# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7c105e1c-1135-476f-b53c-6ec80cf842b7/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 KSbS2 / C2/c (15) / materials id 11703](https://mdr.nims.go.jp/datasets/2bc4ec70-e7d9-4925-82f6-c4b8e738139f) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.380910225000000, -4.544558505000000, 0.011186675000000 ] # a - [ 4.380910225000000, 4.544558505000000, 0.011186675000000 ] # b - [ -3.601652670000000, 0.000000000000000, 5.836807680000000 ] # c points: - symbol: S # 1 coordinates: [ 0.219647930000000, 0.371313750000000, 0.280686550000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.628686250000000, 0.780352070000000, 0.219313450000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.371313750000000, 0.219647930000000, 0.780686550000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.780352070000000, 0.628686250000000, 0.719313450000000 ] mass: 32.065000 - symbol: K # 5 coordinates: [ 0.857314280000000, 0.142685720000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.142685720000000, 0.857314280000000, 0.250000000000000 ] mass: 39.098300 - symbol: Sb # 7 coordinates: [ 0.592698700000000, 0.407301300000000, 0.250000000000000 ] mass: 121.760000 - symbol: Sb # 8 coordinates: [ 0.407301300000000, 0.592698700000000, 0.750000000000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.113951983188641, -0.110021688454421, 0.070315056963323 ] # a* - [ 0.113951983188641, 0.110021688454421, 0.070315056963323 ] # b* - [ -0.000436794861652, 0.000000000000000, 0.171057000908464 ] # c*unit_cell: lattice: - [ 8.761820450000000, 0.000000000000000, 0.022373350000000 ] # a - [ 0.000000000000000, 9.089117010000001, 0.000000000000000 ] # b - [ -3.601652670000000, 0.000000000000000, 5.836807680000000 ] # c points: - symbol: S # 1 coordinates: [ 0.295480840000000, 0.075832910000000, 0.280686550000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.704519160000000, 0.075832910000000, 0.219313450000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.295480840000000, 0.924167090000000, 0.780686550000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.704519160000000, 0.924167090000000, 0.719313450000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.795480840000000, 0.575832910000000, 0.280686550000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.204519160000000, 0.575832910000000, 0.219313450000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 7 coordinates: [ 0.795480840000000, 0.424167090000000, 0.780686550000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 8 coordinates: [ 0.204519160000000, 0.424167090000000, 0.719313450000000 ] mass: 32.065000 reduced_to: 4 - symbol: K # 9 coordinates: [ 0.500000000000000, 0.642685720000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.500000000000000, 0.357314280000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.000000000000000, 0.142685720000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 12 coordinates: [ 0.000000000000000, 0.857314280000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 10 - symbol: Sb # 13 coordinates: [ 0.500000000000000, 0.907301300000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 14 coordinates: [ 0.500000000000000, 0.092698700000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 14 - symbol: Sb # 15 coordinates: [ 0.000000000000000, 0.407301300000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 13 - symbol: Sb # 16 coordinates: [ 0.000000000000000, 0.592698700000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 14supercell: lattice: - [ 17.523640900000000, 0.000000000000000, 0.044746700000000 ] # a - [ 0.000000000000000, 18.178234020000001, 0.000000000000000 ] # b - [ -7.203305340000000, 0.000000000000000, 11.673615359999999 ] # c points: - symbol: S # 1 coordinates: [ 0.147740420000000, 0.037916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.647740420000000, 0.037916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.147740420000000, 0.537916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.647740420000000, 0.537916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.147740420000000, 0.037916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.647740420000000, 0.037916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.147740420000000, 0.537916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 8 coordinates: [ 0.647740420000000, 0.537916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 9 coordinates: [ 0.352259580000000, 0.037916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.852259580000000, 0.037916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.352259580000000, 0.537916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.852259580000000, 0.537916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.352259580000000, 0.037916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 14 coordinates: [ 0.852259580000000, 0.037916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 15 coordinates: [ 0.352259580000000, 0.537916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 16 coordinates: [ 0.852259580000000, 0.537916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 17 coordinates: [ 0.147740420000000, 0.462083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.647740420000000, 0.462083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.147740420000000, 0.962083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.647740420000000, 0.962083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.147740420000000, 0.462083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 22 coordinates: [ 0.647740420000000, 0.462083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 23 coordinates: [ 0.147740420000000, 0.962083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 24 coordinates: [ 0.647740420000000, 0.962083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 25 coordinates: [ 0.352259580000000, 0.462083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.852259580000000, 0.462083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.352259580000000, 0.962083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.852259580000000, 0.962083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.352259580000000, 0.462083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 30 coordinates: [ 0.852259580000000, 0.462083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 31 coordinates: [ 0.352259580000000, 0.962083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 32 coordinates: [ 0.852259580000000, 0.962083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 33 coordinates: [ 0.397740420000000, 0.287916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 34 coordinates: [ 0.897740420000000, 0.287916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 35 coordinates: [ 0.397740420000000, 0.787916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 36 coordinates: [ 0.897740420000000, 0.787916455000000, 0.140343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 37 coordinates: [ 0.397740420000000, 0.287916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 