# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b381a598-3be9-4146-b1db-3a84c37d3550/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 TbCsCdTe3 / Cmcm (63) / materials id 12495](https://mdr.nims.go.jp/datasets/50fe337d-c9b3-459e-9e4b-23466daa57ba) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.238110735000000, -8.355584070000001, 0.000000000000000 ] # a - [ 2.238110735000000, 8.355584070000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.630441220000000 ] # c points: - symbol: Cd # 1 coordinates: [ 0.037579980000000, 0.962420020000000, 0.250000000000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.962420020000000, 0.037579980000000, 0.750000000000000 ] mass: 112.411000 - symbol: Te # 3 coordinates: [ 0.124150500000000, 0.875849500000000, 0.045931370000000 ] mass: 127.600000 - symbol: Te # 4 coordinates: [ 0.875849500000000, 0.124150500000000, 0.954068630000000 ] mass: 127.600000 - symbol: Te # 5 coordinates: [ 0.567462630000000, 0.432537370000000, 0.750000000000000 ] mass: 127.600000 - symbol: Te # 6 coordinates: [ 0.432537370000000, 0.567462630000000, 0.250000000000000 ] mass: 127.600000 - symbol: Te # 7 coordinates: [ 0.124150500000000, 0.875849500000000, 0.454068630000000 ] mass: 127.600000 - symbol: Te # 8 coordinates: [ 0.875849500000000, 0.124150500000000, 0.545931370000000 ] mass: 127.600000 - symbol: Cs # 9 coordinates: [ 0.748854570000000, 0.251145430000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 10 coordinates: [ 0.251145430000000, 0.748854570000000, 0.750000000000000 ] mass: 132.905452 - symbol: Tb # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 - symbol: Tb # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reciprocal_lattice: # without 2pi - [ 0.223402708445523, -0.059840221319202, 0.000000000000000 ] # a* - [ 0.223402708445523, 0.059840221319202, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.085981260820989 ] # c*unit_cell: lattice: - [ 4.476221470000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.711168140000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.630441220000000 ] # c points: - symbol: Cd # 1 coordinates: [ 0.500000000000000, 0.462420020000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.037579980000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.962420020000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.500000000000000, 0.537579980000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 2 - symbol: Te # 5 coordinates: [ 0.500000000000000, 0.375849500000000, 0.045931370000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 6 coordinates: [ 0.000000000000000, 0.124150500000000, 0.954068630000000 ] mass: 127.600000 reduced_to: 6 - symbol: Te # 7 coordinates: [ 0.000000000000000, 0.432537370000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 7 - symbol: Te # 8 coordinates: [ 0.500000000000000, 0.067462630000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 8 - symbol: Te # 9 coordinates: [ 0.500000000000000, 0.375849500000000, 0.454068630000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.000000000000000, 0.124150500000000, 0.545931370000000 ] mass: 127.600000 reduced_to: 10 - symbol: Te # 11 coordinates: [ 0.000000000000000, 0.875849500000000, 0.045931370000000 ] mass: 127.600000 reduced_to: 5 - symbol: Te # 12 coordinates: [ 0.500000000000000, 0.624150500000000, 0.954068630000000 ] mass: 127.600000 reduced_to: 6 - symbol: Te # 13 coordinates: [ 0.500000000000000, 0.932537370000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 7 - symbol: Te # 14 coordinates: [ 0.000000000000000, 0.567462630000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 8 - symbol: Te # 15 coordinates: [ 0.000000000000000, 0.875849500000000, 0.454068630000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 16 coordinates: [ 0.500000000000000, 0.624150500000000, 0.545931370000000 ] mass: 127.600000 reduced_to: 10 - symbol: Cs # 17 coordinates: [ 0.000000000000000, 0.251145430000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 17 - symbol: Cs # 18 coordinates: [ 0.500000000000000, 0.248854570000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 18 - symbol: Cs # 19 coordinates: [ 0.500000000000000, 0.751145430000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 17 - symbol: Cs # 20 coordinates: [ 0.000000000000000, 0.748854570000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 18 - symbol: Tb # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 21 - symbol: Tb # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 22 - symbol: Tb # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 21 - symbol: Tb # 24 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 22supercell: lattice: - [ 13.428664410000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.711168140000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 23.260882440000000 ] # c points: - symbol: Cd # 1 coordinates: [ 0.166666666666667, 0.462420020000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.500000000000000, 0.462420020000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.833333333333333, 0.462420020000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.166666666666667, 0.462420020000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.500000000000000, 0.462420020000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 6 coordinates: [ 0.833333333333333, 0.462420020000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.037579980000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333333333333, 0.037579980000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 9 coordinates: [ 0.666666666666667, 0.037579980000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.037579980000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 11 coordinates: [ 0.333333333333333, 0.037579980000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 12 coordinates: [ 0.666666666666667, 0.037579980000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.962420020000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 14 coordinates: [ 0.333333333333333, 0.962420020000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 15 coordinates: [ 0.666666666666667, 0.962420020000000, 0.125000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.962420020000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 17 coordinates: [ 0.333333333333333, 0.962420020000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 18 coordinates: [ 0.666666666666667, 0.962420020000000, 0.625000000000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 19 coordinates: [ 0.166666666666667, 0.537579980000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 20 coordinates: [ 0.500000000000000, 0.537579980000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 21 coordinates: [ 0.833333333333333, 0.537579980000000, 0.375000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 22 coordinates: [ 0.166666666666667, 0.537579980000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 23 coordinates: [ 0.500000000000000, 0.537579980000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 24 coordinates: [ 0.833333333333333, 0.537579980000000, 0.875000000000000 ] mass: 112.411000 reduced_to: 7 - symbol: Te # 25 coordinates: [ 0.166666666666667, 0.375849500000000, 0.022965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.500000000000000, 0.375849500000000, 0.022965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 27 coordinates: [ 0.833333333333333, 0.375849500000000, 0.022965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 28 coordinates: [ 0.166666666666667, 0.375849500000000, 0.522965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 29 coordinates: [ 0.500000000000000, 0.375849500000000, 0.522965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 30 coordinates: [ 0.833333333333333, 0.375849500000000, 0.522965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 31 coordinates: [ 0.000000000000000, 0.124150500000000, 0.477034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.333333333333333, 0.124150500000000, 0.477034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 33 coordinates: [ 0.666666666666667, 0.124150500000000, 0.477034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 34 coordinates: [ 0.000000000000000, 0.124150500000000, 0.977034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 35 coordinates: [ 0.333333333333333, 0.124150500000000, 0.977034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 36 coordinates: [ 0.666666666666667, 0.124150500000000, 0.977034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 37 coordinates: [ 0.000000000000000, 0.432537370000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.333333333333333, 0.432537370000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 39 coordinates: [ 0.666666666666667, 0.432537370000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 40 coordinates: [ 0.000000000000000, 0.432537370000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 41 coordinates: [ 0.333333333333333, 0.432537370000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 42 coordinates: [ 0.666666666666667, 0.432537370000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 43 coordinates: [ 0.166666666666667, 0.067462630000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.500000000000000, 0.067462630000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 45 coordinates: [ 0.833333333333333, 0.067462630000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 46 coordinates: [ 0.166666666666667, 0.067462630000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 47 coordinates: [ 0.500000000000000, 0.067462630000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 48 coordinates: [ 0.833333333333333, 0.067462630000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 49 coordinates: [ 0.166666666666667, 0.375849500000000, 0.227034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.500000000000000, 0.375849500000000, 0.227034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 51 coordinates: [ 0.833333333333333, 0.375849500000000, 0.227034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 52 coordinates: [ 0.166666666666667, 0.375849500000000, 0.727034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 53 coordinates: [ 0.500000000000000, 0.375849500000000, 0.727034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 54 coordinates: [ 0.833333333333333, 0.375849500000000, 0.727034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 55 coordinates: [ 0.000000000000000, 0.124150500000000, 0.272965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.333333333333333, 0.124150500000000, 0.272965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 57 coordinates: [ 0.666666666666667, 0.124150500000000, 0.272965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 58 coordinates: [ 0.000000000000000, 0.124150500000000, 0.772965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 59 coordinates: [ 0.333333333333333, 0.124150500000000, 0.772965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 60 coordinates: [ 0.666666666666667, 0.124150500000000, 0.772965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 61 coordinates: [ 0.000000000000000, 0.875849500000000, 0.022965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 62 coordinates: [ 0.333333333333333, 0.875849500000000, 0.022965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 63 coordinates: [ 0.666666666666667, 0.875849500000000, 0.022965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 64 coordinates: [ 0.000000000000000, 0.875849500000000, 0.522965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 65 coordinates: [ 0.333333333333333, 0.875849500000000, 0.522965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 66 coordinates: [ 0.666666666666667, 0.875849500000000, 0.522965685000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 67 coordinates: [ 0.166666666666667, 0.624150500000000, 0.477034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 68 coordinates: [ 0.500000000000000, 0.624150500000000, 0.477034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 69 coordinates: [ 0.833333333333333, 0.624150500000000, 0.477034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 70 coordinates: [ 0.166666666666667, 0.624150500000000, 0.977034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 71 coordinates: [ 0.500000000000000, 0.624150500000000, 0.977034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 72 coordinates: [ 0.833333333333333, 0.624150500000000, 0.977034315000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 73 coordinates: [ 0.166666666666667, 0.932537370000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 74 coordinates: [ 0.500000000000000, 0.932537370000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 75 coordinates: [ 0.833333333333333, 0.932537370000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 76 coordinates: [ 0.166666666666667, 0.932537370000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 77 coordinates: [ 0.500000000000000, 0.932537370000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 78 coordinates: [ 0.833333333333333, 0.932537370000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 79 coordinates: [ 0.000000000000000, 0.567462630000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 80 coordinates: [ 0.333333333333333, 0.567462630000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 81 coordinates: [ 0.666666666666667, 0.567462630000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 82 coordinates: [ 0.000000000000000, 0.567462630000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 83 coordinates: [ 0.333333333333333, 0.567462630000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 84 coordinates: [ 0.666666666666667, 0.567462630000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 85 coordinates: [ 0.000000000000000, 0.875849500000000, 0.227034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 86 coordinates: [ 0.333333333333333, 0.875849500000000, 0.227034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 87 coordinates: [ 0.666666666666667, 0.875849500000000, 0.227034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 88 coordinates: [ 0.000000000000000, 0.875849500000000, 0.727034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 89 coordinates: [ 0.333333333333333, 0.875849500000000, 0.727034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 90 coordinates: [ 0.666666666666667, 0.875849500000000, 0.727034315000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 91 coordinates: [ 0.166666666666667, 0.624150500000000, 0.272965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 92 coordinates: [ 0.500000000000000, 0.624150500000000, 0.272965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 93 coordinates: [ 0.833333333333333, 0.624150500000000, 0.272965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 94 coordinates: [ 0.166666666666667, 0.624150500000000, 0.772965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 95 coordinates: [ 0.500000000000000, 0.624150500000000, 0.772965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 96 coordinates: [ 0.833333333333333, 0.624150500000000, 0.772965685000000 ] mass: 127.600000 reduced_to: 55 - symbol: Cs # 97 coordinates: [ 0.000000000000000, 0.251145430000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 98 coordinates: [ 0.333333333333333, 0.251145430000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 99 coordinates: [ 0.666666666666667, 0.251145430000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 100 coordinates: [ 0.000000000000000, 0.251145430000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 101 coordinates: [ 0.333333333333333, 0.251145430000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 102 coordinates: [ 0.666666666666667, 0.251145430000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 103 coordinates: [ 0.166666666666667, 0.248854570000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 104 coordinates: [ 0.500000000000000, 0.248854570000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 105 coordinates: [ 0.833333333333333, 0.248854570000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 106 coordinates: [ 0.166666666666667, 0.248854570000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 107 coordinates: [ 0.500000000000000, 0.248854570000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 108 coordinates: [ 0.833333333333333, 0.248854570000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 109 coordinates: [ 0.166666666666667, 0.751145430000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 110 coordinates: [ 0.500000000000000, 0.751145430000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 111 coordinates: [ 0.833333333333333, 0.751145430000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 112 coordinates: [ 0.166666666666667, 0.751145430000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 113 coordinates: [ 0.500000000000000, 0.751145430000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 114 coordinates: [ 0.833333333333333, 0.751145430000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 97 - symbol: Cs # 115 coordinates: [ 0.000000000000000, 0.748854570000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 116 coordinates: [ 0.333333333333333, 0.748854570000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 117 coordinates: [ 0.666666666666667, 0.748854570000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 118 coordinates: [ 0.000000000000000, 0.748854570000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 119 coordinates: [ 0.333333333333333, 0.748854570000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Cs # 120 coordinates: [ 0.666666666666667, 0.748854570000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 103 - symbol: Tb # 121 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 122 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 123 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 124 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 125 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 126 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 127 coordinates: [ 0.166666666666667, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 128 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 129 coordinates: [ 0.833333333333333, 0.000000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 130 coordinates: [ 0.166666666666667, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 131 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 132 coordinates: [ 0.833333333333333, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 133 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 134 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 135 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 136 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 137 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 138 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 139 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 140 coordinates: [ 0.333333333333333, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 141 coordinates: [ 0.666666666666667, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 142 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 143 coordinates: [ 0.333333333333333, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 144 coordinates: [ 0.666666666666667, 0.500000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 127born_effective_charge:- # 1 (Cd) - [ 2.073740810000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.782742350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.961519020000000 ]- # 2 (Cd) - [ 2.073740810000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.782742350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.961519020000000 ]- # 3 (Te) - [ -3.490824600000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.693309360000000, 0.067446460000000 ] - [ 0.000000000000000, 0.067076090000000, -2.282836640000000 ]- # 4 (Te) - [ -3.490824600000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.693309360000000, 0.067446460000000 ] - [ 0.000000000000000, 0.067076090000000, -2.282836640000000 ]- # 5 (Te) - [ -2.330761790000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.172713920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.526102540000000 ]- # 6 (Te) - [ -2.330761790000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.172713920000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.526102540000000 ]- # 7 (Te) - [ -3.490824600000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.693309360000000, -0.067446460000000 ] - [ -0.000000000000000, -0.067076090000000, -2.282836640000000 ]- # 8 (Te) - [ -3.490824600000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.693309360000000, -0.067446460000000 ] - [ -0.000000000000000, -0.067076090000000, -2.282836640000000 ]- # 9 (Cs) - [ 1.358015210000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.002421870000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.379965250000000 ]- # 10 (Cs) - [ 1.358015210000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.002421870000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.379965250000000 ]- # 11 (Tb) - [ 5.880654980000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.774168420000000, 0.303751220000000 ] - [ 0.000000000000000, 0.245551210000000, 4.750291540000000 ]- # 12 (Tb) - [ 5.880654980000000, 0.000000000000001, 0.000000000000000 ] - [ -0.000000000000000, 1.774168420000000, -0.303751220000000 ] - [ -0.000000000000000, -0.245551210000000, 4.750291540000000 ]dielectric_constant: - [ 9.907102070000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.666934650000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.564014680000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0406400300000000, -0.0125896500000000, 0.0000000000000000 ] - [ 0.0029280600000000, -0.0131080000000000, 0.0000000000000000 ] - [ 0.0029109600000000, -0.0107479900000000, 0.0000000000000000 ] - [ 0.0000189800000000, -0.0119326200000000, 0.0000000000000000 ] - [ -0.0000047700000000, -0.0119392700000000, 0.0000000000000000 ] - [ -0.0000047700000000, -0.0119258800000000, 0.0000000000000000 ] - [ -0.0000014100000000, 0.0119407400000000, -0.0000090700000000 ] - [ -0.0000007400000000, 0.0119240200000000, 0.0000091200000000 ] - [ 0.0000005300000000, 0.0119323100000000, 0.0000000400000000 ] - [ -0.0000014100000000, 0.0119407400000000, 0.0000090700000000 ] - [ -0.0000007400000000, 0.0119240200000000, -0.0000091200000000 ] - [ 0.0000005300000000, 0.0119323100000000, -0.0000000400000000 ] - [ -0.0000345000000000, -0.0119966300000000, 0.0000000000000000 ] - [ -0.0000342700000000, -0.0118687300000000, 0.0000000000000000 ] - [ 0.0000705100000000, -0.0119328500000000, 0.0000000000000000 ] - [ 0.0000006900000000, -0.0119321400000000, 0.0000000000000000 ] - [ 0.0000018300000000, -0.0119331200000000, 0.0000000000000000 ] - [ -0.0000005300000000, -0.0119326400000000, 0.0000000000000000 ] - [ 0.0001429100000000, 0.0119324200000000, -0.0000000900000000 ] - [ -0.0001111800000000, 0.0116960600000000, 0.0002785900000000 ] - [ -0.0001118000000000, 0.0121699800000000, -0.0002791500000000 ] - [ 0.0001429100000000, 0.0119324200000000, 0.0000000900000000 ] - [ -0.0001111800000000, 0.0116960600000000, -0.0002785900000000 ] - [ -0.0001118000000000, 0.0121699800000000, 0.0002791500000000 ] - [ 0.0014099700000000, 0.0198043300000000, -0.0057353200000000 ] - [ -0.0007118700000000, 0.0200826200000000, -0.0051937700000000 ] - [ -0.0007094500000000, 0.0194292300000000, -0.0064491100000000 ] - [ 0.0000312100000000, 0.0197566100000000, -0.0058225000000000 ] - [ -0.0000058400000000, 0.0197575400000000, -0.0058175800000000 ] - [ -0.0000057100000000, 0.0197555600000000, -0.0058274900000000 ] - [ 0.0000041200000000, -0.0197682200000000, 0.0058270800000000 ] - [ 0.0000041200000000, -0.0197455300000000, 0.0058178600000000 ] - [ -0.0000117000000000, -0.0197568400000000, 0.0058224600000000 ] - [ 0.0000220700000000, -0.0197365600000000, 0.0058032500000000 ] - [ 0.0000219700000000, -0.0197769500000000, 0.0058420100000000 ] - [ -0.0000359100000000, -0.0197567600000000, 0.0058225800000000 ] - [ 0.0003006000000000, -0.0068450900000000, 0.0001389800000000 ] - [ 0.0003001000000000, -0.0062082700000000, -0.0001406800000000 ] - [ -0.0001913100000000, -0.0065267400000000, -0.0000000500000000 ] - [ 0.0003006000000000, -0.0068450900000000, -0.0001389800000000 ] - [ 0.0003001000000000, -0.0062082700000000, 0.0001406800000000 ] - [ -0.0001913100000000, -0.0065267400000000, 0.0000000500000000 ] - [ 0.0000965900000000, 0.0065261800000000, 0.0000000000000000 ] - [ -0.0000532500000000, 0.0065489700000000, 0.0000000000000000 ] - [ -0.0000529700000000, 0.0065033500000000, 0.0000000000000000 ] - [ 0.0000003700000000, 0.0065259400000000, 0.0000000000000000 ] - [ -0.0000027300000000, 0.0065254700000000, 0.0000000000000000 ] - [ -0.0000027400000000, 0.0065264500000000, 0.0000000000000000 ] - [ 0.0014099700000000, 0.0198043300000000, 0.0057353200000000 ] - [ -0.0007118700000000, 0.0200826200000000, 0.0051937700000000 ] - [ -0.0007094500000000, 0.0194292300000000, 0.0064491100000000 ] - [ 0.0000312100000000, 0.0197566100000000, 0.0058225000000000 ] - [ -0.0000058400000000, 0.0197575400000000, 0.0058175800000000 ] - [ -0.0000057100000000, 0.0197555600000000, 0.0058274900000000 ] - [ 0.0000220700000000, -0.0197365600000000, -0.0058032500000000 ] - [ 0.0000219700000000, -0.0197769500000000, -0.0058420100000000 ] - [ -0.0000359100000000, -0.0197567600000000, -0.0058225800000000 ] - [ 0.0000041200000000, -0.0197682200000000, -0.0058270800000000 ] - [ 0.0000041200000000, -0.0197455300000000, -0.0058178600000000 ] - [ -0.0000117000000000, -0.0197568400000000, -0.0058224600000000 ] - [ 0.0000648500000000, 0.0199048700000000, -0.0058609500000000 ] - [ 0.0000645000000000, 0.0196083500000000, -0.0057838700000000 ] - [ -0.0001537600000000, 0.0197570200000000, -0.0058226000000000 ] - [ -0.0000001100000000, 0.0197563900000000, -0.0058226800000000 ] - [ -0.0000001400000000, 0.0197569100000000, -0.0058223900000000 ] - [ -0.0000024100000000, 0.0197566400000000, -0.0058225300000000 ] - [ 0.0000002200000000, -0.0197569000000000, 0.0058223900000000 ] - [ 0.0000266100000000, -0.0196892500000000, 0.0057760800000000 ] - [ 0.0000266500000000, -0.0198246200000000, 0.0058696200000000 ] - [ 0.0006307100000000, -0.0197572300000000, 0.0058241100000000 ] - [ -0.0003493400000000, -0.0196152300000000, 0.0062443700000000 ] - [ -0.0003487500000000, -0.0199007800000000, 