000000, 0.0000000000000000 ] - [ 0.0002332800000000, 0.0003753600000000, -0.0000380600000000 ] - [ -0.0004133600000000, -0.0002508200000000, 0.0003797100000000 ] - [ -0.0004133600000000, -0.0002508200000000, -0.0003797100000000 ] - [ 0.0094838200000000, -0.0033968300000000, -0.0121156900000000 ] - [ 0.0094838200000000, -0.0033968300000000, 0.0121156900000000 ] - [ -0.0031201200000000, 0.0026189000000000, 0.0007323100000000 ] - [ -0.0031201200000000, 0.0026189000000000, -0.0007323100000000 ] - [ -0.0004543500000000, 0.0006032800000000, -0.0000988000000000 ] - [ -0.0004543500000000, 0.0006032800000000, 0.0000988000000000 ] - [ 0.0000143100000000, 0.0002734100000000, 0.0000000000000000 ] - [ 0.0000129700000000, 0.0002254900000000, 0.0007200200000000 ] - [ 0.0000129700000000, 0.0002254900000000, -0.0007200200000000 ] - [ -0.0000300700000000, 0.0002331200000000, 0.0000000000000000 ] - [ 0.0004783100000000, 0.0001909600000000, 0.0000998100000000 ] - [ 0.0004783100000000, 0.0001909600000000, -0.0000998100000000 ] - [ 0.0006884800000000, 0.0002028700000000, -0.0001778200000000 ] - [ 0.0006884800000000, 0.0002028700000000, 0.0001778200000000 ] - [ 0.0006489700000000, 0.0003478700000000, 0.0001615900000000 ] - [ 0.0006489700000000, 0.0003478700000000, -0.0001615900000000 ] - [ 0.0004351900000000, 0.0002662000000000, 0.0003171800000000 ] - [ 0.0004351900000000, 0.0002662000000000, -0.0003171800000000 ] - [ 0.0016561900000000, -0.0036153400000000, 0.0000000000000000 ] - [ -0.0003013600000000, 0.0000696900000000, -0.0002701300000000 ] - [ -0.0003013600000000, 0.0000696900000000, 0.0002701300000000 ] - [ -0.0005234100000000, 0.0000952300000000, -0.0004358500000000 ] - [ -0.0005234100000000, 0.0000952300000000, 0.0004358500000000 ] - [ 0.0002440900000000, -0.0000670600000000, 0.0000000000000000 ] - [ -0.0017549900000000, 0.0001384100000000, 0.0016296900000000 ] - [ -0.0017549900000000, 0.0001384100000000, -0.0016296900000000 ] - [ -0.0413942700000000, 0.0163301000000000, 0.0000000000000000 ] - [ 0.0085623800000000, -0.0014334000000000, -0.0077986200000000 ] - [ 0.0085623800000000, -0.0014334000000000, 0.0077986200000000 ] - [ -0.0008022100000000, 0.0012149100000000, -0.0027001800000000 ] - [ -0.0008022100000000, 0.0012149100000000, 0.0027001800000000 ] - [ -0.0004523500000000, -0.0011700900000000, 0.0000000000000000 ] - [ -0.0001756100000000, -0.0012186300000000, -0.0001591600000000 ] - [ -0.0001756100000000, -0.0012186300000000, 0.0001591600000000 ] - [ -0.0002838600000000, 0.0002197600000000, 0.0000000000000000 ] - [ -0.0003702000000000, 0.0000396800000000, 0.0001332400000000 ] - [ -0.0003702000000000, 0.0000396800000000, -0.0001332400000000 ] - [ -0.0002726800000000, -0.0001404500000000, -0.0000876700000000 ] - [ -0.0002726800000000, -0.0001404500000000, 0.0000876700000000 ] - [ -0.0001474700000000, 0.0003798200000000, 0.0000000000000000 ] - [ 0.0001347000000000, -0.0007418100000000, 0.0000000000000000 ] - [ 0.0001717400000000, -0.0001941100000000, -0.0000058800000000 ] - [ 0.0001717400000000, -0.0001941100000000, 0.0000058800000000 ] - [ 0.0005104100000000, -0.0004472900000000, 0.0001016600000000 ] - [ 0.0005104100000000, -0.0004472900000000, -0.0001016600000000 ] - [ 0.0000134500000000, -0.0004519800000000, 0.0000000000000000 ] - [ 0.0003325800000000, 0.0000206200000000, -0.0000647300000000 ] - [ 0.0003325800000000, 0.0000206200000000, 0.0000647300000000 ] - [ 0.0006392500000000, -0.0000522500000000, 0.0000000000000000 ] - [ -0.0000491500000000, 0.0001463700000000, -0.0000049100000000 ] - [ -0.0000491500000000, 0.0001463700000000, 0.0000049100000000 ] - [ 0.0000118500000000, -0.0005697800000000, -0.0000565100000000 ] - [ 0.0000118500000000, -0.0005697800000000, 0.0000565100000000 ] - [ 0.0006812600000000, -0.0002677500000000, 0.0000000000000000 ] - [ 0.0003841900000000, -0.0005353600000000, 0.0000202000000000 ] - [ 0.0003841900000000, -0.0005353600000000, -0.0000202000000000 ] - [ 0.0000441500000000, 0.0002617600000000, 0.0000000000000000 ] - [ 0.0004744500000000, 0.0002193400000000, -0.0002222800000000 ] - [ 0.0004744500000000, 0.0002193400000000, 0.0002222800000000 ] - [ 0.0002699300000000, -0.0003858300000000, -0.0004154900000000 ] - [ 0.0002699300000000, -0.0003858300000000, 0.0004154900000000 ] - [ 0.0000093400000000, 0.0002830000000000, 0.0000000000000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0078484400000000, 0.0068204600000000, 0.0000000000000000 ] - [ 0.0003119000000000, 0.0021534800000000, 0.0000000000000000 ] - [ -0.0021409100000000, 0.0003590700000000, 0.0000000000000000 ] - [ -0.0001818800000000, -0.0003062200000000, 0.0000000000000000 ] - [ -0.0000798800000000, -0.0001516700000000, 0.0000000000000000 ] - [ -0.0000413400000000, -0.0000682200000000, 0.0000000000000000 ] - [ -0.0000573400000000, -0.0003902400000000, 0.0000000000000000 ] - [ -0.0000832500000000, -0.0005051400000000, 0.0000000000000000 ] - [ 0.0006281400000000, -0.0003457500000000, 0.0000000000000000 ] - [ -0.0002334500000000, -0.0003600200000000, -0.0014860500000000 ] - [ 0.0000163400000000, 0.0001629600000000, 0.0000000000000000 ] - [ -0.0002334500000000, -0.0003600200000000, 0.0014860500000000 ] - [ -0.0005862200000000, 0.0000610600000000, -0.0001129300000000 ] - [ -0.0005862200000000, 0.0000610600000000, 0.0001129300000000 ] - [ -0.0105663700000000, 0.0031452500000000, 0.0115150700000000 ] - [ -0.0105663700000000, 0.0031452500000000, -0.0115150700000000 ] - [ 0.0018171400000000, -0.0024978700000000, -0.0010453800000000 ] - [ 0.0018171400000000, -0.0024978700000000, 0.0010453800000000 ] - [ -0.0005471500000000, -0.0004464500000000, -0.0001498900000000 ] - [ -0.0005471500000000, -0.0004464500000000, 0.0001498900000000 ] - [ -0.0000157900000000, -0.0002642200000000, 0.0000000000000000 ] - [ -0.0000144700000000, -0.0002178900000000, 0.0007443400000000 ] - [ -0.0000144700000000, -0.0002178900000000, -0.0007443400000000 ] - [ 0.0000313500000000, -0.0002265900000000, 0.0000000000000000 ] - [ 0.0005235500000000, -0.0003318200000000, 0.0001466700000000 ] - [ 0.0005235500000000, -0.0003318200000000, -0.0001466700000000 ] - [ 0.0006472300000000, -0.0003351500000000, -0.0001545000000000 ] - [ 0.0006472300000000, -0.0003351500000000, 0.0001545000000000 ] - [ 0.0006861900000000, -0.0001972600000000, 0.0001729800000000 ] - [ 0.0006861900000000, -0.0001972600000000, -0.0001729800000000 ] - [ 0.0005650200000000, -0.0001054100000000, -0.0000632400000000 ] - [ 0.0005650200000000, -0.0001054100000000, 0.0000632400000000 ] - [ -0.0019483200000000, 0.0024395700000000, 0.0000000000000000 ] - [ -0.0000768300000000, -0.0001351900000000, 0.0002100700000000 ] - [ -0.0000768300000000, -0.0001351900000000, -0.0002100700000000 ] - [ -0.0003992000000000, -0.0006181300000000, 0.0002077300000000 ] - [ -0.0003992000000000, -0.0006181300000000, -0.0002077300000000 ] - [ -0.0003379600000000, -0.0005002600000000, 0.0000000000000000 ] - [ 0.0010460000000000, 0.0004403900000000, -0.0015803300000000 ] - [ 0.0010460000000000, 0.0004403900000000, 0.0015803300000000 ] - [ 0.0390917500000000, -0.0154885400000000, 0.0000000000000000 ] - [ -0.0085158800000000, 0.0021766300000000, 0.0079468400000000 ] - [ -0.0085158800000000, 0.0021766300000000, -0.0079468400000000 ] - [ 0.0008069300000000, -0.0019414100000000, 0.0027835700000000 ] - [ 0.0008069300000000, -0.0019414100000000, -0.0027835700000000 ] - [ -0.0008736300000000, 0.0009792900000000, 0.0000000000000000 ] - [ -0.0005186600000000, 0.0006629800000000, 0.0002069000000000 ] - [ -0.0005186600000000, 0.0006629800000000, -0.0002069000000000 ] - [ 0.0002074000000000, 0.0003586700000000, 0.0000000000000000 ] - [ -0.0005705400000000, 0.0004846900000000, 0.0000977600000000 ] - [ -0.0005705400000000, 0.0004846900000000, -0.0000977600000000 ] - [ -0.0000886900000000, 0.0001872200000000, 0.0000678700000000 ] - [ -0.0000886900000000, 0.0001872200000000, -0.0000678700000000 ] - [ -0.0001764800000000, 0.0007146400000000, 0.0000000000000000 ] - [ 0.0001867600000000, -0.0003643500000000, 0.0000000000000000 ] - [ 0.0001990800000000, 0.0001417500000000, 0.0000401400000000 ] - [ 0.0001990800000000, 0.0001417500000000, -0.0000401400000000 ] - [ 0.0004144000000000, -0.0000843900000000, 0.0001269300000000 ] - [ 0.0004144000000000, -0.0000843900000000, -0.0001269300000000 ] - [ 0.0000790900000000, -0.0001324200000000, 0.0000000000000000 ] - [ 0.0003598000000000, 0.0005144200000000, 0.0000118600000000 ] - [ 0.0003598000000000, 0.0005144200000000, -0.0000118600000000 ] - [ 0.0006755000000000, 0.0002452300000000, 0.0000000000000000 ] - [ 0.0000136800000000, 0.0005513700000000, -0.0000427700000000 ] - [ 0.0000136800000000, 0.0005513700000000, 0.0000427700000000 ] - [ -0.0000416600000000, -0.0001474100000000, 0.0000053800000000 ] - [ -0.0000416600000000, -0.0001474100000000, -0.0000053800000000 ] - [ 0.0006340900000000, 0.0000638600000000, 0.0000000000000000 ] - [ 0.0003088200000000, -0.0000220700000000, 0.0000321700000000 ] - [ 0.0003088200000000, -0.0000220700000000, -0.0000321700000000 ] - [ 0.0000451000000000, 0.0003171500000000, 0.0000000000000000 ] - [ 0.0004562400000000, 0.0003059800000000, -0.0000003900000000 ] - [ 0.0004562400000000, 0.0003059800000000, 0.0000003900000000 ] - [ 0.0000946500000000, 0.0004248300000000, 0.0003735600000000 ] - [ 0.0000946500000000, 0.0004248300000000, -0.0003735600000000 ] - [ 0.0003186100000000, 0.0008170300000000, 0.0000000000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0079357400000000, 0.0102701300000000, 0.0000000000000000 ] - [ 0.0006505200000000, 0.0048066800000000, 0.0000000000000000 ] - [ 0.0005304200000000, -0.0074059500000000, 0.0000000000000000 ] - [ 0.0004767700000000, -0.0012297300000000, 0.0000000000000000 ] - [ -0.0000853200000000, -0.0022219100000000, 0.0000000000000000 ] - [ 0.0000157100000000, -0.0018545500000000, 0.0000000000000000 ] - [ -0.0001045900000000, -0.0021063600000000, 0.0000000000000000 ] - [ -0.0000277500000000, -0.0027260300000000, 0.0000000000000000 ] - [ 0.0004918200000000, -0.0032083200000000, 0.0000000000000000 ] - [ 0.0001148000000000, -0.0022309000000000, -0.0025904400000000 ] - [ 0.0000150500000000, -0.0009641300000000, 0.0000000000000000 ] - [ 0.0001148000000000, -0.0022309000000000, 0.0025904400000000 ] - [ -0.0007040400000000, -0.0002905000000000, -0.0022095000000000 ] - [ -0.0007040400000000, -0.0002905000000000, 0.0022095000000000 ] - [ -0.0035891700000000, 0.0184963600000000, 0.0144933000000000 ] - [ -0.0035891700000000, 0.0184963600000000, -0.0144933000000000 ] - [ -0.0037197800000000, 0.0034630900000000, 0.0010392100000000 ] - [ -0.0037197800000000, 0.0034630900000000, -0.0010392100000000 ] - [ -0.0004537800000000, -0.0014772900000000, 0.0004012800000000 ] - [ -0.0004537800000000, -0.0014772900000000, -0.0004012800000000 ] - [ -0.0002203100000000, -0.0025393400000000, 0.0000000000000000 ] - [ -0.0000212700000000, -0.0018086600000000, 0.0010117800000000 ] - [ -0.0000212700000000, -0.0018086600000000, -0.0010117800000000 ] - [ 0.0002250300000000, -0.0016445000000000, 0.0000000000000000 ] - [ 0.0006394600000000, -0.0022293600000000, 0.0002046000000000 ] - [ 0.0006394600000000, -0.0022293600000000, -0.0002046000000000 ] - [ 0.0005150100000000, -0.0022261300000000, -0.0000492300000000 ] - [ 0.0005150100000000, -0.0022261300000000, 0.0000492300000000 ] - [ 0.0008150300000000, -0.0020800700000000, 0.0002354600000000 ] - [ 0.0008150300000000, -0.0020800700000000, -0.0002354600000000 ] - [ 0.0004405700000000, -0.0019037000000000, -0.0004612300000000 ] - [ 0.0004405700000000, -0.0019037000000000, 0.0004612300000000 ] - [ 0.0003222500000000, 0.0043819000000000, 0.0000000000000000 ] - [ -0.0004677900000000, 0.0016567600000000, 0.0015177200000000 ] - [ -0.0004677900000000, 0.0016567600000000, -0.0015177200000000 ] - [ -0.0003908400000000, -0.0003754900000000, 0.0008992100000000 ] - [ -0.0003908400000000, -0.0003754900000000, -0.0008992100000000 ] - [ -0.0004533900000000, -0.0005976400000000, 0.0000000000000000 ] - [ -0.0006453300000000, -0.0032910300000000, -0.0045898300000000 ] - [ -0.0006453300000000, -0.0032910300000000, 0.0045898300000000 ] - [ 0.0150768900000000, -0.0331893000000000, 0.0000000000000000 ] - [ -0.0010205600000000, -0.0072280800000000, 0.0011028600000000 ] - [ -0.0010205600000000, -0.0072280800000000, -0.0011028600000000 ] - [ 0.0024446900000000, 0.0004678500000000, -0.0076889800000000 ] - [ 0.0024446900000000, 0.0004678500000000, 0.0076889800000000 ] - [ 0.0004096100000000, -0.0016370300000000, 0.0000000000000000 ] - [ -0.0004940500000000, 0.0000353500000000, -0.0009915400000000 ] - [ -0.0004940500000000, 0.0000353500000000, 0.0009915400000000 ] - [ -0.0005434800000000, 0.0019651100000000, 0.0000000000000000 ] - [ -0.0005822100000000, 0.0020017500000000, -0.0004323100000000 ] - [ -0.0005822100000000, 0.0020017500000000, 0.0004323100000000 ] - [ -0.0001390900000000, 0.0012134400000000, 0.0003095200000000 ] - [ -0.0001390900000000, 0.0012134400000000, -0.0003095200000000 ] - [ -0.0000012300000000, 0.0016575100000000, 0.0000000000000000 ] - [ 0.0003815000000000, 0.0008017600000000, 0.0000000000000000 ] - [ 0.0003077400000000, 0.0013504000000000, 0.0001482000000000 ] - [ 0.0003077400000000, 0.0013504000000000, -0.0001482000000000 ] - [ 0.0001197300000000, 0.0011657700000000, 0.0001538400000000 ] - [ 0.0001197300000000, 0.0011657700000000, -0.0001538400000000 ] - [ 0.0002470400000000, 0.0011184500000000, 0.0000000000000000 ] - [ 0.0004821300000000, 0.0022573200000000, 0.0003267200000000 ] - [ 0.0004821300000000, 0.0022573200000000, -0.0003267200000000 ] - [ 0.0008101700000000, 0.0013035300000000, 0.0000000000000000 ] - [ 0.0002125200000000, 0.0020137900000000, -0.0001707200000000 ] - [ 0.0002125200000000, 0.0020137900000000, 0.0001707200000000 ] - [ -0.0002541900000000, 