38 coordinates: [ 0.897740420000000, 0.287916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 39 coordinates: [ 0.397740420000000, 0.787916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 40 coordinates: [ 0.897740420000000, 0.787916455000000, 0.640343275000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 41 coordinates: [ 0.102259580000000, 0.287916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 42 coordinates: [ 0.602259580000000, 0.287916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 43 coordinates: [ 0.102259580000000, 0.787916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 44 coordinates: [ 0.602259580000000, 0.787916455000000, 0.109656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 45 coordinates: [ 0.102259580000000, 0.287916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 46 coordinates: [ 0.602259580000000, 0.287916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 47 coordinates: [ 0.102259580000000, 0.787916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 48 coordinates: [ 0.602259580000000, 0.787916455000000, 0.609656725000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 49 coordinates: [ 0.397740420000000, 0.212083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 50 coordinates: [ 0.897740420000000, 0.212083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 51 coordinates: [ 0.397740420000000, 0.712083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 52 coordinates: [ 0.897740420000000, 0.712083545000000, 0.390343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 53 coordinates: [ 0.397740420000000, 0.212083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 54 coordinates: [ 0.897740420000000, 0.212083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 55 coordinates: [ 0.397740420000000, 0.712083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 56 coordinates: [ 0.897740420000000, 0.712083545000000, 0.890343275000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 57 coordinates: [ 0.102259580000000, 0.212083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 58 coordinates: [ 0.602259580000000, 0.212083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 59 coordinates: [ 0.102259580000000, 0.712083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 60 coordinates: [ 0.602259580000000, 0.712083545000000, 0.359656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 61 coordinates: [ 0.102259580000000, 0.212083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 62 coordinates: [ 0.602259580000000, 0.212083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 63 coordinates: [ 0.102259580000000, 0.712083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 64 coordinates: [ 0.602259580000000, 0.712083545000000, 0.859656725000000 ] mass: 32.065000 reduced_to: 25 - symbol: K # 65 coordinates: [ 0.250000000000000, 0.321342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 66 coordinates: [ 0.750000000000000, 0.321342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 67 coordinates: [ 0.250000000000000, 0.821342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 68 coordinates: [ 0.750000000000000, 0.821342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 69 coordinates: [ 0.250000000000000, 0.321342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 70 coordinates: [ 0.750000000000000, 0.321342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 71 coordinates: [ 0.250000000000000, 0.821342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 72 coordinates: [ 0.750000000000000, 0.821342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 73 coordinates: [ 0.250000000000000, 0.178657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 74 coordinates: [ 0.750000000000000, 0.178657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 75 coordinates: [ 0.250000000000000, 0.678657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 76 coordinates: [ 0.750000000000000, 0.678657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 77 coordinates: [ 0.250000000000000, 0.178657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 78 coordinates: [ 0.750000000000000, 0.178657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 79 coordinates: [ 0.250000000000000, 0.678657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 80 coordinates: [ 0.750000000000000, 0.678657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 81 coordinates: [ 0.000000000000000, 0.071342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 82 coordinates: [ 0.500000000000000, 0.071342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 83 coordinates: [ 0.000000000000000, 0.571342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 84 coordinates: [ 0.500000000000000, 0.571342860000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 85 coordinates: [ 0.000000000000000, 0.071342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 86 coordinates: [ 0.500000000000000, 0.071342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 87 coordinates: [ 0.000000000000000, 0.571342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 88 coordinates: [ 0.500000000000000, 0.571342860000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 89 coordinates: [ 0.000000000000000, 0.428657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 90 coordinates: [ 0.500000000000000, 0.428657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 91 coordinates: [ 0.000000000000000, 0.928657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 92 coordinates: [ 0.500000000000000, 0.928657140000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 93 coordinates: [ 0.000000000000000, 0.428657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 94 coordinates: [ 0.500000000000000, 0.428657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 95 coordinates: [ 0.000000000000000, 0.928657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 96 coordinates: [ 0.500000000000000, 0.928657140000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 73 - symbol: Sb # 97 coordinates: [ 0.250000000000000, 0.453650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 98 coordinates: [ 0.750000000000000, 0.453650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 99 coordinates: [ 0.250000000000000, 0.953650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 100 coordinates: [ 0.750000000000000, 0.953650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 101 coordinates: [ 0.250000000000000, 0.453650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 102 coordinates: [ 0.750000000000000, 0.453650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 103 coordinates: [ 0.250000000000000, 0.953650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 104 coordinates: [ 0.750000000000000, 0.953650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 105 coordinates: [ 0.250000000000000, 0.046349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 106 coordinates: [ 0.750000000000000, 0.046349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 107 coordinates: [ 0.250000000000000, 