0.0054010400000000 ] - [ 0.0000177100000000, -0.0065261500000000, -0.0000000800000000 ] - [ -0.0000107800000000, -0.0065272200000000, 0.0000003700000000 ] - [ -0.0000107300000000, -0.0065251100000000, -0.0000005000000000 ] - [ 0.0000177100000000, -0.0065261500000000, 0.0000000800000000 ] - [ -0.0000107800000000, -0.0065272200000000, -0.0000003700000000 ] - [ -0.0000107300000000, -0.0065251100000000, 0.0000005000000000 ] - [ 0.0165399300000000, -0.0084484200000000, 0.0000000000000000 ] - [ 0.0171340500000000, 0.0220670900000000, 0.0000000000000000 ] - [ -0.0015538600000000, 0.0065244300000000, 0.0000000000000000 ] - [ 0.0000077700000000, 0.0064947500000000, 0.0000000000000000 ] - [ 0.0000077400000000, 0.0065570500000000, 0.0000000000000000 ] - [ -0.0000235400000000, 0.0065258500000000, 0.0000000000000000 ] - [ 0.0000648500000000, 0.0199048700000000, 0.0058609500000000 ] - [ 0.0000645000000000, 0.0196083500000000, 0.0057838700000000 ] - [ -0.0001537600000000, 0.0197570200000000, 0.0058226000000000 ] - [ -0.0000001100000000, 0.0197563900000000, 0.0058226800000000 ] - [ -0.0000001400000000, 0.0197569100000000, 0.0058223900000000 ] - [ -0.0000024100000000, 0.0197566400000000, 0.0058225300000000 ] - [ 0.0006307100000000, -0.0197572300000000, -0.0058241100000000 ] - [ -0.0003493400000000, -0.0196152300000000, -0.0062443700000000 ] - [ -0.0003487500000000, -0.0199007800000000, -0.0054010400000000 ] - [ 0.0000002200000000, -0.0197569000000000, -0.0058223900000000 ] - [ 0.0000266100000000, -0.0196892500000000, -0.0057760800000000 ] - [ 0.0000266500000000, -0.0198246200000000, -0.0058696200000000 ] - [ 0.0004288100000000, -0.0065379000000000, 0.0000000000000000 ] - [ 0.0004320100000000, -0.0092766200000000, 0.0000000000000000 ] - [ 0.0002296300000000, -0.0079005600000000, 0.0000000000000000 ] - [ 0.0000007000000000, -0.0079014100000000, 0.0000000000000000 ] - [ 0.0000007400000000, -0.0078994900000000, 0.0000000000000000 ] - [ -0.0000019600000000, -0.0079004800000000, 0.0000000000000000 ] - [ 0.0001233400000000, 0.0079001300000000, 0.0000002200000000 ] - [ -0.0000176800000000, 0.0078562000000000, 0.0000677800000000 ] - [ -0.0000176300000000, 0.0079440900000000, -0.0000674500000000 ] - [ 0.0001233400000000, 0.0079001300000000, -0.0000002200000000 ] - [ -0.0000176800000000, 0.0078562000000000, -0.0000677800000000 ] - [ -0.0000176300000000, 0.0079440900000000, 0.0000674500000000 ] - [ -0.0010219900000000, -0.0079004800000000, 0.0000000000000000 ] - [ 0.0003807900000000, -0.0073201400000000, 0.0000000000000000 ] - [ 0.0003800200000000, -0.0084831600000000, 0.0000000000000000 ] - [ 0.0000010600000000, -0.0079004500000000, 0.0000000000000000 ] - [ -0.0000011100000000, -0.0078939000000000, 0.0000000000000000 ] - [ -0.0000011600000000, -0.0079071900000000, 0.0000000000000000 ] - [ -0.0000314000000000, 0.0078808500000000, -0.0000416300000000 ] - [ -0.0000312000000000, 0.0079194100000000, 0.0000416500000000 ] - [ 0.0000558300000000, 0.0079001600000000, -0.0000000200000000 ] - [ -0.0000314000000000, 0.0078808500000000, 0.0000416300000000 ] - [ -0.0000312000000000, 0.0079194100000000, -0.0000416500000000 ] - [ 0.0000558300000000, 0.0079001600000000, 0.0000000200000000 ] - [ -0.0001416900000000, -0.0000001500000000, 0.0000001900000000 ] - [ 0.0000700900000000, 0.0000311900000000, 0.0000475600000000 ] - [ 0.0000696800000000, -0.0000317800000000, -0.0000474800000000 ] - [ -0.0000081300000000, -0.0000001400000000, -0.0000000600000000 ] - [ 0.0000023200000000, -0.0000016800000000, -0.0000015000000000 ] - [ 0.0000023200000000, 0.0000013700000000, 0.0000013900000000 ] - [ -0.0001416900000000, -0.0000001500000000, -0.0000001900000000 ] - [ 0.0000700900000000, 0.0000311900000000, -0.0000475600000000 ] - [ 0.0000696800000000, -0.0000317800000000, 0.0000474800000000 ] - [ -0.0000081300000000, -0.0000001400000000, 0.0000000600000000 ] - [ 0.0000023200000000, -0.0000016800000000, 0.0000015000000000 ] - [ 0.0000023200000000, 0.0000013700000000, -0.0000013900000000 ] - [ -0.0003330100000000, 0.0014773900000000, -0.0048895800000000 ] - [ -0.0003197800000000, -0.0014657400000000, 0.0049175000000000 ] - [ 0.0011555700000000, 0.0000022000000000, 0.0000002400000000 ] - [ 0.0000081100000000, 0.0000018800000000, 0.0000160300000000 ] - [ 0.0000079200000000, -0.0000014300000000, -0.0000165900000000 ] - [ 0.0000409000000000, 0.0000000200000000, 0.0000000300000000 ] - [ -0.0003330100000000, 0.0014773900000000, 0.0048895800000000 ] - [ -0.0003197800000000, -0.0014657400000000, -0.0049175000000000 ] - [ 0.0011555700000000, 0.0000022000000000, -0.0000002400000000 ] - [ 0.0000081100000000, 0.0000018800000000, -0.0000160300000000 ] - [ 0.0000079200000000, -0.0000014300000000, 0.0000165900000000 ] - [ 0.0000409000000000, 0.0000000200000000, -0.0000000300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0584580200000000, 0.0000000000000000 ] - [ 0.0011798600000000, -0.0143576500000000, 0.0000000000000000 ] - [ -0.0011798600000000, -0.0143576500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119496900000000, 0.0000000000000000 ] - [ 0.0000066300000000, -0.0119578600000000, 0.0000000000000000 ] - [ -0.0000066300000000, -0.0119578600000000, 0.0000000000000000 ] - [ 0.0000084700000000, 0.0119818700000000, -0.0000501300000000 ] - [ -0.0000084700000000, 0.0119818700000000, -0.0000501300000000 ] - [ 0.0000000000000000, 0.0119236800000000, 0.0000302300000000 ] - [ 0.0000084700000000, 0.0119818700000000, 0.0000501300000000 ] - [ -0.0000084700000000, 0.0119818700000000, 0.0000501300000000 ] - [ 0.0000000000000000, 0.0119236800000000, -0.0000302300000000 ] - [ 0.0000637800000000, -0.0118266600000000, 0.0000000000000000 ] - [ -0.0000637800000000, -0.0118266600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0118332900000000, 0.0000000000000000 ] - [ -0.0000010100000000, -0.0119268600000000, 0.0000000000000000 ] - [ 0.0000010100000000, -0.0119268600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119290800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0114507600000000, 0.0000590000000000 ] - [ -0.0002367700000000, 0.0116264600000000, 0.0002638600000000 ] - [ 0.0002367700000000, 0.0116264600000000, 0.0002638600000000 ] - [ 0.0000000000000000, 0.0114507600000000, -0.0000590000000000 ] - [ -0.0002367700000000, 0.0116264600000000, -0.0002638600000000 ] - [ 0.0002367700000000, 0.0116264600000000, -0.0002638600000000 ] - [ 0.0000000000000000, 0.0328235500000000, 0.0104438900000000 ] - [ 0.0002131700000000, 0.0203806600000000, -0.0053828600000000 ] - [ -0.0002131700000000, 0.0203806600000000, -0.0053828600000000 ] - [ 0.0000000000000000, 0.0197799700000000, -0.0058196800000000 ] - [ 0.0000276400000000, 0.0197635700000000, -0.0058071300000000 ] - [ -0.0000276400000000, 0.0197635700000000, -0.0058071300000000 ] - [ -0.0000331200000000, -0.0197985200000000, 0.0058416500000000 ] - [ 0.0000331200000000, -0.0197985200000000, 0.0058416500000000 ] - [ 0.0000000000000000, -0.0197484800000000, 0.0058018400000000 ] - [ -0.0000366900000000, -0.0199142300000000, 0.0057868800000000 ] - [ 0.0000366900000000, -0.0199142300000000, 0.0057868800000000 ] - [ 0.0000000000000000, -0.0197466900000000, 0.0058465100000000 ] - [ -0.0003442900000000, -0.0059879500000000, 0.0000819400000000 ] - [ 0.0003442900000000, -0.0059879500000000, 0.0000819400000000 ] - [ 0.0000000000000000, -0.0064280300000000, -0.0002055400000000 ] - [ -0.0003442900000000, -0.0059879500000000, -0.0000819400000000 ] - [ 0.0003442900000000, -0.0059879500000000, -0.0000819400000000 ] - [ 0.0000000000000000, -0.0064280300000000, 0.0002055400000000 ] - [ 0.0000000000000000, 0.0063128600000000, 0.0000000000000000 ] - [ 0.0000773000000000, 0.0064033700000000, 0.0000000000000000 ] - [ -0.0000773000000000, 0.0064033700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065166600000000, 0.0000000000000000 ] - [ 0.0000054500000000, 0.0065202200000000, 0.0000000000000000 ] - [ -0.0000054500000000, 0.0065202200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0328235500000000, -0.0104438900000000 ] - [ 0.0002131700000000, 0.0203806600000000, 0.0053828600000000 ] - [ -0.0002131700000000, 0.0203806600000000, 0.0053828600000000 ] - [ 0.0000000000000000, 0.0197799700000000, 0.0058196800000000 ] - [ 0.0000276400000000, 0.0197635700000000, 0.0058071300000000 ] - [ -0.0000276400000000, 0.0197635700000000, 0.0058071300000000 ] - [ -0.0000366900000000, -0.0199142300000000, -0.0057868800000000 ] - [ 0.0000366900000000, -0.0199142300000000, -0.0057868800000000 ] - [ 0.0000000000000000, -0.0197466900000000, -0.0058465100000000 ] - [ -0.0000331200000000, -0.0197985200000000, -0.0058416500000000 ] - [ 0.0000331200000000, -0.0197985200000000, -0.0058416500000000 ] - [ 0.0000000000000000, -0.0197484800000000, -0.0058018400000000 ] - [ -0.0000246900000000, 0.0195719800000000, -0.0057774300000000 ] - [ 0.0000246900000000, 0.0195719800000000, -0.0057774300000000 ] - [ 0.0000000000000000, 0.0195927100000000, -0.0057957300000000 ] - [ -0.0000051700000000, 0.0197457200000000, -0.0058248600000000 ] - [ 0.0000051700000000, 0.0197457200000000, -0.0058248600000000 ] - [ 0.0000000000000000, 0.0197519300000000, -0.0058242600000000 ] - [ 0.0000000000000000, -0.0196656800000000, 0.0057216000000000 ] - [ 0.0001036900000000, -0.0196489700000000, 0.0057774400000000 ] - [ -0.0001036900000000, -0.0196489700000000, 0.0057774400000000 ] - [ 0.0000000000000000, -0.0188387200000000, 0.0061030700000000 ] - [ 0.0001065900000000, -0.0193671600000000, 0.0063086100000000 ] - [ -0.0001065900000000, -0.0193671600000000, 0.0063086100000000 ] - [ 0.0000000000000000, -0.0065811100000000, 0.0000123500000000 ] - [ 0.0000391800000000, -0.0065681100000000, -0.0000076400000000 ] - [ -0.0000391800000000, -0.0065681100000000, -0.0000076400000000 ] - [ 0.0000000000000000, -0.0065811100000000, -0.0000123500000000 ] - [ 0.0000391800000000, -0.0065681100000000, 0.0000076400000000 ] - [ -0.0000391800000000, -0.0065681100000000, 0.0000076400000000 ] - [ -0.0138242300000000, 0.0211366800000000, 0.0000000000000000 ] - [ 0.0138242300000000, 0.0211366800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0071333100000000, 0.0000000000000000 ] - [ -0.0000086200000000, 0.0065742300000000, 0.0000000000000000 ] - [ 0.0000086200000000, 0.0065742300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065160800000000, 0.0000000000000000 ] - [ -0.0000246900000000, 0.0195719800000000, 0.0057774300000000 ] - [ 0.0000246900000000, 0.0195719800000000, 0.0057774300000000 ] - [ 0.0000000000000000, 0.0195927100000000, 0.0057957300000000 ] - [ -0.0000051700000000, 0.0197457200000000, 0.0058248600000000 ] - [ 0.0000051700000000, 0.0197457200000000, 0.0058248600000000 ] - [ 0.0000000000000000, 0.0197519300000000, 0.0058242600000000 ] - [ 0.0000000000000000, -0.0188387200000000, -0.0061030700000000 ] - [ 0.0001065900000000, -0.0193671600000000, -0.0063086100000000 ] - [ -0.0001065900000000, -0.0193671600000000, -0.0063086100000000 ] - [ 0.0000000000000000, -0.0196656800000000, -0.0057216000000000 ] - [ 0.0001036900000000, -0.0196489700000000, -0.0057774400000000 ] - [ -0.0001036900000000, -0.0196489700000000, -0.0057774400000000 ] - [ 0.0014265300000000, -0.0062659500000000, 0.0000000000000000 ] - [ -0.0014265300000000, -0.0062659500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0080484200000000, 0.0000000000000000 ] - [ 0.0000005000000000, -0.0079031800000000, 0.0000000000000000 ] - [ -0.0000005000000000, -0.0079031800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079000900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0082543000000000, -0.0003774700000000 ] - [ -0.0000719000000000, 0.0078764100000000, 0.0000388300000000 ] - [ 0.0000719000000000, 0.0078764100000000, 0.0000388300000000 ] - [ 0.0000000000000000, 0.0082543000000000, 0.0003774700000000 ] - [ -0.0000719000000000, 0.0078764100000000, -0.0000388300000000 ] - [ 0.0000719000000000, 0.0078764100000000, -0.0000388300000000 ] - [ 0.0000000000000000, -0.0071135300000000, 0.0000000000000000 ] - [ 0.0001265000000000, -0.0073927600000000, 0.0000000000000000 ] - [ -0.0001265000000000, -0.0073927600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0078946600000000, 0.0000000000000000 ] - [ 0.0000023300000000, -0.0078906200000000, 0.0000000000000000 ] - [ -0.0000023300000000, -0.0078906200000000, 0.0000000000000000 ] - [ 0.0000041700000000, 0.0079465800000000, 0.0000377700000000 ] - [ -0.0000041700000000, 0.0079465800000000, 0.0000377700000000 ] - [ 0.0000000000000000, 0.0079377400000000, 0.0000298300000000 ] - [ 0.0000041700000000, 0.0079465800000000, -0.0000377700000000 ] - [ -0.0000041700000000, 0.0079465800000000, -0.0000377700000000 ] - [ 0.0000000000000000, 0.0079377400000000, -0.0000298300000000 ] - [ 0.0000000000000000, 0.0002000000000000, -0.0000070100000000 ] - [ -0.0000925400000000, 0.0001163600000000, 0.0000093800000000 ] - [ 0.0000925400000000, 0.0001163600000000, 0.0000093800000000 ] - [ 0.0000000000000000, 0.0000244700000000, 0.0000147300000000 ] - [ -0.0000278800000000, 0.0000111300000000, -0.0000127800000000 ] - [ 0.0000278800000000, 0.0000111300000000, -0.0000127800000000 ] - [ 0.0000000000000000, 0.0002000000000000, 0.0000070100000000 ] - [ -0.0000925400000000, 0.0001163600000000, -0.0000093800000000 ] - [ 0.0000925400000000, 0.0001163600000000, -0.0000093800000000 ] - [ 0.0000000000000000, 0.0000244700000000, -0.0000147300000000 ] - [ -0.0000278800000000, 0.0000111300000000, 0.0000127800000000 ] - [ 0.0000278800000000, 0.0000111300000000, 0.0000127800000000 ] - [ 0.0024367400000000, -0.0037853300000000, 0.0027281200000000 ] - [ -0.0024367400000000, -0.0037853300000000, 0.0027281200000000 ] - [ 0.0000000000000000, -0.0002713400000000, 0.0005557100000000 ] - [ -0.0000789800000000, -0.0000919800000000, 0.0001235100000000 ] - [ 0.0000789800000000, -0.0000919800000000, 0.0001235100000000 ] - [ 0.0000000000000000, 0.0000349200000000, -0.0001334800000000 ] - [ 0.0024367400000000, -0.0037853300000000, -0.0027281200000000 ] - [ -0.0024367400000000, -0.0037853300000000, -0.0027281200000000 ] - [ 0.0000000000000000, -0.0002713400000000, -0.0005557100000000 ] - [ -0.0000789800000000, -0.0000919800000000, -0.0001235100000000 ] - [ 0.0000789800000000, -0.0000919800000000, -0.0001235100000000 ] - [ 0.0000000000000000, 0.0000349200000000, 0.0001334800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0344636500000000, 0.0000000000000000 ] - [ -0.0011801400000000, -0.0095112900000000, 0.0000000000000000 ] - [ 0.0011801400000000, -0.0095112900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119159200000000, 0.0000000000000000 ] - [ -0.0000066000000000, -0.0119076200000000, 0.0000000000000000 ] - [ 0.0000066000000000, -0.0119076200000000, 0.0000000000000000 ] - [ -0.0000084400000000, 0.0118824100000000, 0.0000500600000000 ] - [ 0.0000084400000000, 0.0118824100000000, 0.0000500600000000 ] - [ 0.0000000000000000, 0.0119404300000000, -0.0000302500000000 ] - [ -0.0000084400000000, 0.0118824100000000, -0.0000500600000000 ] - [ 0.0000084400000000, 0.0118824100000000, -0.0000500600000000 ] - [ 0.0000000000000000, 0.0119404300000000, 0.0000302500000000 ] - [ -0.0000641600000000, -0.0120392700000000, 0.0000000000000000 ] - [ 0.0000641600000000, -0.0120392700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0120330100000000, 0.0000000000000000 ] - [ -0.0000001200000000, -0.0119385500000000, 0.0000000000000000 ] - [ 0.0000001200000000, -0.0119385500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119363900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0124115300000000, -0.0000574900000000 ] - [ 0.0002372500000000, 0.0122381400000000, -0.0002639700000000 ] - [ -0.0002372500000000, 0.0122381400000000, -0.0002639700000000 ] - [ 0.0000000000000000, 0.0124115300000000, 0.0000574900000000 ] - [ 0.0002372500000000, 0.0122381400000000, 0.0002639700000000 ] - [ -0.0002372500000000, 0.0122381400000000, 0.0002639700000000 ] - [ 0.0000000000000000, 0.0066152600000000, -0.0224599600000000 ] - [ -0.0002145800000000, 0.0191330400000000, -0.0062616700000000 ] - [ 0.0002145800000000, 0.0191330400000000, -0.0062616700000000 ] - [ 0.0000000000000000, 0.0197337300000000, -0.0058252100000000 ] - [ -0.0000278100000000, 0.0197499300000000, -0.0058379200000000 ] - [ 0.0000278100000000, 0.0197499300000000, -0.0058379200000000 ] - [ 0.0000329000000000, -0.0197163600000000, 0.0058034800000000 ] - [ -0.0000329000000000, -0.0197163600000000, 0.0058034800000000 ] - [ 0.0000000000000000, -0.0197660700000000, 0.0058430600000000 ] - [ 0.0000364200000000, -0.0196004400000000, 0.0058582600000000 ] - [ -0.0000364200000000, -0.0196004400000000, 0.0058582600000000 ] - [ 0.0000000000000000, -0.0197673900000000, 0.0057983700000000 ] - [ 0.0003452400000000, -0.0070647600000000, -0.0000836300000000 ] - [ -0.0003452400000000, -0.0070647600000000, -0.0000836300000000 ] - [ 0.0000000000000000, -0.0066249900000000, 0.0002061500000000 ] - [ 0.0003452400000000, -0.0070647600000000, 0.0000836300000000 ] - [ -0.0003452400000000, -0.0070647600000000, 0.0000836300000000 ] - [ 0.0000000000000000, -0.0066249900000000, -0.0002061500000000 ] - [ 0.0000000000000000, 0.0067392500000000, 0.0000000000000000 ] - [ -0.0000777800000000, 0.0066489400000000, 0.0000000000000000 ] - [ 0.0000777800000000, 0.0066489400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065346900000000, 0.0000000000000000 ] - [ -0.0000054400000000, 0.0065311700000000, 0.0000000000000000 ] - [ 0.0000054400000000, 0.0065311700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0066152600000000, 0.0224599600000000 ] - [ -0.0002145800000000, 0.0191330400000000, 0.0062616700000000 ] - [ 0.0002145800000000, 0.0191330400000000, 0.0062616700000000 ] - [ 0.0000000000000000, 0.0197337300000000, 0.0058252100000000 ] - [ -0.0000278100000000, 0.0197499300000000, 0.0058379200000000 ] - [ 0.0000278100000000, 0.0197499300000000, 0.0058379200000000 ] - [ 0.0000364200000000, -0.0196004400000000, -0.0058582600000000 ] - [ -0.0000364200000000, -0.0196004400000000, -0.0058582600000000 ] - [ 0.0000000000000000, -0.0197673900000000, -0.0057983700000000 ] - [ 0.0000329000000000, -0.0197163600000000, -0.0058034800000000 ] - [ -0.0000329000000000, -0.0197163600000000, -0.0058034800000000 ] - [ 0.0000000000000000, -0.0197660700000000, -0.0058430600000000 ] - [ 0.0000251700000000, 0.0199418800000000, -0.0058675600000000 ] - [ -0.0000251700000000, 0.0199418800000000, -0.0058675600000000 ] - [ 0.0000000000000000, 0.0199220400000000, -0.0058498600000000 ] - [ 0.0000051800000000, 0.0197675200000000, -0.0058201100000000 ] - [ -0.0000051800000000, 0.0197675200000000, -0.0058201100000000 ] - [ 0.0000000000000000, 0.0197613100000000, -0.0058206900000000 ] - [ 0.0000000000000000, -0.0198489100000000, 0.0059224800000000 ] - [ -0.0001036800000000, -0.0198657100000000, 0.0058676600000000 ] - [ 0.0001036800000000, -0.0198657100000000, 0.0058676600000000 ] - [ 0.0000000000000000, -0.0206733400000000, 0.0055424800000000 ] - [ -0.0001078300000000, -0.0201494700000000, 0.0053367500000000 ] - [ 0.0001078300000000, -0.0201494700000000, 0.0053367500000000 ] - [ 0.0000000000000000, -0.0064716700000000, -0.0000122500000000 ] - [ -0.0000391800000000, -0.0064845900000000, 0.0000077800000000 ] - [ 0.0000391800000000, -0.0064845900000000, 0.0000077800000000 ] - [ 0.0000000000000000, -0.0064716700000000, 0.0000122500000000 ] - [ -0.0000391800000000, -0.0064845900000000, -0.0000077800000000 ] - [ 0.0000391800000000, -0.0064845900000000, -0.0000077800000000 ] - [ 0.0133907000000000, -0.0078687800000000, 0.0000000000000000 ] - [ -0.0133907000000000, -0.0078687800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0059172600000000, 0.0000000000000000 ] - [ 0.0000085900000000, 0.0064772700000000, 0.0000000000000000 ] - [ -0.0000085900000000, 0.0064772700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065354800000000, 0.0000000000000000 ] - [ 0.0000251700000000, 0.0199418800000000, 0.0058675600000000 ] - [ -0.0000251700000000, 0.0199418800000000, 0.0058675600000000 ] - [ 0.0000000000000000, 0.0199220400000000, 0.0058498600000000 ] - [ 0.0000051800000000, 0.0197675200000000, 0.0058201100000000 ] - [ -0.0000051800000000, 0.0197675200000000, 0.0058201100000000 ] - [ 0.0000000000000000, 0.0197613100000000, 0.0058206900000000 ] - [ 0.0000000000000000, -0.0206733400000000, -0.0055424800000000 ] - [ -0.0001078300000000, -0.0201494700000000, -0.0053367500000000 ] - [ 0.0001078300000000, -0.0201494700000000, -0.0053367500000000 ] - [ 0.0000000000000000, -0.0198489100000000, -0.0059224800000000 ] - [ -0.0001036800000000, -0.0198657100000000, -0.0058676600000000 ] - [ 0.0001036800000000, -0.0198657100000000, -0.0058676600000000 ] - [ -0.0014493000000000, -0.0095619300000000, 0.0000000000000000 ] - [ 0.0014493000000000, -0.0095619300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077527900000000, 0.0000000000000000 ] - [ -0.0000004900000000, -0.0078976300000000, 0.0000000000000000 ] - [ 0.0000004900000000, -0.0078976300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079007500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075456800000000, 0.0003753400000000 ] - [ 0.0000716700000000, 0.0079227500000000, -0.0000387600000000 ] - [ -0.0000716700000000, 0.0079227500000000, -0.0000387600000000 ] - [ 0.0000000000000000, 0.0075456800000000, -0.0003753400000000 ] - [ 0.0000716700000000, 0.0079227500000000, 0.0000387600000000 ] - [ -0.0000716700000000, 0.0079227500000000, 0.0000387600000000 ] - [ 0.0000000000000000, -0.0086834100000000, 0.0000000000000000 ] - [ -0.0001270800000000, -0.0084082100000000, 0.0000000000000000 ] - [ 0.0001270800000000, -0.0084082100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079056600000000, 0.0000000000000000 ] - [ -0.0000022600000000, -0.0079099300000000, 0.0000000000000000 ] - [ 0.0000022600000000, -0.0079099300000000, 0.0000000000000000 ] - [ -0.0000046400000000, 0.0078533500000000, -0.0000375500000000 ] - [ 0.0000046400000000, 0.0078533500000000, -0.0000375500000000 ] - [ 0.0000000000000000, 0.0078619500000000, -0.0000298400000000 ] - [ -0.0000046400000000, 0.0078533500000000, 0.0000375500000000 ] - [ 0.0000046400000000, 0.0078533500000000, 0.0000375500000000 ] - [ 0.0000000000000000, 0.0078619500000000, 0.0000298400000000 ] - [ 0.0000000000000000, -0.0002006400000000, 0.0000075100000000 ] - [ 0.0000926100000000, -0.0001175700000000, -0.0000094100000000 ] - [ -0.0000926100000000, -0.0001175700000000, -0.0000094100000000 ] - [ 0.0000000000000000, -0.0000248700000000, -0.0000146300000000 ] - [ 0.0000277200000000, -0.0000116600000000, 0.0000128500000000 ] - [ -0.0000277200000000, -0.0000116600000000, 0.0000128500000000 ] - [ 0.0000000000000000, -0.0002006400000000, -0.0000075100000000 ] - [ 0.0000926100000000, -0.0001175700000000, 0.0000094100000000 ] - [ -0.0000926100000000, -0.0001175700000000, 0.0000094100000000 ] - [ 0.0000000000000000, -0.0000248700000000, 0.0000146300000000 ] - [ 0.0000277200000000, -0.0000116600000000, -0.0000128500000000 ] - [ -0.0000277200000000, -0.0000116600000000, -0.0000128500000000 ] - [ -0.0024406200000000, 0.0037818100000000, -0.0027310100000000 ] - [ 0.0024406200000000, 0.0037818100000000, -0.0027310100000000 ] - [ 0.0000000000000000, 0.0002724900000000, -0.0005553700000000 ] - [ 0.0000788200000000, 0.0000915600000000, -0.0001241800000000 ] - [ -0.0000788200000000, 0.0000915600000000, -0.0001241800000000 ] - [ 0.0000000000000000, -0.0000356000000000, 0.0001337000000000 ] - [ -0.0024406200000000, 0.0037818100000000, 0.0027310100000000 ] - [ 0.0024406200000000, 0.0037818100000000, 0.0027310100000000 ] - [ 0.0000000000000000, 0.0002724900000000, 0.0005553700000000 ] - [ 0.0000788200000000, 0.0000915600000000, 0.0001241800000000 ] - [ -0.0000788200000000, 0.0000915600000000, 0.0001241800000000 ] - [ 0.0000000000000000, -0.0000356000000000, -0.0001337000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0110972100000000, -0.0655849100000000 ] - [ -0.0000011000000000, -0.0119319600000000, -0.0003260300000000 ] - [ 0.0000011000000000, -0.0119319600000000, -0.0003260300000000 ] - [ 0.0000000000000000, -0.0119326600000000, 0.0002460200000000 ] - [ 0.0000000500000000, -0.0119325500000000, 0.0001750300000000 ] - [ -0.0000000500000000, -0.0119325500000000, 0.0001750300000000 ] - [ -0.0000091500000000, 0.0118824300000000, 0.0001281400000000 ] - [ 0.0000091500000000, 0.0118824300000000, 0.0001281400000000 ] - [ 0.0000000000000000, 0.0119626500000000, 0.0000251900000000 ] - [ 0.0000092400000000, 0.0119826900000000, 0.0001279100000000 ] - [ -0.0000092400000000, 0.0119826900000000, 0.0001279100000000 ] - [ 0.0000000000000000, 0.0119022800000000, 0.0000250400000000 ] - [ -0.0000001000000000, -0.0119324300000000, -0.0001899100000000 ] - [ 0.0000001000000000, -0.0119324300000000, -0.0001899100000000 ] - [ 0.0000000000000000, -0.0119324900000000, -0.0001491200000000 ] - [ -0.0000005700000000, -0.0119323900000000, 0.0001230600000000 ] - [ 0.0000005700000000, -0.0119323900000000, 0.0001230600000000 ] - [ 0.0000000000000000, -0.0119324300000000, 0.0001031500000000 ] - [ 0.0000000000000000, 0.0119883800000000, 0.0004600400000000 ] - [ 0.0002781500000000, 0.0121955100000000, -0.0000273300000000 ] - [ -0.0002781500000000, 0.0121955100000000, -0.0000273300000000 ] - [ 0.0000000000000000, 0.0118718200000000, 0.0004584300000000 ] - [ -0.0002795100000000, 0.0116676900000000, -0.0000288200000000 ] - [ 0.0002795100000000, 0.0116676900000000, -0.0000288200000000 ] - [ 0.0000000000000000, 0.0392227500000000, 0.0225209800000000 ] - [ 0.0006412400000000, 0.0198878500000000, -0.0054407300000000 ] - [ -0.0006412400000000, 0.0198878500000000, -0.0054407300000000 ] - [ 0.0000000000000000, 0.0197675100000000, -0.0060854400000000 ] - [ -0.0000559500000000, 0.0197744900000000, -0.0060680700000000 ] - [ 0.0000559500000000, 0.0197744900000000, -0.0060680700000000 ] - [ 0.0000553600000000, -0.0196552000000000, 0.0056995900000000 ] - [ -0.0000553600000000, -0.0196552000000000, 0.0056995900000000 ] - [ 0.0000000000000000, -0.0197350900000000, 0.0057525300000000 ] - [ -0.0000795800000000, -0.0200456700000000, 0.0058111800000000 ] - [ 0.0000795800000000, -0.0200456700000000, 0.0058111800000000 ] - [ 0.0000000000000000, -0.0197831100000000, 0.0058674400000000 ] - [ 0.0003045200000000, -0.0067862700000000, -0.0006053300000000 ] - [ -0.0003045200000000, -0.0067862700000000, -0.0006053300000000 ] - [ 0.0000000000000000, -0.0066283900000000, -0.0000954500000000 ] - [ -0.0003055300000000, -0.0062628500000000, -0.0006043200000000 ] - [ 0.0003055300000000, -0.0062628500000000, -0.0006043200000000 ] - [ 0.0000000000000000, -0.0064233400000000, -0.0000949100000000 ] - [ 0.0000000000000000, 0.0065261100000000, 0.0002463400000000 ] - [ -0.0000001000000000, 0.0065260400000000, 0.0002134900000000 ] - [ 0.0000001000000000, 0.0065260400000000, 0.0002134900000000 ] - [ 0.0000000000000000, 0.0065259500000000, -0.0001695400000000 ] - [ 0.0000000000000000, 0.0065259700000000, -0.0001616200000000 ] - [ 0.0000000000000000, 0.0065259700000000, -0.0001616200000000 ] - [ 0.0000000000000000, -0.0004688600000000, 0.0351830800000000 ] - [ -0.0006431200000000, 0.0196257800000000, 0.0062042600000000 ] - [ 0.0006431200000000, 0.0196257800000000, 0.0062042600000000 ] - [ 0.0000000000000000, 0.0197470000000000, 0.0055591700000000 ] - [ 0.0000560000000000, 0.0197397000000000, 0.0055768400000000 ] - [ -0.0000560000000000, 0.0197397000000000, 0.0055768400000000 ] - [ 0.0000796600000000, -0.0194687300000000, -0.0058343900000000 ] - [ -0.0000796600000000, -0.0194687300000000, -0.0058343900000000 ] - [ 0.0000000000000000, -0.0197311500000000, -0.0057776300000000 ] - [ -0.0000556700000000, -0.0198594900000000, -0.0059454300000000 ] - [ 0.0000556700000000, -0.0198594900000000, -0.0059454300000000 ] - [ 0.0000000000000000, -0.0197790700000000, -0.0058922500000000 ] - [ -0.0000166900000000, 0.0197087700000000, -0.0056372100000000 ] - [ 0.0000166900000000, 0.0197087700000000, -0.0056372100000000 ] - [ 0.0000000000000000, 0.0197183100000000, -0.0056746300000000 ] - [ 0.0000062900000000, 0.0197649700000000, -0.0059437500000000 ] - [ -0.0000062900000000, 0.0197649700000000, -0.0059437500000000 ] - [ 0.0000000000000000, 0.0197656000000000, -0.0059454900000000 ] - [ 0.0000000000000000, -0.0197861600000000, 0.0054877800000000 ] - [ -0.0000967600000000, -0.0198371100000000, 0.0056749200000000 ] - [ 0.0000967600000000, -0.0198371100000000, 0.0056749200000000 ] - [ 0.0000000000000000, -0.0191147200000000, 0.0055120700000000 ] - [ 0.0003630200000000, -0.0192263700000000, 0.0061536400000000 ] - [ -0.0003630200000000, -0.0192263700000000, 0.0061536400000000 ] - [ 0.0000000000000000, -0.0065093900000000, -0.0000504700000000 ] - [ -0.0000659200000000, -0.0065002300000000, -0.0000493500000000 ] - [ 0.0000659200000000, -0.0065002300000000, -0.0000493500000000 ] - [ 0.0000000000000000, -0.0065429500000000, -0.0000502100000000 ] - [ 0.0000659600000000, -0.0065520100000000, -0.0000491300000000 ] - [ -0.0000659600000000, -0.0065520100000000, -0.0000491300000000 ] - [ 0.0000616400000000, 0.0064790500000000, 0.0009768900000000 ] - [ -0.0000616400000000, 0.0064790500000000, 0.0009768900000000 ] - [ 0.0000000000000000, 0.0065256800000000, 0.0004119100000000 ] - [ -0.0000000700000000, 0.0065262200000000, -0.0004553200000000 ] - [ 0.0000000700000000, 0.0065262200000000, -0.0004553200000000 ] - [ 0.0000000000000000, 0.0065259800000000, -0.0002594700000000 ] - [ 0.0000168200000000, 0.0198048800000000, 0.0060076400000000 ] - [ -0.0000168200000000, 0.0198048800000000, 0.0060076400000000 ] - [ 0.0000000000000000, 0.0197955800000000, 0.0059703100000000 ] - [ -0.0000062600000000, 0.0197489900000000, 0.0057013300000000 ] - [ 0.0000062600000000, 0.0197489900000000, 0.0057013300000000 ] - [ 0.0000000000000000, 0.0197483900000000, 0.0056996000000000 ] - [ 0.0000000000000000, -0.0203974200000000, -0.0061350000000000 ] - [ -0.0003653000000000, -0.0202878300000000, -0.0054949900000000 ] - [ 0.0003653000000000, -0.0202878300000000, -0.0054949900000000 ] - [ 0.0000000000000000, -0.0197268800000000, -0.0061559600000000 ] - [ 0.0000973300000000, -0.0196759700000000, -0.0059702400000000 ] - [ -0.0000973300000000, -0.0196759700000000, -0.0059702400000000 ] - [ 0.0000001700000000, -0.0078992600000000, -0.0013362100000000 ] - [ -0.0000001700000000, -0.0078992600000000, -0.0013362100000000 ] - [ 0.0000000000000000, -0.0079001800000000, -0.0002413900000000 ] - [ 0.0000000200000000, -0.0079001100000000, 0.0001094800000000 ] - [ -0.0000000200000000, -0.0079001100000000, 0.0001094800000000 ] - [ 0.0000000000000000, -0.0079001600000000, 0.0000878500000000 ] - [ 0.0000000000000000, 0.0074605000000000, 0.0007405000000000 ] - [ 0.0001010300000000, 0.0078242600000000, 0.0000777000000000 ] - [ -0.0001010300000000, 0.0078242600000000, 0.0000777000000000 ] - [ 0.0000000000000000, 0.0083435700000000, 0.0007434600000000 ] - [ -0.0001014700000000, 0.0079762400000000, 0.0000776200000000 ] - [ 0.0001014700000000, 0.0079762400000000, 0.0000776200000000 ] - [ 0.0000000000000000, -0.0078996200000000, -0.0003012000000000 ] - [ 0.0000001800000000, -0.0079000300000000, -0.0000641300000000 ] - [ -0.0000001800000000, -0.0079000300000000, -0.0000641300000000 ] - [ 0.0000000000000000, -0.0079000800000000, 0.0001357600000000 ] - [ 0.0000000400000000, -0.0079002000000000, 0.0001021100000000 ] - [ -0.0000000400000000, -0.0079002000000000, 0.0001021100000000 ] - [ -0.0000902200000000, 0.0080278500000000, 0.0000953900000000 ] - [ 0.0000902200000000, 0.0080278500000000, 0.0000953900000000 ] - [ 0.0000000000000000, 0.0079583100000000, 0.0000403900000000 ] - [ 0.0000896400000000, 0.0077729100000000, 0.0000946500000000 ] - [ -0.0000896400000000, 0.0077729100000000, 0.0000946500000000 ] - [ 0.0000000000000000, 0.0078421700000000, 0.0000401400000000 ] - [ 0.0000000000000000, -0.0002184900000000, -0.0002877200000000 ] - [ 0.0001636200000000, -0.0001101700000000, -0.0002194400000000 ] - [ -0.0001636200000000, -0.0001101700000000, -0.0002194400000000 ] - [ 0.0000000000000000, 0.0000581700000000, 0.0002211700000000 ] - [ -0.0000515200000000, 0.0000408500000000, 0.0001890500000000 ] - [ 0.0000515200000000, 0.0000408500000000, 0.0001890500000000 ] - [ 0.0000000000000000, 0.0002190000000000, -0.0002884300000000 ] - [ -0.0001635400000000, 0.0001104600000000, -0.0002197100000000 ] - [ 0.0001635400000000, 0.0001104600000000, -0.0002197100000000 ] - [ 0.0000000000000000, -0.0000578300000000, 0.0002213500000000 ] - [ 0.0000513400000000, -0.0000406500000000, 0.0001893300000000 ] - [ -0.0000513400000000, -0.0000406500000000, 0.0001893300000000 ] - [ -0.0053767800000000, 0.0034821300000000, 0.0017048200000000 ] - [ 0.0053767800000000, 0.0034821300000000, 0.0017048200000000 ] - [ 0.0000000000000000, 0.0003400200000000, -0.0001487600000000 ] - [ 0.0000717400000000, -0.0000513100000000, 0.0007023200000000 ] - [ -0.0000717400000000, -0.0000513100000000, 0.0007023200000000 ] - [ 0.0000000000000000, 0.0000404400000000, 0.0002903700000000 ] - [ 0.0053243300000000, -0.0034764100000000, 0.0016513000000000 ] - [ -0.0053243300000000, -0.0034764100000000, 0.0016513000000000 ] - [ 0.0000000000000000, -0.0003406600000000, -0.0001480100000000 ] - [ -0.0000721400000000, 0.0000507000000000, 0.0007013400000000 ] - [ 0.0000721400000000, 0.0000507000000000, 0.0007013400000000 ] - [ 0.0000000000000000, -0.0000402900000000, 0.0002907400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014109800000000, -0.0119546700000000, -0.0000521900000000 ] - [ -0.0007089600000000, -0.0121476600000000, -0.0006455000000000 ] - [ -0.0007116000000000, -0.0117199200000000, 0.0006391600000000 ] - [ 0.0000319100000000, -0.0119325200000000, 0.0000001800000000 ] - [ -0.0000051700000000, -0.0119603000000000, 0.0000563000000000 ] - [ -0.0000051400000000, -0.0119046800000000, -0.0000559900000000 ] - [ 0.0000044400000000, 0.0118996100000000, 0.0000556900000000 ] - [ 0.0000044000000000, 0.0119651900000000, -0.0000553400000000 ] - [ -0.0000107400000000, 0.0119324800000000, 0.0000000700000000 ] - [ 0.0000226000000000, 0.0118959000000000, -0.0000802200000000 ] - [ 0.0000225700000000, 0.0119686500000000, 0.0000795700000000 ] - [ -0.0000339100000000, 0.0119325300000000, 0.0000003100000000 ] - [ 0.0000650000000000, -0.0119074900000000, 0.0000167200000000 ] - [ 0.0000655800000000, -0.0119574900000000, -0.0000172800000000 ] - [ -0.0001532300000000, -0.0119324900000000, -0.0000004400000000 ] - [ 0.0000010500000000, -0.0119274100000000, -0.0000062900000000 ] - [ 0.0000010500000000, -0.0119375100000000, 0.0000063200000000 ] - [ -0.0000016800000000, -0.0119324500000000, 0.0000000400000000 ] - [ 0.0000011000000000, 0.0119328100000000, 0.0000005400000000 ] - [ 0.0000269600000000, 0.0120363800000000, -0.0000967300000000 ] - [ 0.0000265500000000, 0.0118285700000000, 0.0000970000000000 ] - [ 0.0006311900000000, 0.0119327500000000, 0.0000008900000000 ] - [ -0.0003471300000000, 0.0120402300000000, 0.0003660300000000 ] - [ -0.0003495500000000, 0.0118257600000000, -0.0003621600000000 ] - [ -0.0358009300000000, 0.0193984700000000, -0.0056927600000000 ] - [ 0.0049179000000000, 0.0199227400000000, -0.0055846100000000 ] - [ 0.0048755600000000, 0.0195897300000000, -0.0060564900000000 ] - [ -0.0000423600000000, 0.0197570500000000, -0.0058229000000000 ] - [ 0.0000214200000000, 0.0197647700000000, -0.0058517700000000 ] - [ 0.0000216400000000, 0.0197493800000000, -0.0057940700000000 ] - [ -0.0000057500000000, -0.0197470800000000, 0.0058064200000000 ] - [ -0.0000057900000000, -0.0197667400000000, 0.0058383000000000 ] - [ 0.0000135100000000, -0.0197570000000000, 0.0058223900000000 ] - [ -0.0000546100000000, -0.0196889100000000, 0.0059134100000000 ] - [ -0.0000550000000000, -0.0198234900000000, 0.0057328300000000 ] - [ 0.0000731100000000, -0.0197575800000000, 0.0058224200000000 ] - [ -0.0000428000000000, -0.0065245900000000, -0.0000973900000000 ] - [ -0.0000441000000000, -0.0065289600000000, 0.0000968400000000 ] - [ 0.0001367600000000, -0.0065259400000000, 0.0000008000000000 ] - [ 0.0002419100000000, -0.0069913300000000, 0.0022404300000000 ] - [ 0.0002408600000000, -0.0060631600000000, -0.0022443800000000 ] - [ 0.0003074000000000, -0.0065257500000000, -0.0000014600000000 ] - [ -0.0001422600000000, 0.0065264200000000, -0.0000006200000000 ] - [ 0.0001120500000000, 0.0064100400000000, -0.0000070700000000 ] - [ 0.0001129000000000, 0.0066424700000000, 0.0000060500000000 ] - [ -0.0000159900000000, 0.0065260600000000, -0.0000008000000000 ] - [ 0.0000085500000000, 0.0065247000000000, -0.0000043800000000 ] - [ 0.0000085500000000, 0.0065273900000000, 0.0000026500000000 ] - [ -0.0006601300000000, 0.0197537300000000, 0.0058111200000000 ] - [ 0.0002765400000000, 0.0198363300000000, 0.0061302800000000 ] - [ 0.0002782600000000, 0.0196780300000000, 0.0055165300000000 ] - [ -0.0001921100000000, 0.0197570400000000, 0.0058220400000000 ] - [ 0.0001288300000000, 0.0197486800000000, 0.0057151900000000 ] - [ 0.0001293600000000, 0.0197652900000000, 0.0059291600000000 ] - [ -0.0000182500000000, -0.0196931300000000, -0.0058799900000000 ] - [ -0.0000183900000000, -0.0198205000000000, -0.0057651600000000 ] - [ 0.0000422000000000, -0.0197570700000000, -0.0058223700000000 ] - [ -0.0000184100000000, -0.0197263000000000, -0.0057967400000000 ] - [ -0.0000182300000000, -0.0197882000000000, -0.0058483200000000 ] - [ 0.0000421700000000, -0.0197570700000000, -0.0058225500000000 ] - [ -0.0000561900000000, 0.0197066700000000, -0.0058575500000000 ] - [ -0.0000565700000000, 0.0198075900000000, -0.0057872000000000 ] - [ 0.0001779400000000, 0.0197569700000000, -0.0058221800000000 ] - [ -0.0000064500000000, 0.0197509800000000, -0.0058193800000000 ] - [ -0.0000061200000000, 0.0197629600000000, -0.0058259300000000 ] - [ 0.0000161700000000, 0.0197569600000000, -0.0058226700000000 ] - [ -0.0000325800000000, -0.0197570600000000, 0.0058221100000000 ] - [ 0.0000587200000000, -0.0197826200000000, 0.0058765900000000 ] - [ 0.0000590100000000, -0.0197316100000000, 0.0057672900000000 ] - [ -0.0014200400000000, -0.0197583700000000, 0.0058222600000000 ] - [ 0.0048103900000000, -0.0181543400000000, 0.0051118800000000 ] - [ 0.0047989400000000, -0.0213616000000000, 0.0065338000000000 ] - [ -0.0000477700000000, -0.0065261200000000, 0.0000005800000000 ] - [ 0.0000240300000000, -0.0065419700000000, 0.0000183700000000 ] - [ 0.0000240900000000, -0.0065102700000000, -0.0000171000000000 ] - [ -0.0000920900000000, -0.0065259000000000, 0.0000008300000000 ] - [ 0.0000648800000000, -0.0065419900000000, -0.0000412700000000 ] - [ 0.0000653000000000, -0.0065099600000000, 0.0000427000000000 ] - [ 0.0010589700000000, 0.0041842000000000, -0.0022010800000000 ] - [ 0.0010493700000000, 0.0088666000000000, 0.0022036100000000 ] - [ 0.0003764800000000, 0.0065260500000000, 0.0000018700000000 ] - [ -0.0000724600000000, 0.0064911500000000, 0.0001844000000000 ] - [ -0.0000724500000000, 0.0065607600000000, -0.0001869700000000 ] - [ 0.0000950400000000, 0.0065261300000000, -0.0000013600000000 ] - [ -0.0000477600000000, 0.0197050000000000, 0.0058075500000000 ] - [ -0.0000479600000000, 0.0198090100000000, 0.0058374700000000 ] - [ 0.0001059400000000, 0.0197569300000000, 0.0058225700000000 ] - [ -0.0000103400000000, 0.0197494100000000, 0.0058257700000000 ] - [ -0.0000103900000000, 0.0197645900000000, 0.0058189100000000 ] - [ 0.0000246100000000, 0.0197569500000000, 0.0058223400000000 ] - [ -0.0002599200000000, -0.0197576300000000, -0.0058226900000000 ] - [ 0.0002077300000000, -0.0198381800000000, -0.0055678500000000 ] - [ 0.0002096500000000, -0.0196760100000000, -0.0060786600000000 ] - [ -0.0002599100000000, -0.0197570800000000, -0.0058223600000000 ] - [ 0.0002083400000000, -0.0196448900000000, -0.0061362600000000 ] - [ 0.0002090500000000, -0.0198693700000000, -0.0055098700000000 ] - [ 0.0016679700000000, -0.0070145000000000, -0.0013018100000000 ] - [ 0.0016958500000000, -0.0088209300000000, 0.0013394900000000 ] - [ -0.0004243600000000, -0.0078987400000000, -0.0000015100000000 ] - [ 0.0000093200000000, -0.0079036500000000, -0.0000074800000000 ] - [ 0.0000093100000000, -0.0078964500000000, 0.0000082500000000 ] - [ -0.0000192400000000, -0.0079001000000000, 0.0000003100000000 ] - [ 0.0000188800000000, 0.0078992400000000, 0.0000004800000000 ] - [ -0.0000096300000000, 0.0079269500000000, -0.0000408400000000 ] - [ -0.0000098300000000, 0.0078728700000000, 0.0000403600000000 ] - [ 0.0000795800000000, 0.0079014000000000, 0.0000018500000000 ] - [ -0.0000807400000000, 0.0080463800000000, 0.0001483300000000 ] - [ -0.0000816400000000, 0.0077543200000000, -0.0001482500000000 ] - [ 0.0003259400000000, -0.0078998200000000, -0.0000001300000000 ] - [ -0.0001411400000000, -0.0081032900000000, -0.0000689300000000 ] - [ -0.0001415400000000, -0.0076968500000000, 0.0000682000000000 ] - [ 0.0000156000000000, -0.0079000200000000, 0.0000003700000000 ] - [ -0.0000087300000000, -0.0079263300000000, 0.0000266600000000 ] - [ -0.0000087400000000, -0.0078737800000000, -0.0000258200000000 ] - [ 0.0000194700000000, 0.0079133800000000, 0.0000160100000000 ] - [ 0.0000195000000000, 0.0078870900000000, -0.0000163000000000 ] - [ -0.0000395600000000, 0.0079002400000000, -0.0000001900000000 ] - [ 0.0001012400000000, 0.0079890700000000, -0.0000487800000000 ] - [ 0.0001014600000000, 0.0078100600000000, 0.0000489800000000 ] - [ -0.0002333400000000, 0.0078998800000000, -0.0000000200000000 ] - [ 0.0001570900000000, -0.0000001400000000, 0.0000001900000000 ] - [ -0.0000761400000000, 0.0000361400000000, -0.0000588300000000 ] - [ -0.0000764500000000, -0.0000361300000000, 0.0000584400000000 ] - [ 0.0000686500000000, 0.0000001000000000, 0.0000000400000000 ] - [ -0.0000318000000000, -0.0000017900000000, 0.0000341900000000 ] - [ -0.0000318200000000, 0.0000019100000000, -0.0000339500000000 ] - [ 0.0002542900000000, -0.0000004600000000, -0.0000002800000000 ] - [ -0.0001449100000000, 0.0000660200000000, 0.0000494200000000 ] - [ -0.0001463300000000, -0.0000663100000000, -0.0000497200000000 ] - [ 0.0000293300000000, -0.0000000800000000, 0.0000002200000000 ] - [ -0.0000158400000000, 0.0000021800000000, -0.0000113800000000 ] - [ -0.0000158800000000, -0.0000022800000000, 0.0000118200000000 ] - [ 0.0002908400000000, -0.0004138100000000, 0.0011989000000000 ] - [ 0.0003014600000000, 0.0004191200000000, -0.0011950900000000 ] - [ -0.0006755000000000, -0.0000001500000000, -0.0000016900000000 ] - [ 0.0003079500000000, 0.0002061900000000, -0.0006831100000000 ] - [ 0.0003081100000000, -0.0002055700000000, 0.0006829400000000 ] - [ -0.0004294900000000, -0.0000001400000000, 0.0000016800000000 ] - [ 0.0078160000000000, -0.0074818100000000, 0.0005487400000000 ] - [ 0.0081346500000000, 0.0079067700000000, -0.0006535100000000 ] - [ -0.0048296900000000, -0.0000015800000000, -0.0000010800000000 ] - [ 0.0000230100000000, -0.0000022300000000, -0.0000225700000000 ] - [ 0.0000225700000000, 0.0000021800000000, 0.0000246400000000 ] - [ -0.0000939800000000, -0.0000002500000000, 0.0000005000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0012154600000000, 0.0200511200000000 ] - [ -0.0003249900000000, -0.0113090800000000, 0.0001308500000000 ] - [ 0.0003249900000000, -0.0113090800000000, 0.0001308500000000 ] - [ 0.0000000000000000, -0.0119089900000000, 0.0000100700000000 ] - [ -0.0000011200000000, -0.0119262300000000, 0.0000172500000000 ] - [ 0.0000011200000000, -0.0119262300000000, 0.0000172500000000 ] - [ -0.0000109600000000, 0.0118913300000000, 0.0001018900000000 ] - [ 0.0000109600000000, 0.0118913300000000, 0.0001018900000000 ] - [ 0.0000000000000000, 0.0119412400000000, 0.0000222800000000 ] - [ 0.0000203500000000, 0.0117754800000000, -0.0002874700000000 ] - [ -0.0000203500000000, 0.0117754800000000, -0.0002874700000000 ] - [ 0.0000000000000000, 0.0119432200000000, -0.0000254700000000 ] - [ -0.0001478000000000, -0.0121169600000000, -0.0000483100000000 ] - [ 0.0001478000000000, -0.0121169600000000, -0.0000483100000000 ] - [ 0.0000000000000000, -0.0120964600000000, -0.0000388700000000 ] - [ 0.0000001900000000, -0.0119435900000000, 0.0000081400000000 ] - [ -0.0000001900000000, -0.0119435900000000, 0.0000081400000000 ] - [ 0.0000000000000000, -0.0119369400000000, 0.0000085600000000 ] - [ 0.0000000000000000, 0.0120244600000000, -0.0000285100000000 ] - [ 0.0000683300000000, 0.0120409300000000, -0.0000806000000000 ] - [ -0.0000683300000000, 0.0120409300000000, -0.0000806000000000 ] - [ 0.0000000000000000, 0.0128534700000000, 0.0006384200000000 ] - [ 0.0001424500000000, 0.0123241100000000, 0.0005311100000000 ] - [ -0.0001424500000000, 0.0123241100000000, 0.0005311100000000 ] - [ 0.0000000000000000, -0.0320571700000000, -0.0193053100000000 ] - [ -0.0001673000000000, 0.0183762800000000, -0.0057446000000000 ] - [ 0.0001673000000000, 0.0183762800000000, -0.0057446000000000 ] - [ 0.0000000000000000, 0.0197321100000000, -0.0058362500000000 ] - [ -0.0000076700000000, 0.0197418300000000, -0.0058435700000000 ] - [ 0.0000076700000000, 0.0197418300000000, -0.0058435700000000 ] - [ 0.0000098700000000, -0.0197613000000000, 0.0057771300000000 ] - [ -0.0000098700000000, -0.0197613000000000, 0.0057771300000000 ] - [ 0.0000000000000000, -0.0197758100000000, 0.0058044200000000 ] - [ 0.0000674200000000, -0.0193294600000000, 0.0060770900000000 ] - [ -0.0000674200000000, -0.0193294600000000, 0.0060770900000000 ] - [ 0.0000000000000000, -0.0197318800000000, 0.0058573700000000 ] - [ 0.0000547600000000, -0.0066304800000000, 0.0000730400000000 ] - [ -0.0000547600000000, -0.0066304800000000, 0.0000730400000000 ] - [ 0.0000000000000000, -0.0066248800000000, 0.0000309700000000 ] - [ 0.0000749900000000, -0.0074078100000000, -0.0005095200000000 ] - [ -0.0000749900000000, -0.0074078100000000, -0.0005095200000000 ] - [ 0.0000000000000000, -0.0067324200000000, -0.0001087600000000 ] - [ 0.0000000000000000, 0.0068883000000000, -0.0000088900000000 ] - [ -0.0001178600000000, 0.0067802100000000, -0.0000010600000000 ] - [ 0.0001178600000000, 0.0067802100000000, -0.0000010600000000 ] - [ 0.0000000000000000, 0.0065422100000000, 0.0000073500000000 ] - [ -0.0000101300000000, 0.0065345200000000, 0.0000089400000000 ] - [ 0.0000101300000000, 0.0065345200000000, 0.0000089400000000 ] - [ 0.0000000000000000, 0.0188306800000000, 0.0048982300000000 ] - [ -0.0000799200000000, 0.0193466900000000, 0.0058548900000000 ] - [ 0.0000799200000000, 0.0193466900000000, 0.0058548900000000 ] - [ 0.0000000000000000, 0.0196727200000000, 0.0057959000000000 ] - [ 0.0000080800000000, 0.0197036600000000, 0.0057614800000000 ] - [ -0.0000080800000000, 0.0197036600000000, 0.0057614800000000 ] - [ 0.0000309000000000, -0.0196484400000000, -0.0059382700000000 ] - [ -0.0000309000000000, -0.0196484400000000, -0.0059382700000000 ] - [ 0.0000000000000000, -0.0197586600000000, -0.0058561800000000 ] - [ 0.0000631900000000, -0.0196490200000000, -0.0057162400000000 ] - [ -0.0000631900000000, -0.0196490200000000, -0.0057162400000000 ] - [ 0.0000000000000000, -0.0197586200000000, -0.0058062700000000 ] - [ 0.0000504900000000, 0.0201572500000000, -0.0057807000000000 ] - [ -0.0000504900000000, 0.0201572500000000, -0.0057807000000000 ] - [ 0.0000000000000000, 0.0201011200000000, -0.0057369800000000 ] - [ 0.0000058000000000, 0.0197812400000000, -0.0058361100000000 ] - [ -0.0000058000000000, 0.0197812400000000, -0.0058361100000000 ] - [ 0.0000000000000000, 0.0197794900000000, -0.0058282000000000 ] - [ 0.0000000000000000, -0.0197534600000000, 0.0058376600000000 ] - [ -0.0000257400000000, -0.0197569400000000, 0.0058680500000000 ] - [ 0.0000257400000000, -0.0197569400000000, 0.0058680500000000 ] - [ 0.0000000000000000, -0.0152684900000000, 0.0036332500000000 ] - [ 0.0015988200000000, -0.0181719900000000, 0.0050796800000000 ] - [ -0.0015988200000000, -0.0181719900000000, 0.0050796800000000 ] - [ 0.0000000000000000, -0.0064585300000000, -0.0000983500000000 ] - [ -0.0000309300000000, -0.0064877200000000, -0.0000585900000000 ] - [ 0.0000309300000000, -0.0064877200000000, -0.0000585900000000 ] - [ 0.0000000000000000, -0.0062944000000000, 0.0001386300000000 ] - [ -0.0001276200000000, -0.0063214700000000, 0.0001249400000000 ] - [ 0.0001276200000000, -0.0063214700000000, 0.0001249400000000 ] - [ -0.0019791000000000, 0.0081366100000000, 0.0021152200000000 ] - [ 0.0019791000000000, 0.0081366100000000, 0.0021152200000000 ] - [ 0.0000000000000000, 0.0062381300000000, -0.0000077600000000 ] - [ 0.0000292100000000, 0.0064937600000000, -0.0000081700000000 ] - [ -0.0000292100000000, 0.0064937600000000, -0.0000081700000000 ] - [ 0.0000000000000000, 0.0065134300000000, -0.0000181700000000 ] - [ 0.0000517700000000, 0.0199505300000000, 0.0057874500000000 ] - [ -0.0000517700000000, 0.0199505300000000, 0.0057874500000000 ] - [ 0.0000000000000000, 0.0199291200000000, 0.0057932800000000 ] - [ 0.0000076500000000, 0.0198232300000000, 0.0058335200000000 ] - [ -0.0000076500000000, 0.0198232300000000, 0.0058335200000000 ] - [ 0.0000000000000000, 0.0198069400000000, 0.0058452300000000 ] - [ 0.0000000000000000, -0.0199421500000000, -0.0056862900000000 ] - [ 0.0001113100000000, -0.0199290300000000, -0.0055675100000000 ] - [ -0.0001113100000000, -0.0199290300000000, -0.0055675100000000 ] - [ 0.0000000000000000, -0.0199425900000000, -0.0060664100000000 ] - [ -0.0000810900000000, -0.0199293800000000, -0.0058963500000000 ] - [ 0.0000810900000000, -0.0199293800000000, -0.0058963500000000 ] - [ 0.0007566100000000, -0.0070838600000000, -0.0008680200000000 ] - [ -0.0007566100000000, -0.0070838600000000, -0.0008680200000000 ] - [ 0.0000000000000000, -0.0078217900000000, 0.0000035500000000 ] - [ -0.0000036600000000, -0.0078386200000000, -0.0000028800000000 ] - [ 0.0000036600000000, -0.0078386200000000, -0.0000028800000000 ] - [ 0.0000000000000000, -0.0078447100000000, 0.0000043600000000 ] - [ 0.0000000000000000, 0.0079111200000000, 0.0000908400000000 ] - [ 0.0000203000000000, 0.0079641500000000, 0.0000166400000000 ] - [ -0.0000203000000000, 0.0079641500000000, 0.0000166400000000 ] - [ 0.0000000000000000, 0.0079197900000000, -0.0000356200000000 ] - [ 0.0001377300000000, 0.0080001300000000, -0.0000986200000000 ] - [ -0.0001377300000000, 0.0080001300000000, -0.0000986200000000 ] - [ 0.0000000000000000, -0.0083565100000000, -0.0002169900000000 ] - [ -0.0000661400000000, -0.0081669800000000, -0.0000873100000000 ] - [ 0.0000661400000000, -0.0081669800000000, -0.0000873100000000 ] - [ 0.0000000000000000, -0.0079629500000000, 0.0000242700000000 ] - [ -0.0000024300000000, -0.0079552500000000, 0.0000062000000000 ] - [ 0.0000024300000000, -0.0079552500000000, 0.0000062000000000 ] - [ -0.0000087100000000, 0.0078219500000000, -0.0000010300000000 ] - [ 0.0000087100000000, 0.0078219500000000, -0.0000010300000000 ] - [ 0.0000000000000000, 0.0078220000000000, 0.0000024800000000 ] - [ 0.0001237000000000, 0.0075529300000000, 0.0003276900000000 ] - [ -0.0001237000000000, 0.0075529300000000, 0.0003276900000000 ] - [ 0.0000000000000000, 0.0076552500000000, 0.0002715100000000 ] - [ 0.0000000000000000, -0.0001825500000000, 0.0002225600000000 ] - [ 0.0000670400000000, -0.0000888400000000, 0.0001047100000000 ] - [ -0.0000670400000000, -0.0000888400000000, 0.0001047100000000 ] - [ 0.0000000000000000, -0.0000913100000000, -0.0001088700000000 ] - [ 0.0000647000000000, -0.0000476600000000, -0.0000775800000000 ] - [ -0.0000647000000000, -0.0000476600000000, -0.0000775800000000 ] - [ 0.0000000000000000, -0.0006528100000000, -0.0000131900000000 ] - [ 0.0002974300000000, -0.0003292600000000, -0.0000267900000000 ] - [ -0.0002974300000000, -0.0003292600000000, -0.0000267900000000 ] - [ 0.0000000000000000, -0.0000079500000000, 0.0000648800000000 ] - [ 0.0000153400000000, -0.0000047900000000, 0.0000389100000000 ] - [ -0.0000153400000000, -0.0000047900000000, 0.0000389100000000 ] - [ -0.0002692500000000, 0.0009003800000000, -0.0010042100000000 ] - [ 0.0002692500000000, 0.0009003800000000, -0.0010042100000000 ] - [ 0.0000000000000000, 0.0002841400000000, -0.0000165100000000 ] - [ 0.0000957500000000, 0.0001132100000000, 0.0000036900000000 ] - [ -0.0000957500000000, 0.0001132100000000, 0.0000036900000000 ] - [ 0.0000000000000000, 0.0000212700000000, 0.0001219300000000 ] - [ -0.0102896100000000, 0.0135771400000000, -0.0021673700000000 ] - [ 0.0102896100000000, 0.0135771400000000, -0.0021673700000000 ] - [ 0.0000000000000000, 0.0014057200000000, -0.0003524500000000 ] - [ -0.0000251100000000, 0.0000096500000000, 0.0000212700000000 ] - [ 0.0000251100000000, 0.0000096500000000, 0.0000212700000000 ] - [ 0.0000000000000000, 0.0000045500000000, -0.0000166400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0249934000000000, -0.0196320600000000 ] - [ 0.0003283300000000, -0.0125576500000000, -0.0001312400000000 ] - [ -0.0003283300000000, -0.0125576500000000, -0.0001312400000000 ] - [ 0.0000000000000000, -0.0119563300000000, -0.0000097500000000 ] - [ 0.0000009200000000, -0.0119386800000000, -0.0000175000000000 ] - [ -0.0000009200000000, -0.0119386800000000, -0.0000175000000000 ] - [ 0.0000111200000000, 0.0119735900000000, -0.0001022400000000 ] - [ -0.0000111200000000, 0.0119735900000000, -0.0001022400000000 ] - [ 0.0000000000000000, 0.0119235700000000, -0.0000223200000000 ] - [ -0.0000202400000000, 0.0120896100000000, 0.0002896400000000 ] - [ 