0.0012754000000000, 0.0001545200000000 ] - [ -0.0002541900000000, 0.0012754000000000, -0.0001545200000000 ] - [ 0.0004995500000000, 0.0011418700000000, 0.0000000000000000 ] - [ 0.0001940200000000, 0.0016360500000000, 0.0002632000000000 ] - [ 0.0001940200000000, 0.0016360500000000, -0.0002632000000000 ] - [ -0.0001370400000000, 0.0012997300000000, 0.0000000000000000 ] - [ 0.0006159700000000, 0.0014036300000000, 0.0003846100000000 ] - [ 0.0006159700000000, 0.0014036300000000, -0.0003846100000000 ] - [ 0.0000301300000000, 0.0017303600000000, 0.0007945000000000 ] - [ 0.0000301300000000, 0.0017303600000000, -0.0007945000000000 ] - [ 0.0004571000000000, 0.0025259200000000, 0.0000000000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0082652800000000, -0.0101072700000000, 0.0000000000000000 ] - [ -0.0005502800000000, -0.0044416800000000, 0.0000000000000000 ] - [ -0.0004212600000000, 0.0070443500000000, 0.0000000000000000 ] - [ -0.0003244500000000, 0.0009534000000000, 0.0000000000000000 ] - [ -0.0000678300000000, 0.0025106000000000, 0.0000000000000000 ] - [ -0.0001163700000000, 0.0022271400000000, 0.0000000000000000 ] - [ 0.0000021900000000, 0.0017251400000000, 0.0000000000000000 ] - [ -0.0001269800000000, 0.0024271700000000, 0.0000000000000000 ] - [ -0.0004914700000000, 0.0032159000000000, 0.0000000000000000 ] - [ -0.0001167700000000, 0.0022304900000000, 0.0011326200000000 ] - [ -0.0000127500000000, 0.0009563400000000, 0.0000000000000000 ] - [ -0.0001167700000000, 0.0022304900000000, -0.0011326200000000 ] - [ -0.0002988100000000, 0.0001166300000000, 0.0024737800000000 ] - [ -0.0002988100000000, 0.0001166300000000, -0.0024737800000000 ] - [ 0.0023160200000000, -0.0189343000000000, -0.0150931100000000 ] - [ 0.0023160200000000, -0.0189343000000000, 0.0150931100000000 ] - [ 0.0023821000000000, -0.0032746000000000, -0.0013593400000000 ] - [ 0.0023821000000000, -0.0032746000000000, 0.0013593400000000 ] - [ -0.0005501600000000, 0.0016357900000000, -0.0006427900000000 ] - [ -0.0005501600000000, 0.0016357900000000, 0.0006427900000000 ] - [ 0.0002201300000000, 0.0025312500000000, 0.0000000000000000 ] - [ 0.0000235400000000, 0.0018080200000000, 0.0004553200000000 ] - [ 0.0000235400000000, 0.0018080200000000, -0.0004553200000000 ] - [ -0.0002260300000000, 0.0016453500000000, 0.0000000000000000 ] - [ 0.0003625300000000, 0.0020702700000000, 0.0000421900000000 ] - [ 0.0003625300000000, 0.0020702700000000, -0.0000421900000000 ] - [ 0.0008200800000000, 0.0020776300000000, -0.0002828900000000 ] - [ 0.0008200800000000, 0.0020776300000000, 0.0002828900000000 ] - [ 0.0005222300000000, 0.0022214200000000, 0.0000983100000000 ] - [ 0.0005222300000000, 0.0022214200000000, -0.0000983100000000 ] - [ 0.0005618800000000, 0.0020539300000000, 0.0007111800000000 ] - [ 0.0005618800000000, 0.0020539300000000, -0.0007111800000000 ] - [ -0.0006640800000000, -0.0054992500000000, 0.0000000000000000 ] - [ 0.0001014400000000, -0.0017123200000000, -0.0015573500000000 ] - [ 0.0001014400000000, -0.0017123200000000, 0.0015573500000000 ] - [ -0.0005385400000000, -0.0001445900000000, -0.0011235700000000 ] - [ -0.0005385400000000, -0.0001445900000000, 0.0011235700000000 ] - [ 0.0003684200000000, 0.0000177000000000, 0.0000000000000000 ] - [ -0.0000490400000000, 0.0038720400000000, 0.0046601200000000 ] - [ -0.0000490400000000, 0.0038720400000000, -0.0046601200000000 ] - [ -0.0167374600000000, 0.0341179800000000, 0.0000000000000000 ] - [ 0.0010772200000000, 0.0079369000000000, -0.0010799500000000 ] - [ 0.0010772200000000, 0.0079369000000000, 0.0010799500000000 ] - [ -0.0023884200000000, -0.0012097800000000, 0.0076817400000000 ] - [ -0.0023884200000000, -0.0012097800000000, -0.0076817400000000 ] - [ -0.0017326000000000, 0.0014104000000000, 0.0000000000000000 ] - [ -0.0002171200000000, -0.0006218700000000, 0.0010079100000000 ] - [ -0.0002171200000000, -0.0006218700000000, -0.0010079100000000 ] - [ 0.0004491800000000, -0.0013651600000000, 0.0000000000000000 ] - [ -0.0003443800000000, -0.0014660500000000, 0.0006459800000000 ] - [ -0.0003443800000000, -0.0014660500000000, -0.0006459800000000 ] - [ -0.0002314800000000, -0.0011638300000000, -0.0003431900000000 ] - [ -0.0002314800000000, -0.0011638300000000, 0.0003431900000000 ] - [ -0.0003251600000000, -0.0005533800000000, 0.0000000000000000 ] - [ -0.0000540000000000, -0.0019085800000000, 0.0000000000000000 ] - [ 0.0000596500000000, -0.0014031000000000, -0.0001201500000000 ] - [ 0.0000596500000000, -0.0014031000000000, 0.0001201500000000 ] - [ 0.0008149000000000, -0.0016936300000000, 0.0000673500000000 ] - [ 0.0008149000000000, -0.0016936300000000, -0.0000673500000000 ] - [ -0.0001682600000000, -0.0017090300000000, 0.0000000000000000 ] - [ 0.0002160500000000, -0.0016867500000000, -0.0003730500000000 ] - [ 0.0002160500000000, -0.0016867500000000, 0.0003730500000000 ] - [ 0.0005092400000000, -0.0010937400000000, 0.0000000000000000 ] - [ -0.0002433000000000, -0.0012754300000000, 0.0001188600000000 ] - [ -0.0002433000000000, -0.0012754300000000, -0.0001188600000000 ] - [ 0.0002043100000000, -0.0019929900000000, -0.0001992800000000 ] - [ 0.0002043100000000, -0.0019929900000000, 0.0001992800000000 ] - [ 0.0008235600000000, -0.0013516600000000, 0.0000000000000000 ] - [ 0.0005077700000000, -0.0022093500000000, -0.0002240500000000 ] - [ 0.0005077700000000, -0.0022093500000000, 0.0002240500000000 ] - [ 0.0002173400000000, -0.0007060000000000, 0.0000000000000000 ] - [ 0.0003187700000000, -0.0008742700000000, -0.0006064300000000 ] - [ 0.0003187700000000, -0.0008742700000000, 0.0006064300000000 ] - [ 0.0003376700000000, -0.0016753800000000, -0.0008253400000000 ] - [ 0.0003376700000000, -0.0016753800000000, 0.0008253400000000 ] - [ -0.0001326400000000, -0.0014166900000000, 0.0000000000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000195400000000, 0.0001659500000000, 0.0104917400000000 ] - [ 0.0000540400000000, 0.0001958700000000, -0.0120997800000000 ] - [ 0.0000520600000000, -0.0001645900000000, 0.0084493500000000 ] - [ 0.0000793200000000, -0.0001592200000000, -0.0050061500000000 ] - [ -0.0000767100000000, 0.0001497900000000, -0.0000364100000000 ] - [ -0.0000533300000000, 0.0001880900000000, 0.0000396800000000 ] - [ -0.0000537500000000, -0.0001898500000000, -0.0001290700000000 ] - [ -0.0000767000000000, -0.0001528200000000, 0.0001270700000000 ] - [ 0.0000053200000000, -0.0000072900000000, 0.0019275800000000 ] - [ 0.0004403600000000, -0.0010423600000000, 0.0002365700000000 ] - [ -0.0000023400000000, 0.0000066500000000, -0.0019258200000000 ] - [ -0.0004422100000000, 0.0010356200000000, 0.0017234000000000 ] - [ -0.0001062600000000, -0.0104747200000000, -0.0014558600000000 ] - [ -0.0009027300000000, 0.0103661000000000, -0.0016672600000000 ] - [ -0.0132505000000000, 0.0153708400000000, 0.1002176000000000 ] - [ 0.0108166800000000, -0.0142169400000000, 0.0935941900000000 ] - [ 0.0044504100000000, 