0.546349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 108 coordinates: [ 0.750000000000000, 0.546349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 109 coordinates: [ 0.250000000000000, 0.046349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 110 coordinates: [ 0.750000000000000, 0.046349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 111 coordinates: [ 0.250000000000000, 0.546349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 112 coordinates: [ 0.750000000000000, 0.546349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 113 coordinates: [ 0.000000000000000, 0.203650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 114 coordinates: [ 0.500000000000000, 0.203650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 115 coordinates: [ 0.000000000000000, 0.703650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 116 coordinates: [ 0.500000000000000, 0.703650650000000, 0.125000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 117 coordinates: [ 0.000000000000000, 0.203650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 118 coordinates: [ 0.500000000000000, 0.203650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 119 coordinates: [ 0.000000000000000, 0.703650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 120 coordinates: [ 0.500000000000000, 0.703650650000000, 0.625000000000000 ] mass: 121.760000 reduced_to: 97 - symbol: Sb # 121 coordinates: [ 0.000000000000000, 0.296349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 122 coordinates: [ 0.500000000000000, 0.296349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 123 coordinates: [ 0.000000000000000, 0.796349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 124 coordinates: [ 0.500000000000000, 0.796349350000000, 0.375000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 125 coordinates: [ 0.000000000000000, 0.296349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 126 coordinates: [ 0.500000000000000, 0.296349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 127 coordinates: [ 0.000000000000000, 0.796349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105 - symbol: Sb # 128 coordinates: [ 0.500000000000000, 0.796349350000000, 0.875000000000000 ] mass: 121.760000 reduced_to: 105born_effective_charge:- # 1 (S) - [ -1.942121690000000, 1.075701590000000, 0.667655680000000 ] - [ 0.473659150000000, -1.202270810000000, 0.001641080000000 ] - [ 0.757973080000000, -0.781264560000000, -2.962719960000000 ]- # 2 (S) - [ -1.942121690000000, -1.075701590000000, 0.667655680000000 ] - [ -0.473659150000000, -1.202270810000000, -0.001641080000000 ] - [ 0.757973080000000, 0.781264560000000, -2.962719960000000 ]- # 3 (S) - [ -1.942121690000000, -1.075701590000000, 0.667655680000000 ] - [ -0.473659150000000, -1.202270810000000, -0.001641080000000 ] - [ 0.757973080000000, 0.781264560000000, -2.962719960000000 ]- # 4 (S) - [ -1.942121690000000, 1.075701590000000, 0.667655680000000 ] - [ 0.473659150000000, -1.202270810000000, 0.001641080000000 ] - [ 0.757973080000000, -0.781264560000000, -2.962719960000000 ]- # 5 (K) - [ 1.188555750000000, 0.000000000000000, 0.184275030000000 ] - [ -0.000000000000000, 1.263861230000000, 0.000000000000000 ] - [ 0.210953050000000, -0.000000000000000, 1.305669040000000 ]- # 6 (K) - [ 1.188555750000000, 0.000000000000000, 0.184275030000000 ] - [ -0.000000000000000, 1.263861230000000, 0.000000000000000 ] - [ 0.210953050000000, -0.000000000000000, 1.305669040000000 ]- # 7 (Sb) - [ 2.695687640000000, -0.000000000000000, -1.519586390000000 ] - [ 0.000000000000000, 1.140680390000000, -0.000000000000000 ] - [ -1.726899210000000, 0.000000000000000, 4.619770890000000 ]- # 8 (Sb) - [ 2.695687640000000, -0.000000000000000, -1.519586390000001 ] - [ 0.000000000000000, 1.140680390000000, -0.000000000000000 ] - [ -1.726899210000000, 0.000000000000000, 4.619770890000000 ]dielectric_constant: - [ 5.598540560000000, 0.000000000000000, -1.404149950000000 ] - [ 0.000000000000000, 4.483293430000000, 0.000000000000000 ] - [ -1.404148850000000, 0.000000000000000, 7.216956790000000 ]displacements:- atom: 1 displacement: [ 0.0099999673982273, 0.0000000000000000, 0.0000255349640940 ] forces: - [ -0.0695970400000000, 0.0319405100000000, -0.0050995900000000 ] - [ 0.0025986600000000, 0.0000635800000000, -0.0018607900000000 ] - [ 0.0020814900000000, 0.0001408800000000, -0.0019210800000000 ] - [ 0.0023897400000000, -0.0000123800000000, -0.0019037200000000 ] - [ 0.0025286300000000, -0.0004018100000000, -0.0034447200000000 ] - [ 0.0023736400000000, 0.0001652000000000, -0.0014179000000000 ] - [ 0.0021504700000000, 0.0001308100000000, -0.0019347300000000 ] - [ 0.0022087200000000, 0.0001042400000000, -0.0018408000000000 ] - [ 0.0064491900000000, 0.0024353600000000, -0.0012416900000000 ] - [ -0.0013664300000000, 0.0003986400000000, 0.0021324600000000 ] - [ -0.0022820900000000, 0.0000281700000000, 0.0018576100000000 ] - [ -0.0021537800000000, 0.0001359700000000, 0.0019287100000000 ] - [ -0.0014441700000000, 0.0012673900000000, 0.0002016000000000 ] - [ -0.0021337300000000, 0.0002362100000000, 0.0021303200000000 ] - [ -0.0022137700000000, 0.0001027300000000, 0.0018527900000000 ] - [ -0.0021446000000000, 0.0001321400000000, 0.0019241300000000 ] - [ 0.0020917000000000, -0.0002601000000000, -0.0019638900000000 ] - [ 0.0022132000000000, -0.0001846900000000, -0.0018294400000000 ] - [ 0.0019835600000000, -0.0008126100000000, -0.0070263300000000 ] - [ 0.0024293600000000, -0.0001677700000000, -0.0013567200000000 ] - [ 0.0020912300000000, -0.0002358100000000, -0.0019187400000000 ] - [ 0.0022135500000000, -0.0001859000000000, -0.0018388400000000 ] - [ 0.0019851000000000, 0.0001695500000000, -0.0046676700000000 ] - [ 0.0024290200000000, 0.0000416600000000, -0.0018108900000000 ] - [ -0.0022182700000000, -0.0001750300000000, 0.0018670900000000 ] - [ -0.0021118600000000, -0.0002209400000000, 0.0019056500000000 ] - [ -0.0015025400000000, -0.0007760600000000, 0.0079019200000000 ] - [ -0.0020761900000000, -0.0001774400000000, 0.0018044100000000 ] - [ -0.0021978700000000, -0.0001703400000000, 0.0018299200000000 ] - [ -0.0020969100000000, -0.0002667900000000, 0.0019729100000000 ] - [ -0.0009652900000000, -0.0013453300000000, -0.0008725800000000 ] - [ -0.0016115500000000, -0.0001448500000000, 0.0029114200000000 ] - [ 0.0023748700000000, 0.0005126400000000, -0.0017245200000000 ] - [ 0.0033244500000000, -0.0012599900000000, -0.0022829100000000 ] - [ 0.0033323400000000, -0.0008106200000000, -0.0018238900000000 ] - [ 0.0023762800000000, 0.0007921500000000, -0.0020677200000000 ] - [ 0.0021430000000000, 0.0001231200000000, -0.0019556100000000 ] - [ 0.0021048600000000, 0.0002320700000000, -0.0016827200000000 ] - [ 0.0021037300000000, 0.0001091400000000, -0.0018768900000000 ] - [ 0.0021431600000000, 0.0001741700000000, -0.0018322900000000 ] - [ -0.0026361600000000, -0.0006309300000000, 0.0021425400000000 ] - [ -0.0018834100000000, 0.0004647500000000, 0.0018364200000000 ] - [ -0.0026385700000000, 0.0004763100000000, 0.0020469000000000 ] - [ -0.0018825500000000, 0.0003788900000000, 0.0018252200000000 ] - [ -0.0021578900000000, 