0.0000202400000000, 0.0120896100000000, 0.0002896400000000 ] - [ 0.0000000000000000, 0.0119210100000000, 0.0000261700000000 ] - [ 0.0001485500000000, -0.0117471900000000, 0.0000471400000000 ] - [ -0.0001485500000000, -0.0117471900000000, 0.0000471400000000 ] - [ 0.0000000000000000, -0.0117676800000000, 0.0000380000000000 ] - [ -0.0000001700000000, -0.0119214500000000, -0.0000079000000000 ] - [ 0.0000001700000000, -0.0119214500000000, -0.0000079000000000 ] - [ 0.0000000000000000, -0.0119280800000000, -0.0000084600000000 ] - [ 0.0000000000000000, 0.0118406700000000, 0.0000300600000000 ] - [ -0.0000676800000000, 0.0118243800000000, 0.0000807500000000 ] - [ 0.0000676800000000, 0.0118243800000000, 0.0000807500000000 ] - [ 0.0000000000000000, 0.0110189200000000, -0.0006445100000000 ] - [ -0.0001431900000000, 0.0115425300000000, -0.0005298300000000 ] - [ 0.0001431900000000, 0.0115425300000000, -0.0005298300000000 ] - [ 0.0000000000000000, 0.0709560500000000, 0.0073940700000000 ] - [ 0.0001658400000000, 0.0211393200000000, -0.0058979400000000 ] - [ -0.0001658400000000, 0.0211393200000000, -0.0058979400000000 ] - [ 0.0000000000000000, 0.0197819500000000, -0.0058091900000000 ] - [ 0.0000075600000000, 0.0197723400000000, -0.0058016800000000 ] - [ -0.0000075600000000, 0.0197723400000000, -0.0058016800000000 ] - [ -0.0000098500000000, -0.0197519600000000, 0.0058678200000000 ] - [ 0.0000098500000000, -0.0197519600000000, 0.0058678200000000 ] - [ 0.0000000000000000, -0.0197377700000000, 0.0058404800000000 ] - [ -0.0000672200000000, -0.0201856100000000, 0.0055663900000000 ] - [ 0.0000672200000000, -0.0201856100000000, 0.0055663900000000 ] - [ 0.0000000000000000, -0.0197815000000000, 0.0057874200000000 ] - [ -0.0000530200000000, -0.0064235200000000, -0.0000739800000000 ] - [ 0.0000530200000000, -0.0064235200000000, -0.0000739800000000 ] - [ 0.0000000000000000, -0.0064275200000000, -0.0000298400000000 ] - [ -0.0000693300000000, -0.0056484000000000, 0.0005239000000000 ] - [ 0.0000693300000000, -0.0056484000000000, 0.0005239000000000 ] - [ 0.0000000000000000, -0.0063195600000000, 0.0001107800000000 ] - [ 0.0000000000000000, 0.0061639000000000, 0.0000079900000000 ] - [ 0.0001183700000000, 0.0062716100000000, 0.0000006600000000 ] - [ -0.0001183700000000, 0.0062716100000000, 0.0000006600000000 ] - [ 0.0000000000000000, 0.0065102900000000, -0.0000093900000000 ] - [ 0.0000102700000000, 0.0065179800000000, -0.0000109800000000 ] - [ -0.0000102700000000, 0.0065179800000000, -0.0000109800000000 ] - [ 0.0000000000000000, 0.0206830800000000, 0.0067223900000000 ] - [ 0.0000786900000000, 0.0201695100000000, 0.0057906200000000 ] - [ -0.0000786900000000, 0.0201695100000000, 0.0057906200000000 ] - [ 0.0000000000000000, 0.0198416500000000, 0.0058485600000000 ] - [ -0.0000085400000000, 0.0198102100000000, 0.0058841500000000 ] - [ 0.0000085400000000, 0.0198102100000000, 0.0058841500000000 ] - [ -0.0000310200000000, -0.0198652000000000, -0.0057057000000000 ] - [ 0.0000310200000000, -0.0198652000000000, -0.0057057000000000 ] - [ 0.0000000000000000, -0.0197550100000000, -0.0057880000000000 ] - [ -0.0000640700000000, -0.0198658200000000, -0.0059299200000000 ] - [ 0.0000640700000000, -0.0198658200000000, -0.0059299200000000 ] - [ 0.0000000000000000, -0.0197548700000000, -0.0058391100000000 ] - [ -0.0000506500000000, 0.0193549500000000, -0.0058633100000000 ] - [ 0.0000506500000000, 0.0193549500000000, -0.0058633100000000 ] - [ 0.0000000000000000, 0.0194104900000000, -0.0059082800000000 ] - [ -0.0000061700000000, 0.0197322100000000, -0.0058090600000000 ] - [ 0.0000061700000000, 0.0197322100000000, -0.0058090600000000 ] - [ 0.0000000000000000, 0.0197339600000000, -0.0058170000000000 ] - [ 0.0000000000000000, -0.0197607900000000, 0.0058065000000000 ] - [ 0.0000252600000000, -0.0197576500000000, 0.0057761400000000 ] - [ -0.0000252600000000, -0.0197576500000000, 0.0057761400000000 ] - [ 0.0000000000000000, -0.0241759800000000, 0.0079846100000000 ] - [ -0.0016085000000000, -0.0213370200000000, 0.0065691500000000 ] - [ 0.0016085000000000, -0.0213370200000000, 0.0065691500000000 ] - [ 0.0000000000000000, -0.0065946300000000, 0.0001005900000000 ] - [ 0.0000310400000000, -0.0065651400000000, 0.0000605100000000 ] - [ -0.0000310400000000, -0.0065651400000000, 0.0000605100000000 ] - [ 0.0000000000000000, -0.0067588700000000, -0.0001385600000000 ] - [ 0.0001290600000000, -0.0067321600000000, -0.0001250000000000 ] - [ -0.0001290600000000, -0.0067321600000000, -0.0001250000000000 ] - [ 0.0019649000000000, 0.0049214100000000, -0.0021072500000000 ] - [ -0.0019649000000000, 0.0049214100000000, -0.0021072500000000 ] - [ 0.0000000000000000, 0.0068156400000000, 0.0000064100000000 ] - [ -0.0000295500000000, 0.0065584200000000, 0.0000070000000000 ] - [ 0.0000295500000000, 0.0065584200000000, 0.0000070000000000 ] - [ 0.0000000000000000, 0.0065391700000000, 0.0000166800000000 ] - [ -0.0000520600000000, 0.0195620500000000, 0.0058584300000000 ] - [ 0.0000520600000000, 0.0195620500000000, 0.0058584300000000 ] - [ 0.0000000000000000, 0.0195837000000000, 0.0058524900000000 ] - [ -0.0000077300000000, 0.0196899500000000, 0.0058105700000000 ] - [ 0.0000077300000000, 0.0196899500000000, 0.0058105700000000 ] - [ 0.0000000000000000, 0.0197061000000000, 0.0057989700000000 ] - [ 0.0000000000000000, -0.0195725500000000, -0.0059595400000000 ] - [ -0.0001130800000000, -0.0195849500000000, -0.0060782000000000 ] - [ 0.0001130800000000, -0.0195849500000000, -0.0060782000000000 ] - [ 0.0000000000000000, -0.0195728100000000, -0.0055773600000000 ] - [ 0.0000810300000000, -0.0195852800000000, -0.0057481500000000 ] - [ -0.0000810300000000, -0.0195852800000000, -0.0057481500000000 ] - [ -0.0007896700000000, -0.0087385300000000, 0.0008967000000000 ] - [ 0.0007896700000000, -0.0087385300000000, 0.0008967000000000 ] - [ 0.0000000000000000, -0.0079804700000000, -0.0000034900000000 ] - [ 0.0000037600000000, -0.0079632300000000, 0.0000037000000000 ] - [ -0.0000037600000000, -0.0079632300000000, 0.0000037000000000 ] - [ 0.0000000000000000, -0.0079572500000000, -0.0000037300000000 ] - [ 0.0000000000000000, 0.0078870300000000, -0.0000898300000000 ] - [ -0.0000201500000000, 0.0078355100000000, -0.0000171300000000 ] - [ 0.0000201500000000, 0.0078355100000000, -0.0000171300000000 ] - [ 0.0000000000000000, 0.0078793800000000, 0.0000248900000000 ] - [ -0.0001392900000000, 0.0077990400000000, 0.0000993400000000 ] - [ 0.0001392900000000, 0.0077990400000000, 0.0000993400000000 ] - [ 0.0000000000000000, -0.0074417500000000, 0.0002161200000000 ] - [ 0.0000667000000000, -0.0076314100000000, 0.0000876000000000 ] - [ -0.0000667000000000, -0.0076314100000000, 0.0000876000000000 ] - [ 0.0000000000000000, -0.0078370700000000, -0.0000236000000000 ] - [ 0.0000024400000000, -0.0078448100000000, -0.0000055200000000 ] - [ -0.0000024400000000, -0.0078448100000000, -0.0000055200000000 ] - [ 0.0000086300000000, 0.0079800200000000, 0.0000007000000000 ] - [ -0.0000086300000000, 0.0079800200000000, 0.0000007000000000 ] - [ 0.0000000000000000, 0.0079799300000000, -0.0000029400000000 ] - [ -0.0001224800000000, 0.0082482100000000, -0.0003262800000000 ] - [ 0.0001224800000000, 0.0082482100000000, -0.0003262800000000 ] - [ 0.0000000000000000, 0.0081467500000000, -0.0002714800000000 ] - [ 0.0000000000000000, 0.0001831700000000, -0.0002250800000000 ] - [ -0.0000672900000000, 0.0000890000000000, -0.0001064700000000 ] - [ 0.0000672900000000, 0.0000890000000000, -0.0001064700000000 ] - [ 0.0000000000000000, 0.0000919200000000, 0.0001111900000000 ] - [ -0.0000655100000000, 0.0000479600000000, 0.0000792600000000 ] - [ 0.0000655100000000, 0.0000479600000000, 0.0000792600000000 ] - [ 0.0000000000000000, 0.0006545900000000, 0.0000126900000000 ] - [ -0.0002997500000000, 0.0003302300000000, 0.0000268600000000 ] - [ 0.0002997500000000, 0.0003302300000000, 0.0000268600000000 ] - [ 0.0000000000000000, 0.0000076300000000, -0.0000647900000000 ] - [ -0.0000154500000000, 0.0000045400000000, -0.0000386300000000 ] - [ 0.0000154500000000, 0.0000045400000000, -0.0000386300000000 ] - [ 0.0002592300000000, -0.0008958000000000, 0.0010087800000000 ] - [ -0.0002592300000000, -0.0008958000000000, 0.0010087800000000 ] - [ 0.0000000000000000, -0.0002855200000000, 0.0000161300000000 ] - [ -0.0000946100000000, -0.0001119700000000, -0.0000060800000000 ] - [ 0.0000946100000000, -0.0001119700000000, -0.0000060800000000 ] - [ 0.0000000000000000, -0.0000210600000000, -0.0001218100000000 ] - [ 0.0098789200000000, -0.0133360000000000, 0.0020627300000000 ] - [ -0.0098789200000000, -0.0133360000000000, 0.0020627300000000 ] - [ 0.0000000000000000, -0.0014066400000000, 0.0003522600000000 ] - [ 0.0000253600000000, -0.0000092400000000, -0.0000196800000000 ] - [ -0.0000253600000000, -0.0000092400000000, -0.0000196800000000 ] - [ 0.0000000000000000, -0.0000052400000000, 0.0000170500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0049154600000000, 0.0293686000000000 ] - [ -0.0006273400000000, -0.0114940600000000, 0.0003823200000000 ] - [ 0.0006273400000000, -0.0114940600000000, 0.0003823200000000 ] - [ 0.0000000000000000, -0.0119299500000000, -0.0002624200000000 ] - [ -0.0000047500000000, -0.0119171500000000, -0.0002452700000000 ] - [ 0.0000047500000000, -0.0119171500000000, -0.0002452700000000 ] - [ 0.0000046600000000, 0.0119514600000000, -0.0001229900000000 ] - [ -0.0000046600000000, 0.0119514600000000, -0.0001229900000000 ] - [ 0.0000000000000000, 0.0119121400000000, -0.0000699000000000 ] - [ -0.0000194500000000, 0.0118970500000000, -0.0000116300000000 ] - [ 0.0000194500000000, 0.0118970500000000, -0.0000116300000000 ] - [ 0.0000000000000000, 0.0119566200000000, 0.0000456500000000 ] - [ 0.0000386200000000, -0.0118869200000000, 0.0001850700000000 ] - [ -0.0000386200000000, -0.0118869200000000, 0.0001850700000000 ] - [ 0.0000000000000000, -0.0119049800000000, 0.0001481000000000 ] - [ 0.0000000800000000, -0.0119347300000000, -0.0001213300000000 ] - [ -0.0000000800000000, -0.0119347300000000, -0.0001213300000000 ] - [ 0.0000000000000000, -0.0119342600000000, -0.0001220300000000 ] - [ 0.0000000000000000, 0.0118320200000000, -0.0003332600000000 ] - [ -0.0000468200000000, 0.0118868200000000, -0.0001472900000000 ] - [ 0.0000468200000000, 0.0118868200000000, -0.0001472900000000 ] - [ 0.0000000000000000, 0.0122138300000000, -0.0003153300000000 ] - [ 0.0004211400000000, 0.0124151700000000, 0.0003245600000000 ] - [ -0.0004211400000000, 0.0124151700000000, 0.0003245600000000 ] - [ 0.0000000000000000, 0.0060904700000000, -0.0539929800000000 ] - [ -0.0002391500000000, 0.0198324800000000, -0.0068520000000000 ] - [ 0.0002391500000000, 0.0198324800000000, -0.0068520000000000 ] - [ 0.0000000000000000, 0.0197435200000000, -0.0055201900000000 ] - [ 0.0000288900000000, 0.0197361100000000, -0.0054963400000000 ] - [ -0.0000288900000000, 0.0197361100000000, -0.0054963400000000 ] - [ -0.0000160100000000, -0.0198024200000000, 0.0059493200000000 ] - [ 0.0000160100000000, -0.0198024200000000, 0.0059493200000000 ] - [ 0.0000000000000000, -0.0197750800000000, 0.0059277800000000 ] - [ 0.0000898000000000, -0.0195028300000000, 0.0056992900000000 ] - [ -0.0000898000000000, -0.0195028300000000, 0.0056992900000000 ] - [ 0.0000000000000000, -0.0197221700000000, 0.0057063000000000 ] - [ -0.0002446500000000, -0.0063595900000000, 0.0005970100000000 ] - [ 0.0002446500000000, -0.0063595900000000, 0.0005970100000000 ] - [ 0.0000000000000000, -0.0065801200000000, 0.0002720300000000 ] - [ 0.0014593800000000, -0.0076401100000000, 0.0020099400000000 ] - [ -0.0014593800000000, -0.0076401100000000, 0.0020099400000000 ] - [ 0.0000000000000000, -0.0065425500000000, -0.0000702200000000 ] - [ 0.0000000000000000, 0.0064021900000000, -0.0002094200000000 ] - [ 0.0000671600000000, 0.0063950100000000, -0.0001853900000000 ] - [ -0.0000671600000000, 0.0063950100000000, -0.0001853900000000 ] - [ 0.0000000000000000, 0.0065309200000000, 0.0001554000000000 ] - [ -0.0000011200000000, 0.0065317300000000, 0.0001540000000000 ] - [ 0.0000011200000000, 0.0065317300000000, 0.0001540000000000 ] - [ 0.0000000000000000, 0.0206691900000000, 0.0100795600000000 ] - [ 0.0003067800000000, 0.0197250500000000, 0.0057550400000000 ] - [ -0.0003067800000000, 0.0197250500000000, 0.0057550400000000 ] - [ 0.0000000000000000, 0.0197831400000000, 0.0061569300000000 ] - [ -0.0001068100000000, 0.0198184500000000, 0.0061858000000000 ] - [ 0.0001068100000000, 0.0198184500000000, 0.0061858000000000 ] - [ -0.0000258100000000, -0.0198638200000000, -0.0057519400000000 ] - [ 0.0000258100000000, -0.0198638200000000, -0.0057519400000000 ] - [ 0.0000000000000000, -0.0197735000000000, -0.0058002200000000 ] - [ 0.0000569900000000, -0.0196414200000000, -0.0057518100000000 ] - [ -0.0000569900000000, -0.0196414200000000, -0.0057518100000000 ] - [ 0.0000000000000000, -0.0197230300000000, -0.0057997600000000 ] - [ 0.0000350300000000, 0.0197977800000000, -0.0061025000000000 ] - [ -0.0000350300000000, 0.0197977800000000, -0.0061025000000000 ] - [ 0.0000000000000000, 0.0198416800000000, -0.0061516200000000 ] - [ -0.0000034500000000, 0.0197435100000000, -0.0056917200000000 ] - [ 0.0000034500000000, 0.0197435100000000, -0.0056917200000000 ] - [ 0.0000000000000000, 0.0197514700000000, -0.0056872400000000 ] - [ 0.0000000000000000, -0.0197412700000000, 0.0061531400000000 ] - [ 0.0000547300000000, -0.0197109000000000, 0.0061645700000000 ] - [ -0.0000547300000000, -0.0197109000000000, 0.0061645700000000 ] - [ 0.0000000000000000, -0.0219362300000000, 0.0057169200000000 ] - [ -0.0007177100000000, -0.0205091500000000, 0.0062352200000000 ] - [ 0.0007177100000000, -0.0205091500000000, 0.0062352200000000 ] - [ 0.0000000000000000, -0.0065392000000000, 0.0001154700000000 ] - [ 0.0000219700000000, -0.0065222500000000, 0.0001070200000000 ] - [ -0.0000219700000000, -0.0065222500000000, 0.0001070200000000 ] - [ 0.0000000000000000, -0.0065558600000000, -0.0000417300000000 ] - [ -0.0000502300000000, -0.0065524000000000, -0.0000549000000000 ] - [ 0.0000502300000000, -0.0065524000000000, -0.0000549000000000 ] - [ -0.0020972100000000, 0.0089689800000000, 0.0007991900000000 ] - [ 0.0020972100000000, 0.0089689800000000, 0.0007991900000000 ] - [ 0.0000000000000000, 0.0063913800000000, -0.0004911000000000 ] - [ 0.0000046600000000, 0.0064788700000000, 0.0005763300000000 ] - [ -0.0000046600000000, 0.0064788700000000, 0.0005763300000000 ] - [ 0.0000000000000000, 0.0065408900000000, 0.0003572500000000 ] - [ -0.0000149400000000, 0.0197923100000000, 0.0057668700000000 ] - [ 0.0000149400000000, 0.0197923100000000, 0.0057668700000000 ] - [ 0.0000000000000000, 0.0197863400000000, 0.0058013700000000 ] - [ 0.0000034500000000, 0.0197454800000000, 0.0059219700000000 ] - [ -0.0000034500000000, 0.0197454800000000, 0.0059219700000000 ] - [ 0.0000000000000000, 0.0197337600000000, 0.0059294600000000 ] - [ 0.0000000000000000, -0.0195122500000000, -0.0055266000000000 ] - [ 0.0003128800000000, -0.0196829900000000, -0.0054614700000000 ] - [ -0.0003128800000000, -0.0196829900000000, -0.0054614700000000 ] - [ 0.0000000000000000, -0.0198923700000000, -0.0055264800000000 ] - [ -0.0002542600000000, -0.0200106000000000, -0.0054613800000000 ] - [ 0.0002542600000000, -0.0200106000000000, -0.0054613800000000 ] - [ -0.0012727200000000, -0.0088493500000000, 0.0019777800000000 ] - [ 0.0012727200000000, -0.0088493500000000, 0.0019777800000000 ] - [ 0.0000000000000000, -0.0078744000000000, 0.0001800200000000 ] - [ -0.0000003400000000, -0.0079434200000000, -0.0001202900000000 ] - [ 0.0000003400000000, -0.0079434200000000, -0.0001202900000000 ] - [ 0.0000000000000000, -0.0079417600000000, -0.0001028500000000 ] - [ 0.0000000000000000, 0.0081590000000000, -0.0003031100000000 ] - [ -0.0000333400000000, 0.0079709300000000, -0.0000944000000000 ] - [ 0.0000333400000000, 0.0079709300000000, -0.0000944000000000 ] - [ 0.0000000000000000, 0.0082771500000000, 0.0009749700000000 ] - [ 0.0001277600000000, 0.0077522500000000, 0.0000282700000000 ] - [ -0.0001277600000000, 0.0077522500000000, 0.0000282700000000 ] - [ 0.0000000000000000, -0.0081788000000000, 0.0003194900000000 ] - [ -0.0001011100000000, -0.0080493200000000, 0.0002461600000000 ] - [ 0.0001011100000000, -0.0080493200000000, 0.0002461600000000 ] - [ 0.0000000000000000, -0.0078557300000000, -0.0001417500000000 ] - [ -0.0000011200000000, -0.0078637700000000, -0.0001501100000000 ] - [ 0.0000011200000000, -0.0078637700000000, -0.0001501100000000 ] - [ 0.0000085500000000, 0.0077896800000000, -0.0001013800000000 ] - [ -0.0000085500000000, 0.0077896800000000, -0.0001013800000000 ] - [ 0.0000000000000000, 0.0077970600000000, -0.0000790700000000 ] - [ -0.0000581400000000, 0.0081286200000000, -0.0000869800000000 ] - [ 0.0000581400000000, 0.0081286200000000, -0.0000869800000000 ] - [ 0.0000000000000000, 0.0081313400000000, -0.0000021300000000 ] - [ 0.0000000000000000, 0.0000645100000000, 0.0000312400000000 ] - [ -0.0000550200000000, 0.0000097200000000, 0.0000232700000000 ] - [ 0.0000550200000000, 0.0000097200000000, 0.0000232700000000 ] - [ 0.0000000000000000, -0.0000572200000000, -0.0001359900000000 ] - [ 0.0000413900000000, -0.0000326600000000, -0.0001138200000000 ] - [ -0.0000413900000000, -0.0000326600000000, -0.0001138200000000 ] - [ 0.0000000000000000, -0.0001603500000000, 0.0003983300000000 ] - [ 0.0001714700000000, -0.0001078200000000, 0.0003508900000000 ] - [ -0.0001714700000000, -0.0001078200000000, 0.0003508900000000 ] - [ 0.0000000000000000, 0.0000341100000000, -0.0002413300000000 ] - [ -0.0000184200000000, 0.0000262300000000, -0.0002263700000000 ] - [ 0.0000184200000000, 0.0000262300000000, -0.0002263700000000 ] - [ 0.0016386600000000, -0.0006286800000000, -0.0012835900000000 ] - [ -0.0016386600000000, -0.0006286800000000, -0.0012835900000000 ] - [ 0.0000000000000000, 0.0000219500000000, 0.0001455100000000 ] - [ 0.0001468700000000, 0.0001451700000000, -0.0010444300000000 ] - [ -0.0001468700000000, 0.0001451700000000, -0.0010444300000000 ] - [ 0.0000000000000000, -0.0002014000000000, -0.0002924900000000 ] - [ 0.0001931200000000, -0.0010455000000000, 0.0025457000000000 ] - [ -0.0001931200000000, -0.0010455000000000, 0.0025457000000000 ] - [ 0.0000000000000000, -0.0003130100000000, 0.0006791000000000 ] - [ -0.0000168100000000, -0.0000024700000000, -0.0007536000000000 ] - [ 0.0000168100000000, -0.0000024700000000, -0.0007536000000000 ] - [ 0.0000000000000000, 0.0000962800000000, -0.0005487200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0279964700000000, -0.0283365800000000 ] - [ 0.0006281700000000, -0.0123726200000000, -0.0003811800000000 ] - [ -0.0006281700000000, -0.0123726200000000, -0.0003811800000000 ] - [ 0.0000000000000000, -0.0119348200000000, 0.0002625900000000 ] - [ 0.0000048300000000, -0.0119479400000000, 0.0002453900000000 ] - [ -0.0000048300000000, -0.0119479400000000, 0.0002453900000000 ] - [ -0.0000045800000000, 0.0119134500000000, 0.0001234900000000 ] - [ 0.0000045800000000, 0.0119134500000000, 0.0001234900000000 ] - [ 0.0000000000000000, 0.0119526900000000, 0.0000704400000000 ] - [ 0.0000198600000000, 0.0119685600000000, 0.0000116900000000 ] - [ -0.0000198600000000, 0.0119685600000000, 0.0000116900000000 ] - [ 0.0000000000000000, 0.0119082400000000, -0.0000459400000000 ] - [ -0.0000389200000000, -0.0119778000000000, -0.0001850900000000 ] - [ 0.0000389200000000, -0.0119778000000000, -0.0001850900000000 ] - [ 0.0000000000000000, -0.0119596600000000, -0.0001478000000000 ] - [ -0.0000000800000000, -0.0119300500000000, 0.0001211800000000 ] - [ 0.0000000800000000, -0.0119300500000000, 0.0001211800000000 ] - [ 0.0000000000000000, -0.0119305500000000, 0.0001218800000000 ] - [ 0.0000000000000000, 0.0120318900000000, 0.0003335300000000 ] - [ 0.0000462900000000, 0.0119772800000000, 0.0001486000000000 ] - [ -0.0000462900000000, 0.0119772800000000, 0.0001486000000000 ] - [ 0.0000000000000000, 0.0116531500000000, 0.0003079700000000 ] - [ -0.0004219500000000, 0.0114437500000000, -0.0003338500000000 ] - [ 0.0004219500000000, 0.0114437500000000, -0.0003338500000000 ] - [ 0.0000000000000000, 0.0327991200000000, 0.0412337300000000 ] - [ 0.0002329400000000, 0.0196790300000000, -0.0047920400000000 ] - [ -0.0002329400000000, 0.0196790300000000, -0.0047920400000000 ] - [ 0.0000000000000000, 0.0197705800000000, -0.0061250700000000 ] - [ -0.0000288500000000, 0.0197779500000000, -0.0061491000000000 ] - [ 0.0000288500000000, 0.0197779500000000, -0.0061491000000000 ] - [ 0.0000158700000000, -0.0197114900000000, 0.0056954000000000 ] - [ -0.0000158700000000, -0.0197114900000000, 0.0056954000000000 ] - [ 0.0000000000000000, -0.0197389300000000, 0.0057169100000000 ] - [ -0.0000906700000000, -0.0200134100000000, 0.0059468000000000 ] - [ 0.0000906700000000, -0.0200134100000000, 0.0059468000000000 ] - [ 0.0000000000000000, -0.0197920200000000, 0.0059391300000000 ] - [ 0.0002436100000000, -0.0066913900000000, -0.0005965900000000 ] - [ -0.0002436100000000, -0.0066913900000000, -0.0005965900000000 ] - [ 0.0000000000000000, -0.0064717300000000, -0.0002720800000000 ] - [ -0.0014864700000000, -0.0053951000000000, -0.0020341900000000 ] - [ 0.0014864700000000, -0.0053951000000000, -0.0020341900000000 ] - [ 0.0000000000000000, -0.0065075400000000, 0.0000744800000000 ] - [ 0.0000000000000000, 0.0066502200000000, 0.0002080300000000 ] - [ -0.0000670300000000, 0.0066567900000000, 0.0001840800000000 ] - [ 0.0000670300000000, 0.0066567900000000, 0.0001840800000000 ] - [ 0.0000000000000000, 0.0065210600000000, -0.0001567700000000 ] - [ 0.0000011700000000, 0.0065202700000000, -0.0001554400000000 ] - [ -0.0000011700000000, 0.0065202700000000, -0.0001554400000000 ] - [ 0.0000000000000000, 0.0188450000000000, 0.0016215600000000 ] - [ -0.0003068300000000, 0.0197892800000000, 0.0058887000000000 ] - [ 0.0003068300000000, 0.0197892800000000, 0.0058887000000000 ] - [ 0.0000000000000000, 0.0197308800000000, 0.0054877600000000 ] - [ 0.0001071900000000, 0.0196954100000000, 0.0054585100000000 ] - [ -0.0001071900000000, 0.0196954100000000, 0.0054585100000000 ] - [ 0.0000258200000000, -0.0196501400000000, -0.0058933800000000 ] - [ -0.0000258200000000, -0.0196501400000000, -0.0058933800000000 ] - [ 0.0000000000000000, -0.0197404300000000, -0.0058449300000000 ] - [ -0.0000577900000000, -0.0198738100000000, -0.0058933100000000 ] - [ 0.0000577900000000, -0.0198738100000000, -0.0058933100000000 ] - [ 0.0000000000000000, -0.0197910000000000, -0.0058446400000000 ] - [ -0.0000352300000000, 0.0197151900000000, -0.0055422900000000 ] - [ 0.0000352300000000, 0.0197151900000000, -0.0055422900000000 ] - [ 0.0000000000000000, 0.0196704500000000, -0.0054939200000000 ] - [ 0.0000031200000000, 0.0197705600000000, -0.0059534700000000 ] - [ -0.0000031200000000, 0.0197705600000000, -0.0059534700000000 ] - [ 0.0000000000000000, 0.0197625900000000, -0.0059579800000000 ] - [ 0.0000000000000000, -0.0197725100000000, 0.0054913800000000 ] - [ -0.0000543700000000, -0.0198027400000000, 0.0054800500000000 ] - [ 0.0000543700000000, -0.0198027400000000, 0.0054800500000000 ] - [ 0.0000000000000000, -0.0175852100000000, 0.0059448900000000 ] - [ 0.0007043000000000, -0.0190197700000000, 0.0054126500000000 ] - [ -0.0007043000000000, -0.0190197700000000, 0.0054126500000000 ] - [ 0.0000000000000000, -0.0065130200000000, -0.0001144600000000 ] - [ -0.0000219100000000, -0.0065299100000000, -0.0001059500000000 ] - [ 0.0000219100000000, -0.0065299100000000, -0.0001059500000000 ] - [ 0.0000000000000000, -0.0064969200000000, 0.0000435500000000 ] - [ 0.0000505000000000, -0.0065003600000000, 0.0000568800000000 ] - [ -0.0000505000000000, -0.0065003600000000, 0.0000568800000000 ] - [ 0.0020846500000000, 0.0041036000000000, -0.0007965100000000 ] - [ -0.0020846500000000, 0.0041036000000000, -0.0007965100000000 ] - [ 0.0000000000000000, 0.0066607000000000, 0.0004877300000000 ] - [ -0.0000046200000000, 0.0065738200000000, -0.0005787700000000 ] - [ 0.0000046200000000, 0.0065738200000000, -0.0005787700000000 ] - [ 0.0000000000000000, 0.0065110500000000, -0.0003587900000000 ] - [ 0.0000150000000000, 0.0197214800000000, 0.0058778800000000 ] - [ -0.0000150000000000, 0.0197214800000000, 0.0058778800000000 ] - [ 0.0000000000000000, 0.0197272700000000, 0.0058437800000000 ] - [ -0.0000034500000000, 0.0197683700000000, 0.0057230900000000 ] - [ 0.0000034500000000, 0.0197683700000000, 0.0057230900000000 ] - [ 0.0000000000000000, 0.0197801200000000, 0.0057155200000000 ] - [ 0.0000000000000000, -0.0200010900000000, -0.0061194200000000 ] - [ -0.0003134400000000, -0.0198310600000000, -0.0061854900000000 ] - [ 0.0003134400000000, -0.0198310600000000, -0.0061854900000000 ] - [ 0.0000000000000000, -0.0196190400000000, -0.0061190000000000 ] - [ 0.0002565700000000, -0.0194997400000000, -0.0061855600000000 ] - [ -0.0002565700000000, -0.0194997400000000, -0.0061855600000000 ] - [ 0.0012310800000000, -0.0069877200000000, -0.0019483100000000 ] - [ -0.0012310800000000, -0.0069877200000000, -0.0019483100000000 ] - [ 0.0000000000000000, -0.0079266600000000, -0.0001788700000000 ] - [ 0.0000003200000000, -0.0078564700000000, 0.0001210300000000 ] - [ -0.0000003200000000, -0.0078564700000000, 0.0001210300000000 ] - [ 0.0000000000000000, -0.0078582300000000, 0.0001033800000000 ] - [ 0.0000000000000000, 0.0076420700000000, 0.0003023900000000 ] - [ 0.0000332000000000, 0.0078290800000000, 0.0000943300000000 ] - [ -0.0000332000000000, 0.0078290800000000, 0.0000943300000000 ] - [ 0.0000000000000000, 0.0074866200000000, -0.0010238800000000 ] - [ -0.0001287700000000, 0.0080478100000000, -0.0000292900000000 ] - [ 0.0001287700000000, 0.0080478100000000, -0.0000292900000000 ] - [ 0.0000000000000000, -0.0076195900000000, -0.0003186100000000 ] - [ 0.0001013000000000, -0.0077491800000000, -0.0002447200000000 ] - [ -0.0001013000000000, -0.0077491800000000, -0.0002447200000000 ] - [ 0.0000000000000000, -0.0079445900000000, 0.0001424200000000 ] - [ 0.0000011600000000, -0.0079365000000000, 0.0001509100000000 ] - [ -0.0000011600000000, -0.0079365000000000, 0.0001509100000000 ] - [ -0.0000085000000000, 0.0080105200000000, 0.0001012700000000 ] - [ 0.0000085000000000, 0.0080105200000000, 0.0001012700000000 ] - [ 0.0000000000000000, 0.0080031900000000, 0.0000789100000000 ] - [ 0.0000580100000000, 0.0076725000000000, 0.0000846200000000 ] - [ -0.0000580100000000, 0.0076725000000000, 0.0000846200000000 ] - [ 0.0000000000000000, 0.0076703700000000, -0.0000009400000000 ] - [ 0.0000000000000000, -0.0000642500000000, -0.0000305600000000 ] - [ 0.0000550100000000, -0.0000095700000000, -0.0000231600000000 ] - [ -0.0000550100000000, -0.0000095700000000, -0.0000231600000000 ] - [ 