0.0091474800000000, -0.0060676300000000 ] - [ -0.0058026400000000, -0.0090141100000000, -0.0057120200000000 ] - [ -0.0003525200000000, 0.0024728200000000, 0.0002731200000000 ] - [ -0.0006526100000000, -0.0023237000000000, 0.0005247400000000 ] - [ 0.0000002900000000, 0.0000008000000000, 0.0005578800000000 ] - [ 0.0000667200000000, 0.0002782200000000, 0.0004578900000000 ] - [ -0.0000672300000000, -0.0002807000000000, -0.0010023900000000 ] - [ -0.0000005900000000, -0.0000016000000000, -0.0004080000000000 ] - [ 0.0005311200000000, -0.0001411700000000, 0.0001746100000000 ] - [ 0.0004739300000000, -0.0000103200000000, -0.0000729400000000 ] - [ 0.0006672000000000, -0.0000726000000000, -0.0001862800000000 ] - [ 0.0006670800000000, -0.0000709100000000, 0.0001510200000000 ] - [ 0.0006832100000000, 0.0000278500000000, 0.0002143300000000 ] - [ 0.0006502900000000, 0.0001120500000000, -0.0001227600000000 ] - [ 0.0003934400000000, -0.0002215000000000, -0.0001097600000000 ] - [ 0.0006134700000000, 0.0003711200000000, -0.0003520500000000 ] - [ -0.0001758000000000, -0.0005329400000000, -0.0012165900000000 ] - [ -0.0012415600000000, 0.0021260900000000, -0.0016523500000000 ] - [ 0.0008859100000000, -0.0021740300000000, -0.0016509700000000 ] - [ 0.0010497700000000, 0.0019181600000000, 0.0008551700000000 ] - [ -0.0019826700000000, -0.0024606200000000, 0.0010644000000000 ] - [ -0.0000378600000000, -0.0003004800000000, 0.0042109900000000 ] - [ 0.0029140000000000, -0.0137072600000000, 0.0190874100000000 ] - [ -0.0035469900000000, 0.0140693200000000, 0.0187686100000000 ] - [ 0.0005879100000000, -0.0013253700000000, -0.2746401600000000 ] - [ -0.0126011800000000, 0.0042318600000000, 0.0110706000000000 ] - [ 0.0124499200000000, -0.0035200400000000, 0.0109670500000000 ] - [ -0.0048687000000000, -0.0157308500000000, 0.0114096800000000 ] - [ 0.0049269800000000, 0.0152390000000000, 0.0114621400000000 ] - [ -0.0006494600000000, -0.0000939700000000, 0.0103743700000000 ] - [ -0.0013497900000000, -0.0043019900000000, -0.0012404000000000 ] - [ 0.0006759700000000, 0.0037755200000000, -0.0013315000000000 ] - [ -0.0000434600000000, 0.0002813400000000, -0.0009983400000000 ] - [ -0.0000484300000000, -0.0004039300000000, -0.0002275300000000 ] - [ -0.0008782500000000, 0.0009277600000000, -0.0004559500000000 ] - [ 0.0001417500000000, 0.0004137400000000, 0.0005638300000000 ] - [ -0.0005033600000000, -0.0003569700000000, 0.0005921200000000 ] - [ -0.0001694100000000, 0.0005617600000000, 0.0003358900000000 ] - [ 0.0001698300000000, -0.0005574100000000, 0.0001973400000000 ] - [ 0.0001881300000000, -0.0000874700000000, 0.0000613000000000 ] - [ 0.0001678600000000, 0.0000343600000000, 0.0000416900000000 ] - [ 0.0005676800000000, -0.0003906200000000, 0.0000584900000000 ] - [ 0.0003658100000000, -0.0001366700000000, -0.0001661200000000 ] - [ 0.0000431300000000, -0.0002838700000000, -0.0001195800000000 ] - [ 0.0003301300000000, 0.0002935100000000, -0.0000429400000000 ] - [ 0.0003514100000000, 0.0002484700000000, 0.0000304600000000 ] - [ 0.0006539900000000, 0.0000973600000000, 0.0000181900000000 ] - [ -0.0000107700000000, 0.0003228100000000, -0.0000239200000000 ] - [ -0.0000077800000000, 0.0003567800000000, 0.0000211800000000 ] - [ -0.0000145700000000, -0.0003340100000000, -0.0000257400000000 ] - [ -0.0000000400000000, -0.0003466900000000, 0.0000202600000000 ] - [ 0.0006533100000000, -0.0000953100000000, -0.0000452400000000 ] - [ 0.0003070100000000, -0.0003766800000000, 0.0000627500000000 ] - [ 0.0003731500000000, -0.0001577700000000, -0.0000114700000000 ] - [ 0.0000434800000000, 0.0002835700000000, 0.0004264300000000 ] - [ 0.0007889600000000, 0.0007480100000000, 0.0001773300000000 ] - [ 0.0001409500000000, -0.0002233300000000, 0.0003950300000000 ] - [ 0.0002662400000000, 0.0003298800000000, -0.0001922500000000 ] - [ 0.0000907300000000, -0.0002679100000000, -0.0001800300000000 ] - [ 0.0001717400000000, 0.0005620300000000, -0.0008582200000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006725900000000, 0.0003512300000000, 0.0014203500000000 ] - [ 0.0017850900000000, -0.0011194400000000, -0.0010281500000000 ] - [ -0.0002363900000000, -0.0011648000000000, -0.0005579300000000 ] - [ 0.0002789900000000, -0.0001450600000000, 0.0003661100000000 ] - [ -0.0000698700000000, 0.0006017500000000, 0.0000045200000000 ] - [ -0.0000627300000000, 0.0005630900000000, -0.0000055600000000 ] - [ -0.0000446300000000, 0.0002024800000000, -0.0000206600000000 ] - [ -0.0000954100000000, 0.0002882600000000, 0.0000221200000000 ] - [ 0.0002472000000000, 0.0003353600000000, 0.0004006600000000 ] - [ -0.0001047600000000, -0.0000475700000000, -0.0006303800000000 ] - [ -0.0003847300000000, 0.0004448500000000, -0.0003311900000000 ] - [ -0.0002703000000000, 0.0004068200000000, 0.0009563600000000 ] - [ -0.0001757700000000, 0.0004611700000000, -0.0004745300000000 ] - [ 0.0007719600000000, 0.0037112300000000, -0.0001484300000000 ] - [ 0.1027272600000000, -0.0055452300000000, -0.0164788300000000 ] - [ 0.0013284100000000, -0.0019641000000000, 0.0043690100000000 ] - [ -0.0014568800000000, -0.0016714600000000, 0.0019335400000000 ] - [ 0.0193146200000000, -0.0345433300000000, -0.0110630600000000 ] - [ -0.0005734500000000, 0.0002145300000000, -0.0001333700000000 ] - [ -0.0007162000000000, 0.0009709400000000, -0.0000336200000000 ] - [ 0.0000825500000000, 0.0003494200000000, -0.0000677200000000 ] - [ 0.0000366900000000, 0.0002998500000000, 0.0008359000000000 ] - [ 0.0000965100000000, 0.0003845500000000, -0.0007672000000000 ] - [ -0.0000628000000000, 0.0003987200000000, 0.0000909600000000 ] - [ 0.0004652700000000, 0.0003280400000000, 0.0000707300000000 ] - [ 0.0004743300000000, 0.0003009300000000, -0.0000886100000000 ] - [ 0.0006942800000000, 0.0003263700000000, -0.0001838300000000 ] - [ 0.0006949400000000, 0.0003347200000000, 0.0001848100000000 ] - [ 0.0006428300000000, 0.0004696200000000, 0.0001493900000000 ] - [ 0.0006385900000000, 0.0004844500000000, -0.0001360500000000 ] - [ 0.0005764800000000, 0.0004297100000000, 0.0000547800000000 ] - [ 0.0005951500000000, 0.0005579000000000, -0.0001484900000000 ] - [ -0.0005330200000000, -0.0004441000000000, -0.0003803800000000 ] - [ 0.0002904700000000, 0.0002265600000000, 0.0002401900000000 ] - [ 0.0002668700000000, -0.0009102100000000, -0.0009522900000000 ] - [ -0.0007269200000000, 0.0001839400000000, -0.0001154700000000 ] - [ -0.0007194900000000, -0.0005894500000000, 0.0003258800000000 ] - [ 0.0004324000000000, -0.0012992900000000, 0.0009693500000000 ] - [ 0.0186235600000000, -0.0077869800000000, 0.0034370400000000 ] - [ -0.0003866900000000, -0.0000137600000000, -0.0006639300000000 ] - [ 0.0079063000000000, -0.0009512600000000, -0.0126502000000000 ] - [ -0.1871905200000000, 0.0515940200000000, 0.0367268300000000 ] - [ -0.0007858700000000, 0.0010984100000000, -0.0006889800000000 ] - [ 0.0006665900000000, 0.0014286100000000, -0.0011913000000000 ] - [ 0.0320212500000000, 0.0021590800000000, 0.0016702300000000 ] - [ -0.0014511600000000, -0.0025259300000000, -0.0049311200000000 ] - [ -0.0003886400000000, -0.0001443200000000, -0.0003675700000000 ] - [ 0.0000610200000000, -0.0026334900000000, 0.0001052300000000 ] - [ -0.0002034100000000, 0.0000833600000000, 0.0002211700000000 ] - [ -0.0004494400000000, 0.0001773100000000, 0.0001083500000000 ] - [ -0.0003105800000000, 0.0000277800000000, -0.0000369800000000 ] - [ -0.0003078900000000, -0.0004307100000000, -0.0001882900000000 ] - [ -0.0001826200000000, -0.0001767100000000, -0.0000545100000000 ] - [ -0.0001708600000000, 0.0002130900000000, -0.0000378700000000 ] - [ 0.0001184500000000, -0.0008568200000000, -0.0000477600000000 ] - [ 0.0001697000000000, -0.0002744600000000, -0.0000535400000000 ] - [ 0.0001782400000000, -0.0003031300000000, 0.0000438000000000 ] - [ 0.0005025200000000, -0.0005065800000000, 0.0000995700000000 ] - [ 0.0005306400000000, -0.0005470200000000, -0.0000726700000000 ] - [ 0.0000032500000000, -0.0005307600000000, 0.0000115100000000 ] - [ 0.0003266900000000, -0.0000779300000000, -0.0000786100000000 ] - [ 0.0003306100000000, -0.0000591500000000, 0.0000715600000000 ] - [ 0.0006347700000000, -0.0001202900000000, 0.0000144400000000 ] - [ -0.0000576500000000, 0.0000627700000000, 0.0000001200000000 ] - [ -0.0000791300000000, 0.0000484000000000, -0.0000095400000000 ] - [ 0.0000355400000000, -0.0006825600000000, -0.0000555700000000 ] - [ 0.0000111100000000, -0.0006710900000000, 0.0000456300000000 ] - [ 0.0006918800000000, -0.0003314700000000, 0.0000157300000000 ] - [ 0.0003698600000000, -0.0006776800000000, -0.0000541400000000 ] - [ 0.0003692000000000, -0.0006316700000000, 0.0000467400000000 ] - [ 0.0000504800000000, 0.0000397900000000, 0.0000776900000000 ] - [ 0.0004798600000000, 0.0000076300000000, -0.0000036000000000 ] - [ 0.0003834100000000, -0.0001270700000000, 0.0001153800000000 ] - [ 0.0002142400000000, -0.0000713300000000, -0.0000784900000000 ] - [ 0.0001561300000000, -0.0002059200000000, -0.0000212300000000 ] - [ 0.0002490300000000, 0.0002153800000000, -0.0001740500000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005195300000000, -0.0000411700000000, -0.0013930700000000 ] - [ -0.0016774700000000, 0.0015169900000000, 0.0009595700000000 ] - [ 0.0003525500000000, 0.0007620100000000, 0.0005674300000000 ] - [ -0.0001166900000000, -0.0001620800000000, -0.0003700300000000 ] - [ -0.0000814800000000, -0.0002965400000000, -0.0000047000000000 ] - [ -0.0000454400000000, -0.0001792600000000, 0.0000036800000000 ] - [ -0.0000577400000000, -0.0005727600000000, 0.0000177500000000 ] - [ -0.0000558800000000, -0.0005802400000000, -0.0000230000000000 ] - [ -0.0002461600000000, -0.0003309200000000, -0.0003926000000000 ] - [ 0.0001051200000000, 0.0000462800000000, -0.0008245900000000 ] - [ 0.0003825500000000, -0.0004413200000000, 0.0003245500000000 ] - [ 0.0002708500000000, -0.0004004600000000, 0.0005050600000000 ] - [ -0.0008264200000000, -0.0006137500000000, 0.0007169700000000 ] - [ -0.0017747500000000, -0.0038148800000000, -0.0001042400000000 ] - [ -0.0965526600000000, 0.0050468200000000, 0.0148224600000000 ] - [ -0.0026443700000000, 0.0018011300000000, -0.0039990400000000 ] - [ 0.0001163800000000, 0.0017928200000000, -0.0022340500000000 ] - [ -0.0205539900000000, 0.0355215100000000, 0.0116498300000000 ] - [ -0.0004290700000000, -0.0000575300000000, -0.0001182600000000 ] - [ -0.0002880000000000, -0.0007871600000000, 0.0002847100000000 ] - [ -0.0000796500000000, -0.0003443900000000, 0.0000654100000000 ] - [ -0.0000392600000000, -0.0002984600000000, 0.0006268000000000 ] - [ -0.0000907900000000, -0.0003809700000000, -0.0006905300000000 ] - [ 0.0000621900000000, -0.0003951800000000, -0.0000885300000000 ] - [ 0.0005368100000000, -0.0004767100000000, 0.0001780700000000 ] - [ 0.0005293800000000, -0.0004520400000000, -0.0001588800000000 ] - [ 0.0006429600000000, -0.0004657300000000, -0.0001499000000000 ] - [ 0.0006385200000000, -0.0004720400000000, 0.0001474300000000 ] - [ 0.0006917400000000, -0.0003207300000000, 0.0001828300000000 ] - [ 0.0006988300000000, -0.0003364400000000, -0.0001955500000000 ] - [ 0.0004270300000000, -0.0002707100000000, 0.0001961200000000 ] - [ 0.0004089400000000, -0.0003987300000000, -0.0001022400000000 ] - [ 0.0002062900000000, -0.0006662700000000, 0.0003726900000000 ] - [ -0.0006473900000000, -0.0002710400000000, -0.0002688400000000 ] - [ -0.0006266800000000, 0.0008441500000000, 0.0009665000000000 ] - [ -0.0002065100000000, -0.0007035300000000, -0.0000988700000000 ] - [ -0.0002252100000000, 0.0000544300000000, -0.0000998200000000 ] - [ -0.0005015000000000, 0.0007032900000000, -0.0009462800000000 ] - [ -0.0191943200000000, 0.0080799500000000, -0.0032424200000000 ] - [ -0.0003046000000000, 0.0005827200000000, 0.0006135200000000 ] - [ -0.0091645900000000, 0.0011343000000000, 0.0124111300000000 ] - [ 0.1792845600000000, -0.0513250500000000, -0.0355192400000000 ] - [ 0.0008188700000000, -0.0003831600000000, 0.0006290000000000 ] - [ -0.0006297900000000, -0.0021284500000000, 0.0012250900000000 ] - [ -0.0319793500000000, -0.0025446600000000, -0.0016719500000000 ] - [ 0.0001745300000000, 0.0023015500000000, 0.0048725800000000 ] - [ -0.0003071300000000, -0.0004229800000000, 0.0004137700000000 ] - [ -0.0007382900000000, 0.0020007300000000, -0.0001471300000000 ] - [ 0.0001183200000000, 0.0005010600000000, -0.0002072000000000 ] - [ -0.0004871100000000, 0.0003522100000000, 0.0001178600000000 ] - [ -0.0006114400000000, 0.0004924900000000, -0.0001871800000000 ] - [ -0.0000653400000000, 0.0004739100000000, 0.0001503100000000 ] - [ -0.0001837100000000, 0.0002292800000000, 0.0000801900000000 ] - [ -0.0001498700000000, 0.0008879000000000, 0.0000385500000000 ] - [ 0.0002040400000000, -0.0002510000000000, 0.0000480600000000 ] - [ 0.0002014200000000, 0.0002237400000000, 0.0000874500000000 ] - [ 0.0001923500000000, 0.0002481800000000, -0.0000757700000000 ] - [ 0.0004241000000000, -0.0000221500000000, 0.0001247600000000 ] - [ 0.0004004800000000, 0.0000147200000000, -0.0001518400000000 ] - [ 0.0000831300000000, -0.0000577700000000, -0.0000153200000000 ] - [ 0.0003677600000000, 0.0006341300000000, 0.0000258300000000 ] - [ 0.0003700000000000, 0.0006244500000000, -0.0000270900000000 ] - [ 0.0006859000000000, 0.0003244600000000, 0.0000017300000000 ] - [ 0.0000299900000000, 0.0006530900000000, -0.0000511400000000 ] - [ 0.0000268700000000, 0.0006481500000000, 0.0000514800000000 ] - [ -0.0000513300000000, -0.0000467600000000, 0.0000012800000000 ] - [ -0.0000546500000000, -0.0000420000000000, -0.0000000400000000 ] - [ 0.0006269500000000, 0.0001235200000000, 0.0000052500000000 ] - [ 0.0003300800000000, 0.0001033300000000, 0.0000945100000000 ] - [ 0.0003220000000000, 0.0000698600000000, -0.0001044500000000 ] - [ 0.0000378100000000, 0.0005415700000000, -0.0000808200000000 ] - [ 0.0004542400000000, 0.0005166700000000, -0.0002107400000000 ] - [ 0.0005391800000000, 0.0006420900000000, 0.0001055000000000 ] - [ 0.0001523600000000, 0.0001241000000000, 0.0000461000000000 ] - [ 0.0002170500000000, 0.0002495900000000, 0.0000562500000000 ] - [ 0.0000760200000000, 0.0008878500000000, 0.0001672700000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001547500000000, 0.0066045900000000, 0.0021207300000000 ] - [ 0.0003545000000000, 0.0104442000000000, -0.0024712800000000 ] - [ -0.0007047600000000, 0.0013380000000000, 0.0047702800000000 ] - [ -0.0005138600000000, -0.0010701700000000, -0.0030761800000000 ] - [ -0.0001113600000000, -0.0030774400000000, -0.0000535300000000 ] - [ 0.0000274500000000, -0.0025696300000000, 0.0000548700000000 ] - [ -0.0001354500000000, -0.0029249500000000, 0.0000302400000000 ] - [ -0.0000604800000000, -0.0033956500000000, -0.0000315800000000 ] - [ -0.0003261300000000, -0.0024904600000000, -0.0003728500000000 ] - [ 0.0001464400000000, -0.0023532000000000, -0.0010536100000000 ] - [ 0.0000110100000000, -0.0030656300000000, 0.0007333100000000 ] - [ 0.0001502100000000, -0.0030808500000000, 0.0003281600000000 ] - [ -0.0009461900000000, 0.0007153600000000, 0.0005918800000000 ] - [ -0.0004927000000000, -0.0047485600000000, 0.0003121400000000 ] - [ -0.0036743800000000, 0.0268356400000000, 0.0015378700000000 ] - [ -0.0012473400000000, 0.0079177100000000, -0.0011196700000000 ] - [ -0.0001519000000000, 0.0090159700000000, -0.0065318300000000 ] - [ -0.0375448900000000, 0.1026025800000000, 0.0241769700000000 ] - [ -0.0000561400000000, -0.0002644700000000, 0.0009621200000000 ] - [ -0.0003876600000000, -0.0081567500000000, -0.0000662900000000 ] - [ -0.0005871100000000, -0.0030570600000000, 0.0008623200000000 ] - [ -0.0001310700000000, -0.0019362100000000, 0.0004476800000000 ] - [ -0.0004798300000000, -0.0028151700000000, -0.0013051700000000 ] - [ 0.0004753700000000, -0.0024180800000000, -0.0007944000000000 ] - [ 0.0008102100000000, -0.0030994000000000, 0.0003846700000000 ] - [ 0.0007118600000000, -0.0028404900000000, -0.0001861600000000 ] - [ 0.0004694000000000, -0.0029707700000000, -0.0000238900000000 ] - [ 0.0004483800000000, -0.0030180300000000, -0.0000126500000000 ] - [ 0.0008657600000000, -0.0028326400000000, 0.0003119500000000 ] - [ 0.0008802700000000, -0.0028685000000000, -0.0003266000000000 ] - [ 0.0003714200000000, -0.0027380400000000, -0.0000380700000000 ] - [ 0.0003155100000000, -0.0028854300000000, 0.0001419000000000 ] - [ -0.0005435800000000, 0.0013328400000000, 0.0004441400000000 ] - [ 0.0006704300000000, 0.0019690300000000, 0.0006773500000000 ] - [ -0.0000966500000000, 0.0021695800000000, 0.0006739000000000 ] - [ -0.0007547400000000, 0.0010015000000000, -0.0005054300000000 ] - [ -0.0001280000000000, 0.0026827200000000, -0.0004881700000000 ] - [ 0.0000409200000000, 0.0009887600000000, -0.0010023900000000 ] - [ -0.0070962600000000, 0.0016342300000000, -0.0035530300000000 ] - [ 0.0010473200000000, -0.0035134600000000, -0.0018250700000000 ] - [ -0.0024960700000000, -0.0074658900000000, 0.0039155600000000 ] - [ 0.0532967700000000, -0.1553253700000000, -0.0333655600000000 ] - [ 0.0007577600000000, -0.0075909600000000, 0.0009263900000000 ] - [ -0.0017704300000000, -0.0064448900000000, 0.0020856200000000 ] - [ -0.0023857700000000, -0.0024283100000000, 0.0003626400000000 ] - [ -0.0022504500000000, 0.0007428700000000, 0.0155430600000000 ] - [ -0.0005422600000000, -0.0022152500000000, -0.0002995600000000 ] - [ -0.0008484000000000, 0.0190676000000000, -0.0034776500000000 ] - [ 0.0010706800000000, 0.0024992100000000, -0.0019840600000000 ] - [ -0.0005132100000000, 0.0011188800000000, -0.0003794700000000 ] - [ -0.0020996900000000, 0.0032442500000000, -0.0004047400000000 ] - [ 0.0006560900000000, 0.0028787600000000, 0.0015576100000000 ] - [ -0.0001810400000000, 0.0009875300000000, 0.0001024000000000 ] - [ -0.0000561100000000, 0.0021239000000000, 0.0005072200000000 ] - [ 0.0004952100000000, 0.0014341100000000, 0.0003860100000000 ] - [ 0.0003340800000000, 0.0016565400000000, 0.0003574500000000 ] - [ 0.0002790500000000, 0.0019134700000000, -0.0001963100000000 ] - [ 0.0001777000000000, 0.0015094600000000, 0.0000504600000000 ] - [ -0.0001574500000000, 0.0019506300000000, -0.0002936900000000 ] - [ 0.0003224700000000, 0.0015188700000000, -0.0001757600000000 ] - [ 0.0005061200000000, 0.0030019300000000, 0.0004346900000000 ] - [ 0.0005365200000000, 0.0029133900000000, -0.0004551300000000 ] - [ 0.0008672900000000, 0.0017441500000000, 0.0000196300000000 ] - [ 0.0002923800000000, 0.0026078300000000, -0.0002157100000000 ] - [ 0.0002764700000000, 0.0025801600000000, 0.0002158500000000 ] - [ -0.0003200300000000, 0.0018448700000000, 0.0001705600000000 ] - [ -0.0003378600000000, 0.0018730500000000, -0.0001702000000000 ] - [ 0.0004552300000000, 0.0015328100000000, 0.0000174900000000 ] - [ 0.0001805700000000, 0.0023948400000000, 0.0004616200000000 ] - [ 0.0001535500000000, 0.0023503000000000, -0.0004844000000000 ] - [ -0.0003013600000000, 0.0021763500000000, -0.0001487700000000 ] - [ 0.0007764400000000, 0.0019984700000000, 0.0000143700000000 ] - [ 0.0010418500000000, 0.0022896900000000, -0.0001054400000000 ] - [ 0.0000864800000000, 0.0019171100000000, 0.0003424200000000 ] - [ 0.0000609900000000, 0.0020450400000000, -0.0002138000000000 ] - [ -0.0001442800000000, 0.0024929500000000, 0.0001745600000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000507700000000, -0.0064576500000000, -0.0023388400000000 ] - [ -0.0002841500000000, -0.0101623500000000, 0.0026898700000000 ] - [ 0.0007994000000000, -0.0016801300000000, -0.0047623500000000 ] - [ 0.0006646400000000, 0.0007951100000000, 0.0030751900000000 ] - [ -0.0000435200000000, 0.0033673300000000, 0.0000534300000000 ] - [ -0.0001240800000000, 0.0029325500000000, -0.0000539200000000 ] - [ 0.0000367900000000, 0.0025593800000000, -0.0000327300000000 ] - [ -0.0000952500000000, 0.0031015500000000, 0.0000306400000000 ] - [ 0.0003240600000000, 0.0024890800000000, 0.0003720100000000 ] - [ -0.0001489500000000, 0.0023529700000000, -0.0004104800000000 ] - [ -0.0000051500000000, 0.0030627500000000, -0.0007370000000000 ] - [ -0.0001457400000000, 0.0030842900000000, 0.0011404100000000 ] - [ -0.0000562800000000, -0.0008851100000000, -0.0003339100000000 ] - [ -0.0005275600000000, 0.0045564000000000, -0.0005706000000000 ] - [ 0.0017802800000000, -0.0269472400000000, -0.0017969500000000 ] - [ -0.0000945700000000, -0.0080539400000000, 0.0014030200000000 ] - [ -0.0011726300000000, -0.0088544000000000, 0.0062080000000000 ] - [ 0.0334321000000000, -0.0974038300000000, -0.0219180000000000 ] - [ -0.0009468100000000, 0.0004346800000000, -0.0012071000000000 ] - [ -0.0006180700000000, 0.0082988400000000, 0.0003109400000000 ] - [ 0.0005832900000000, 0.0030518900000000, -0.0008586000000000 ] - [ 0.0001269200000000, 0.0019376000000000, 