0.0002188500000000, 0.0016437500000000 ] - [ -0.0021362800000000, 0.0001177200000000, 0.0020728800000000 ] - [ -0.0021575600000000, 0.0001565800000000, 0.0016945600000000 ] - [ -0.0021359400000000, 0.0000514000000000, 0.0021462900000000 ] - [ 0.0020521300000000, -0.0000430800000000, -0.0015536100000000 ] - [ 0.0022943700000000, -0.0001228200000000, -0.0019913100000000 ] - [ 0.0021371100000000, -0.0003209700000000, -0.0017301900000000 ] - [ 0.0021971000000000, -0.0001388100000000, -0.0019503200000000 ] - [ 0.0022945700000000, -0.0000427100000000, -0.0020439200000000 ] - [ 0.0020548200000000, -0.0005614000000000, -0.0015505500000000 ] - [ 0.0021975800000000, -0.0001038100000000, -0.0020293900000000 ] - [ 0.0021378900000000, -0.0001606000000000, -0.0018787800000000 ] - [ -0.0023188100000000, -0.0001898300000000, 0.0016365500000000 ] - [ -0.0020975300000000, -0.0000150100000000, 0.0020438100000000 ] - [ -0.0022469100000000, -0.0001094900000000, 0.0018219300000000 ] - [ -0.0020647000000000, -0.0002465300000000, 0.0020778000000000 ] - [ -0.0025644800000000, -0.0000632000000000, 0.0018587400000000 ] - [ -0.0020449700000000, -0.0002385900000000, 0.0019838400000000 ] - [ -0.0023306600000000, -0.0001607000000000, 0.0018118700000000 ] - [ -0.0020399000000000, -0.0002329200000000, 0.0019604500000000 ] - [ 0.0001534500000000, 0.0001771000000000, 0.0001241000000000 ] - [ -0.0001062400000000, 0.0001182700000000, -0.0000723200000000 ] - [ 0.0005261800000000, 0.0001574600000000, 0.0000169800000000 ] - [ -0.0000885700000000, 0.0000192500000000, -0.0000647200000000 ] - [ 0.0000914300000000, 0.0000560700000000, 0.0001118400000000 ] - [ -0.0001340700000000, 0.0001701900000000, -0.0001570800000000 ] - [ -0.0002447200000000, 0.0004166300000000, 0.0004712900000000 ] - [ -0.0001225800000000, -0.0000739700000000, -0.0001163700000000 ] - [ 0.0044697600000000, 0.0037253300000000, -0.0002896500000000 ] - [ -0.0002204100000000, -0.0000806000000000, -0.0000411400000000 ] - [ 0.0001492500000000, 0.0001959000000000, 0.0000471000000000 ] - [ -0.0001261400000000, -0.0000665400000000, -0.0000425000000000 ] - [ -0.0000285600000000, -0.0001387100000000, 0.0001731900000000 ] - [ -0.0000938800000000, -0.0000766000000000, -0.0001526700000000 ] - [ 0.0000512900000000, -0.0000572700000000, 0.0000563000000000 ] - [ -0.0000552400000000, -0.0000594200000000, -0.0000637900000000 ] - [ -0.0002696500000000, 0.0000610400000000, 0.0003868100000000 ] - [ -0.0003259600000000, -0.0001829400000000, -0.0006761600000000 ] - [ -0.0000022900000000, 0.0001057400000000, 0.0000129700000000 ] - [ 0.0000163800000000, 0.0001981900000000, -0.0000281600000000 ] - [ 0.0005035500000000, -0.0000975200000000, 0.0002184400000000 ] - [ -0.0001207900000000, 0.0001340400000000, 0.0001337800000000 ] - [ 0.0000099500000000, 0.0001093100000000, -0.0000112000000000 ] - [ -0.0000275500000000, 0.0001864200000000, 0.0000289800000000 ] - [ 0.0000248900000000, 0.0001281300000000, 0.0000018100000000 ] - [ -0.0000067800000000, -0.0001347800000000, 0.0000009800000000 ] - [ 0.0044492000000000, 0.0033471600000000, 0.0002988600000000 ] - [ -0.0006757200000000, 0.0002818700000000, -0.0000605800000000 ] - [ 0.0000008900000000, 0.0000012300000000, -0.0000000400000000 ] - [ -0.0000004800000000, -0.0000995400000000, -0.0000068000000000 ] - [ 0.0001427900000000, -0.0000568900000000, 0.0002258100000000 ] - [ -0.0000118000000000, -0.0001973500000000, -0.0003976400000000 ] - [ 0.0001564600000000, 0.0077770100000000, 0.0000241500000000 ] - [ -0.0001529900000000, 0.0077613600000000, -0.0000169300000000 ] - [ 0.0476520900000000, -0.0328438600000000, -0.0016243700000000 ] - [ -0.0006202200000000, 0.0074107200000000, 0.0002377900000000 ] - [ 0.0000417900000000, 0.0077427800000000, 0.0001007800000000 ] - [ -0.0000458400000000, 0.0077365700000000, -0.0001096100000000 ] - [ -0.0013407000000000, 0.0080387500000000, 0.0031961000000000 ] - [ -0.0000081700000000, 0.0077366300000000, -0.0009960800000000 ] - [ 0.0060202600000000, -0.0091006500000000, 0.0065297000000000 ] - [ -0.0001518200000000, -0.0077226400000000, -0.0001043700000000 ] - [ 0.0000839300000000, -0.0076507200000000, 0.0000309300000000 ] - [ -0.0000985700000000, -0.0076277100000000, -0.0000155200000000 ] - [ -0.0009782000000000, -0.0071781200000000, 0.0046748500000000 ] - [ -0.0005001500000000, -0.0075479700000000, -0.0005314200000000 ] - [ 0.0000699600000000, -0.0076536300000000, 0.0000546000000000 ] - [ -0.0000565100000000, -0.0076394600000000, -0.0000572400000000 ] - [ -0.0012112300000000, 0.0102073200000000, -0.0000707600000000 ] - [ -0.0003918600000000, 0.0072329900000000, -0.0000020800000000 ] - [ 0.0001154500000000, 0.0075250100000000, -0.0000617000000000 ] - [ -0.0006307300000000, 0.0076655500000000, 0.0002629900000000 ] - [ 0.0000292100000000, 0.0075389200000000, 0.0000934100000000 ] - [ 0.0000462700000000, 0.0077936900000000, -0.0002702300000000 ] - [ 0.0000085200000000, 0.0077061200000000, 0.0000835900000000 ] - [ 0.0000327700000000, 0.0078338500000000, -0.0001396300000000 ] - [ -0.0002596200000000, -0.0074919100000000, 0.0007696800000000 ] - [ 0.0000041600000000, -0.0078224700000000, -0.0003077300000000 ] - [ -0.0000082000000000, -0.0077886900000000, 0.0004156200000000 ] - [ -0.0001425000000000, -0.0075000900000000, -0.0007276100000000 ] - [ 0.0004095500000000, -0.0074564100000000, -0.0006495600000000 ] - [ -0.0001680900000000, -0.0077130900000000, 0.0002278000000000 ] - [ 0.0002427800000000, -0.0077750500000000, -0.0002193700000000 ] - [ -0.0001085500000000, -0.0077730200000000, 0.0001740800000000 ]- atom: 1 displacement: [ -0.0099999673982273, 0.0000000000000000, -0.0000255349640940 ] forces: - [ 0.0723910400000000, -0.0298356300000000, 0.0015058500000000 ] - [ 0.0017327300000000, 0.0002592300000000, -0.0019234600000000 ] - [ 0.0022518000000000, 0.0001810900000000, -0.0018625000000000 ] - [ 0.0019414000000000, 0.0003360300000000, -0.0018798100000000 ] - [ 0.0018150800000000, 0.0007182900000000, -0.0003464100000000 ] - [ 0.0019580200000000, 0.0001573300000000, -0.0023679600000000 ] - [ 0.0021828100000000, 0.0001913200000000, -0.0018491700000000 ] - [ 0.0021240000000000, 0.0002179000000000, -0.0019437400000000 ] - [ -0.0106628300000000, -0.0021482700000000, 0.0049953800000000 ] - [ -0.0029704900000000, -0.0000782600000000, 0.0016501300000000 ] - [ -0.0020510100000000, 0.0002941700000000, 0.0019265600000000 ] - [ -0.0021797000000000, 0.0001868700000000, 0.0018551700000000 ] - [ -0.0028786600000000, -0.0009021900000000, 0.0035056900000000 ] - [ -0.0021993300000000, 0.0000863700000000, 0.0016544300000000 ] - [ -0.0021196800000000, 0.0002193600000000, 0.0019320300000000 ] - [ -0.0021892100000000, 0.0001896100000000, 0.0018603300000000 ] - [ 0.0022420500000000, -0.0000623800000000, -0.0018197500000000 ] - [ 0.0021188000000000, -0.0001384400000000, -0.0019548400000000 ] - [ 0.0023567500000000, 0.0004919700000000, 0.0032715600000000 ] - [ 0.0019037900000000, -0.0001538100000000, -0.0024279600000000 ] - [ 0.0022420100000000, -0.0000867500000000, -0.0018654600000000 ] - [ 0.0021192900000000, -0.0001361900000000, -0.0019461000000000 ] - [ 0.0023702800000000, -0.0005048500000000, 0.0008689100000000 ] - [ 0.0019009300000000, -0.0003646800000000, -0.0019756500000000 ] - [ -0.0021147400000000, -0.0001476100000000, 0.0019172000000000 ] - [ -0.0022215200000000, -0.0001014800000000, 0.0018788300000000 ] - [ -0.0028062200000000, 0.0004130100000000, -0.0040659700000000 ] - [ -0.0022570700000000, -0.0001449400000000, 0.0019803300000000 ] - [ -0.0021352900000000, -0.0001522400000000, 0.0019544300000000 ] - [ -0.0022366000000000, -0.0000554400000000, 0.0018106700000000 ] - [ -0.0033628900000000, 0.0010262600000000, 0.0046547400000000 ] - [ -0.0027222300000000, -0.0001771100000000, 0.0008693600000000 ] - [ 0.0019556100000000, -0.0001907900000000, -0.0020599300000000 ] - [ 0.0009892100000000, 0.0016039100000000, -0.0014929500000000 ] - [ 0.0009990400000000, 0.0011322500000000, -0.0019609500000000 ] - [ 0.0019552100000000, -0.0004746300000000, -0.0017142900000000 ] - [ 0.0021894200000000, 0.0001972300000000, -0.0018294900000000 ] - [ 0.0022294100000000, 0.0000893400000000, -0.0021024100000000 ] - [ 0.0022274000000000, 0.0002150200000000, -0.0019065900000000 ] - [ 0.0021901200000000, 0.0001479400000000, -0.0019521600000000 ] - [ -0.0016886600000000, 0.0009552500000000, 0.0016413600000000 ] - [ -0.0024506600000000, -0.0001417100000000, 0.0019469900000000 ] - [ -0.0016914000000000, -0.0001512100000000, 0.0017379400000000 ] - [ -0.0024501200000000, -0.0000570200000000, 0.0019577600000000 ] - [ -0.0021755500000000, 0.0001015200000000, 0.0021438000000000 ] - [ -0.0021992600000000, 0.0002027200000000, 0.0017102500000000 ] - [ -0.0021741700000000, 0.0001667200000000, 0.0020910900000000 ] - [ -0.0021982400000000, 0.0002703600000000, 0.0016391800000000 ] - [ 0.0022780400000000, -0.0002815800000000, -0.0022315800000000 ] - [ 0.0020380000000000, -0.0002003700000000, -0.0017908600000000 ] - [ 0.0021956700000000, -0.0000022600000000, -0.0020528100000000 ] - [ 0.0021360500000000, -0.0001832400000000, -0.0018331400000000 ] - [ 0.0020380900000000, -0.0002812600000000, -0.0017421100000000 ] - [ 0.0022810600000000, 0.0002406300000000, -0.0022364000000000 ] - [ 0.0021358100000000, -0.0002181700000000, -0.0017557100000000 ] - [ 0.0021954200000000, -0.0001617400000000, -0.0019059400000000 ] - [ -0.0020110800000000, -0.0001348400000000, 0.0021485600000000 ] - [ -0.0022370100000000, -0.0003058500000000, 0.0017403100000000 ] - [ -0.0020858100000000, -0.0002124900000000, 0.0019630600000000 ] - [ -0.0022674000000000, -0.0000774800000000, 0.0017050400000000 ] - [ -0.0017668000000000, -0.0002615100000000, 0.0019287500000000 ] - [ -0.0022896100000000, -0.0000848400000000, 0.0017983000000000 ] - [ -0.0020024600000000, -0.0001616400000000, 0.0019720300000000 ] - [ -0.0022943900000000, -0.0000885000000000, 0.0018240500000000 ] - [ -0.0001547600000000, 0.0000053300000000, -0.0001249800000000 ] - [ 0.0001069100000000, 0.0000623200000000, 0.0000725400000000 ] - [ -0.0005239100000000, 0.0000206200000000, -0.0000175500000000 ] - [ 0.0000882600000000, 0.0001612500000000, 0.0000646200000000 ] - [ -0.0000921500000000, 0.0001249500000000, -0.0001121600000000 ] - [ 0.0001348800000000, 0.0000102100000000, 0.0001591400000000 ] - [ 0.0002430800000000, -0.0002373500000000, -0.0004679800000000 ] - [ 0.0001228900000000, 0.0002546800000000, 0.0001171200000000 ] - [ -0.0044265500000000, -0.0037893800000000, 0.0002811100000000 ] - [ 0.0002220300000000, -0.0000996400000000, 0.0000419100000000 ] - [ -0.0001491500000000, -0.0003747200000000, -0.0000468000000000 ] - [ 0.0001259000000000, -0.0001137700000000, 0.0000428900000000 ] - [ 0.0000236000000000, -0.0000354600000000, -0.0001710000000000 ] - [ 0.0000942600000000, -0.0001041800000000, 0.0001535400000000 ] - [ -0.0000515100000000, -0.0001235000000000, -0.0000561600000000 ] - [ 0.0000549100000000, -0.0001208900000000, 0.0000638800000000 ] - [ 0.0002715400000000, 0.0001202400000000, -0.0003925100000000 ] - [ 0.0003279200000000, 0.0003616700000000, 0.0006755500000000 ] - [ 0.0000020600000000, 0.0000745300000000, -0.0000132300000000 ] - [ -0.0000164300000000, -0.0000174500000000, 0.0000281100000000 ] - [ -0.0004951600000000, 0.0002761400000000, -0.0002055300000000 ] - [ 0.0001230200000000, 0.0000486300000000, -0.0001262400000000 ] - [ -0.0000102800000000, 0.0000710700000000, 0.0000114200000000 ] - [ 0.0000274700000000, -0.0000060100000000, -0.0000285900000000 ] - [ -0.0000261400000000, -0.0003095700000000, -0.0000015700000000 ] - [ 0.0000066300000000, -0.0000446900000000, -0.0000007500000000 ] - [ -0.0046166700000000, -0.0036895500000000, -0.0003128500000000 ] - [ 0.0006739000000000, -0.0004606400000000, 0.0000624800000000 ] - [ -0.0000011800000000, -0.0001816900000000, 0.0000000300000000 ] - [ 0.0000002700000000, -0.0000799100000000, 0.0000071000000000 ] - [ -0.0001441200000000, -0.0001243800000000, -0.0002265900000000 ] - [ 0.0000165000000000, 0.0000130600000000, 0.0003968200000000 ] - [ -0.0001571900000000, 0.0076281700000000, -0.0000236000000000 ] - [ 0.0001540700000000, 0.0076420000000000, 0.0000181300000000 ] - [ -0.0461041000000000, 0.0466630600000000, 0.0014495900000000 ] - [ 0.0006228300000000, 0.0079972300000000, -0.0002371100000000 ] - [ -0.0000424900000000, 0.0076630300000000, -0.0001005700000000 ] - [ 0.0000459200000000, 0.0076694900000000, 0.0001108400000000 ] - [ 0.0013023800000000, 0.0073402600000000, -0.0032030800000000 ] - [ 0.0000075900000000, 0.0076679700000000, 0.0009989800000000 ] - [ -0.0060557800000000, -0.0063619000000000, -0.0065205500000000 ] - [ 0.0001513500000000, -0.0076831200000000, 0.0001031200000000 ] - [ -0.0000842300000000, -0.0077544700000000, -0.0000318500000000 ] - [ 0.0000991500000000, -0.0077774200000000, 0.0000139700000000 ] - [ 0.0009767400000000, -0.0082237700000000, -0.0046572000000000 ] - [ 0.0005033700000000, -0.0078568500000000, 0.0005358200000000 ] - [ -0.0000702700000000, -0.0077516800000000, -0.0000542500000000 ] - [ 0.0000564500000000, -0.0077661700000000, 0.0000579300000000 ] - [ 0.0012235800000000, 0.0051581100000000, 0.0000753500000000 ] - [ 0.0003938900000000, 0.0081695000000000, 0.0000037300000000 ] - [ -0.0001190900000000, 0.0078815000000000, 0.0000626600000000 ] - [ 0.0006305900000000, 0.0077403400000000, -0.0002592400000000 ] - [ -0.0000299000000000, 0.0078679900000000, -0.0000960000000000 ] - [ -0.0000437900000000, 0.0076147300000000, 0.0002741100000000 ] - [ -0.0000096900000000, 0.0076993800000000, -0.0000828000000000 ] - [ -0.0000314800000000, 0.0075717900000000, 0.0001382800000000 ] - [ 0.0002603000000000, -0.0079127200000000, -0.0007805400000000 ] - [ -0.0000013500000000, -0.0075822500000000, 0.0003075500000000 ] - [ 0.0000074600000000, -0.0076175300000000, -0.0004201100000000 ] - [ 0.0001405400000000, -0.0079022500000000, 0.0007250200000000 ] - [ -0.0004133000000000, -0.0079501600000000, 0.0006526300000000 ] - [ 0.0001684700000000, -0.0076912200000000, -0.0002263800000000 ] - [ -0.0002430100000000, -0.0076310900000000, 0.0002202500000000 ] - [ 