0.0000000000000000, 0.0000579900000000, 0.0001358200000000 ] - [ -0.0000420000000000, 0.0000330300000000, 0.0001133800000000 ] - [ 0.0000420000000000, 0.0000330300000000, 0.0001133800000000 ] - [ 0.0000000000000000, 0.0001615800000000, -0.0003994800000000 ] - [ -0.0001727500000000, 0.0001089600000000, -0.0003514000000000 ] - [ 0.0001727500000000, 0.0001089600000000, -0.0003514000000000 ] - [ 0.0000000000000000, -0.0000341400000000, 0.0002417600000000 ] - [ 0.0000183200000000, -0.0000262800000000, 0.0002269000000000 ] - [ -0.0000183200000000, -0.0000262800000000, 0.0002269000000000 ] - [ -0.0016354500000000, 0.0006258200000000, 0.0012918500000000 ] - [ 0.0016354500000000, 0.0006258200000000, 0.0012918500000000 ] - [ 0.0000000000000000, -0.0000226500000000, -0.0001427000000000 ] - [ -0.0001499100000000, -0.0001458700000000, 0.0010457600000000 ] - [ 0.0001499100000000, -0.0001458700000000, 0.0010457600000000 ] - [ 0.0000000000000000, 0.0002028900000000, 0.0002907000000000 ] - [ -0.0001553100000000, 0.0010055800000000, -0.0025185000000000 ] - [ 0.0001553100000000, 0.0010055800000000, -0.0025185000000000 ] - [ 0.0000000000000000, 0.0003147800000000, -0.0006808100000000 ] - [ 0.0000166200000000, 0.0000021900000000, 0.0007545400000000 ] - [ -0.0000166200000000, 0.0000021900000000, 0.0007545400000000 ] - [ 0.0000000000000000, -0.0000962000000000, 0.0005501900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003028600000000, -0.0122782000000000, 0.0003050000000000 ] - [ -0.0001916300000000, -0.0119328300000000, 0.0000003000000000 ] - [ 0.0003009900000000, -0.0115885300000000, -0.0003056400000000 ] - [ 0.0003028600000000, -0.0122782000000000, -0.0003050000000000 ] - [ -0.0001916300000000, -0.0119328300000000, -0.0000003000000000 ] - [ 0.0003009900000000, -0.0115885300000000, 0.0003056400000000 ] - [ 0.0000963300000000, 0.0119326600000000, 0.0000000000000000 ] - [ -0.0000531700000000, 0.0120103300000000, 0.0000000000000000 ] - [ -0.0000530400000000, 0.0118554100000000, 0.0000000000000000 ] - [ 0.0000012800000000, 0.0119324800000000, 0.0000000000000000 ] - [ -0.0000010600000000, 0.0119378200000000, 0.0000000000000000 ] - [ -0.0000010400000000, 0.0119271500000000, 0.0000000000000000 ] - [ 0.0000199900000000, -0.0119324100000000, -0.0000000100000000 ] - [ -0.0000101600000000, -0.0119717700000000, 0.0000656800000000 ] - [ -0.0000102100000000, -0.0118930900000000, -0.0000657100000000 ] - [ 0.0000199900000000, -0.0119324100000000, 0.0000000100000000 ] - [ -0.0000101600000000, -0.0119717700000000, -0.0000656800000000 ] - [ -0.0000102100000000, -0.0118930900000000, 0.0000657100000000 ] - [ 0.0171325600000000, 0.0258432100000000, 0.0000000000000000 ] - [ -0.0015528100000000, 0.0119253200000000, 0.0000000000000000 ] - [ 0.0165431000000000, -0.0013752200000000, 0.0000000000000000 ] - [ 0.0000087400000000, 0.0119406700000000, 0.0000000000000000 ] - [ -0.0000239300000000, 0.0119325200000000, 0.0000000000000000 ] - [ 0.0000088000000000, 0.0119242200000000, 0.0000000000000000 ] - [ -0.0000436900000000, 0.0198111900000000, -0.0060667800000000 ] - [ 0.0001368700000000, 0.0197571100000000, -0.0058225700000000 ] - [ -0.0000433100000000, 0.0197034300000000, -0.0055787100000000 ] - [ 0.0002413200000000, 0.0198301400000000, -0.0043454900000000 ] - [ 0.0003075200000000, 0.0197575300000000, -0.0058224000000000 ] - [ 0.0002414700000000, 0.0196858900000000, -0.0072910400000000 ] - [ -0.0001422300000000, -0.0197570400000000, 0.0058226100000000 ] - [ 0.0001128400000000, -0.0198754700000000, 0.0058898900000000 ] - [ 0.0001121700000000, -0.0196392400000000, 0.0057556300000000 ] - [ -0.0000160500000000, -0.0197569800000000, 0.0058224800000000 ] - [ 0.0000086100000000, -0.0197672000000000, 0.0058213000000000 ] - [ 0.0000086000000000, -0.0197467700000000, 0.0058236600000000 ] - [ -0.0569102500000000, -0.0070453200000000, 0.0000000000000000 ] - [ 0.0046101100000000, -0.0059966300000000, 0.0000000000000000 ] - [ 0.0045552300000000, -0.0070503700000000, 0.0000000000000000 ] - [ -0.0002376900000000, -0.0065254900000000, 0.0000000000000000 ] - [ 0.0001037900000000, -0.0065195600000000, 0.0000000000000000 ] - [ 0.0001032300000000, -0.0065324600000000, 0.0000000000000000 ] - [ -0.0000326000000000, 0.0065243600000000, -0.0000112800000000 ] - [ 0.0000785100000000, 0.0065259500000000, -0.0000001000000000 ] - [ -0.0000325300000000, 0.0065276500000000, 0.0000111400000000 ] - [ -0.0000326000000000, 0.0065243600000000, 0.0000112800000000 ] - [ 0.0000785100000000, 0.0065259500000000, 0.0000001000000000 ] - [ -0.0000325300000000, 0.0065276500000000, -0.0000111400000000 ] - [ 0.0002413200000000, 0.0198301400000000, 0.0043454900000000 ] - [ 0.0003075200000000, 0.0197575300000000, 0.0058224000000000 ] - [ 0.0002414700000000, 0.0196858900000000, 0.0072910400000000 ] - [ -0.0000436900000000, 0.0198111900000000, 0.0060667800000000 ] - [ 0.0001368700000000, 0.0197571100000000, 0.0058225700000000 ] - [ -0.0000433100000000, 0.0197034300000000, 0.0055787100000000 ] - [ -0.0001422300000000, -0.0197570400000000, -0.0058226100000000 ] - [ 0.0001128400000000, -0.0198754700000000, -0.0058898900000000 ] - [ 0.0001121700000000, -0.0196392400000000, -0.0057556300000000 ] - [ -0.0000160500000000, -0.0197569800000000, -0.0058224800000000 ] - [ 0.0000086100000000, -0.0197672000000000, -0.0058213000000000 ] - [ 0.0000086000000000, -0.0197467700000000, -0.0058236600000000 ] - [ -0.0000477900000000, 0.0197569800000000, -0.0058225100000000 ] - [ 0.0000240800000000, 0.0197879300000000, -0.0058445500000000 ] - [ 0.0000241200000000, 0.0197260400000000, -0.0058005100000000 ] - [ -0.0000920400000000, 0.0197569000000000, -0.0058224800000000 ] - [ 0.0000650800000000, 0.0198850800000000, -0.0057721700000000 ] - [ 0.0000652300000000, 0.0196283600000000, -0.0058728600000000 ] - [ 0.0010537900000000, -0.0177789600000000, 0.0079165500000000 ] - [ 0.0003764100000000, -0.0197562100000000, 0.0058234700000000 ] - [ 0.0010545800000000, -0.0217228200000000, 0.0037347100000000 ] - [ -0.0000726900000000, -0.0197862500000000, 0.0058180000000000 ] - [ 0.0000950800000000, -0.0197569800000000, 0.0058224800000000 ] - [ -0.0000722300000000, -0.0197276000000000, 0.0058272300000000 ] - [ -0.0000589400000000, -0.0064976300000000, 0.0000000000000000 ] - [ 0.0001163000000000, -0.0065262200000000, 0.0000000000000000 ] - [ -0.0000587500000000, -0.0065548800000000, 0.0000000000000000 ] - [ -0.0000077500000000, -0.0065275200000000, 0.0000000000000000 ] - [ 0.0000183600000000, -0.0065260400000000, 0.0000000000000000 ] - [ -0.0000080400000000, -0.0065245600000000, 0.0000000000000000 ] - [ -0.0001428600000000, 0.0065250800000000, 0.0000027100000000 ] - [ 0.0002581300000000, 0.0065052600000000, -0.0002938800000000 ] - [ 0.0002586500000000, 0.0065480900000000, 0.0002938500000000 ] - [ -0.0001428600000000, 0.0065250800000000, -0.0000027100000000 ] - [ 0.0002581300000000, 0.0065052600000000, 0.0002938800000000 ] - [ 0.0002586500000000, 0.0065480900000000, -0.0002938500000000 ] - [ -0.0000920400000000, 0.0197569000000000, 0.0058224800000000 ] - [ 0.0000650800000000, 0.0198850800000000, 0.0057721700000000 ] - [ 0.0000652300000000, 0.0196283600000000, 0.0058728600000000 ] - [ -0.0000477900000000, 0.0197569800000000, 0.0058225100000000 ] - [ 0.0000240800000000, 0.0197879300000000, 0.0058445500000000 ] - [ 0.0000241200000000, 0.0197260400000000, 0.0058005100000000 ] - [ 0.0010537900000000, -0.0177789600000000, -0.0079165500000000 ] - [ 0.0003764100000000, -0.0197562100000000, -0.0058234700000000 ] - [ 0.0010545800000000, -0.0217228200000000, -0.0037347100000000 ] - [ -0.0000726900000000, -0.0197862500000000, -0.0058180000000000 ] - [ 0.0000950800000000, -0.0197569800000000, -0.0058224800000000 ] - [ -0.0000722300000000, -0.0197276000000000, -0.0058272300000000 ] - [ 0.0001403800000000, -0.0079002600000000, -0.0000000800000000 ] - [ -0.0000601400000000, -0.0078529200000000, 0.0000245300000000 ] - [ -0.0000603800000000, -0.0079476100000000, -0.0000245700000000 ] - [ 0.0001403800000000, -0.0079002600000000, 0.0000000800000000 ] - [ -0.0000601400000000, -0.0078529200000000, -0.0000245300000000 ] - [ -0.0000603800000000, -0.0079476100000000, 0.0000245700000000 ] - [ 0.0021913800000000, 0.0049802000000000, 0.0000000000000000 ] - [ -0.0002831000000000, 0.0079012200000000, 0.0000000000000000 ] - [ 0.0021626200000000, 0.0107500300000000, 0.0000000000000000 ] - [ 0.0000079300000000, 0.0079287500000000, 0.0000000000000000 ] - [ -0.0000076700000000, 0.0079001400000000, 0.0000000000000000 ] - [ 0.0000079600000000, 0.0078713800000000, 0.0000000000000000 ] - [ 0.0000798400000000, -0.0080311100000000, 0.0002382700000000 ] - [ -0.0000856000000000, -0.0079001900000000, 0.0000000500000000 ] - [ 0.0000796100000000, -0.0077687000000000, -0.0002385300000000 ] - [ 0.0000798400000000, -0.0080311100000000, -0.0002382700000000 ] - [ -0.0000856000000000, -0.0079001900000000, -0.0000000500000000 ] - [ 0.0000796100000000, -0.0077687000000000, 0.0002385300000000 ] - [ 0.0005033700000000, 0.0079007200000000, 0.0000000000000000 ] - [ -0.0003794900000000, 0.0075317800000000, 0.0000000000000000 ] - [ -0.0003806800000000, 0.0082695100000000, 0.0000000000000000 ] - [ 0.0000056100000000, 0.0079002700000000, 0.0000000000000000 ] - [ -0.0000033100000000, 0.0079041600000000, 0.0000000000000000 ] - [ -0.0000033700000000, 0.0078963900000000, 0.0000000000000000 ] - [ 0.0001505500000000, -0.0000109000000000, 0.0000263800000000 ] - [ -0.0003139900000000, 0.0000005000000000, 0.0000000800000000 ] - [ 0.0001502900000000, 0.0000113600000000, -0.0000261600000000 ] - [ 0.0000249200000000, -0.0000011300000000, -0.0000183100000000 ] - [ -0.0000470300000000, 0.0000000000000000, -0.0000000600000000 ] - [ 0.0000249100000000, 0.0000011500000000, 0.0000182300000000 ] - [ 0.0000249200000000, -0.0000011300000000, 0.0000183100000000 ] - [ -0.0000470300000000, 0.0000000000000000, 0.0000000600000000 ] - [ 0.0000249100000000, 0.0000011500000000, -0.0000182300000000 ] - [ 0.0001505500000000, -0.0000109000000000, -0.0000263800000000 ] - [ -0.0003139900000000, 0.0000005000000000, -0.0000000800000000 ] - [ 0.0001502900000000, 0.0000113600000000, 0.0000261600000000 ] - [ 0.0031026800000000, -0.0000176600000000, 0.0000284100000000 ] - [ -0.0007476100000000, 0.0003798500000000, 0.0007791000000000 ] - [ -0.0007580600000000, -0.0003831800000000, -0.0007767200000000 ] - [ 0.0003098400000000, -0.0000008200000000, 0.0000011200000000 ] - [ -0.0001319100000000, -0.0000125700000000, -0.0002033700000000 ] - [ -0.0001315000000000, 0.0000123500000000, 0.0002036400000000 ] - [ 0.0003098400000000, -0.0000008200000000, -0.0000011200000000 ] - [ -0.0001319100000000, -0.0000125700000000, 0.0002033700000000 ] - [ -0.0001315000000000, 0.0000123500000000, -0.0002036400000000 ] - [ 0.0031026800000000, -0.0000176600000000, -0.0000284100000000 ] - [ -0.0007476100000000, 0.0003798500000000, -0.0007791000000000 ] - [ -0.0007580600000000, -0.0003831800000000, 0.0007767200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003167400000000, -0.0113955100000000, -0.0002608400000000 ] - [ 0.0000000000000000, -0.0118336300000000, -0.0001024000000000 ] - [ 0.0003167400000000, -0.0113955100000000, -0.0002608400000000 ] - [ -0.0003167400000000, -0.0113955100000000, 0.0002608400000000 ] - [ 0.0000000000000000, -0.0118336300000000, 0.0001024000000000 ] - [ 0.0003167400000000, -0.0113955100000000, 0.0002608400000000 ] - [ 0.0000000000000000, 0.0117198600000000, 0.0000000000000000 ] - [ 0.0000226200000000, 0.0118108500000000, 0.0000000000000000 ] - [ -0.0000226200000000, 0.0118108500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0119236500000000, 0.0000000000000000 ] - [ -0.0000006100000000, 0.0119265100000000, 0.0000000000000000 ] - [ 0.0000006100000000, 0.0119265100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119866600000000, 0.0000164900000000 ] - [ 0.0000008500000000, -0.0119737200000000, 0.0000259200000000 ] - [ -0.0000008500000000, -0.0119737200000000, 0.0000259200000000 ] - [ 0.0000000000000000, -0.0119866600000000, -0.0000164900000000 ] - [ 0.0000008500000000, -0.0119737200000000, -0.0000259200000000 ] - [ -0.0000008500000000, -0.0119737200000000, -0.0000259200000000 ] - [ 0.0154919700000000, 0.0265442300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0125431200000000, 0.0000000000000000 ] - [ -0.0154919700000000, 0.0265442300000000, 0.0000000000000000 ] - [ 0.0000307700000000, 0.0119811500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0119223700000000, 0.0000000000000000 ] - [ -0.0000307700000000, 0.0119811500000000, 0.0000000000000000 ] - [ 0.0000015300000000, 0.0196538200000000, -0.0056569300000000 ] - [ 0.0000000000000000, 0.0196581700000000, -0.0058766900000000 ] - [ -0.0000015300000000, 0.0196538200000000, -0.0056569300000000 ] - [ -0.0004647800000000, 0.0188825500000000, -0.0069443500000000 ] - [ 0.0000000000000000, 0.0195507900000000, -0.0058412400000000 ] - [ 0.0004647800000000, 0.0188825500000000, -0.0069443500000000 ] - [ 0.0000000000000000, -0.0193957900000000, 0.0056988200000000 ] - [ -0.0001155700000000, -0.0195036400000000, 0.0056924400000000 ] - [ 0.0001155700000000, -0.0195036400000000, 0.0056924400000000 ] - [ 0.0000000000000000, -0.0197406700000000, 0.0058273700000000 ] - [ -0.0000013700000000, -0.0197483800000000, 0.0058282000000000 ] - [ 0.0000013700000000, -0.0197483800000000, 0.0058282000000000 ] - [ 0.0000000000000000, -0.0599323300000000, 0.0000000000000000 ] - [ -0.0005338600000000, -0.0076300000000000, 0.0000000000000000 ] - [ 0.0005338600000000, -0.0076300000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0067285700000000, 0.0000000000000000 ] - [ -0.0000064500000000, -0.0065525600000000, 0.0000000000000000 ] - [ 0.0000064500000000, -0.0065525600000000, 0.0000000000000000 ] - [ -0.0000017400000000, 0.0065852100000000, 0.0000308800000000 ] - [ 0.0000000000000000, 0.0065936300000000, 0.0000398000000000 ] - [ 0.0000017400000000, 0.0065852100000000, 0.0000308800000000 ] - [ -0.0000017400000000, 0.0065852100000000, -0.0000308800000000 ] - [ 0.0000000000000000, 0.0065936300000000, -0.0000398000000000 ] - [ 0.0000017400000000, 0.0065852100000000, -0.0000308800000000 ] - [ -0.0004647800000000, 0.0188825500000000, 0.0069443500000000 ] - [ 0.0000000000000000, 0.0195507900000000, 0.0058412400000000 ] - [ 0.0004647800000000, 0.0188825500000000, 0.0069443500000000 ] - [ 0.0000015300000000, 0.0196538200000000, 0.0056569300000000 ] - [ 0.0000000000000000, 0.0196581700000000, 0.0058766900000000 ] - [ -0.0000015300000000, 0.0196538200000000, 0.0056569300000000 ] - [ 0.0000000000000000, -0.0193957900000000, -0.0056988200000000 ] - [ -0.0001155700000000, -0.0195036400000000, -0.0056924400000000 ] - [ 0.0001155700000000, -0.0195036400000000, -0.0056924400000000 ] - [ 0.0000000000000000, -0.0197406700000000, -0.0058273700000000 ] - [ -0.0000013700000000, -0.0197483800000000, -0.0058282000000000 ] - [ 0.0000013700000000, -0.0197483800000000, -0.0058282000000000 ] - [ 0.0000000000000000, 0.0198246100000000, -0.0058357100000000 ] - [ 0.0000158400000000, 0.0197955400000000, -0.0058187400000000 ] - [ -0.0000158400000000, 0.0197955400000000, -0.0058187400000000 ] - [ 0.0000000000000000, 0.0199881700000000, -0.0058517300000000 ] - [ 0.0000159700000000, 0.0199615200000000, -0.0058482000000000 ] - [ -0.0000159700000000, 0.0199615200000000, -0.0058482000000000 ] - [ 0.0023494000000000, -0.0181437100000000, 0.0082645700000000 ] - [ 0.0000000000000000, -0.0200450300000000, 0.0056875400000000 ] - [ -0.0023494000000000, -0.0181437100000000, 0.0082645700000000 ] - [ 0.0000344200000000, -0.0197890500000000, 0.0057753000000000 ] - [ 0.0000000000000000, -0.0197696200000000, 0.0058371800000000 ] - [ -0.0000344200000000, -0.0197890500000000, 0.0057753000000000 ] - [ -0.0000285600000000, -0.0063661800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0063973900000000, 0.0000000000000000 ] - [ 0.0000285600000000, -0.0063661800000000, 0.0000000000000000 ] - [ 0.0000014700000000, -0.0065136900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0065165300000000, 0.0000000000000000 ] - [ -0.0000014700000000, -0.0065136900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0066732500000000, -0.0006753700000000 ] - [ -0.0000209100000000, 0.0062004100000000, -0.0001133700000000 ] - [ 0.0000209100000000, 0.0062004100000000, -0.0001133700000000 ] - [ 0.0000000000000000, 0.0066732500000000, 0.0006753700000000 ] - [ -0.0000209100000000, 0.0062004100000000, 0.0001133700000000 ] - [ 0.0000209100000000, 0.0062004100000000, 0.0001133700000000 ] - [ 0.0000000000000000, 0.0199881700000000, 0.0058517300000000 ] - [ 0.0000159700000000, 0.0199615200000000, 0.0058482000000000 ] - [ -0.0000159700000000, 0.0199615200000000, 0.0058482000000000 ] - [ 0.0000000000000000, 0.0198246100000000, 0.0058357100000000 ] - [ 0.0000158400000000, 0.0197955400000000, 0.0058187400000000 ] - [ -0.0000158400000000, 0.0197955400000000, 0.0058187400000000 ] - [ 0.0023494000000000, -0.0181437100000000, -0.0082645700000000 ] - [ 0.0000000000000000, -0.0200450300000000, -0.0056875400000000 ] - [ -0.0023494000000000, -0.0181437100000000, -0.0082645700000000 ] - [ 0.0000344200000000, -0.0197890500000000, -0.0057753000000000 ] - [ 0.0000000000000000, -0.0197696200000000, -0.0058371800000000 ] - [ -0.0000344200000000, -0.0197890500000000, -0.0057753000000000 ] - [ 0.0000000000000000, -0.0079503500000000, -0.0000808500000000 ] - [ 0.0000434100000000, -0.0079281500000000, -0.0000309600000000 ] - [ -0.0000434100000000, -0.0079281500000000, -0.0000309600000000 ] - [ 0.0000000000000000, -0.0079503500000000, 0.0000808500000000 ] - [ 0.0000434100000000, -0.0079281500000000, 0.0000309600000000 ] - [ -0.0000434100000000, -0.0079281500000000, 0.0000309600000000 ] - [ -0.0024552200000000, 0.0106580300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078766500000000, 0.0000000000000000 ] - [ 0.0024552200000000, 0.0106580300000000, 0.0000000000000000 ] - [ 0.0000026100000000, 0.0078951200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079171600000000, 0.0000000000000000 ] - [ -0.0000026100000000, 0.0078951200000000, 0.0000000000000000 ] - [ 0.0000162900000000, -0.0080427700000000, 0.0002005200000000 ] - [ 0.0000000000000000, -0.0079248200000000, 0.0000348000000000 ] - [ -0.0000162900000000, -0.0080427700000000, 0.0002005200000000 ] - [ 0.0000162900000000, -0.0080427700000000, -0.0002005200000000 ] - [ 0.0000000000000000, -0.0079248200000000, -0.0000348000000000 ] - [ -0.0000162900000000, -0.0080427700000000, -0.0002005200000000 ] - [ 0.0000000000000000, 0.0073096000000000, 0.0000000000000000 ] - [ -0.0002904700000000, 0.0075600300000000, 0.0000000000000000 ] - [ 0.0002904700000000, 0.0075600300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078889000000000, 0.0000000000000000 ] - [ -0.0000097400000000, 0.0078872200000000, 0.0000000000000000 ] - [ 0.0000097400000000, 0.0078872200000000, 0.0000000000000000 ] - [ 0.0000910000000000, -0.0003053100000000, -0.0001182600000000 ] - [ 0.0000000000000000, -0.0002259200000000, -0.0001006000000000 ] - [ -0.0000910000000000, -0.0003053100000000, -0.0001182600000000 ] - [ -0.0000136000000000, -0.0000307200000000, 0.0000178000000000 ] - [ 0.0000000000000000, -0.0000157000000000, 0.0000210300000000 ] - [ 0.0000136000000000, -0.0000307200000000, 0.0000178000000000 ] - [ -0.0000136000000000, -0.0000307200000000, -0.0000178000000000 ] - [ 0.0000000000000000, -0.0000157000000000, -0.0000210300000000 ] - [ 0.0000136000000000, -0.0000307200000000, -0.0000178000000000 ] - [ 0.0000910000000000, -0.0003053100000000, 0.0001182600000000 ] - [ 0.0000000000000000, -0.0002259200000000, 0.0001006000000000 ] - [ -0.0000910000000000, -0.0003053100000000, 0.0001182600000000 ] - [ 0.0000000000000000, 0.0059457600000000, -0.0077123100000000 ] - [ -0.0004748600000000, 0.0014126800000000, 0.0002729500000000 ] - [ 0.0004748600000000, 0.0014126800000000, 0.0002729500000000 ] - [ 0.0000000000000000, 0.0002865900000000, -0.0001637600000000 ] - [ 0.0000802500000000, 0.0000708700000000, -0.0000450600000000 ] - [ -0.0000802500000000, 0.0000708700000000, -0.0000450600000000 ] - [ 0.0000000000000000, 0.0002865900000000, 0.0001637600000000 ] - [ 0.0000802500000000, 0.0000708700000000, 0.0000450600000000 ] - [ -0.0000802500000000, 0.0000708700000000, 0.0000450600000000 ] - [ 0.0000000000000000, 0.0059457600000000, 0.0077123100000000 ] - [ -0.0004748600000000, 0.0014126800000000, -0.0002729500000000 ] - [ 0.0004748600000000, 0.0014126800000000, -0.0002729500000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003201200000000, -0.0124729100000000, 0.0002624800000000 ] - [ 0.0000000000000000, -0.0120306900000000, 0.0001017300000000 ] - [ -0.0003201200000000, -0.0124729100000000, 0.0002624800000000 ] - [ 0.0003201200000000, -0.0124729100000000, -0.0002624800000000 ] - [ 0.0000000000000000, -0.0120306900000000, -0.0001017300000000 ] - [ -0.0003201200000000, -0.0124729100000000, -0.0002624800000000 ] - [ 0.0000000000000000, 0.0121467000000000, 0.0000000000000000 ] - [ -0.0000230400000000, 0.0120555200000000, 0.0000000000000000 ] - [ 0.0000230400000000, 0.0120555200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0119412800000000, 0.0000000000000000 ] - [ 0.0000006100000000, 0.0119384300000000, 0.0000000000000000 ] - [ -0.0000006100000000, 0.0119384300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0118777500000000, -0.0000164700000000 ] - [ -0.0000008100000000, -0.0118908000000000, -0.0000258100000000 ] - [ 0.0000008100000000, -0.0118908000000000, -0.0000258100000000 ] - [ 0.0000000000000000, -0.0118777500000000, 0.0000164700000000 ] - [ -0.0000008100000000, -0.0118908000000000, 0.0000258100000000 ] - [ 0.0000008100000000, -0.0118908000000000, 0.0000258100000000 ] - [ -0.0150201900000000, -0.0024620800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0113261300000000, 0.0000000000000000 ] - [ 0.0150201900000000, -0.0024620800000000, 0.0000000000000000 ] - [ -0.0000308100000000, 0.0118835300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0119428700000000, 0.0000000000000000 ] - [ 0.0000308100000000, 0.0118835300000000, 0.0000000000000000 ] - [ -0.0000027300000000, 0.0198613000000000, -0.0059888300000000 ] - [ 0.0000000000000000, 0.0198558400000000, -0.0057680000000000 ] - [ 0.0000027300000000, 0.0198613000000000, -0.0059888300000000 ] - [ 0.0004632800000000, 0.0206423200000000, -0.0046993900000000 ] - [ 0.0000000000000000, 0.0199639900000000, -0.0058063100000000 ] - [ -0.0004632800000000, 0.0206423200000000, -0.0046993900000000 ] - [ 0.0000000000000000, -0.0201205900000000, 0.0059470100000000 ] - [ 0.0001168200000000, -0.0200127500000000, 0.0059541300000000 ] - [ -0.0001168200000000, -0.0200127500000000, 0.0059541300000000 ] - [ 0.0000000000000000, -0.0197732300000000, 0.0058174900000000 ] - [ 0.0000013500000000, -0.0197654800000000, 0.0058166400000000 ] - [ -0.0000013500000000, -0.0197654800000000, 0.0058166400000000 ] - [ 0.0000000000000000, 0.0466527400000000, 0.0000000000000000 ] - [ 0.0005197500000000, -0.0054199400000000, 0.0000000000000000 ] - [ -0.0005197500000000, -0.0054199400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0063227800000000, 0.0000000000000000 ] - [ 0.0000061700000000, -0.0064993100000000, 0.0000000000000000 ] - [ -0.0000061700000000, -0.0064993100000000, 0.0000000000000000 ] - [ 0.0000017200000000, 0.0064665200000000, -0.0000314900000000 ] - [ 0.0000000000000000, 0.0064579300000000, -0.0000406100000000 ] - [ -0.0000017200000000, 0.0064665200000000, -0.0000314900000000 ] - [ 0.0000017200000000, 0.0064665200000000, 0.0000314900000000 ] - [ 0.0000000000000000, 0.0064579300000000, 0.0000406100000000 ] - [ -0.0000017200000000, 0.0064665200000000, 0.0000314900000000 ] - [ 0.0004632800000000, 0.0206423200000000, 0.0046993900000000 ] - [ 0.0000000000000000, 0.0199639900000000, 0.0058063100000000 ] - [ -0.0004632800000000, 0.0206423200000000, 0.0046993900000000 ] - [ -0.0000027300000000, 0.0198613000000000, 0.0059888300000000 ] - [ 0.0000000000000000, 0.0198558400000000, 0.0057680000000000 ] - [ 0.0000027300000000, 0.0198613000000000, 0.0059888300000000 ] - [ 0.0000000000000000, -0.0201205900000000, -0.0059470100000000 ] - [ 0.0001168200000000, -0.0200127500000000, -0.0059541300000000 ] - [ -0.0001168200000000, -0.0200127500000000, -0.0059541300000000 ] - [ 0.0000000000000000, -0.0197732300000000, -0.0058174900000000 ] - [ 0.0000013500000000, -0.0197654800000000, -0.0058166400000000 ] - [ -0.0000013500000000, -0.0197654800000000, -0.0058166400000000 ] - [ 0.0000000000000000, 0.0196892100000000, -0.0058094800000000 ] - [ -0.0000159000000000, 0.0197183300000000, -0.0058265500000000 ] - [ 0.0000159000000000, 0.0197183300000000, -0.0058265500000000 ] - [ 0.0000000000000000, 0.0195238100000000, -0.0057929100000000 ] - [ -0.0000161400000000, 0.0195509500000000, -0.0057963800000000 ] - [ 0.0000161400000000, 0.0195509500000000, -0.0057963800000000 ] - [ -0.0023330400000000, -0.0213594700000000, 0.0033989900000000 ] - [ 0.0000000000000000, -0.0194680800000000, 0.0059567000000000 ] - [ 0.0023330400000000, -0.0213594700000000, 0.0033989900000000 ] - [ -0.0000350300000000, -0.0197248200000000, 0.0058701200000000 ] - [ 0.0000000000000000, -0.0197444100000000, 0.0058075000000000 ] - [ 0.0000350300000000, -0.0197248200000000, 0.0058701200000000 ] - [ 0.0000289000000000, -0.0066872700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066557900000000, 0.0000000000000000 ] - [ -0.0000289000000000, -0.0066872700000000, 0.0000000000000000 ] - [ -0.0000012100000000, -0.0065383200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0065354800000000, 0.0000000000000000 ] - [ 0.0000012100000000, -0.0065383200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0063803800000000, 0.0006903400000000 ] - [ 0.0000220200000000, 0.0068532500000000, 0.0001137800000000 ] - [ -0.0000220200000000, 0.0068532500000000, 0.0001137800000000 ] - [ 0.0000000000000000, 0.0063803800000000, -0.0006903400000000 ] - [ 0.0000220200000000, 0.0068532500000000, -0.0001137800000000 ] - [ -0.0000220200000000, 0.0068532500000000, -0.0001137800000000 ] - [ 0.0000000000000000, 0.0195238100000000, 0.0057929100000000 ] - [ -0.0000161400000000, 0.0195509500000000, 0.0057963800000000 ] - [ 0.0000161400000000, 0.0195509500000000, 0.0057963800000000 ] - [ 0.0000000000000000, 0.0196892100000000, 0.0058094800000000 ] - [ -0.0000159000000000, 0.0197183300000000, 0.0058265500000000 ] - [ 0.0000159000000000, 0.0197183300000000, 0.0058265500000000 ] - [ -0.0023330400000000, -0.0213594700000000, -0.0033989900000000 ] - [ 0.0000000000000000, -0.0194680800000000, -0.0059567000000000 ] - [ 