0.0010182800000000 ] - [ 0.0004813500000000, 0.0028121300000000, -0.0001636900000000 ] - [ -0.0004731900000000, 0.0024162900000000, 0.0007914300000000 ] - [ 0.0001943800000000, 0.0029365600000000, -0.0001330300000000 ] - [ 0.0002939200000000, 0.0026751800000000, -0.0000640300000000 ] - [ 0.0008630300000000, 0.0028208700000000, -0.0003072300000000 ] - [ 0.0008796400000000, 0.0028679400000000, 0.0003403300000000 ] - [ 0.0004650500000000, 0.0029785600000000, 0.0000181900000000 ] - [ 0.0004518400000000, 0.0030126400000000, -0.0000027200000000 ] - [ 0.0006315100000000, 0.0028980200000000, 0.0002909400000000 ] - [ 0.0006868000000000, 0.0030466300000000, -0.0003939300000000 ] - [ 0.0002290200000000, -0.0024359400000000, -0.0004460700000000 ] - [ -0.0010585800000000, -0.0020250200000000, -0.0007409300000000 ] - [ -0.0002866700000000, -0.0022194200000000, -0.0006195400000000 ] - [ -0.0001505600000000, -0.0015275400000000, 0.0002895500000000 ] - [ -0.0007841100000000, -0.0032251100000000, 0.0007071300000000 ] - [ -0.0001416300000000, -0.0015798400000000, 0.0010121100000000 ] - [ 0.0064173800000000, -0.0009808000000000, 0.0036155500000000 ] - [ -0.0017598300000000, 0.0041003100000000, 0.0017948300000000 ] - [ 0.0011186000000000, 0.0077223200000000, -0.0038335800000000 ] - [ -0.0496460900000000, 0.1507602600000000, 0.0312986700000000 ] - [ -0.0007113600000000, 0.0083290200000000, -0.0009627600000000 ] - [ 0.0018099000000000, 0.0057022400000000, -0.0020349000000000 ] - [ 0.0023369600000000, 0.0016668400000000, -0.0004024100000000 ] - [ 0.0009025800000000, -0.0009451800000000, -0.0154337500000000 ] - [ -0.0001669000000000, 0.0016154100000000, 0.0003241700000000 ] - [ 0.0001298100000000, -0.0193868300000000, 0.0033712000000000 ] - [ -0.0011478500000000, -0.0018770800000000, 0.0019620000000000 ] - [ -0.0004084700000000, -0.0005785200000000, 0.0005902200000000 ] - [ 0.0011611200000000, -0.0026958500000000, 0.0001810900000000 ] - [ -0.0010318300000000, -0.0028151800000000, -0.0015845300000000 ] - [ -0.0001941000000000, -0.0009299900000000, -0.0000576300000000 ] - [ -0.0002526600000000, -0.0010277800000000, -0.0004956300000000 ] - [ -0.0001852400000000, -0.0025275000000000, -0.0003750100000000 ] - [ 0.0000483100000000, -0.0017088800000000, -0.0002986300000000 ] - [ 0.0001036900000000, -0.0019620300000000, 0.0001537600000000 ] - [ 0.0007303700000000, -0.0020418400000000, 0.0001602600000000 ] - [ 0.0010774500000000, -0.0024799300000000, 0.0000707900000000 ] - [ -0.0002290200000000, -0.0021215900000000, 0.0001577900000000 ] - [ 0.0002030400000000, -0.0023998300000000, -0.0004595800000000 ] - [ 0.0001694400000000, -0.0023365400000000, 0.0004888900000000 ] - [ 0.0004621700000000, -0.0015227800000000, -0.0000301000000000 ] - [ -0.0003409400000000, -0.0018710700000000, 0.0001691300000000 ] - [ -0.0003189600000000, -0.0018494900000000, -0.0001702300000000 ] - [ 0.0002835100000000, -0.0025752300000000, -0.0002175200000000 ] - [ 0.0002959100000000, -0.0026118800000000, 0.0002176000000000 ] - [ 0.0008723200000000, -0.0017494700000000, -0.0000111600000000 ] - [ 0.0005261200000000, -0.0029875100000000, -0.0004320700000000 ] - [ 0.0005507600000000, -0.0029306000000000, 0.0004474300000000 ] - [ 0.0003919300000000, -0.0015690800000000, 0.0001547100000000 ] - [ 0.0001426600000000, -0.0014604300000000, -0.0002297200000000 ] - [ -0.0001160500000000, -0.0017501700000000, 0.0003186700000000 ] - [ 0.0002898400000000, -0.0018598700000000, -0.0003928600000000 ] - [ 0.0003124000000000, -0.0019869300000000, 0.0002579600000000 ] - [ 0.0004572800000000, -0.0013882500000000, -0.0001724400000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005218200000000, -0.0019886600000000, 0.0048558400000000 ] - [ 0.0001570100000000, -0.0024766400000000, 0.0100243300000000 ] - [ 0.0003516900000000, 0.0027246400000000, -0.0004983700000000 ] - [ -0.0004725700000000, -0.0023939600000000, -0.0001158200000000 ] - [ -0.0000776100000000, -0.0001608300000000, 0.0000081000000000 ] - [ -0.0000411000000000, -0.0000353600000000, -0.0000093700000000 ] - [ -0.0000535900000000, -0.0003189700000000, -0.0000132300000000 ] - [ -0.0000489700000000, -0.0005940000000000, 0.0000133100000000 ] - [ 0.0002897800000000, -0.0013207600000000, 0.0004084700000000 ] - [ 0.0005959400000000, -0.0008222100000000, -0.0024740000000000 ] - [ -0.0001550200000000, 0.0013104700000000, 0.0000409100000000 ] - [ 0.0001297400000000, -0.0006028400000000, 0.0024070700000000 ] - [ -0.0010445900000000, 0.0005119800000000, -0.0025833200000000 ] - [ -0.0004873400000000, 0.0017058100000000, 0.0019869100000000 ] - [ -0.0143280200000000, 0.0014416100000000, 0.0186558300000000 ] - [ -0.0020060900000000, 0.0016107400000000, -0.0094190000000000 ] - [ 0.0001335500000000, 0.0029587700000000, -0.0078096200000000 ] - [ -0.0114836200000000, 0.0269620900000000, 0.0200901900000000 ] - [ -0.0004821300000000, -0.0003113800000000, -0.0006167600000000 ] - [ -0.0005401300000000, 0.0007063500000000, 0.0001811500000000 ] - [ 0.0000156000000000, -0.0000271600000000, -0.0001208400000000 ] - [ -0.0000360400000000, -0.0003760400000000, 0.0004560900000000 ] - [ 0.0000622900000000, -0.0002398200000000, -0.0003460300000000 ] - [ -0.0001532500000000, -0.0004431000000000, 0.0001455000000000 ] - [ 0.0004872100000000, -0.0002763800000000, 0.0002083000000000 ] - [ 0.0005065700000000, -0.0003217700000000, -0.0002372400000000 ] - [ 0.0006514600000000, -0.0003239000000000, -0.0001626300000000 ] - [ 0.0006533200000000, -0.0003171500000000, 0.0001667500000000 ] - [ 0.0006788700000000, -0.0001773800000000, 0.0001392100000000 ] - [ 0.0006755500000000, -0.0001689100000000, -0.0001315000000000 ] - [ 0.0005230400000000, -0.0001008400000000, -0.0003941700000000 ] - [ 0.0005730800000000, -0.0000093900000000, 0.0003281200000000 ] - [ -0.0012318500000000, 0.0022416000000000, -0.0001295000000000 ] - [ 0.0010837900000000, 0.0023951300000000, 0.0022559400000000 ] - [ 0.0004378600000000, 0.0006408000000000, -0.0019324300000000 ] - [ 0.0001880100000000, -0.0022049000000000, 0.0016338200000000 ] - [ -0.0005337900000000, -0.0015578100000000, -0.0012780900000000 ] - [ -0.0012331500000000, -0.0021442900000000, 0.0000645300000000 ] - [ 0.0003411300000000, -0.0032560200000000, -0.0046962500000000 ] - [ -0.0010450600000000, 0.0009447900000000, 0.0039622300000000 ] - [ -0.0084969000000000, 0.0011988200000000, 0.0109971400000000 ] - [ 0.0364137700000000, -0.0316423600000000, -0.0599574800000000 ] - [ 0.0006967300000000, -0.0005732100000000, 0.0060488800000000 ] - [ -0.0011987700000000, -0.0024192300000000, 0.0031779800000000 ] - [ -0.0016618600000000, 0.0000035000000000, -0.0066364900000000 ] - [ -0.0034224600000000, 0.0076330500000000, 0.0114371300000000 ] - [ -0.0000386900000000, -0.0002962300000000, 0.0021754700000000 ] - [ -0.0001433500000000, -0.0034316100000000, -0.0022519200000000 ] - [ 0.0001096900000000, 0.0001542700000000, 