0.0001087400000000, -0.0076341500000000, -0.0001724100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0323902600000000, -0.0517388400000000, -0.0009174700000000 ] - [ 0.0020686500000000, 0.0000513400000000, -0.0018745000000000 ] - [ 0.0021468800000000, 0.0003895900000000, -0.0018913700000000 ] - [ 0.0019918700000000, 0.0004119700000000, -0.0018940400000000 ] - [ 0.0016090500000000, 0.0006192900000000, -0.0010572100000000 ] - [ 0.0021708000000000, 0.0000221000000000, -0.0020336700000000 ] - [ 0.0021367200000000, 0.0002849200000000, -0.0018638500000000 ] - [ 0.0021099200000000, 0.0003046300000000, -0.0019005800000000 ] - [ -0.0044550500000000, -0.0083943500000000, 0.0031255700000000 ] - [ -0.0024048200000000, -0.0002315300000000, 0.0018315700000000 ] - [ -0.0020334100000000, 0.0004047200000000, 0.0019140400000000 ] - [ -0.0021413200000000, 0.0002853500000000, 0.0018799700000000 ] - [ -0.0032622500000000, -0.0027063400000000, 0.0073501800000000 ] - [ -0.0022417500000000, -0.0000239600000000, 0.0017642100000000 ] - [ -0.0021086300000000, 0.0002883300000000, 0.0019131300000000 ] - [ -0.0021382100000000, 0.0002921600000000, 0.0018733100000000 ] - [ 0.0022415700000000, 0.0000265000000000, -0.0018280600000000 ] - [ 0.0021915200000000, -0.0000406500000000, -0.0019324200000000 ] - [ 0.0018340100000000, -0.0017236300000000, -0.0039570000000000 ] - [ 0.0019641700000000, -0.0003199700000000, -0.0020481800000000 ] - [ 0.0022662000000000, 0.0000265700000000, -0.0018834700000000 ] - [ 0.0021901600000000, -0.0000401700000000, -0.0019004500000000 ] - [ 0.0028198800000000, -0.0017293200000000, 0.0001052600000000 ] - [ 0.0021728600000000, -0.0003200900000000, -0.0018561800000000 ] - [ -0.0021806100000000, -0.0000179100000000, 0.0019066700000000 ] - [ -0.0022267500000000, -0.0000311900000000, 0.0018540700000000 ] - [ -0.0027388800000000, -0.0017310000000000, -0.0024991700000000 ] - [ -0.0021830500000000, -0.0002527300000000, 0.0019316000000000 ] - [ -0.0021760300000000, -0.0000448000000000, 0.0019338400000000 ] - [ -0.0022727200000000, 0.0000454100000000, 0.0018443500000000 ] - [ -0.0033502000000000, 0.0000524400000000, 0.0029587600000000 ] - [ -0.0021498300000000, -0.0004763600000000, 0.0017997800000000 ] - [ 0.0028024200000000, 0.0000981100000000, -0.0018707400000000 ] - [ 0.0011866200000000, 0.0012424300000000, -0.0016495700000000 ] - [ 0.0007336300000000, 0.0012355900000000, -0.0019771900000000 ] - [ 0.0025187200000000, 0.0000996500000000, -0.0020776300000000 ] - [ 0.0021792500000000, 0.0002907100000000, -0.0017079700000000 ] - [ 0.0021153500000000, 0.0001215600000000, -0.0022833100000000 ] - [ 0.0022374500000000, 0.0001233300000000, -0.0018431700000000 ] - [ 0.0021292700000000, 0.0002915800000000, -0.0016276800000000 ] - [ -0.0024786600000000, 0.0011578900000000, 0.0014301000000000 ] - [ -0.0023833900000000, -0.0001879300000000, 0.0020201600000000 ] - [ -0.0013773500000000, 0.0011496800000000, 0.0021538100000000 ] - [ -0.0024701600000000, -0.0001891900000000, 0.0020041100000000 ] - [ -0.0021623500000000, 0.0001657800000000, 0.0019935600000000 ] - [ -0.0020584600000000, 0.0002630100000000, 0.0019275300000000 ] - [ -0.0022241800000000, 0.0001677000000000, 0.0019218300000000 ] - [ -0.0021240900000000, 0.0002640100000000, 0.0016327100000000 ] - [ 0.0025661500000000, -0.0000292000000000, -0.0014865000000000 ] - [ 0.0020477600000000, -0.0001833200000000, -0.0020177400000000 ] - [ 0.0021669400000000, 0.0000025700000000, -0.0021201300000000 ] - [ 0.0021100500000000, -0.0002210200000000, -0.0018302500000000 ] - [ 0.0021274100000000, -0.0001838900000000, -0.0017400300000000 ] - [ 0.0020488300000000, -0.0000284900000000, -0.0021873700000000 ] - [ 0.0021444400000000, -0.0002211300000000, -0.0017156400000000 ] - [ 0.0023258500000000, 0.0000027000000000, -0.0017996000000000 ] - [ -0.0021937100000000, -0.0000960000000000, 0.0020733900000000 ] - [ -0.0020214000000000, -0.0003785800000000, 0.0017747800000000 ] - [ -0.0021148500000000, -0.0002055200000000, 0.0017320200000000 ] - [ -0.0022504100000000, -0.0000754500000000, 0.0017020800000000 ] - [ -0.0020650200000000, 0.0000460700000000, 0.0010897800000000 ] - [ -0.0022446000000000, -0.0000208500000000, 0.0020503000000000 ] - [ -0.0021668600000000, 0.0000232000000000, 0.0021339800000000 ] - [ -0.0022395200000000, -0.0000905300000000, 0.0018637000000000 ] - [ -0.0000645800000000, -0.0002172300000000, -0.0001986300000000 ] - [ 0.0000781000000000, -0.0000049900000000, 0.0000765200000000 ] - [ -0.0002893100000000, -0.0001767200000000, 0.0005650000000000 ] - [ 0.0000397600000000, 0.0001846100000000, 0.0000305800000000 ] - [ -0.0001440700000000, -0.0000343800000000, -0.0000069500000000 ] - [ 0.0001143200000000, -0.0000434700000000, 0.0001066600000000 ] - [ 0.0003438900000000, -0.0001753800000000, -0.0005834200000000 ] - [ -0.0000272100000000, 0.0002065000000000, -0.0000307200000000 ] - [ 0.0030986900000000, 0.0048144900000000, -0.0004171800000000 ] - [ 0.0001534500000000, 0.0000394700000000, 0.0000417800000000 ] - [ -0.0000070400000000, -0.0005776200000000, 0.0000035900000000 ] - [ 0.0000130700000000, -0.0002186000000000, 0.0000125400000000 ] - [ 0.0002058100000000, -0.0002127800000000, -0.0002726800000000 ] - [ 0.0000774700000000, 0.0000325700000000, 0.0001077200000000 ] - [ -0.0000059500000000, -0.0001835600000000, -0.0000182900000000 ] - [ 0.0000044800000000, -0.0001991400000000, 0.0000057500000000 ] - [ 0.0002314800000000, 0.0003074200000000, -0.0001918600000000 ] - [ 0.0000465600000000, 0.0004404300000000, 0.0003054700000000 ] - [ -0.0000100200000000, -0.0000554300000000, 0.0000261900000000 ] - [ -0.0000200700000000, -0.0000826100000000, 0.0000304300000000 ] - [ -0.0002742600000000, 0.0007157500000000, -0.0004206200000000 ] - [ -0.0000311300000000, 0.0000615000000000, -0.0003740600000000 ] - [ 0.0000086000000000, -0.0000968600000000, -0.0000213500000000 ] - [ 0.0000228900000000, -0.0000579600000000, -0.0000439500000000 ] - [ 0.0000233100000000, -0.0004257700000000, -0.0000043400000000 ] - [ -0.0000338300000000, -0.0001925600000000, 0.0000109200000000 ] - [ 0.0043643400000000, 0.0044441800000000, 0.0004039600000000 ] - [ 0.0004817200000000, -0.0000971500000000, -0.0000021200000000 ] - [ -0.0000032300000000, -0.0002736600000000, 0.0000128700000000 ] - [ 0.0000033900000000, -0.0001885200000000, -0.0000147500000000 ] - [ -0.0000480000000000, -0.0000200000000000, -0.0001945400000000 ] - [ -0.0002634300000000, 0.0001524500000000, 0.0002790600000000 ] - [ -0.0001094100000000, 0.0074709500000000, -0.0000202600000000 ] - [ 0.0000673600000000, 0.0075540800000000, 0.0000370700000000 ] - [ -0.0354080500000000, 0.0537389100000000, 0.0011939900000000 ] - [ 0.0001729500000000, 0.0079065500000000, -0.0001403600000000 ] - [ -0.0000201900000000, 0.0075846600000000, -0.0000940700000000 ] - [ 0.0000263200000000, 0.0075639100000000, 0.0000708200000000 ] - [ 0.0028339900000000, 0.0087612100000000, 0.0001205300000000 ] - [ 0.0000489900000000, 0.0077903200000000, 0.0001243300000000 ] - [ -0.0014725700000000, 0.0011118800000000, -0.0026316600000000 ] - [ 0.0001287600000000, -0.0075437000000000, 0.0000661700000000 ] - [ -0.0000343000000000, -0.0078592900000000, 