0.0023330400000000, -0.0213594700000000, -0.0033989900000000 ] - [ -0.0000350300000000, -0.0197248200000000, -0.0058701200000000 ] - [ 0.0000000000000000, -0.0197444100000000, -0.0058075000000000 ] - [ 0.0000350300000000, -0.0197248200000000, -0.0058701200000000 ] - [ 0.0000000000000000, -0.0078499500000000, 0.0000815300000000 ] - [ -0.0000435400000000, -0.0078724300000000, 0.0000311300000000 ] - [ 0.0000435400000000, -0.0078724300000000, 0.0000311300000000 ] - [ 0.0000000000000000, -0.0078499500000000, -0.0000815300000000 ] - [ -0.0000435400000000, -0.0078724300000000, -0.0000311300000000 ] - [ 0.0000435400000000, -0.0078724300000000, -0.0000311300000000 ] - [ 0.0025419800000000, 0.0050554300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079184900000000, 0.0000000000000000 ] - [ -0.0025419800000000, 0.0050554300000000, 0.0000000000000000 ] - [ -0.0000026100000000, 0.0079046100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078826600000000, 0.0000000000000000 ] - [ 0.0000026100000000, 0.0079046100000000, 0.0000000000000000 ] - [ -0.0000155900000000, -0.0077560000000000, -0.0002012100000000 ] - [ 0.0000000000000000, -0.0078747100000000, -0.0000349900000000 ] - [ 0.0000155900000000, -0.0077560000000000, -0.0002012100000000 ] - [ -0.0000155900000000, -0.0077560000000000, 0.0002012100000000 ] - [ 0.0000000000000000, -0.0078747100000000, 0.0000349900000000 ] - [ 0.0000155900000000, -0.0077560000000000, 0.0002012100000000 ] - [ 0.0000000000000000, 0.0084892300000000, 0.0000000000000000 ] - [ 0.0002919800000000, 0.0082432100000000, 0.0000000000000000 ] - [ -0.0002919800000000, 0.0082432100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0079118500000000, 0.0000000000000000 ] - [ 0.0000098200000000, 0.0079133600000000, 0.0000000000000000 ] - [ -0.0000098200000000, 0.0079133600000000, 0.0000000000000000 ] - [ -0.0000914600000000, 0.0003082700000000, 0.0001196800000000 ] - [ 0.0000000000000000, 0.0002282900000000, 0.0001015500000000 ] - [ 0.0000914600000000, 0.0003082700000000, 0.0001196800000000 ] - [ 0.0000136900000000, 0.0000308600000000, -0.0000182500000000 ] - [ 0.0000000000000000, 0.0000157800000000, -0.0000215600000000 ] - [ -0.0000136900000000, 0.0000308600000000, -0.0000182500000000 ] - [ 0.0000136900000000, 0.0000308600000000, 0.0000182500000000 ] - [ 0.0000000000000000, 0.0000157800000000, 0.0000215600000000 ] - [ -0.0000136900000000, 0.0000308600000000, 0.0000182500000000 ] - [ -0.0000914600000000, 0.0003082700000000, -0.0001196800000000 ] - [ 0.0000000000000000, 0.0002282900000000, -0.0001015500000000 ] - [ 0.0000914600000000, 0.0003082700000000, -0.0001196800000000 ] - [ 0.0000000000000000, -0.0060088900000000, 0.0076196100000000 ] - [ 0.0004734600000000, -0.0014134100000000, -0.0002832700000000 ] - [ -0.0004734600000000, -0.0014134100000000, -0.0002832700000000 ] - [ 0.0000000000000000, -0.0002887500000000, 0.0001668700000000 ] - [ -0.0000800000000000, -0.0000708800000000, 0.0000450200000000 ] - [ 0.0000800000000000, -0.0000708800000000, 0.0000450200000000 ] - [ 0.0000000000000000, -0.0002887500000000, -0.0001668700000000 ] - [ -0.0000800000000000, -0.0000708800000000, -0.0000450200000000 ] - [ 0.0000800000000000, -0.0000708800000000, -0.0000450200000000 ] - [ 0.0000000000000000, -0.0060088900000000, -0.0076196100000000 ] - [ 0.0004734600000000, -0.0014134100000000, 0.0002832700000000 ] - [ -0.0004734600000000, -0.0014134100000000, 0.0002832700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001393300000000, -0.0118485600000000, -0.0006069500000000 ] - [ 0.0000000000000000, -0.0121379700000000, -0.0000971100000000 ] - [ -0.0001393300000000, -0.0118485600000000, -0.0006069500000000 ] - [ -0.0001410800000000, -0.0120142000000000, -0.0006047700000000 ] - [ 0.0000000000000000, -0.0117272100000000, -0.0000969600000000 ] - [ 0.0001410800000000, -0.0120142000000000, -0.0006047700000000 ] - [ 0.0000000000000000, 0.0119322300000000, 0.0002465600000000 ] - [ 0.0000000100000000, 0.0119323900000000, 0.0002145200000000 ] - [ -0.0000000100000000, 0.0119323900000000, 0.0002145200000000 ] - [ 0.0000000000000000, 0.0119324600000000, -0.0001685600000000 ] - [ 0.0000000000000000, 0.0119324400000000, -0.0001604700000000 ] - [ 0.0000000000000000, 0.0119324400000000, -0.0001604700000000 ] - [ 0.0000000000000000, -0.0119204700000000, -0.0000507500000000 ] - [ -0.0000007400000000, -0.0119402400000000, -0.0000500900000000 ] - [ 0.0000007400000000, -0.0119402400000000, -0.0000500900000000 ] - [ 0.0000000000000000, -0.0119445600000000, -0.0000502200000000 ] - [ 0.0000007500000000, -0.0119247700000000, -0.0000496600000000 ] - [ -0.0000007500000000, -0.0119247700000000, -0.0000496600000000 ] - [ -0.0000319800000000, 0.0119026300000000, 0.0009783900000000 ] - [ 0.0000000000000000, 0.0119323500000000, 0.0004130500000000 ] - [ 0.0000319800000000, 0.0119026300000000, 0.0009783900000000 ] - [ -0.0000000300000000, 0.0119326900000000, -0.0004545300000000 ] - [ 0.0000000000000000, 0.0119321700000000, -0.0002600700000000 ] - [ 0.0000000300000000, 0.0119326900000000, -0.0004545300000000 ] - [ -0.0000964600000000, 0.0198300300000000, -0.0052259100000000 ] - [ 0.0000000000000000, 0.0197873600000000, -0.0055505600000000 ] - [ 0.0000964600000000, 0.0198300300000000, -0.0052259100000000 ] - [ 0.0022525200000000, 0.0192358900000000, -0.0037932000000000 ] - [ 0.0000000000000000, 0.0196471500000000, -0.0058946900000000 ] - [ -0.0022525200000000, 0.0192358900000000, -0.0037932000000000 ] - [ 0.0000000000000000, -0.0197648500000000, 0.0056135100000000 ] - [ -0.0000066800000000, -0.0197576800000000, 0.0056375000000000 ] - [ 0.0000066800000000, -0.0197576800000000, 0.0056375000000000 ] - [ 0.0000000000000000, -0.0197487300000000, 0.0059786700000000 ] - [ -0.0000034800000000, -0.0197471000000000, 0.0059773800000000 ] - [ 0.0000034800000000, -0.0197471000000000, 0.0059773800000000 ] - [ 0.0000000000000000, -0.0068514100000000, -0.0479061700000000 ] - [ -0.0000036300000000, -0.0065256800000000, -0.0010120100000000 ] - [ 0.0000036300000000, -0.0065256800000000, -0.0010120100000000 ] - [ 0.0000000000000000, -0.0065266000000000, 0.0013307100000000 ] - [ 0.0000001400000000, -0.0065262100000000, 0.0005680200000000 ] - [ -0.0000001400000000, -0.0065262100000000, 0.0005680200000000 ] - [ -0.0000113200000000, 0.0065572000000000, 0.0000294300000000 ] - [ 0.0000000000000000, 0.0065660400000000, 0.0000349900000000 ] - [ 0.0000113200000000, 0.0065572000000000, 0.0000294300000000 ] - [ 0.0000112200000000, 0.0064948900000000, 0.0000288800000000 ] - [ 0.0000000000000000, 0.0064857400000000, 0.0000343300000000 ] - [ -0.0000112200000000, 0.0064948900000000, 0.0000288800000000 ] - [ -0.0022322900000000, 0.0202692100000000, 0.0078371000000000 ] - [ 0.0000000000000000, 0.0198667000000000, 0.0057497900000000 ] - [ 0.0022322900000000, 0.0202692100000000, 0.0078371000000000 ] - [ 0.0000976200000000, 0.0196829400000000, 0.0064194400000000 ] - [ 0.0000000000000000, 0.0197268300000000, 0.0060941300000000 ] - [ -0.0000976200000000, 0.0196829400000000, 0.0064194400000000 ] - [ 0.0000000000000000, -0.0197478700000000, -0.0060311500000000 ] - [ 0.0000063900000000, -0.0197560400000000, -0.0060069400000000 ] - [ -0.0000063900000000, -0.0197560400000000, -0.0060069400000000 ] - [ 0.0000000000000000, -0.0197654900000000, -0.0056664800000000 ] - [ 0.0000035200000000, -0.0197670700000000, -0.0056677600000000 ] - [ -0.0000035200000000, -0.0197670700000000, -0.0056677600000000 ] - [ 0.0000000000000000, 0.0196576500000000, -0.0057073400000000 ] - [ -0.0000178200000000, 0.0196975700000000, -0.0057158200000000 ] - [ 0.0000178200000000, 0.0196975700000000, -0.0057158200000000 ] - [ 0.0000000000000000, 0.0198956800000000, -0.0058654500000000 ] - [ 0.0000419800000000, 0.0198821300000000, -0.0058787200000000 ] - [ -0.0000419800000000, 0.0198821300000000, -0.0058787200000000 ] - [ 0.0022043400000000, -0.0176426100000000, 0.0066170300000000 ] - [ 0.0000000000000000, -0.0197642800000000, 0.0053327900000000 ] - [ -0.0022043400000000, -0.0176426100000000, 0.0066170300000000 ] - [ -0.0001852700000000, -0.0197645400000000, 0.0063999500000000 ] - [ 0.0000000000000000, -0.0197744900000000, 0.0061808200000000 ] - [ 0.0001852700000000, -0.0197645400000000, 0.0063999500000000 ] - [ -0.0000000900000000, -0.0065259300000000, -0.0002500400000000 ] - [ 0.0000000000000000, -0.0065260100000000, -0.0002479100000000 ] - [ 0.0000000900000000, -0.0065259300000000, -0.0002500400000000 ] - [ 0.0000001600000000, -0.0065259900000000, 0.0002043600000000 ] - [ 0.0000000000000000, -0.0065260100000000, 0.0002044500000000 ] - [ -0.0000001600000000, -0.0065259900000000, 0.0002043600000000 ] - [ 0.0000000000000000, 0.0058436900000000, 0.0048310200000000 ] - [ -0.0002937100000000, 0.0064130400000000, 0.0003795400000000 ] - [ 0.0002937100000000, 0.0064130400000000, 0.0003795400000000 ] - [ 0.0000000000000000, 0.0072092500000000, 0.0048633300000000 ] - [ 0.0002939400000000, 0.0066401600000000, 0.0003777000000000 ] - [ -0.0002939400000000, 0.0066401600000000, 0.0003777000000000 ] - [ 0.0000000000000000, 0.0196186300000000, 0.0057800700000000 ] - [ -0.0000419900000000, 0.0196320100000000, 0.0057671300000000 ] - [ 0.0000419900000000, 0.0196320100000000, 0.0057671300000000 ] - [ 0.0000000000000000, 0.0198566000000000, 0.0059372800000000 ] - [ 0.0000178600000000, 0.0198165600000000, 0.0059288700000000 ] - [ -0.0000178600000000, 0.0198165600000000, 0.0059288700000000 ] - [ -0.0022003400000000, -0.0218651100000000, -0.0050213000000000 ] - [ 0.0000000000000000, -0.0197500800000000, -0.0063117900000000 ] - [ 0.0022003400000000, -0.0218651100000000, -0.0050213000000000 ] - [ 0.0001861500000000, -0.0197494000000000, -0.0052447800000000 ] - [ 0.0000000000000000, -0.0197395100000000, -0.0054649200000000 ] - [ -0.0001861500000000, -0.0197494000000000, -0.0052447800000000 ] - [ 0.0000000000000000, -0.0082288500000000, -0.0001556200000000 ] - [ 0.0000820500000000, -0.0081474100000000, -0.0000963900000000 ] - [ -0.0000820500000000, -0.0081474100000000, -0.0000963900000000 ] - [ 0.0000000000000000, -0.0075709700000000, -0.0001543400000000 ] - [ -0.0000818300000000, -0.0076527800000000, -0.0000956800000000 ] - [ 0.0000818300000000, -0.0076527800000000, -0.0000956800000000 ] - [ -0.0000035900000000, 0.0079042000000000, 0.0000776100000000 ] - [ 0.0000000000000000, 0.0078991500000000, 0.0002115200000000 ] - [ 0.0000035900000000, 0.0079042000000000, 0.0000776100000000 ] - [ -0.0000000600000000, 0.0079004600000000, -0.0002160000000000 ] - [ 0.0000000000000000, 0.0079003100000000, -0.0001567700000000 ] - [ 0.0000000600000000, 0.0079004600000000, -0.0002160000000000 ] - [ 0.0000640400000000, -0.0075672500000000, -0.0001993800000000 ] - [ 0.0000000000000000, -0.0077720200000000, -0.0000442700000000 ] - [ -0.0000640400000000, -0.0075672500000000, -0.0001993800000000 ] - [ -0.0000647000000000, -0.0082337700000000, -0.0001983000000000 ] - [ 0.0000000000000000, -0.0080283200000000, -0.0000439800000000 ] - [ 0.0000647000000000, -0.0082337700000000, -0.0001983000000000 ] - [ 0.0000000000000000, 0.0079012400000000, 0.0006156600000000 ] - [ 0.0000001500000000, 0.0079005200000000, 0.0004992600000000 ] - [ -0.0000001500000000, 0.0079005200000000, 0.0004992600000000 ] - [ 0.0000000000000000, 0.0078998700000000, -0.0001869900000000 ] - [ -0.0000000800000000, 0.0078999500000000, -0.0001544500000000 ] - [ 0.0000000800000000, 0.0078999500000000, -0.0001544500000000 ] - [ 0.0000323100000000, 0.0000642600000000, 0.0002333300000000 ] - [ 0.0000000000000000, 0.0000672200000000, 0.0002356400000000 ] - [ -0.0000323100000000, 0.0000642600000000, 0.0002333300000000 ] - [ -0.0000213800000000, -0.0000397400000000, -0.0002277000000000 ] - [ 0.0000000000000000, -0.0000306200000000, -0.0002284200000000 ] - [ 0.0000213800000000, -0.0000397400000000, -0.0002277000000000 ] - [ 0.0000213100000000, 0.0000397600000000, -0.0002282100000000 ] - [ 0.0000000000000000, 0.0000306700000000, -0.0002288700000000 ] - [ -0.0000213100000000, 0.0000397600000000, -0.0002282100000000 ] - [ -0.0000319000000000, -0.0000648300000000, 0.0002340500000000 ] - [ 0.0000000000000000, -0.0000674300000000, 0.0002366500000000 ] - [ 0.0000319000000000, -0.0000648300000000, 0.0002340500000000 ] - [ 0.0000000000000000, -0.0057975300000000, 0.0125955100000000 ] - [ 0.0012074800000000, -0.0001019900000000, 0.0008115700000000 ] - [ -0.0012074800000000, -0.0001019900000000, 0.0008115700000000 ] - [ 0.0000000000000000, 0.0004438700000000, -0.0020862400000000 ] - [ -0.0002314100000000, -0.0000470000000000, -0.0007313500000000 ] - [ 0.0002314100000000, -0.0000470000000000, -0.0007313500000000 ] - [ 0.0000000000000000, -0.0004402200000000, -0.0020811600000000 ] - [ 0.0002301500000000, 0.0000467100000000, -0.0007328000000000 ] - [ -0.0002301500000000, 0.0000467100000000, -0.0007328000000000 ] - [ 0.0000000000000000, 0.0061724200000000, 0.0133855100000000 ] - [ -0.0012057100000000, 0.0001013200000000, 0.0008175200000000 ] - [ 0.0012057100000000, 0.0001013200000000, 0.0008175200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004321800000000, -0.0104898800000000, 0.0000000000000000 ] - [ 0.0002308500000000, -0.0119317200000000, 0.0000000000000000 ] - [ 0.0004301000000000, -0.0133657400000000, 0.0000000000000000 ] - [ 0.0000012100000000, -0.0119317700000000, 0.0000000000000000 ] - [ -0.0000016000000000, -0.0119323800000000, 0.0000000000000000 ] - [ 0.0000011900000000, -0.0119329100000000, 0.0000000000000000 ] - [ 0.0001244100000000, 0.0119332900000000, -0.0000010900000000 ] - [ -0.0000171000000000, 0.0118604200000000, 0.0001017800000000 ] - [ -0.0000167000000000, 0.0120041500000000, -0.0001008600000000 ] - [ 0.0001244100000000, 0.0119332900000000, 0.0000010900000000 ] - [ -0.0000171000000000, 0.0118604200000000, -0.0001017800000000 ] - [ -0.0000167000000000, 0.0120041500000000, 0.0001008600000000 ] - [ -0.0010222900000000, -0.0119329300000000, 0.0000000000000000 ] - [ 0.0003780500000000, -0.0120588600000000, 0.0000000000000000 ] - [ 0.0003832800000000, -0.0118051500000000, 0.0000000000000000 ] - [ 0.0000015200000000, -0.0119323300000000, 0.0000000000000000 ] - [ -0.0000012100000000, -0.0119346600000000, 0.0000000000000000 ] - [ -0.0000011800000000, -0.0119300200000000, 0.0000000000000000 ] - [ -0.0000304600000000, 0.0119282100000000, 0.0000898000000000 ] - [ 0.0000564300000000, 0.0119325800000000, 0.0000000500000000 ] - [ -0.0000307200000000, 0.0119371800000000, -0.0000900400000000 ] - [ -0.0000304600000000, 0.0119282100000000, -0.0000898000000000 ] - [ 0.0000564300000000, 0.0119325800000000, -0.0000000500000000 ] - [ -0.0000307200000000, 0.0119371800000000, 0.0000900400000000 ] - [ 0.0016957500000000, 0.0205487900000000, -0.0070916100000000 ] - [ -0.0004247900000000, 0.0197553800000000, -0.0058216200000000 ] - [ 0.0016684000000000, 0.0190023300000000, -0.0045873000000000 ] - [ 0.0000089200000000, 0.0197537800000000, -0.0058228200000000 ] - [ -0.0000198700000000, 0.0197571200000000, -0.0058224500000000 ] - [ 0.0000090500000000, 0.0197605200000000, -0.0058222300000000 ] - [ 0.0000185400000000, -0.0197569000000000, 0.0058228500000000 ] - [ -0.0000087700000000, -0.0197367200000000, 0.0057890100000000 ] - [ -0.0000089600000000, -0.0197767400000000, 0.0058557000000000 ] - [ 0.0000797500000000, -0.0197562000000000, 0.0058245100000000 ] - [ -0.0000809200000000, -0.0196173700000000, 0.0059512900000000 ] - [ -0.0000810600000000, -0.0198946300000000, 0.0056948800000000 ] - [ 0.0001404800000000, -0.0065261500000000, -0.0000005400000000 ] - [ -0.0000601600000000, -0.0065691700000000, -0.0000816700000000 ] - [ -0.0000603700000000, -0.0064826500000000, 0.0000819100000000 ] - [ 0.0001404800000000, -0.0065261500000000, 0.0000005400000000 ] - [ -0.0000601600000000, -0.0065691700000000, 0.0000816700000000 ] - [ -0.0000603700000000, -0.0064826500000000, -0.0000819100000000 ] - [ 0.0021934900000000, 0.0039957000000000, 0.0000000000000000 ] - [ -0.0002830300000000, 0.0065271700000000, 0.0000000000000000 ] - [ 0.0021612100000000, 0.0089932200000000, 0.0000000000000000 ] - [ 0.0000079800000000, 0.0065286700000000, 0.0000000000000000 ] - [ -0.0000081700000000, 0.0065262600000000, 0.0000000000000000 ] - [ 0.0000078100000000, 0.0065237000000000, 0.0000000000000000 ] - [ 0.0016957500000000, 0.0205487900000000, 0.0070916100000000 ] - [ -0.0004247900000000, 0.0197553800000000, 0.0058216200000000 ] - [ 0.0016684000000000, 0.0190023300000000, 0.0045873000000000 ] - [ 0.0000089200000000, 0.0197537800000000, 0.0058228200000000 ] - [ -0.0000198700000000, 0.0197571200000000, 0.0058224500000000 ] - [ 0.0000090500000000, 0.0197605200000000, 0.0058222300000000 ] - [ 0.0000797500000000, -0.0197562000000000, -0.0058245100000000 ] - [ -0.0000809200000000, -0.0196173700000000, -0.0059512900000000 ] - [ -0.0000810600000000, -0.0198946300000000, -0.0056948800000000 ] - [ 0.0000185400000000, -0.0197569000000000, -0.0058228500000000 ] - [ -0.0000087700000000, -0.0197367200000000, -0.0057890100000000 ] - [ -0.0000089600000000, -0.0197767400000000, -0.0058557000000000 ] - [ 0.0003259600000000, 0.0197572900000000, -0.0058219100000000 ] - [ -0.0001418200000000, 0.0198230900000000, -0.0057214200000000 ] - [ -0.0001434200000000, 0.0196905900000000, -0.0059244200000000 ] - [ 0.0000150100000000, 0.0197570700000000, -0.0058225100000000 ] - [ -0.0000087300000000, 0.0197592100000000, -0.0058213000000000 ] - [ -0.0000089300000000, 0.0197550500000000, -0.0058237100000000 ] - [ 0.0000196400000000, -0.0197482800000000, 0.0058137400000000 ] - [ -0.0000394800000000, -0.0197567700000000, 0.0058224700000000 ] - [ 0.0000198200000000, -0.0197654500000000, 0.0058311100000000 ] - [ 0.0001014800000000, -0.0198797800000000, 0.0058803600000000 ] - [ -0.0002332300000000, -0.0197561100000000, 0.0058226200000000 ] - [ 0.0001023200000000, -0.0196335000000000, 0.0057648100000000 ] - [ 0.0000802000000000, -0.0065419900000000, -0.0000644300000000 ] - [ -0.0000862700000000, -0.0065254800000000, -0.0000001900000000 ] - [ 0.0000792400000000, -0.0065101100000000, 0.0000644400000000 ] - [ 0.0000802000000000, -0.0065419900000000, 0.0000644300000000 ] - [ -0.0000862700000000, -0.0065254800000000, 0.0000001900000000 ] - [ 0.0000792400000000, -0.0065101100000000, -0.0000644400000000 ] - [ 0.0005025000000000, 0.0065260700000000, 0.0000000000000000 ] - [ -0.0003803900000000, 0.0062348900000000, 0.0000000000000000 ] - [ -0.0003800300000000, 0.0068167600000000, 0.0000000000000000 ] - [ 0.0000057400000000, 0.0065261700000000, 0.0000000000000000 ] - [ -0.0000040900000000, 0.0065164000000000, 0.0000000000000000 ] - [ -0.0000040900000000, 0.0065360800000000, 0.0000000000000000 ] - [ 0.0003259600000000, 0.0197572900000000, 0.0058219100000000 ] - [ -0.0001418200000000, 0.0198230900000000, 0.0057214200000000 ] - [ -0.0001434200000000, 0.0196905900000000, 0.0059244200000000 ] - [ 0.0000150100000000, 0.0197570700000000, 0.0058225100000000 ] - [ -0.0000087300000000, 0.0197592100000000, 0.0058213000000000 ] - [ -0.0000089300000000, 0.0197550500000000, 0.0058237100000000 ] - [ 0.0001014800000000, -0.0198797800000000, -0.0058803600000000 ] - [ -0.0002332300000000, -0.0197561100000000, -0.0058226200000000 ] - [ 0.0001023200000000, -0.0196335000000000, -0.0057648100000000 ] - [ 0.0000196400000000, -0.0197482800000000, -0.0058137400000000 ] - [ -0.0000394800000000, -0.0197567700000000, -0.0058224700000000 ] - [ 0.0000198200000000, -0.0197654500000000, -0.0058311100000000 ] - [ -0.0146416500000000, -0.0079395700000000, 0.0000000000000000 ] - [ 0.0019955800000000, -0.0078901800000000, 0.0000000000000000 ] - [ 0.0019754100000000, -0.0079093700000000, 0.0000000000000000 ] - [ -0.0000010600000000, -0.0079001600000000, 0.0000000000000000 ] - [ 0.0000017600000000, -0.0078962300000000, 0.0000000000000000 ] - [ 0.0000017500000000, -0.0079040100000000, 0.0000000000000000 ] - [ -0.0000208100000000, 0.0078472900000000, 0.0001386300000000 ] - [ 0.0000498600000000, 0.0079003900000000, 0.0000002300000000 ] - [ -0.0000204700000000, 0.0079531400000000, -0.0001382800000000 ] - [ -0.0000208100000000, 0.0078472900000000, -0.0001386300000000 ] - [ 0.0000498600000000, 0.0079003900000000, -0.0000002300000000 ] - [ -0.0000204700000000, 0.0079531400000000, 0.0001382800000000 ] - [ -0.0000303900000000, -0.0079004200000000, 0.0000000000000000 ] - [ 0.0000807500000000, -0.0078997600000000, 0.0000000000000000 ] - [ -0.0000305900000000, -0.0078994800000000, 0.0000000000000000 ] - [ 0.0000022000000000, -0.0078970100000000, 0.0000000000000000 ] - [ -0.0000012600000000, -0.0079001000000000, 0.0000000000000000 ] - [ 0.0000015400000000, -0.0079030500000000, 0.0000000000000000 ] - [ -0.0000171600000000, 0.0079004200000000, 0.0000000700000000 ] - [ 0.0000146200000000, 0.0078958200000000, 0.0000303500000000 ] - [ 0.0000146300000000, 0.0079050000000000, -0.0000304500000000 ] - [ -0.0000171600000000, 0.0079004200000000, -0.0000000700000000 ] - [ 0.0000146200000000, 0.0078958200000000, -0.0000303500000000 ] - [ 0.0000146300000000, 0.0079050000000000, 0.0000304500000000 ] - [ -0.0001957100000000, -0.0002256800000000, 0.0006149400000000 ] - [ 0.0003236100000000, -0.0000010900000000, -0.0000001900000000 ] - [ -0.0001946100000000, 0.0002251900000000, -0.0006139600000000 ] - [ -0.0000208200000000, -0.0000074300000000, -0.0000198200000000 ] - [ 0.0000384900000000, 0.0000001000000000, -0.0000002100000000 ] - [ -0.0000201700000000, 0.0000077800000000, 0.0000200300000000 ] - [ -0.0001957100000000, -0.0002256800000000, -0.0006149400000000 ] - [ 0.0003236100000000, -0.0000010900000000, 0.0000001900000000 ] - [ -0.0001946100000000, 0.0002251900000000, 0.0006139600000000 ] - [ -0.0000208200000000, -0.0000074300000000, 0.0000198200000000 ] - [ 0.0000384900000000, 0.0000001000000000, 0.0000002100000000 ] - [ -0.0000201700000000, 0.0000077800000000, -0.0000200300000000 ] - [ -0.0015214900000000, -0.0000007600000000, -0.0000003900000000 ] - [ 0.0007565700000000, 0.0004132900000000, 0.0003533600000000 ] - [ 0.0007579100000000, -0.0004126100000000, -0.0003510400000000 ] - [ 0.0000014200000000, 0.0000001900000000, -0.0000002000000000 ] - [ 0.0000040500000000, 0.0000228600000000, -0.0000559500000000 ] - [ 0.0000038700000000, -0.0000226600000000, 0.0000559800000000 ] - [ -0.0015214900000000, -0.0000007600000000, 0.0000003900000000 ] - [ 0.0007565700000000, 0.0004132900000000, -0.0003533600000000 ] - [ 0.0007579100000000, -0.0004126100000000, 0.0003510400000000 ] - [ 0.0000014200000000, 0.0000001900000000, 0.0000002000000000 ] - [ 0.0000040500000000, 0.0000228600000000, 0.0000559500000000 ] - [ 0.0000038700000000, -0.0000226600000000, -0.0000559800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013821600000000, -0.0102633500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0120697500000000, 0.0000000000000000 ] - [ -0.0013821600000000, -0.0102633500000000, 0.0000000000000000 ] - [ -0.0000008500000000, -0.0119251400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119223700000000, 0.0000000000000000 ] - [ 0.0000008500000000, -0.0119251400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0122963700000000, -0.0004418700000000 ] - [ -0.0000438900000000, 0.0119196600000000, -0.0000761200000000 ] - [ 0.0000438900000000, 0.0119196600000000, -0.0000761200000000 ] - [ 0.0000000000000000, 0.0122963700000000, 0.0004418700000000 ] - [ -0.0000438900000000, 0.0119196600000000, 0.0000761200000000 ] - [ 0.0000438900000000, 0.0119196600000000, 0.0000761200000000 ] - [ 0.0000000000000000, -0.0111418000000000, 0.0000000000000000 ] - [ -0.0005828800000000, -0.0114152500000000, 0.0000000000000000 ] - [ 0.0005828800000000, -0.0114152500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119169000000000, 0.0000000000000000 ] - [ -0.0000066700000000, -0.0119126900000000, 0.0000000000000000 ] - [ 0.0000066700000000, -0.0119126900000000, 0.0000000000000000 ] - [ 0.0000193200000000, 0.0119893800000000, 0.0001273500000000 ] - [ 0.0000000000000000, 0.0119807000000000, 0.0000580300000000 ] - [ -0.0000193200000000, 0.0119893800000000, 0.0001273500000000 ] - [ 0.0000193200000000, 0.0119893800000000, -0.0001273500000000 ] - [ 0.0000000000000000, 0.0119807000000000, -0.0000580300000000 ] - [ -0.0000193200000000, 0.0119893800000000, -0.0001273500000000 ] - [ 0.0009172700000000, 0.0206064500000000, -0.0067664500000000 ] - [ 0.0000000000000000, 0.0198460500000000, -0.0057964600000000 ] - [ -0.0009172700000000, 0.0206064500000000, -0.0067664500000000 ] - [ -0.0000033900000000, 0.0198291500000000, -0.0058659500000000 ] - [ 0.0000000000000000, 0.0198228500000000, -0.0058642200000000 ] - [ 0.0000033900000000, 0.0198291500000000, -0.0058659500000000 ] - [ 0.0000000000000000, -0.0197346300000000, 0.0060807500000000 ] - [ 0.0000268000000000, -0.0196812000000000, 0.0058932000000000 ] - [ -0.0000268000000000, -0.0196812000000000, 0.0058932000000000 ] - [ 0.0000000000000000, -0.0197275400000000, 0.0062121800000000 ] - [ 0.0001457300000000, -0.0196459000000000, 0.0056750600000000 ] - [ -0.0001457300000000, -0.0196459000000000, 0.0056750600000000 ] - [ 0.0000000000000000, -0.0065654800000000, -0.0003291800000000 ] - [ -0.0000469900000000, -0.0065429600000000, -0.0002465000000000 ] - [ 0.0000469900000000, -0.0065429600000000, -0.0002465000000000 ] - [ 0.0000000000000000, -0.0065654800000000, 0.0003291800000000 ] - [ -0.0000469900000000, -0.0065429600000000, 0.0002465000000000 ] - [ 0.0000469900000000, -0.0065429600000000, 0.0002465000000000 ] - [ -0.0028423600000000, 0.0092945900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065147800000000, 0.0000000000000000 ] - [ 0.0028423600000000, 0.0092945900000000, 0.0000000000000000 ] - [ 0.0000285300000000, 0.0065310200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065533100000000, 0.0000000000000000 ] - [ -0.0000285300000000, 0.0065310200000000, 0.0000000000000000 ] - [ 0.0009172700000000, 0.0206064500000000, 0.0067664500000000 ] - [ 0.0000000000000000, 0.0198460500000000, 0.0057964600000000 ] - [ -0.0009172700000000, 0.0206064500000000, 0.0067664500000000 ] - [ -0.0000033900000000, 0.0198291500000000, 0.0058659500000000 ] - [ 0.0000000000000000, 0.0198228500000000, 0.0058642200000000 ] - [ 0.0000033900000000, 0.0198291500000000, 0.0058659500000000 ] - [ 0.0000000000000000, -0.0197275400000000, -0.0062121800000000 ] - [ 0.0001457300000000, -0.0196459000000000, -0.0056750600000000 ] - [ -0.0001457300000000, -0.0196459000000000, -0.0056750600000000 ] - [ 0.0000000000000000, -0.0197346300000000, -0.0060807500000000 ] - [ 0.0000268000000000, -0.0196812000000000, -0.0058932000000000 ] - [ -0.0000268000000000, -0.0196812000000000, -0.0058932000000000 ] - [ 0.0000000000000000, 0.0193101700000000, -0.0061000100000000 ] - [ 0.0002032200000000, 0.0194983700000000, -0.0059728700000000 ] - [ -0.0002032200000000, 0.0194983700000000, -0.0059728700000000 ] - [ 0.0000000000000000, 0.0197042200000000, -0.0057782300000000 ] - [ 0.0000259000000000, 0.0197119400000000, -0.0057861500000000 ] - [ -0.0000259000000000, 0.0197119400000000, -0.0057861500000000 ] - [ -0.0000134000000000, -0.0198249500000000, 0.0057120700000000 ] - [ 0.0000000000000000, -0.0198255700000000, 0.0057198300000000 ] - [ 0.0000134000000000, -0.0198249500000000, 0.0057120700000000 ] - [ -0.0000901000000000, -0.0200934100000000, 0.0060508000000000 ] - [ 0.0000000000000000, -0.0199909700000000, 0.0060533900000000 ] - [ 0.0000901000000000, -0.0200934100000000, 0.0060508000000000 ] - [ 0.0001312600000000, -0.0066589900000000, 0.0003324600000000 ] - [ 0.0000000000000000, -0.0065404300000000, 0.0001279700000000 ] - [ -0.0001312600000000, -0.0066589900000000, 0.0003324600000000 ] - [ 0.0001312600000000, -0.0066589900000000, -0.0003324600000000 ] - [ 0.0000000000000000, -0.0065404300000000, -0.0001279700000000 ] - [ -0.0001312600000000, -0.0066589900000000, -0.0003324600000000 ] - [ 0.0000000000000000, 0.0059417300000000, 0.0000000000000000 ] - [ -0.0003686300000000, 0.0061953100000000, 0.0000000000000000 ] - [ 0.0003686300000000, 0.0061953100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065249100000000, 0.0000000000000000 ] - [ 0.0000038000000000, 0.0065227200000000, 0.0000000000000000 ] - [ -0.0000038000000000, 0.0065227200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0193101700000000, 0.0061000100000000 ] - [ 0.0002032200000000, 0.0194983700000000, 0.0059728700000000 ] - [ -0.0002032200000000, 0.0194983700000000, 0.0059728700000000 ] - [ 0.0000000000000000, 0.0197042200000000, 0.0057782300000000 ] - [ 0.0000259000000000, 0.0197119400000000, 0.0057861500000000 ] - [ -0.0000259000000000, 0.0197119400000000, 0.0057861500000000 ] - [ -0.0000901000000000, -0.0200934100000000, -0.0060508000000000 ] - [ 0.0000000000000000, -0.0199909700000000, -0.0060533900000000 ] - [ 0.0000901000000000, -0.0200934100000000, -0.0060508000000000 ] - [ -0.0000134000000000, -0.0198249500000000, -0.0057120700000000 ] - [ 0.0000000000000000, -0.0198255700000000, -0.0057198300000000 ] - [ 0.0000134000000000, -0.0198249500000000, -0.0057120700000000 ] - [ 0.0000000000000000, -0.0244561500000000, 0.0000000000000000 ] - [ -0.0000123700000000, -0.0086342800000000, 0.0000000000000000 ] - [ 0.0000123700000000, -0.0086342800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0080503600000000, 0.0000000000000000 ] - [ -0.0000038400000000, -0.0080237200000000, 0.0000000000000000 ] - [ 0.0000038400000000, -0.0080237200000000, 0.0000000000000000 ] - [ -0.0000528600000000, 0.0075592400000000, 0.0000688200000000 ] - [ 0.0000000000000000, 0.0076895400000000, 0.0000170400000000 ] - [ 0.0000528600000000, 0.0075592400000000, 0.0000688200000000 ] - [ -0.0000528600000000, 0.0075592400000000, -0.0000688200000000 ] - [ 0.0000000000000000, 0.0076895400000000, -0.0000170400000000 ] - [ 0.0000528600000000, 0.0075592400000000, -0.0000688200000000 ] - [ 0.0000010600000000, -0.0074445900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0075400700000000, 0.0000000000000000 ] - [ -0.0000010600000000, -0.0074445900000000, 0.0000000000000000 ] - [ -0.0000027000000000, -0.0077493200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077556400000000, 0.0000000000000000 ] - [ 0.0000027000000000, -0.0077493200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0081803200000000, -0.0000081500000000 ] - [ -0.0000044800000000, 0.0081480900000000, 0.0000079700000000 ] - [ 0.0000044800000000, 0.0081480900000000, 0.0000079700000000 ] - [ 0.0000000000000000, 0.0081803200000000, 0.0000081500000000 ] - [ -0.0000044800000000, 0.0081480900000000, -0.0000079700000000 ] - [ 0.0000044800000000, 0.0081480900000000, -0.0000079700000000 ] - [ -0.0004471100000000, 0.0004230300000000, -0.0007446300000000 ] - [ 0.0000000000000000, -0.0000225300000000, -0.0001951100000000 ] - [ 0.0004471100000000, 0.0004230300000000, -0.0007446300000000 ] - [ -0.0000956400000000, 0.0000272100000000, 0.0002141200000000 ] - [ 0.0000000000000000, 0.0000121100000000, 0.0000884300000000 ] - [ 0.0000956400000000, 0.0000272100000000, 0.0002141200000000 ] - [ -0.0004471100000000, 0.0004230300000000, 0.0007446300000000 ] - [ 0.0000000000000000, -0.0000225300000000, 0.0001951100000000 ] - [ 0.0004471100000000, 0.0004230300000000, 0.0007446300000000 ] - [ -0.0000956400000000, 0.0000272100000000, -0.0002141200000000 ] - [ 0.0000000000000000, 0.0000121100000000, -0.0000884300000000 ] - [ 0.0000956400000000, 0.0000272100000000, -0.0002141200000000 ] - [ 0.0000000000000000, 0.0013348200000000, 0.0012481900000000 ] - [ 0.0005671500000000, 0.0005754300000000, 0.0004937800000000 ] - [ -0.0005671500000000, 0.0005754300000000, 0.0004937800000000 ] - [ 0.0000000000000000, 0.0000180300000000, -0.0002144300000000 ] - [ -0.0000085000000000, 0.0000073600000000, -0.0001663600000000 ] - [ 0.0000085000000000, 0.0000073600000000, -0.0001663600000000 ] - [ 0.0000000000000000, 0.0013348200000000, -0.0012481900000000 ] - [ 0.0005671500000000, 0.0005754300000000, -0.0004937800000000 ] - [ -0.0005671500000000, 0.0005754300000000, -0.0004937800000000 ] - [ 0.0000000000000000, 0.0000180300000000, 0.0002144300000000 ] - [ -0.0000085000000000, 0.0000073600000000, 0.0001663600000000 ] - [ 0.0000085000000000, 0.0000073600000000, 0.0001663600000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013562000000000, -0.0135506700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0117696200000000, 0.0000000000000000 ] - [ 0.0013562000000000, -0.0135506700000000, 0.0000000000000000 ] - [ 0.0000009000000000, -0.0119134600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119163300000000, 0.0000000000000000 ] - [ -0.0000009000000000, -0.0119134600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0115943100000000, 0.0004391000000000 ] - [ 0.0000439300000000, 0.0119711600000000, 0.0000759900000000 ] - [ -0.0000439300000000, 0.0119711600000000, 0.0000759900000000 ] - [ 0.0000000000000000, 0.0115943100000000, -0.0004391000000000 ] - [ 0.0000439300000000, 0.0119711600000000, -0.0000759900000000 ] - [ -0.0000439300000000, 0.0119711600000000, -0.0000759900000000 ] - [ 0.0000000000000000, -0.0127023500000000, 0.0000000000000000 ] - [ 0.0005764900000000, -0.0124226100000000, 0.0000000000000000 ] - [ -0.0005764900000000, -0.0124226100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0119216900000000, 0.0000000000000000 ] - [ 0.0000067200000000, -0.0119260500000000, 0.0000000000000000 ] - [ -0.0000067200000000, -0.0119260500000000, 0.0000000000000000 ] - [ -0.0000190800000000, 0.0119016300000000, -0.0001271700000000 ] - [ 0.0000000000000000, 0.0119105100000000, -0.0000581800000000 ] - [ 0.0000190800000000, 0.0119016300000000, -0.0001271700000000 ] - [ -0.0000190800000000, 0.0119016300000000, 0.0001271700000000 ] - [ 0.0000000000000000, 0.0119105100000000, 0.0000581800000000 ] - [ 0.0000190800000000, 0.0119016300000000, 0.0001271700000000 ] - [ -0.0008957500000000, 0.0189514700000000, -0.0048993900000000 ] - [ 0.0000000000000000, 0.0196946000000000, -0.0058488200000000 ] - [ 0.0008957500000000, 0.0189514700000000, -0.0048993900000000 ] - [ 0.0000032800000000, 0.0197113700000000, -0.0057791500000000 ] - [ 0.0000000000000000, 0.0197176800000000, -0.0057807100000000 ] - [ -0.0000032800000000, 0.0197113700000000, -0.0057791500000000 ] - [ 0.0000000000000000, -0.0197528400000000, 0.0055640300000000 ] - [ -0.0000268700000000, -0.0198063000000000, 0.0057519100000000 ] - [ 0.0000268700000000, -0.0198063000000000, 0.0057519100000000 ] - [ 0.0000000000000000, -0.0197643500000000, 0.0054208200000000 ] - [ -0.0001462900000000, -0.0198413800000000, 0.0059699500000000 ] - [ 0.0001462900000000, -0.0198413800000000, 0.0059699500000000 ] - [ 0.0000000000000000, -0.0064605500000000, 0.0003275000000000 ] - [ 0.0000469300000000, -0.0064827100000000, 0.0002464800000000 ] - [ -0.0000469300000000, -0.0064827100000000, 0.0002464800000000 ] - [ 0.0000000000000000, -0.0064605500000000, -0.0003275000000000 ] - [ 0.0000469300000000, -0.0064827100000000, -0.0002464800000000 ] - [ -0.0000469300000000, -0.0064827100000000, -0.0002464800000000 ] - [ 0.0029315200000000, 0.0036931100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065629700000000, 0.0000000000000000 ] - [ -0.0029315200000000, 0.0036931100000000, 0.0000000000000000 ] - [ -0.0000285300000000, 0.0065473200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065251100000000, 0.0000000000000000 ] - [ 0.0000285300000000, 0.0065473200000000, 0.0000000000000000 ] - [ -0.0008957500000000, 0.0189514700000000, 0.0048993900000000 ] - [ 0.0000000000000000, 0.0196946000000000, 0.0058488200000000 ] - [ 0.0008957500000000, 0.0189514700000000, 0.0048993900000000 ] - [ 0.0000032800000000, 0.0197113700000000, 0.0057791500000000 ] - [ 0.0000000000000000, 0.0197176800000000, 0.0057807100000000 ] - [ -0.0000032800000000, 0.0197113700000000, 0.0057791500000000 ] - [ 0.0000000000000000, -0.0197643500000000, -0.0054208200000000 ] - [ -0.0001462900000000, -0.0198413800000000, -0.0059699500000000 ] - [ 0.0001462900000000, -0.0198413800000000, -0.0059699500000000 ] - [ 0.0000000000000000, -0.0197528400000000, -0.0055640300000000 ] - [ -0.0000268700000000, -0.0198063000000000, -0.0057519100000000 ] - [ 0.0000268700000000, -0.0198063000000000, -0.0057519100000000 ] - [ 0.0000000000000000, 0.0202308400000000, -0.0055427300000000 ] - [ -0.0002016900000000, 0.0200400000000000, -0.0056746800000000 ] - [ 0.0002016900000000, 0.0200400000000000, -0.0056746800000000 ] - [ 0.0000000000000000, 0.0198360100000000, -0.0058667100000000 ] - [ -0.0000257500000000, 0.0198283600000000, -0.0058587100000000 ] - [ 0.0000257500000000, 0.0198283600000000, -0.0058587100000000 ] - [ 0.0000131900000000, -0.0196629300000000, 0.0059325200000000 ] - [ 0.0000000000000000, -0.0196622700000000, 0.0059251300000000 ] - [ -0.0000131900000000, -0.0196629300000000, 0.0059325200000000 ] - [ 0.0000887700000000, -0.0193947400000000, 0.0055953300000000 ] - [ 0.0000000000000000, -0.0194967400000000, 0.0055917200000000 ] - [ -0.0000887700000000, -0.0193947400000000, 0.0055953300000000 ] - [ -0.0001305400000000, -0.0063674500000000, -0.0003325700000000 ] - [ 0.0000000000000000, -0.0064850200000000, -0.0001275100000000 ] - [ 0.0001305400000000, -0.0063674500000000, -0.0003325700000000 ] - [ -0.0001305400000000, -0.0063674500000000, 0.0003325700000000 ] - [ 0.0000000000000000, -0.0064850200000000, 0.0001275100000000 ] - [ 0.0001305400000000, -0.0063674500000000, 0.0003325700000000 ] - [ 0.0000000000000000, 0.0071272100000000, 0.0000000000000000 ] - [ 0.0003674300000000, 0.0068823700000000, 0.0000000000000000 ] - [ -0.0003674300000000, 0.0068823700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0065534400000000, 0.0000000000000000 ] - [ -0.0000038900000000, 0.0065556200000000, 0.0000000000000000 ] - [ 0.0000038900000000, 0.0065556200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0202308400000000, 0.0055427300000000 ] - [ -0.0002016900000000, 0.0200400000000000, 0.0056746800000000 ] - [ 0.0002016900000000, 0.0200400000000000, 0.0056746800000000 ] - [ 0.0000000000000000, 0.0198360100000000, 0.0058667100000000 ] - [ -0.0000257500000000, 0.0198283600000000, 0.0058587100000000 ] - [ 0.0000257500000000, 0.0198283600000000, 0.0058587100000000 ] - [ 0.0000887700000000, -0.0193947400000000, -0.0055953300000000 ] - [ 0.0000000000000000, -0.0194967400000000, -0.0055917200000000 ] - [ -0.0000887700000000, -0.0193947400000000, -0.0055953300000000 ] - [ 0.0000131900000000, -0.0196629300000000, -0.0059325200000000 ] - [ 0.0000000000000000, -0.0196622700000000, -0.0059251300000000 ] - [ -0.0000131900000000, -0.0196629300000000, -0.0059325200000000 ] - [ 0.0000000000000000, 0.0049713100000000, 0.0000000000000000 ] - [ 0.0000047300000000, -0.0071409500000000, 0.0000000000000000 ] - [ -0.0000047300000000, -0.0071409500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077239800000000, 0.0000000000000000 ] - [ 0.0000038800000000, -0.0077507300000000, 0.0000000000000000 ] - [ -0.0000038800000000, -0.0077507300000000, 0.0000000000000000 ] - [ 0.0000527700000000, 0.0082668400000000, -0.0000688200000000 ] - [ 0.0000000000000000, 0.0081369000000000, -0.0000170200000000 ] - [ -0.0000527700000000, 0.0082668400000000, -0.0000688200000000 ] - [ 0.0000527700000000, 0.0082668400000000, 0.0000688200000000 ] - [ 0.0000000000000000, 0.0081369000000000, 0.0000170200000000 ] - [ -0.0000527700000000, 0.0082668400000000, 0.0000688200000000 ] - [ 0.0000001300000000, -0.0083277700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0082325000000000, 0.0000000000000000 ] - [ -0.0000001300000000, -0.0083277700000000, 0.0000000000000000 ] - [ 0.0000033700000000, -0.0080245200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0080182900000000, 0.0000000000000000 ] - [ -0.0000033700000000, -0.0080245200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076469700000000, 0.0000084700000000 ] - [ 0.0000046900000000, 0.0076793400000000, -0.0000082600000000 ] - [ -0.0000046900000000, 0.0076793400000000, -0.0000082600000000 ] - [ 0.0000000000000000, 0.0076469700000000, -0.0000084700000000 ] - [ 0.0000046900000000, 0.0076793400000000, 0.0000082600000000 ] - [ -0.0000046900000000, 0.0076793400000000, 0.0000082600000000 ] - [ 0.0004492400000000, -0.0003985900000000, 0.0007455100000000 ] - [ 0.0000000000000000, 0.0000465500000000, 0.0001936100000000 ] - [ -0.0004492400000000, -0.0003985900000000, 0.0007455100000000 ] - [ 0.0000954300000000, -0.0000009000000000, -0.0002138000000000 ] - [ 0.0000000000000000, 0.0000140600000000, -0.0000880600000000 ] - [ -0.0000954300000000, -0.0000009000000000, -0.0002138000000000 ] - [ 0.0004492400000000, -0.0003985900000000, -0.0007455100000000 ] - [ 0.0000000000000000, 0.0000465500000000, -0.0001936100000000 ] - [ -0.0004492400000000, -0.0003985900000000, -0.0007455100000000 ] - [ 0.0000954300000000, -0.0000009000000000, 0.0002138000000000 ] - [ 0.0000000000000000, 0.0000140600000000, 0.0000880600000000 ] - [ -0.0000954300000000, -0.0000009000000000, 0.0002138000000000 ] - [ 0.0000000000000000, -0.0012971700000000, -0.0012333200000000 ] - [ -0.0005643100000000, -0.0005476000000000, -0.0004908200000000 ] - [ 0.0005643100000000, -0.0005476000000000, -0.0004908200000000 ] - [ 0.0000000000000000, 0.0000083100000000, 0.0002137300000000 ] - [ 0.0000088100000000, 0.0000188700000000, 0.0001662500000000 ] - [ -0.0000088100000000, 0.0000188700000000, 0.0001662500000000 ] - [ 0.0000000000000000, -0.0012971700000000, 0.0012333200000000 ] - [ -0.0005643100000000, -0.0005476000000000, 0.0004908200000000 ] - [ 0.0005643100000000, -0.0005476000000000, 0.0004908200000000 ] - [ 0.0000000000000000, 0.0000083100000000, -0.0002137300000000 ] - [ 0.0000088100000000, 0.0000188700000000, -0.0001662500000000 ] - [ -0.0000088100000000, 0.0000188700000000, -0.0001662500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000027800000000, -0.0119351100000000, -0.0013355900000000 ] - [ 0.0000000000000000, -0.0119326100000000, -0.0002403400000000 ] - [ 0.0000027800000000, -0.0119351100000000, -0.0013355900000000 ] - [ 0.0000000100000000, -0.0119322600000000, 0.0001101500000000 ] - [ 0.0000000000000000, -0.0119323200000000, 0.0000875100000000 ] - [ -0.0000000100000000, -0.0119322600000000, 0.0001101500000000 ] - [ 0.0000000000000000, 0.0115560400000000, 0.0007437200000000 ] - [ 0.0000677100000000, 0.0119709000000000, 0.0000789000000000 ] - [ -0.0000677100000000, 0.0119709000000000, 0.0000789000000000 ] - [ 0.0000000000000000, 0.0123086400000000, 0.0007434300000000 ] - [ -0.0000676300000000, 0.0118938400000000, 0.0000786400000000 ] - [ 0.0000676300000000, 0.0118938400000000, 0.0000786400000000 ] - [ 0.0000000000000000, -0.0119309200000000, -0.0003011200000000 ] - [ -0.0000020200000000, -0.0119311700000000, -0.0000634800000000 ] - [ 0.0000020200000000, -0.0119311700000000, -0.0000634800000000 ] - [ 0.0000000000000000, -0.0119322900000000, 0.0001355800000000 ] - [ 0.0000000000000000, -0.0119322900000000, 0.0001018600000000 ] - [ 0.0000000000000000, -0.0119322900000000, 0.0001018600000000 ] - [ 0.0000418400000000, 0.0119700900000000, 0.0000956600000000 ] - [ 0.0000000000000000, 0.0119623400000000, 0.0000417300000000 ] - [ -0.0000418400000000, 0.0119700900000000, 0.0000956600000000 ] - [ -0.0000414300000000, 0.0118946800000000, 0.0000958300000000 ] - [ 0.0000000000000000, 0.0119023500000000, 0.0000417600000000 ] - [ 0.0000414300000000, 0.0118946800000000, 0.0000958300000000 ] - [ -0.0013012200000000, 0.0188940400000000, -0.0038744300000000 ] - [ 0.0000000000000000, 0.0197604800000000, -0.0056426100000000 ] - [ 0.0013012200000000, 0.0188940400000000, -0.0038744300000000 ] - [ -0.0000078900000000, 0.0197537400000000, -0.0059431800000000 ] - [ 0.0000000000000000, 0.0197609400000000, -0.0059250800000000 ] - [ 0.0000078900000000, 0.0197537400000000, -0.0059431800000000 ] - [ 0.0000000000000000, -0.0196659900000000, 0.0055199800000000 ] - [ -0.0000406700000000, -0.0197400600000000, 0.0057294000000000 ] - [ 0.0000406700000000, -0.0197400600000000, 0.0057294000000000 ] - [ 0.0000000000000000, -0.0198015100000000, 0.0067977800000000 ] - [ 0.0001477000000000, -0.0198554600000000, 0.0058521600000000 ] - [ -0.0001477000000000, -0.0198554600000000, 0.0058521600000000 ] - [ 0.0000000000000000, -0.0066071600000000, -0.0001529400000000 ] - [ -0.0000243800000000, -0.0065565700000000, -0.0000947700000000 ] - [ 0.0000243800000000, -0.0065565700000000, -0.0000947700000000 ] - [ 0.0000000000000000, -0.0064449900000000, -0.0001528900000000 ] - [ 0.0000243900000000, -0.0064950500000000, -0.0000953500000000 ] - [ -0.0000243900000000, -0.0064950500000000, -0.0000953500000000 ] - [ -0.0000042500000000, 0.0065299400000000, 0.0000779500000000 ] - [ 0.0000000000000000, 0.0065259400000000, 0.0002119000000000 ] - [ 0.0000042500000000, 0.0065299400000000, 0.0000779500000000 ] - [ -0.0000000400000000, 0.0065261500000000, -0.0002155800000000 ] - [ 0.0000000000000000, 0.0065261100000000, -0.0001567400000000 ] - [ 0.0000000400000000, 0.0065261500000000, -0.0002155800000000 ] - [ 0.0013407200000000, 0.0206594600000000, 0.0078023700000000 ] - [ 0.0000000000000000, 0.0197535600000000, 0.0060021800000000 ] - [ -0.0013407200000000, 0.0206594600000000, 0.0078023700000000 ] - [ 0.0000078100000000, 0.0197603600000000, 0.0057018700000000 ] - [ 0.0000000000000000, 0.0197532100000000, 0.0057197900000000 ] - [ -0.0000078100000000, 0.0197603600000000, 0.0057018700000000 ] - [ 0.0000000000000000, -0.0197423200000000, -0.0047967300000000 ] - [ -0.0001487300000000, -0.0196575800000000, -0.0057925900000000 ] - [ 0.0001487300000000, -0.0196575800000000, -0.0057925900000000 ] - [ 0.0000000000000000, -0.0198475000000000, -0.0061246900000000 ] - [ 0.0000405900000000, -0.0197735600000000, -0.0059155900000000 ] - [ -0.0000405900000000, -0.0197735600000000, -0.0059155900000000 ] - [ 0.0000000000000000, 0.0195416000000000, -0.0055045000000000 ] - [ 0.0000689400000000, 0.0196698400000000, -0.0055778400000000 ] - [ -0.0000689400000000, 0.0196698400000000, -0.0055778400000000 ] - [ 0.0000000000000000, 0.0197808600000000, -0.0059646800000000 ] - [ -0.0000261000000000, 0.0197629600000000, -0.0059726300000000 ] - [ 0.0000261000000000, 0.0197629600000000, -0.0059726300000000 ] - [ -0.0000163300000000, -0.0197577100000000, 0.0057221200000000 ] - [ 0.0000000000000000, -0.0197539000000000, 0.0057448600000000 ] - [ 0.0000163300000000, -0.0197577100000000, 0.0057221200000000 ] - [ 0.0000483500000000, -0.0194301400000000, 0.0057376500000000 ] - [ 0.0000000000000000, -0.0194845000000000, 0.0058222300000000 ] - [ -0.0000483500000000, -0.0194301400000000, 0.0057376500000000 ] - [ -0.0002386100000000, -0.0063249900000000, -0.0001981800000000 ] - [ 0.0000000000000000, -0.0064908900000000, -0.0000423700000000 ] - [ 0.0002386100000000, -0.0063249900000000, -0.0001981800000000 ] - [ 0.0002382500000000, -0.0067264500000000, -0.0001982500000000 ] - [ 0.0000000000000000, -0.0065606000000000, -0.0000425900000000 ] - [ -0.0002382500000000, -0.0067264500000000, -0.0001982500000000 ] - [ 0.0000000000000000, 0.0065259700000000, 0.0006159100000000 ] - [ -0.0000006600000000, 0.0065253800000000, 0.0004997800000000 ] - [ 0.0000006600000000, 0.0065253800000000, 0.0004997800000000 ] - [ 0.0000000000000000, 0.0065260500000000, -0.0001868700000000 ] - [ -0.0000000400000000, 0.0065261300000000, -0.0001547500000000 ] - [ 0.0000000400000000, 0.0065261300000000, -0.0001547500000000 ] - [ 0.0000000000000000, 0.0199735900000000, 0.0061430300000000 ] - [ -0.0000689100000000, 0.0198443700000000, 0.0060690400000000 ] - [ 0.0000689100000000, 0.0198443700000000, 0.0060690400000000 ] - [ 0.0000000000000000, 0.0197333400000000, 0.0056803500000000 ] - [ 0.0000260900000000, 0.0197512900000000, 0.0056724300000000 ] - [ -0.0000260900000000, 0.0197512900000000, 0.0056724300000000 ] - [ -0.0000488700000000, -0.0200843600000000, -0.0059081000000000 ] - [ 0.0000000000000000, -0.0200288100000000, -0.0058226000000000 ] - [ 0.0000488700000000, -0.0200843600000000, -0.0059081000000000 ] - [ 0.0000162100000000, -0.0197560400000000, -0.0059229000000000 ] - [ 0.0000000000000000, -0.0197597800000000, -0.0059002000000000 ] - [ -0.0000162100000000, -0.0197560400000000, -0.0059229000000000 ] - [ 0.0000000000000000, -0.0079671900000000, -0.0083930600000000 ] - [ -0.0000023900000000, -0.0079005700000000, -0.0005821300000000 ] - [ 0.0000023900000000, -0.0079005700000000, -0.0005821300000000 ] - [ 0.0000000000000000, -0.0079000600000000, 0.0001074400000000 ] - [ 0.0000000000000000, -0.0079001000000000, 0.0000699800000000 ] - [ 0.0000000000000000, -0.0079001000000000, 0.0000699800000000 ] - [ 0.0001390800000000, 0.0079694300000000, 0.0002579500000000 ] - [ 0.0000000000000000, 0.0079174100000000, 0.0000459400000000 ] - [ -0.0001390800000000, 0.0079694300000000, 0.0002579500000000 ] - [ -0.0001378000000000, 0.0078315900000000, 0.0002556700000000 ] - [ 0.0000000000000000, 0.0078832700000000, 0.0000458000000000 ] - [ 0.0001378000000000, 0.0078315900000000, 0.0002556700000000 ] - [ -0.0000000200000000, -0.0078998600000000, -0.0001438000000000 ] - [ 0.0000000000000000, -0.0078996400000000, -0.0001321400000000 ] - [ 0.0000000200000000, -0.0078998600000000, -0.0001438000000000 ] - [ 0.0000003400000000, -0.0079000900000000, 0.0000763400000000 ] - [ 0.0000000000000000, -0.0079001400000000, 0.0000653500000000 ] - [ -0.0000003400000000, -0.0079000900000000, 0.0000763400000000 ] - [ 0.0000000000000000, 0.0078920300000000, 0.0000487500000000 ] - [ 0.0000304700000000, 0.0079084300000000, 0.0000269000000000 ] - [ -0.0000304700000000, 0.0079084300000000, 0.0000269000000000 ] - [ 0.0000000000000000, 0.0079086500000000, 0.0000487900000000 ] - [ -0.0000303400000000, 0.0078922300000000, 0.0000270800000000 ] - [ 0.0000303400000000, 0.0078922300000000, 0.0000270800000000 ] - [ 0.0007572200000000, -0.0006135400000000, -0.0006503600000000 ] - [ 0.0000000000000000, -0.0001602700000000, -0.0002223300000000 ] - [ -0.0007572200000000, -0.0006135400000000, -0.0006503600000000 ] - [ -0.0001293100000000, 0.0000446200000000, 0.0003631500000000 ] - [ 0.0000000000000000, 0.0000289100000000, 0.0001787300000000 ] - [ 0.0001293100000000, 0.0000446200000000, 0.0003631500000000 ] - [ -0.0007521300000000, 0.0006090900000000, -0.0006449900000000 ] - [ 0.0000000000000000, 0.0001590000000000, -0.0002209000000000 ] - [ 0.0007521300000000, 0.0006090900000000, -0.0006449900000000 ] - [ 0.0001293300000000, -0.0000446900000000, 0.0003632000000000 ] - [ 0.0000000000000000, -0.0000288200000000, 0.0001787300000000 ] - [ -0.0001293300000000, -0.0000446900000000, 0.0003632000000000 ] - [ 0.0000000000000000, 0.0012680900000000, 0.0002809600000000 ] - [ 0.0004965100000000, 0.0005305900000000, 0.0000178400000000 ] - [ -0.0004965100000000, 0.0005305900000000, 0.0000178400000000 ] - [ 0.0000000000000000, -0.0000089200000000, 0.0002686000000000 ] - [ -0.0000159400000000, 0.0000096900000000, 0.0002073700000000 ] - [ 0.0000159400000000, 0.0000096900000000, 0.0002073700000000 ] - [ 0.0000000000000000, -0.0012598300000000, 0.0002772400000000 ] - [ -0.0004971600000000, -0.0005299000000000, 0.0000152700000000 ] - [ 0.0004971600000000, -0.0005299000000000, 0.0000152700000000 ] - [ 0.0000000000000000, 0.0000092400000000, 0.0002688000000000 ] - [ 0.0000161800000000, -0.0000096100000000, 0.0002071800000000 ] - [ -0.0000161800000000, -0.0000096100000000, 0.0002071800000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001403700000000, -0.0119323100000000, -0.0000007200000000 ] - [ 0.0000705700000000, -0.0118398800000000, -0.0001637700000000 ] - [ 0.0000698600000000, -0.0120251300000000, 0.0001637500000000 ] - [ -0.0000073900000000, -0.0119323700000000, 0.0000000200000000 ] - [ 0.0000029300000000, -0.0119046700000000, 0.0000512400000000 ] - [ 0.0000028900000000, -0.0119602800000000, -0.0000516200000000 ] - [ -0.0003228600000000, 0.0143652900000000, -0.0053296900000000 ] - [ -0.0003273200000000, 0.0094884300000000, 0.0053710600000000 ] - [ 0.0011566500000000, 0.0119301500000000, 0.0000031400000000 ] - [ 0.0000085400000000, 0.0118542600000000, 0.0000720600000000 ] - [ 0.0000089000000000, 0.0120118200000000, -0.0000715800000000 ] - [ 0.0000416200000000, 0.0119326000000000, 0.0000001800000000 ] - [ -0.0003228600000000, -0.0143652900000000, 0.0053296900000000 ] - [ -0.0003273200000000, -0.0094884300000000, -0.0053710600000000 ] - [ 0.0011566500000000, -0.0119301500000000, -0.0000031400000000 ] - [ 0.0000085400000000, -0.0118542600000000, -0.0000720600000000 ] - [ 0.0000089000000000, -0.0120118200000000, 0.0000715800000000 ] - [ 0.0000416200000000, -0.0119326000000000, -0.0000001800000000 ] - [ -0.0001403700000000, 0.0119323100000000, 0.0000007200000000 ] - [ 0.0000705700000000, 0.0118398800000000, 0.0001637700000000 ] - [ 0.0000698600000000, 0.0120251300000000, -0.0001637500000000 ] - [ -0.0000073900000000, 0.0119323700000000, -0.0000000200000000 ] - [ 0.0000029300000000, 0.0119046700000000, -0.0000512400000000 ] - [ 0.0000028900000000, 0.0119602800000000, 0.0000516200000000 ] - [ 0.0001573200000000, 0.0197571000000000, -0.0058223400000000 ] - [ -0.0000767100000000, 0.0196899400000000, -0.0057677300000000 ] - [ -0.0000765600000000, 0.0198240900000000, -0.0058772100000000 ] - [ 0.0000685800000000, 0.0197568000000000, -0.0058226700000000 ] - [ -0.0000321700000000, 0.0196917000000000, -0.0058637300000000 ] - [ -0.0000319800000000, 0.0198225000000000, -0.0057811300000000 ] - [ 