0.0002529800000000 ] - [ -0.0005235600000000, 0.0002735200000000, 0.0003807000000000 ] - [ -0.0003241000000000, 0.0000110700000000, -0.0002400200000000 ] - [ -0.0003856400000000, -0.0000053800000000, -0.0005603100000000 ] - [ -0.0001889600000000, 0.0004133100000000, 0.0002743000000000 ] - [ -0.0000624600000000, 0.0014040600000000, -0.0000948100000000 ] - [ 0.0000902500000000, -0.0003314900000000, -0.0000703400000000 ] - [ 0.0002025000000000, 0.0002264800000000, 0.0001539700000000 ] - [ 0.0002120500000000, 0.0001821400000000, -0.0001612700000000 ] - [ 0.0004335700000000, -0.0001105900000000, 0.0002008400000000 ] - [ 0.0004902500000000, -0.0001850100000000, -0.0001637900000000 ] - [ 0.0000644800000000, -0.0001993200000000, 0.0000090000000000 ] - [ 0.0003764900000000, 0.0005149800000000, 0.0000070800000000 ] - [ 0.0003740100000000, 0.0005143500000000, -0.0000064400000000 ] - [ 0.0006829300000000, 0.0002482800000000, 0.0000015500000000 ] - [ 0.0000022900000000, 0.0005539500000000, -0.0000547600000000 ] - [ 0.0000011800000000, 0.0005577400000000, 0.0000528100000000 ] - [ -0.0000478900000000, -0.0001769700000000, 0.0000253900000000 ] - [ -0.0000467200000000, -0.0001777500000000, -0.0000278200000000 ] - [ 0.0006342200000000, 0.0000654400000000, -0.0000022200000000 ] - [ 0.0003124800000000, -0.0001141400000000, -0.0000302400000000 ] - [ 0.0003136900000000, -0.0000722000000000, 0.0000295000000000 ] - [ 0.0000442800000000, 0.0000568700000000, 0.0000180900000000 ] - [ 0.0002642800000000, 0.0002266700000000, 0.0003655800000000 ] - [ 0.0003503700000000, 0.0001452800000000, -0.0002622600000000 ] - [ 0.0003696000000000, 0.0005381800000000, 0.0005902800000000 ] - [ 0.0001898900000000, 0.0004854500000000, -0.0005930400000000 ] - [ 0.0003089800000000, 0.0011437800000000, -0.0001499000000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004540400000000, 0.0020213800000000, -0.0051401600000000 ] - [ -0.0001296200000000, 0.0024743500000000, -0.0094526100000000 ] - [ -0.0002546100000000, -0.0031093600000000, 0.0004594000000000 ] - [ 0.0006182100000000, 0.0020963800000000, 0.0001491600000000 ] - [ -0.0000720000000000, 0.0004662300000000, -0.0000078800000000 ] - [ -0.0000555300000000, 0.0004160100000000, 0.0000083900000000 ] - [ -0.0000457700000000, -0.0000400200000000, 0.0000128800000000 ] - [ -0.0001009200000000, 0.0003114000000000, -0.0000152200000000 ] - [ -0.0002886500000000, 0.0013339700000000, -0.0004177100000000 ] - [ -0.0005995700000000, 0.0008428300000000, 0.0010041500000000 ] - [ 0.0001551800000000, -0.0012934300000000, -0.0000301200000000 ] - [ -0.0001252300000000, 0.0006095600000000, -0.0009480000000000 ] - [ 0.0000458800000000, -0.0006581200000000, 0.0028351400000000 ] - [ -0.0005173100000000, -0.0019096200000000, -0.0022279100000000 ] - [ 0.0127089600000000, -0.0016975600000000, -0.0187957300000000 ] - [ 0.0006571700000000, -0.0017789900000000, 0.0097410300000000 ] - [ -0.0014627400000000, -0.0028542000000000, 0.0074848100000000 ] - [ 0.0100752500000000, -0.0266911300000000, -0.0200272300000000 ] - [ -0.0005218100000000, 0.0004565500000000, 0.0003578000000000 ] - [ -0.0004644500000000, -0.0005030900000000, 0.0000712700000000 ] - [ -0.0000132200000000, 0.0000402900000000, 0.0001141800000000 ] - [ 0.0000327600000000, 0.0003817600000000, 0.0010097000000000 ] - [ -0.0000563300000000, 0.0002516600000000, -0.0011142400000000 ] - [ 0.0001507500000000, 0.0004508500000000, -0.0001390300000000 ] - [ 0.0005116900000000, 0.0001365400000000, 0.0000401400000000 ] - [ 0.0004955100000000, 0.0001761900000000, -0.0000114200000000 ] - [ 0.0006854500000000, 0.0001915100000000, -0.0001713900000000 ] - [ 0.0006807700000000, 0.0001847100000000, 0.0001645300000000 ] - [ 0.0006535800000000, 0.0003307700000000, 0.0001916300000000 ] - [ 0.0006592100000000, 0.0003209800000000, -0.0002002800000000 ] - [ 0.0004800300000000, 0.0002680200000000, 0.0006458800000000 ] - [ 0.0004276900000000, 0.0001699900000000, -0.0005764500000000 ] - [ 0.0009123400000000, -0.0033646000000000, 0.0001384000000000 ] - [ -0.0014492300000000, -0.0024725800000000, -0.0022774900000000 ] - [ -0.0008139700000000, -0.0006850200000000, 0.0019844000000000 ] - [ -0.0011270700000000, 0.0016557300000000, -0.0018438800000000 ] - [ -0.0003787500000000, 0.0010428500000000, 0.0014784900000000 ] - [ 0.0011296900000000, 0.0015556900000000, -0.0001070300000000 ] - [ -0.0010787200000000, 0.0038860100000000, 0.0046955500000000 ] - [ 0.0003395800000000, -0.0003564800000000, -0.0040039300000000 ] - [ 0.0072596100000000, -0.0009905800000000, -0.0110192200000000 ] - [ -0.0357940400000000, 0.0329429500000000, 0.0598426900000000 ] - [ -0.0006533700000000, 0.0013083300000000, -0.0060953300000000 ] - [ 0.0012286900000000, 0.0017326100000000, -0.0031317700000000 ] - [ 0.0016457400000000, -0.0007478300000000, 0.0065596400000000 ] - [ 0.0020706600000000, -0.0077241200000000, -0.0114022200000000 ] - [ -0.0006510400000000, -0.0002387900000000, -0.0021113200000000 ] - [ -0.0005645700000000, 0.0027830500000000, 0.0022280300000000 ] - [ -0.0002104000000000, 0.0004107500000000, -0.0002348500000000 ] - [ -0.0004058300000000, 0.0002438400000000, -0.0001719000000000 ] - [ -0.0005879300000000, 0.0004880800000000, 0.0000345300000000 ] - [ 0.0000139000000000, 0.0000410000000000, 0.0005126300000000 ] - [ -0.0001727800000000, -0.0003624500000000, -0.0002433900000000 ] - [ -0.0002663800000000, -0.0002975200000000, 0.0000925800000000 ] - [ 0.0002376400000000, -0.0007847600000000, 0.0000699100000000 ] - [ 0.0001679600000000, -0.0002780100000000, -0.0001100800000000 ] - [ 0.0001489800000000, -0.0002415500000000, 0.0001339800000000 ] - [ 0.0004811600000000, -0.0004097200000000, 0.0000036100000000 ] - [ 0.0004444700000000, -0.0003415000000000, -0.0000432900000000 ] - [ 0.0000325200000000, -0.0003820900000000, -0.0000269700000000 ] - [ 0.0003219900000000, 0.0000427600000000, -0.0000535200000000 ] - [ 0.0003239500000000, 0.0000238600000000, 0.0000569800000000 ] - [ 0.0006369200000000, -0.0000472300000000, -0.0000042900000000 ] - [ -0.0000431900000000, 0.0001532100000000, 0.0000074700000000 ] - [ -0.0000381700000000, 0.0001532600000000, -0.0000057400000000 ] - [ 0.0000084900000000, -0.0005432100000000, -0.0000714500000000 ] - [ 0.0000118700000000, -0.0005450000000000, 0.0000743200000000 ] - [ 0.0006884300000000, -0.0002798800000000, -0.0000018800000000 ] - [ 0.0003875000000000, -0.0004594100000000, 0.0000736200000000 ] - [ 0.0003885700000000, -0.0004791100000000, -0.0000730600000000 ] - [ 0.0000574800000000, 0.0005103600000000, 0.0000017700000000 ] - [ 0.0006350900000000, 0.0002755000000000, -0.0005783200000000 ] - [ 0.0005811700000000, 0.0003719300000000, 0.0004714600000000 ] - [ 0.0000130800000000, -0.0005065300000000, -0.0006457500000000 ] - [ 0.0001753200000000, -0.0004404400000000, 0.0006249300000000 ] - [ 0.0000163700000000, -0.0000397500000000, 0.0001569700000000 ]