0.0000299400000000 ] - [ 0.0000421100000000, -0.0078340200000000, 0.0000433400000000 ] - [ 0.0007697900000000, -0.0075335300000000, -0.0026241500000000 ] - [ 0.0000156900000000, -0.0075657200000000, 0.0002607600000000 ] - [ -0.0000535200000000, -0.0078544700000000, -0.0000395800000000 ] - [ 0.0000367400000000, -0.0078558100000000, -0.0000518500000000 ] - [ 0.0016893700000000, 0.0062159100000000, 0.0000482400000000 ] - [ 0.0000250400000000, 0.0085713500000000, 0.0001004900000000 ] - [ -0.0006725000000000, 0.0075519000000000, 0.0003037600000000 ] - [ 0.0007181700000000, 0.0077524200000000, -0.0003463600000000 ] - [ -0.0000271000000000, 0.0079238200000000, 0.0005677200000000 ] - [ -0.0001073600000000, 0.0075742400000000, -0.0004479900000000 ] - [ 0.0000975000000000, 0.0075656700000000, -0.0002379000000000 ] - [ -0.0001044600000000, 0.0075712300000000, 0.0001574600000000 ] - [ 0.0002439700000000, -0.0079557400000000, -0.0006046800000000 ] - [ -0.0003677600000000, -0.0077529600000000, 0.0001044500000000 ] - [ 0.0000094200000000, -0.0074657500000000, 0.0002818300000000 ] - [ 0.0001168800000000, -0.0078068000000000, 0.0009058600000000 ] - [ 0.0000465200000000, -0.0080536100000000, 0.0008510700000000 ] - [ 0.0001455500000000, -0.0078250400000000, -0.0003173800000000 ] - [ -0.0001358200000000, -0.0079148900000000, -0.0008655600000000 ] - [ 0.0000825600000000, -0.0075695900000000, -0.0002875900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0293723700000000, 0.0525655800000000, -0.0026962000000000 ] - [ 0.0022638700000000, 0.0002704100000000, -0.0019107000000000 ] - [ 0.0021863600000000, -0.0000665500000000, -0.0018920300000000 ] - [ 0.0023399400000000, -0.0000882200000000, -0.0018895400000000 ] - [ 0.0027325100000000, -0.0003012700000000, -0.0027299800000000 ] - [ 0.0021617900000000, 0.0002996500000000, -0.0017500300000000 ] - [ 0.0021965300000000, 0.0000376600000000, -0.0019204000000000 ] - [ 0.0022227900000000, 0.0000180400000000, -0.0018840600000000 ] - [ 0.0001355100000000, 0.0087706400000000, 0.0006480800000000 ] - [ -0.0019276600000000, 0.0005527500000000, 0.0019530500000000 ] - [ -0.0022989300000000, -0.0000813600000000, 0.0018698400000000 ] - [ -0.0021915500000000, 0.0000384200000000, 0.0019038200000000 ] - [ -0.0010640800000000, 0.0030563600000000, -0.0036095500000000 ] - [ -0.0020919000000000, 0.0003457500000000, 0.0020198200000000 ] - [ -0.0022245400000000, 0.0000341900000000, 0.0018717700000000 ] - [ -0.0021952500000000, 0.0000300700000000, 0.0019110700000000 ] - [ 0.0020920000000000, -0.0003483900000000, -0.0019555200000000 ] - [ 0.0021412800000000, -0.0002815000000000, -0.0018518200000000 ] - [ 0.0024973200000000, 0.0014023600000000, 0.0001551800000000 ] - [ 0.0023689100000000, -0.0000026100000000, -0.0017359000000000 ] - [ 0.0020676200000000, -0.0003483500000000, -0.0019011900000000 ] - [ 0.0021429300000000, -0.0002814200000000, -0.0018844400000000 ] - [ 0.0015248400000000, 0.0013967300000000, -0.0039012100000000 ] - [ 0.0021587800000000, -0.0000025200000000, -0.0019294800000000 ] - [ -0.0021525100000000, -0.0003037400000000, 0.0018777700000000 ] - [ -0.0021065300000000, -0.0002908200000000, 0.0019303600000000 ] - [ -0.0015719300000000, 0.0014069900000000, 0.0062853000000000 ] - [ -0.0021496600000000, -0.0000699400000000, 0.0018522300000000 ] - [ -0.0021570800000000, -0.0002771000000000, 0.0018501100000000 ] - [ -0.0020608600000000, -0.0003671100000000, 0.0019390200000000 ] - [ -0.0009725100000000, -0.0003780900000000, 0.0008125600000000 ] - [ -0.0021819600000000, 0.0001531000000000, 0.0019870000000000 ] - [ 0.0015351100000000, 0.0002257500000000, -0.0019117300000000 ] - [ 0.0031297300000000, -0.0009034700000000, -0.0021275700000000 ] - [ 0.0035968900000000, -0.0009106400000000, -0.0018073000000000 ] - [ 0.0018137800000000, 0.0002272700000000, -0.0017059300000000 ] - [ 0.0021533500000000, 0.0000297200000000, -0.0020769100000000 ] - [ 0.0022188200000000, 0.0001991400000000, -0.0015039700000000 ] - [ 0.0020939300000000, 0.0002013800000000, -0.0019410300000000 ] - [ 0.0022041600000000, 0.0000306600000000, -0.0021575100000000 ] - [ -0.0018530200000000, -0.0008244500000000, 0.0023487200000000 ] - [ -0.0019465500000000, 0.0005134900000000, 0.0017622200000000 ] - [ -0.0029619300000000, -0.0008326300000000, 0.0016300500000000 ] - [ -0.0018622400000000, 0.0005126200000000, 0.0017787000000000 ] - [ -0.0021709800000000, 0.0001548900000000, 0.0017928000000000 ] - [ -0.0022761700000000, 0.0000575500000000, 0.0018579900000000 ] - [ -0.0021069900000000, 0.0001563000000000, 0.0018629500000000 ] - [ -0.0022100300000000, 0.0000581800000000, 0.0021530700000000 ] - [ 0.0017657100000000, -0.0002947600000000, -0.0022933500000000 ] - [ 0.0022852000000000, -0.0001396400000000, -0.0017663600000000 ] - [ 0.0021659300000000, -0.0003250800000000, -0.0016628300000000 ] - [ 0.0022237500000000, -0.0001002000000000, -0.0019542100000000 ] - [ 0.0022050600000000, -0.0001402600000000, -0.0020462700000000 ] - [ 0.0022847500000000, -0.0002944200000000, -0.0015998700000000 ] - [ 0.0021895100000000, -0.0001000100000000, -0.0020698700000000 ] - [ 0.0020072000000000, -0.0003246500000000, -0.0019849100000000 ] - [ -0.0021370500000000, -0.0002294800000000, 0.0017118400000000 ] - [ -0.0023122400000000, 0.0000562000000000, 0.0020101300000000 ] - [ -0.0022180300000000, -0.0001155600000000, 0.0020530500000000 ] - [ -0.0020816700000000, -0.0002478800000000, 0.0020810800000000 ] - [ -0.0022669500000000, -0.0003706600000000, 0.0026922300000000 ] - [ -0.0020892800000000, -0.0003024700000000, 0.0017334100000000 ] - [ -0.0021662300000000, -0.0003451100000000, 0.0016493800000000 ] - [ -0.0020945500000000, -0.0002304400000000, 0.0019207800000000 ] - [ 0.0000642500000000, 0.0003977100000000, 0.0001962500000000 ] - [ -0.0000777100000000, 0.0001853100000000, -0.0000766800000000 ] - [ 0.0002902200000000, 0.0003566700000000, -0.0005690200000000 ] - [ -0.0000399200000000, -0.0000046700000000, -0.0000306400000000 ] - [ 0.0001432600000000, 0.0002144200000000, 0.0000077500000000 ] - [ -0.0001135200000000, 0.0002236500000000, -0.0001052400000000 ] - [ -0.0003462200000000, 0.0003547400000000, 0.0005877500000000 ] - [ 0.0000271800000000, -0.0000267600000000, 0.0000306000000000 ] - [ -0.0029344600000000, -0.0048147600000000, 0.0004017700000000 ] - [ -0.0001525400000000, -0.0002179100000000, -0.0000413300000000 ] - [ 0.0000071400000000, 0.0003982400000000, -0.0000035300000000 ] - [ -0.0000133500000000, 0.0000375600000000, -0.0000125100000000 ] - [ -0.0002089900000000, 0.0000383300000000, 0.0002738500000000 ] - [ -0.0000770900000000, -0.0002120300000000, -0.0001072500000000 ] - [ 0.0000058800000000, 0.0000020900000000, 0.0000183500000000 ] - [ -0.0000045700000000, 0.0000183400000000, -0.0000058200000000 ] - [ -0.0002321100000000, -0.0001241000000000, 0.0001894500000000 ] - [ -0.0000458300000000, -0.0002586700000000, -0.0003058900000000 ] - [ 0.0000100800000000, 0.0002350300000000, -0.0000264900000000 ] - [ 0.0000201400000000, 0.0002626500000000, -0.0000307700000000 ] - [ 0.0002757100000000, -0.0005435900000000, 