0.0002937100000000, -0.0200200000000000, 0.0074574300000000 ] - [ 0.0002982900000000, -0.0194913800000000, 0.0041834200000000 ] - [ -0.0006756200000000, -0.0197569700000000, 0.0058218600000000 ] - [ 0.0003081300000000, -0.0196619600000000, 0.0059701900000000 ] - [ 0.0003081800000000, -0.0198522800000000, 0.0056741800000000 ] - [ -0.0004298100000000, -0.0197573500000000, 0.0058220500000000 ] - [ 0.0001510400000000, -0.0064350000000000, 0.0000321500000000 ] - [ 0.0001501900000000, -0.0066175200000000, -0.0000312800000000 ] - [ -0.0003131300000000, -0.0065261700000000, 0.0000008300000000 ] - [ 0.0000243200000000, -0.0065397500000000, -0.0000207200000000 ] - [ 0.0000241400000000, -0.0065123200000000, 0.0000221300000000 ] - [ -0.0000469300000000, -0.0065260600000000, 0.0000005900000000 ] - [ 0.0031019200000000, 0.0065012700000000, 0.0000496700000000 ] - [ -0.0007486000000000, 0.0060507800000000, 0.0012051600000000 ] - [ -0.0007565200000000, 0.0069995200000000, -0.0012073000000000 ] - [ 0.0003102800000000, 0.0065271100000000, -0.0000014300000000 ] - [ -0.0001313900000000, 0.0066065400000000, -0.0002313200000000 ] - [ -0.0001314600000000, 0.0064458700000000, 0.0002302800000000 ] - [ 0.0002550100000000, 0.0197558600000000, 0.0058233100000000 ] - [ -0.0001454400000000, 0.0194582900000000, 0.0059944800000000 ] - [ -0.0001445300000000, 0.0200555400000000, 0.0056502400000000 ] - [ 0.0000300900000000, 0.0197570100000000, 0.0058223900000000 ] - [ -0.0000167500000000, 0.0197416200000000, 0.0058038900000000 ] - [ -0.0000167000000000, 0.0197723800000000, 0.0058410100000000 ] - [ 0.0078150700000000, -0.0296661600000000, -0.0059582100000000 ] - [ 0.0081365000000000, -0.0094960100000000, -0.0056087700000000 ] - [ -0.0048298600000000, -0.0197586400000000, -0.0058243700000000 ] - [ 0.0000226400000000, -0.0197825600000000, -0.0058058000000000 ] - [ 0.0000219800000000, -0.0197316400000000, -0.0058390100000000 ] - [ -0.0000936200000000, -0.0197570500000000, -0.0058226900000000 ] - [ 0.0002937100000000, 0.0200200000000000, -0.0074574300000000 ] - [ 0.0002982900000000, 0.0194913800000000, -0.0041834200000000 ] - [ -0.0006756200000000, 0.0197569700000000, -0.0058218600000000 ] - [ 0.0003081300000000, 0.0196619600000000, -0.0059701900000000 ] - [ 0.0003081800000000, 0.0198522800000000, -0.0056741800000000 ] - [ -0.0004298100000000, 0.0197573500000000, -0.0058220500000000 ] - [ 0.0001573200000000, -0.0197571000000000, 0.0058223400000000 ] - [ -0.0000767100000000, -0.0196899400000000, 0.0057677300000000 ] - [ -0.0000765600000000, -0.0198240900000000, 0.0058772100000000 ] - [ 0.0000685800000000, -0.0197568000000000, 0.0058226700000000 ] - [ -0.0000321700000000, -0.0196917000000000, 0.0058637300000000 ] - [ -0.0000319800000000, -0.0198225000000000, 0.0057811300000000 ] - [ 0.0031019200000000, -0.0065012700000000, -0.0000496700000000 ] - [ -0.0007486000000000, -0.0060507800000000, -0.0012051600000000 ] - [ -0.0007565200000000, -0.0069995200000000, 0.0012073000000000 ] - [ 0.0003102800000000, -0.0065271100000000, 0.0000014300000000 ] - [ -0.0001313900000000, -0.0066065400000000, 0.0002313200000000 ] - [ -0.0001314600000000, -0.0064458700000000, -0.0002302800000000 ] - [ 0.0001510400000000, 0.0064350000000000, -0.0000321500000000 ] - [ 0.0001501900000000, 0.0066175200000000, 0.0000312800000000 ] - [ -0.0003131300000000, 0.0065261700000000, -0.0000008300000000 ] - [ 0.0000243200000000, 0.0065397500000000, 0.0000207200000000 ] - [ 0.0000241400000000, 0.0065123200000000, -0.0000221300000000 ] - [ -0.0000469300000000, 0.0065260600000000, -0.0000005900000000 ] - [ 0.0078150700000000, 0.0296661600000000, 0.0059582100000000 ] - [ 0.0081365000000000, 0.0094960100000000, 0.0056087700000000 ] - [ -0.0048298600000000, 0.0197586400000000, 0.0058243700000000 ] - [ 0.0000226400000000, 0.0197825600000000, 0.0058058000000000 ] - [ 0.0000219800000000, 0.0197316400000000, 0.0058390100000000 ] - [ -0.0000936200000000, 0.0197570500000000, 0.0058226900000000 ] - [ 0.0002550100000000, -0.0197558600000000, -0.0058233100000000 ] - [ -0.0001454400000000, -0.0194582900000000, -0.0059944800000000 ] - [ -0.0001445300000000, -0.0200555400000000, -0.0056502400000000 ] - [ 0.0000300900000000, -0.0197570100000000, -0.0058223900000000 ] - [ -0.0000167500000000, -0.0197416200000000, -0.0058038900000000 ] - [ -0.0000167000000000, -0.0197723800000000, -0.0058410100000000 ] - [ -0.0001946000000000, -0.0083486500000000, 0.0007540000000000 ] - [ -0.0001952100000000, -0.0074511100000000, -0.0007556000000000 ] - [ 0.0003235400000000, -0.0078998700000000, -0.0000003200000000 ] - [ -0.0000202700000000, -0.0079953800000000, -0.0001290400000000 ] - [ -0.0000200200000000, -0.0078046700000000, 0.0001295700000000 ] - [ 0.0000387700000000, -0.0079000700000000, 0.0000003000000000 ] - [ -0.0015217200000000, 0.0078995700000000, 0.0000005600000000 ] - [ 0.0007584900000000, 0.0084696000000000, 0.0004972700000000 ] - [ 0.0007564600000000, 0.0073345500000000, -0.0004962400000000 ] - [ 0.0000010300000000, 0.0079000700000000, -0.0000002200000000 ] - [ 0.0000034400000000, 0.0078914800000000, -0.0000162100000000 ] - [ 0.0000033800000000, 0.0079086500000000, 0.0000157900000000 ] - [ -0.0015217200000000, -0.0078995700000000, -0.0000005600000000 ] - [ 0.0007584900000000, -0.0084696000000000, -0.0004972700000000 ] - [ 0.0007564600000000, -0.0073345500000000, 0.0004962400000000 ] - [ 0.0000010300000000, -0.0079000700000000, 0.0000002200000000 ] - [ 0.0000034400000000, -0.0078914800000000, 0.0000162100000000 ] - [ 0.0000033800000000, -0.0079086500000000, -0.0000157900000000 ] - [ -0.0001946000000000, 0.0083486500000000, -0.0007540000000000 ] - [ -0.0001952100000000, 0.0074511100000000, 0.0007556000000000 ] - [ 0.0003235400000000, 0.0078998700000000, 0.0000003200000000 ] - [ -0.0000202700000000, 0.0079953800000000, 0.0001290400000000 ] - [ -0.0000200200000000, 0.0078046700000000, -0.0001295700000000 ] - [ 0.0000387700000000, 0.0079000700000000, -0.0000003000000000 ] - [ -0.0509450000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0120114000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0119079100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000578600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000005100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000003100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0012952300000000, 0.0000041500000000, 0.0000018000000000 ] - [ 0.0007400400000000, 0.0001803100000000, -0.0011262100000000 ] - [ 0.0007402000000000, -0.0001796100000000, 0.0011268100000000 ] - [ -0.0012952300000000, -0.0000041500000000, -0.0000018000000000 ] - [ 0.0007400400000000, -0.0001803100000000, 0.0011262100000000 ] - [ 0.0007402000000000, 0.0001796100000000, -0.0011268100000000 ] - [ -0.0003749000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003721600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008019500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000226600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000218700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000463100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001000200000000, 0.0000316300000000, 0.0000952500000000 ] - [ -0.0000995900000000, -0.0000317600000000, -0.0000955800000000 ] - [ 0.0001928500000000, 0.0000001300000000, 0.0000001100000000 ] - [ -0.0001000200000000, -0.0000316300000000, -0.0000952500000000 ] - [ -0.0000995900000000, 0.0000317600000000, 0.0000955800000000 ] - [ 0.0001928500000000, -0.0000001300000000, -0.0000001100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0117325600000000, -0.0002190700000000 ] - [ -0.0000313500000000, -0.0118153500000000, -0.0001104800000000 ] - [ 0.0000313500000000, -0.0118153500000000, -0.0001104800000000 ] - [ 0.0000000000000000, -0.0119076600000000, 0.0000581700000000 ] - [ 0.0000015600000000, -0.0119212300000000, 0.0000404600000000 ] - [ -0.0000015600000000, -0.0119212300000000, 0.0000404600000000 ] - [ 0.0014761700000000, 0.0081409900000000, 0.0034783500000000 ] - [ -0.0014761700000000, 0.0081409900000000, 0.0034783500000000 ] - [ 0.0000000000000000, 0.0116612600000000, 0.0003397100000000 ] - [ 0.0000016700000000, 0.0118410300000000, -0.0000505800000000 ] - [ -0.0000016700000000, 0.0118410300000000, -0.0000505800000000 ] - [ 0.0000000000000000, 0.0119675400000000, 0.0000403100000000 ] - [ -0.0014661700000000, -0.0157072100000000, 0.0034808700000000 ] - [ 0.0014661700000000, -0.0157072100000000, 0.0034808700000000 ] - [ 0.0000000000000000, -0.0122054600000000, 0.0003406200000000 ] - [ -0.0000013900000000, -0.0120247400000000, -0.0000509200000000 ] - [ 0.0000013900000000, -0.0120247400000000, -0.0000509200000000 ] - [ 0.0000000000000000, -0.0118967900000000, 0.0000405600000000 ] - [ 0.0000000000000000, 0.0121322200000000, -0.0002187200000000 ] - [ 0.0000315500000000, 0.0120493300000000, -0.0001102900000000 ] - [ -0.0000315500000000, 0.0120493300000000, -0.0001102900000000 ] - [ 0.0000000000000000, 0.0119571100000000, 0.0000584600000000 ] - [ -0.0000015500000000, 0.0119436100000000, 0.0000408700000000 ] - [ 0.0000015500000000, 0.0119436100000000, 0.0000408700000000 ] - [ 0.0000000000000000, 0.0195749900000000, -0.0057580000000000 ] - [ -0.0000358900000000, 0.0196683900000000, -0.0058130400000000 ] - [ 0.0000358900000000, 0.0196683900000000, -0.0058130400000000 ] - [ 0.0000000000000000, 0.0196652000000000, -0.0058810500000000 ] - [ 0.0000015600000000, 0.0197092200000000, -0.0058553100000000 ] - [ -0.0000015600000000, 0.0197092200000000, -0.0058553100000000 ] - [ -0.0004171200000000, -0.0188581100000000, 0.0051955500000000 ] - [ 0.0004171200000000, -0.0188581100000000, 0.0051955500000000 ] - [ 0.0000000000000000, -0.0194731500000000, 0.0058446500000000 ] - [ 0.0002057600000000, -0.0196448400000000, 0.0059679500000000 ] - [ -0.0002057600000000, -0.0196448400000000, 0.0059679500000000 ] - [ 0.0000000000000000, -0.0197357300000000, 0.0056215100000000 ] - [ -0.0000110100000000, -0.0068332000000000, 0.0000649500000000 ] - [ 0.0000110100000000, -0.0068332000000000, 0.0000649500000000 ] - [ 0.0000000000000000, -0.0067537700000000, 0.0000679900000000 ] - [ -0.0000012200000000, -0.0065573700000000, -0.0000391700000000 ] - [ 0.0000012200000000, -0.0065573700000000, -0.0000391700000000 ] - [ 0.0000000000000000, -0.0065419000000000, -0.0000301400000000 ] - [ 0.0000000000000000, 0.0124939800000000, -0.0060036000000000 ] - [ 0.0003788800000000, 0.0079360000000000, -0.0000995500000000 ] - [ -0.0003788800000000, 0.0079360000000000, -0.0000995500000000 ] - [ 0.0000000000000000, 0.0068140200000000, 0.0004408700000000 ] - [ -0.0000121300000000, 0.0065971300000000, -0.0000476900000000 ] - [ 0.0000121300000000, 0.0065971300000000, -0.0000476900000000 ] - [ 0.0000000000000000, 0.0191030200000000, 0.0059841300000000 ] - [ -0.0000665500000000, 0.0194267900000000, 0.0059309900000000 ] - [ 0.0000665500000000, 0.0194267900000000, 0.0059309900000000 ] - [ 0.0000000000000000, 0.0197502000000000, 0.0057883100000000 ] - [ -0.0000022200000000, 0.0197525400000000, 0.0057961500000000 ] - [ 0.0000022200000000, 0.0197525400000000, 0.0057961500000000 ] - [ -0.0078691500000000, -0.0061672000000000, -0.0047597900000000 ] - [ 0.0078691500000000, -0.0061672000000000, -0.0047597900000000 ] - [ 0.0000000000000000, -0.0183568500000000, -0.0055100800000000 ] - [ -0.0000024100000000, -0.0197475200000000, -0.0058201700000000 ] - [ 0.0000024100000000, -0.0197475200000000, -0.0058201700000000 ] - [ 0.0000000000000000, -0.0197520800000000, -0.0059190600000000 ] - [ 0.0004158400000000, 0.0206537800000000, -0.0064497100000000 ] - [ -0.0004158400000000, 0.0206537800000000, -0.0064497100000000 ] - [ 0.0000000000000000, 0.0200418400000000, -0.0057998800000000 ] - [ -0.0002059700000000, 0.0198697600000000, -0.0056768100000000 ] - [ 0.0002059700000000, 0.0198697600000000, -0.0056768100000000 ] - [ 0.0000000000000000, 0.0197780900000000, -0.0060251900000000 ] - [ 0.0000000000000000, -0.0199392200000000, 0.0058871000000000 ] - [ 0.0000362200000000, -0.0198456900000000, 0.0058321300000000 ] - [ -0.0000362200000000, -0.0198456900000000, 0.0058321300000000 ] - [ 0.0000000000000000, -0.0198486400000000, 0.0057640500000000 ] - [ -0.0000016300000000, -0.0198048200000000, 0.0057894800000000 ] - [ 0.0000016300000000, -0.0198048200000000, 0.0057894800000000 ] - [ 0.0000000000000000, -0.0005396800000000, -0.0059622500000000 ] - [ -0.0003837400000000, -0.0051116400000000, -0.0001038300000000 ] - [ 0.0003837400000000, -0.0051116400000000, -0.0001038300000000 ] - [ 0.0000000000000000, -0.0062385100000000, 0.0004420000000000 ] - [ 0.0000123600000000, -0.0064547600000000, -0.0000458300000000 ] - [ -0.0000123600000000, -0.0064547600000000, -0.0000458300000000 ] - [ 0.0000112500000000, 0.0062193900000000, 0.0000638700000000 ] - [ -0.0000112500000000, 0.0062193900000000, 0.0000638700000000 ] - [ 0.0000000000000000, 0.0062991300000000, 0.0000663800000000 ] - [ 0.0000012100000000, 0.0064948100000000, -0.0000403800000000 ] - [ -0.0000012100000000, 0.0064948100000000, -0.0000403800000000 ] - [ 0.0000000000000000, 0.0065102000000000, -0.0000312300000000 ] - [ 0.0075198700000000, 0.0330800700000000, 0.0068115100000000 ] - [ -0.0075198700000000, 0.0330800700000000, 0.0068115100000000 ] - [ 0.0000000000000000, 0.0211689700000000, 0.0061384500000000 ] - [ 0.0000025400000000, 0.0197664900000000, 0.0058246500000000 ] - [ -0.0000025400000000, 0.0197664900000000, 0.0058246500000000 ] - [ 0.0000000000000000, 0.0197618100000000, 0.0057257400000000 ] - [ 0.0000000000000000, -0.0204106700000000, -0.0056615800000000 ] - [ 0.0000657700000000, -0.0200864000000000, -0.0057143700000000 ] - [ -0.0000657700000000, -0.0200864000000000, -0.0057143700000000 ] - [ 0.0000000000000000, -0.0197637500000000, -0.0058566400000000 ] - [ 0.0000022300000000, -0.0197613800000000, -0.0058488400000000 ] - [ -0.0000022300000000, -0.0197613800000000, -0.0058488400000000 ] - [ -0.0002260300000000, -0.0074846100000000, -0.0006117600000000 ] - [ 0.0002260300000000, -0.0074846100000000, -0.0006117600000000 ] - [ 0.0000000000000000, -0.0079317200000000, -0.0001590300000000 ] - [ -0.0000072100000000, -0.0078827600000000, 0.0000447400000000 ] - [ 0.0000072100000000, -0.0078827600000000, 0.0000447400000000 ] - [ 0.0000000000000000, -0.0078980900000000, 0.0000291300000000 ] - [ 0.0000000000000000, 0.0092272100000000, 0.0012695600000000 ] - [ 0.0004134000000000, 0.0084664500000000, 0.0005291500000000 ] - [ -0.0004134000000000, 0.0084664500000000, 0.0005291500000000 ] - [ 0.0000000000000000, 0.0079075500000000, -0.0000093300000000 ] - [ 0.0000228400000000, 0.0078971300000000, 0.0000095900000000 ] - [ -0.0000228400000000, 0.0078971300000000, 0.0000095900000000 ] - [ 0.0000000000000000, -0.0065850700000000, 0.0012584600000000 ] - [ -0.0004127100000000, -0.0073346500000000, 0.0005315900000000 ] - [ 0.0004127100000000, -0.0073346500000000, 0.0005315900000000 ] - [ 0.0000000000000000, -0.0078927800000000, -0.0000089100000000 ] - [ -0.0000229500000000, -0.0079033900000000, 0.0000100200000000 ] - [ 0.0000229500000000, -0.0079033900000000, 0.0000100200000000 ] - [ 0.0002247600000000, 0.0083134500000000, -0.0006104900000000 ] - [ -0.0002247600000000, 0.0083134500000000, -0.0006104900000000 ] - [ 0.0000000000000000, 0.0078676300000000, -0.0001599500000000 ] - [ 0.0000072300000000, 0.0079172800000000, 0.0000443100000000 ] - [ -0.0000072300000000, 0.0079172800000000, 0.0000443100000000 ] - [ 0.0000000000000000, 0.0079019200000000, 0.0000286700000000 ] - [ 0.0000000000000000, -0.0494221500000000, 0.0005185200000000 ] - [ 0.0000010500000000, -0.0077099400000000, -0.0030889000000000 ] - [ -0.0000010500000000, -0.0077099400000000, -0.0030889000000000 ] - [ 0.0000000000000000, 0.0000459600000000, -0.0000971400000000 ] - [ -0.0000002400000000, 0.0000190700000000, 0.0001005700000000 ] - [ 0.0000002400000000, 0.0000190700000000, 0.0001005700000000 ] - [ 0.0000000000000000, -0.0010434700000000, -0.0015499900000000 ] - [ -0.0001800900000000, -0.0002130600000000, 0.0002569700000000 ] - [ 0.0001800900000000, -0.0002130600000000, 0.0002569700000000 ] - [ 0.0000000000000000, -0.0010501200000000, -0.0015505800000000 ] - [ 0.0001798300000000, -0.0002115900000000, 0.0002604800000000 ] - [ -0.0001798300000000, -0.0002115900000000, 0.0002604800000000 ] - [ -0.0000001400000000, 0.0005619400000000, 0.0000263500000000 ] - [ 0.0000001400000000, 0.0005619400000000, 0.0000263500000000 ] - [ 0.0000000000000000, 0.0003229500000000, -0.0000509600000000 ] - [ -0.0000003200000000, 0.0000060200000000, 0.0000602000000000 ] - [ 0.0000003200000000, 0.0000060200000000, 0.0000602000000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0000493700000000 ] - [ -0.0000316700000000, 0.0000970300000000, 0.0000306500000000 ] - [ 0.0000316700000000, 0.0000970300000000, 0.0000306500000000 ] - [ 0.0000000000000000, 0.0000400900000000, 0.0000247400000000 ] - [ 0.0000317000000000, 0.0000971700000000, 0.0000306300000000 ] - [ -0.0000317000000000, 0.0000971700000000, 0.0000306300000000 ] - [ 0.0000000000000000, 0.0000401300000000, 0.0000246200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0119396400000000, -0.0002874900000000 ] - [ -0.0000477200000000, -0.0119229300000000, -0.0002202900000000 ] - [ 0.0000477200000000, -0.0119229300000000, -0.0002202900000000 ] - [ 0.0000000000000000, -0.0119174700000000, 0.0002209000000000 ] - [ 0.0000013900000000, -0.0119453500000000, 0.0001889100000000 ] - [ -0.0000013900000000, -0.0119453500000000, 0.0001889100000000 ] - [ -0.0049343100000000, 0.0146819100000000, 0.0016908700000000 ] - [ 0.0049343100000000, 0.0146819100000000, 0.0016908700000000 ] - [ 0.0000000000000000, 0.0124893300000000, -0.0001492900000000 ] - [ 0.0000158400000000, 0.0120567100000000, 0.0007023500000000 ] - [ -0.0000158400000000, 0.0120567100000000, 0.0007023500000000 ] - [ 0.0000000000000000, 0.0117989100000000, 0.0002909100000000 ] - [ 0.0048730200000000, -0.0092225700000000, 0.0016661500000000 ] - [ -0.0048730200000000, -0.0092225700000000, 0.0016661500000000 ] - [ 0.0000000000000000, -0.0113786100000000, -0.0001486700000000 ] - [ -0.0000164600000000, -0.0118089300000000, 0.0007018400000000 ] - [ 0.0000164600000000, -0.0118089300000000, 0.0007018400000000 ] - [ 0.0000000000000000, -0.0120657900000000, 0.0002910800000000 ] - [ 0.0000000000000000, 0.0119247900000000, -0.0002875100000000 ] - [ 0.0000476500000000, 0.0119416200000000, -0.0002202400000000 ] - [ -0.0000476500000000, 0.0119416200000000, -0.0002202400000000 ] - [ 0.0000000000000000, 0.0119474900000000, 0.0002211300000000 ] - [ -0.0000014400000000, 0.0119195900000000, 0.0001889700000000 ] - [ 0.0000014400000000, 0.0119195900000000, 0.0001889700000000 ] - [ 0.0000000000000000, 0.0199804900000000, -0.0057918800000000 ] - [ 0.0000582900000000, 0.0198622300000000, -0.0057984600000000 ] - [ -0.0000582900000000, 0.0198622300000000, -0.0057984600000000 ] - [ 0.0000000000000000, 0.0196462500000000, -0.0059585300000000 ] - [ -0.0000336700000000, 0.0196785400000000, -0.0059368700000000 ] - [ 0.0000336700000000, 0.0196785400000000, -0.0059368700000000 ] - [ 0.0011978500000000, -0.0207668900000000, 0.0045360100000000 ] - [ -0.0011978500000000, -0.0207668900000000, 0.0045360100000000 ] - [ 0.0000000000000000, -0.0197730700000000, 0.0059670500000000 ] - [ -0.0006837300000000, -0.0197527500000000, 0.0047775800000000 ] - [ 0.0006837300000000, -0.0197527500000000, 0.0047775800000000 ] - [ 0.0000000000000000, -0.0196350300000000, 0.0055313800000000 ] - [ 0.0000258000000000, -0.0066449800000000, 0.0002337300000000 ] - [ -0.0000258000000000, -0.0066449800000000, 0.0002337300000000 ] - [ 0.0000000000000000, -0.0066274600000000, 0.0002367500000000 ] - [ -0.0000183200000000, -0.0065080600000000, -0.0002279900000000 ] - [ 0.0000183200000000, -0.0065080600000000, -0.0002279900000000 ] - [ 0.0000000000000000, -0.0065047300000000, -0.0002288700000000 ] - [ 0.0000000000000000, -0.0009831500000000, 0.0126109300000000 ] - [ 0.0007758600000000, 0.0068060300000000, 0.0008108300000000 ] - [ -0.0007758600000000, 0.0068060300000000, 0.0008108300000000 ] - [ 0.0000000000000000, 0.0063589400000000, -0.0020845100000000 ] - [ -0.0002032100000000, 0.0064813000000000, -0.0007321700000000 ] - [ 0.0002032100000000, 0.0064813000000000, -0.0007321700000000 ] - [ 0.0000000000000000, 0.0197699800000000, 0.0062214400000000 ] - [ 0.0000492500000000, 0.0197833500000000, 0.0061735100000000 ] - [ -0.0000492500000000, 0.0197833500000000, 0.0061735100000000 ] - [ 0.0000000000000000, 0.0196921300000000, 0.0055812100000000 ] - [ -0.0000118000000000, 0.0197182000000000, 0.0055956700000000 ] - [ 0.0000118000000000, 0.0197182000000000, 0.0055956700000000 ] - [ -0.0005641900000000, -0.0176816700000000, -0.0033005900000000 ] - [ 0.0005641900000000, -0.0176816700000000, -0.0033005900000000 ] - [ 0.0000000000000000, -0.0194029700000000, -0.0051415000000000 ] - [ 0.0000237500000000, -0.0197775500000000, -0.0065766500000000 ] - [ -0.0000237500000000, -0.0197775500000000, -0.0065766500000000 ] - [ 0.0000000000000000, -0.0197405400000000, -0.0063710200000000 ] - [ -0.0011960100000000, 0.0187541900000000, -0.0071121500000000 ] - [ 0.0011960100000000, 0.0187541900000000, -0.0071121500000000 ] - [ 0.0000000000000000, 0.0197406600000000, -0.0056785700000000 ] - [ 0.0006831800000000, 0.0197625400000000, -0.0068679300000000 ] - [ -0.0006831800000000, 0.0197625400000000, -0.0068679300000000 ] - [ 0.0000000000000000, 0.0198793100000000, -0.0061138200000000 ] - [ 0.0000000000000000, -0.0195325100000000, 0.0058527900000000 ] - [ -0.0000584900000000, -0.0196513600000000, 0.0058462900000000 ] - [ 0.0000584900000000, -0.0196513600000000, 0.0058462900000000 ] - [ 0.0000000000000000, -0.0198679800000000, 0.0056864900000000 ] - [ 0.0000336200000000, -0.0198355100000000, 0.0057083700000000 ] - [ -0.0000336200000000, -0.0198355100000000, 0.0057083700000000 ] - [ 0.0000000000000000, -0.0143534500000000, 0.0133720700000000 ] - [ -0.0007792600000000, -0.0062497700000000, 0.0008177800000000 ] - [ 0.0007792600000000, -0.0062497700000000, 0.0008177800000000 ] - [ 0.0000000000000000, -0.0066907200000000, -0.0020829700000000 ] - [ 0.0002037000000000, -0.0065712000000000, -0.0007313400000000 ] - [ -0.0002037000000000, -0.0065712000000000, -0.0007313400000000 ] - [ -0.0000259200000000, 0.0064068200000000, 0.0002322300000000 ] - [ 0.0000259200000000, 0.0064068200000000, 0.0002322300000000 ] - [ 0.0000000000000000, 0.0064251300000000, 0.0002353900000000 ] - [ 0.0000183200000000, 0.0065441100000000, -0.0002293600000000 ] - [ -0.0000183200000000, 0.0065441100000000, -0.0002293600000000 ] - [ 0.0000000000000000, 0.0065472900000000, -0.0002303400000000 ] - [ 0.0006382300000000, 0.0219114400000000, 0.0083642000000000 ] - [ -0.0006382300000000, 0.0219114400000000, 0.0083642000000000 ] - [ 0.0000000000000000, 0.0201084400000000, 0.0065009400000000 ] - [ -0.0000232700000000, 0.0197363200000000, 0.0050685400000000 ] - [ 0.0000232700000000, 0.0197363200000000, 0.0050685400000000 ] - [ 0.0000000000000000, 0.0197734300000000, 0.0052740400000000 ] - [ 0.0000000000000000, -0.0197431400000000, -0.0054228400000000 ] - [ -0.0000498700000000, -0.0197298000000000, -0.0054710700000000 ] - [ 0.0000498700000000, -0.0197298000000000, -0.0054710700000000 ] - [ 0.0000000000000000, -0.0198219500000000, -0.0060636900000000 ] - [ 0.0000117900000000, -0.0197959000000000, -0.0060492000000000 ] - [ -0.0000117900000000, -0.0197959000000000, -0.0060492000000000 ] - [ 0.0006129800000000, -0.0086443900000000, -0.0006481000000000 ] - [ -0.0006129800000000, -0.0086443900000000, -0.0006481000000000 ] - [ 0.0000000000000000, -0.0080947600000000, -0.0002217800000000 ] - [ -0.0000199500000000, -0.0076858800000000, 0.0003629900000000 ] - [ 0.0000199500000000, -0.0076858800000000, 0.0003629900000000 ] - [ 0.0000000000000000, -0.0078116300000000, 0.0001786200000000 ] - [ 0.0000000000000000, 0.0091447500000000, 0.0002788100000000 ] - [ 0.0003523600000000, 0.0083933500000000, 0.0000152400000000 ] - [ -0.0003523600000000, 0.0083933500000000, 0.0000152400000000 ] - [ 0.0000000000000000, 0.0076853400000000, 0.0002679800000000 ] - [ -0.0000558200000000, 0.0077333500000000, 0.0002064200000000 ] - [ 0.0000558200000000, 0.0077333500000000, 0.0002064200000000 ] - [ 0.0000000000000000, -0.0066606000000000, 0.0002773600000000 ] - [ -0.0003518800000000, -0.0074073900000000, 0.0000166400000000 ] - [ 0.0003518800000000, -0.0074073900000000, 0.0000166400000000 ] - [ 0.0000000000000000, -0.0081144100000000, 0.0002683200000000 ] - [ 0.0000559700000000, -0.0080664500000000, 0.0002069200000000 ] - [ -0.0000559700000000, -0.0080664500000000, 0.0002069200000000 ] - [ -0.0006161900000000, 0.0071511600000000, -0.0006482500000000 ] - [ 0.0006161900000000, 0.0071511600000000, -0.0006482500000000 ] - [ 0.0000000000000000, 0.0077053100000000, -0.0002224100000000 ] - [ 0.0000198600000000, 0.0081144700000000, 0.0003624100000000 ] - [ -0.0000198600000000, 0.0081144700000000, 0.0003624100000000 ] - [ 0.0000000000000000, 0.0079885700000000, 0.0001780600000000 ] - [ 0.0000000000000000, 0.0005250700000000, -0.0464994200000000 ] - [ -0.0000032400000000, -0.0030888100000000, -0.0021447300000000 ] - [ 0.0000032400000000, -0.0030888100000000, -0.0021447300000000 ] - [ 0.0000000000000000, -0.0000971300000000, 0.0019832800000000 ] - [ 0.0000001700000000, 0.0001005800000000, 0.0011916100000000 ] - [ -0.0000001700000000, 0.0001005800000000, 0.0011916100000000 ] - [ 0.0000000000000000, 0.0015536500000000, 0.0071567600000000 ] - [ -0.0011275500000000, -0.0002585300000000, 0.0003568800000000 ] - [ 0.0011275500000000, -0.0002585300000000, 0.0003568800000000 ] - [ 0.0000000000000000, 0.0015470300000000, 0.0071866800000000 ] - [ 0.0011253300000000, -0.0002588200000000, 0.0003563900000000 ] - [ -0.0011253300000000, -0.0002588200000000, 0.0003563900000000 ] - [ 0.0000000000000000, 0.0000263900000000, -0.0004139000000000 ] - [ 0.0000000000000000, 0.0000263900000000, -0.0004139000000000 ] - [ 0.0000000000000000, -0.0000509200000000, -0.0003741100000000 ] - [ -0.0000003200000000, 0.0000602400000000, 0.0004234100000000 ] - [ 0.0000003200000000, 0.0000602400000000, 0.0004234100000000 ] - [ 0.0000000000000000, 0.0000493600000000, 0.0004112500000000 ] - [ 0.0000953700000000, -0.0000303800000000, 0.0000305800000000 ] - [ -0.0000953700000000, -0.0000303800000000, 0.0000305800000000 ] - [ 0.0000000000000000, -0.0000245900000000, 0.0000042700000000 ] - [ -0.0000954100000000, -0.0000308600000000, 0.0000304500000000 ] - [ 0.0000954100000000, -0.0000308600000000, 0.0000304500000000 ] - [ 0.0000000000000000, -0.0000247700000000, 0.0000043800000000 ]