0.0004310800000000 ] - [ 0.0000338100000000, 0.0001222500000000, 0.0003791400000000 ] - [ -0.0000086400000000, 0.0002766200000000, 0.0000216300000000 ] - [ -0.0000229300000000, 0.0002377500000000, 0.0000442700000000 ] - [ -0.0000234300000000, 0.0002439000000000, 0.0000043300000000 ] - [ 0.0000338400000000, 0.0000120700000000, -0.0000108700000000 ] - [ -0.0044836100000000, -0.0046799600000000, -0.0004151000000000 ] - [ -0.0004837000000000, -0.0000852000000000, 0.0000045000000000 ] - [ 0.0000030600000000, 0.0000929900000000, -0.0000127600000000 ] - [ -0.0000033900000000, 0.0000084900000000, 0.0000147700000000 ] - [ 0.0000467300000000, -0.0001611000000000, 0.0001945600000000 ] - [ 0.0002675100000000, -0.0003352700000000, -0.0002792600000000 ] - [ 0.0001084300000000, 0.0079329800000000, 0.0000206900000000 ] - [ -0.0000670500000000, 0.0078490300000000, -0.0000363100000000 ] - [ 0.0366379100000000, -0.0390067900000000, -0.0013066200000000 ] - [ -0.0001732300000000, 0.0074978600000000, 0.0001419000000000 ] - [ 0.0000197800000000, 0.0078208800000000, 0.0000942500000000 ] - [ -0.0000262100000000, 0.0078416100000000, -0.0000698200000000 ] - [ -0.0028587000000000, 0.0066373600000000, -0.0001079200000000 ] - [ -0.0000485800000000, 0.0076148100000000, -0.0001260000000000 ] - [ 0.0014739100000000, -0.0165266500000000, 0.0026518000000000 ] - [ -0.0001287500000000, -0.0078604700000000, -0.0000657300000000 ] - [ 0.0000344700000000, -0.0075465300000000, -0.0000315500000000 ] - [ -0.0000416900000000, -0.0075718200000000, -0.0000449700000000 ] - [ -0.0007841800000000, -0.0078673900000000, 0.0026358100000000 ] - [ -0.0000150000000000, -0.0078372200000000, -0.0002606800000000 ] - [ 0.0000532600000000, -0.0075514200000000, 0.0000402800000000 ] - [ -0.0000365800000000, -0.0075502700000000, 0.0000524100000000 ] - [ -0.0016674000000000, 0.0091665200000000, -0.0000447500000000 ] - [ -0.0000306200000000, 0.0068314200000000, -0.0000987200000000 ] - [ 0.0006773500000000, 0.0078500200000000, -0.0003050500000000 ] - [ -0.0007179800000000, 0.0076509000000000, 0.0003499300000000 ] - [ 0.0000259400000000, 0.0074837500000000, -0.0005655800000000 ] - [ 0.0001099300000000, 0.0078346200000000, 0.0004467400000000 ] - [ -0.0000989900000000, 0.0078392600000000, 0.0002395200000000 ] - [ 0.0001060800000000, 0.0078336200000000, -0.0001589000000000 ] - [ -0.0002430900000000, -0.0074501100000000, 0.0005955100000000 ] - [ 0.0003686100000000, -0.0076530900000000, -0.0001079500000000 ] - [ -0.0000099400000000, -0.0079412500000000, -0.0002835200000000 ] - [ -0.0001181700000000, -0.0075962700000000, -0.0009105000000000 ] - [ -0.0000479900000000, -0.0073526500000000, -0.0008422000000000 ] - [ -0.0001450000000000, -0.0075800500000000, 0.0003201500000000 ] - [ 0.0001363300000000, -0.0074905400000000, 0.0008676500000000 ] - [ -0.0000822500000000, -0.0078379900000000, 0.0002895000000000 ]- atom: 1 displacement: [ -0.0052513036271976, 0.0000000000000000, 0.0085102179886876 ] forces: - [ 0.0364805000000000, -0.0150949400000000, -0.0402670500000000 ] - [ 0.0019672200000000, 0.0002275300000000, -0.0016720300000000 ] - [ 0.0021877400000000, 0.0001718400000000, -0.0019417100000000 ] - [ 0.0020405700000000, 0.0002505800000000, -0.0018956000000000 ] - [ 0.0006567300000000, 0.0011703000000000, 0.0002802000000000 ] - [ 0.0024644900000000, 0.0000366500000000, -0.0018495900000000 ] - [ 0.0021402600000000, 0.0002008200000000, -0.0018430400000000 ] - [ 0.0021914200000000, 0.0001828100000000, -0.0018722300000000 ] - [ -0.0093094000000000, -0.0021202400000000, 0.0040602300000000 ] - [ -0.0023843800000000, 0.0000865000000000, 0.0017796400000000 ] - [ -0.0021390700000000, 0.0002105500000000, 0.0018940400000000 ] - [ -0.0021436200000000, 0.0001853200000000, 0.0018802800000000 ] - [ -0.0039853300000000, -0.0050969300000000, 0.0116789900000000 ] - [ -0.0019852200000000, 0.0002299100000000, 0.0023400000000000 ] - [ -0.0021781100000000, 0.0001741300000000, 0.0018853500000000 ] - [ -0.0021528800000000, 0.0001925500000000, 0.0019049000000000 ] - [ 0.0021863900000000, -0.0001150100000000, -0.0018756300000000 ] - [ 0.0021909900000000, -0.0001405100000000, -0.0018994600000000 ] - [ -0.0001119100000000, -0.0015295600000000, 0.0031870100000000 ] - [ 0.0021000300000000, -0.0001888700000000, -0.0019250200000000 ] - [ 0.0021476700000000, -0.0001750600000000, -0.0018984900000000 ] - [ 0.0021974300000000, -0.0001130000000000, -0.0018961800000000 ] - [ -0.0020917500000000, 0.0013884200000000, 0.0018570000000000 ] - [ 0.0024877500000000, -0.0001340300000000, -0.0016876600000000 ] - [ -0.0021621200000000, -0.0001414300000000, 0.0018340600000000 ] - [ -0.0021862000000000, -0.0001621500000000, 0.0018798200000000 ] - [ 0.0025827000000000, -0.0035896600000000, 0.0018100100000000 ] - [ -0.0022916100000000, -0.0001184600000000, 0.0020034400000000 ] - [ -0.0022054000000000, -0.0001202300000000, 0.0019456100000000 ] - [ -0.0021360600000000, -0.0001455400000000, 0.0019069600000000 ] - [ -0.0051661800000000, 0.0013809000000000, 0.0055677000000000 ] - [ -0.0015881300000000, -0.0002499800000000, 0.0019612000000000 ] - [ 0.0019072000000000, -0.0001836000000000, -0.0021271000000000 ] - [ 0.0016095200000000, 0.0008460500000000, -0.0017949700000000 ] - [ 0.0012142800000000, 0.0008781300000000, -0.0020394700000000 ] - [ 0.0022023500000000, -0.0001545700000000, -0.0019488100000000 ] - [ 0.0022326100000000, 0.0004058800000000, -0.0016850100000000 ] - [ 0.0022142200000000, 0.0001647200000000, -0.0017900500000000 ] - [ 0.0023799400000000, -0.0001439800000000, -0.0016884700000000 ] - [ 0.0021264800000000, 0.0003112700000000, -0.0017491400000000 ] - [ -0.0017841200000000, 0.0003528900000000, 0.0016216200000000 ] - [ -0.0023745900000000, -0.0000944200000000, 0.0020539000000000 ] - [ -0.0017047700000000, 0.0003903600000000, 0.0016729900000000 ] - [ -0.0023660400000000, -0.0000650900000000, 0.0020594100000000 ] - [ -0.0023427100000000, 0.0001060100000000, 0.0021240800000000 ] - [ -0.0019680100000000, 0.0004060200000000, 0.0017598000000000 ] - [ -0.0023887300000000, 0.0000763600000000, 0.0020939800000000 ] - [ -0.0020303200000000, 0.0001885400000000, 0.0017215400000000 ] - [ 0.0025211400000000, 0.0000261600000000, -0.0022759700000000 ] - [ 0.0019715900000000, -0.0003114000000000, -0.0016133100000000 ] - [ 0.0021958600000000, -0.0001557700000000, -0.0020270400000000 ] - [ 0.0020352100000000, -0.0003237900000000, -0.0017982400000000 ] - [ 0.0020158700000000, -0.0001149600000000, -0.0015856000000000 ] - [ 0.0025183700000000, -0.0002956900000000, -0.0022794800000000 ] - [ 0.0021039900000000, -0.0002430100000000, -0.0017541800000000 ] - [ 0.0023212500000000, 0.0000337000000000, -0.0019483500000000 ] - [ -0.0023042900000000, 0.0000060700000000, 0.0017670000000000 ] - [ -0.0020766600000000, -0.0003368100000000, 0.0017622200000000 ] - [ -0.0021858600000000, -0.0003253700000000, 0.0017594200000000 ] - [ -0.0020633700000000, -0.0002774300000000, 0.0017745100000000 ] - [ -0.0019934000000000, -0.0008956700000000, 0.0026423100000000 ] - [ -0.0021534400000000, 0.0000142900000000, 0.0019977000000000 ] - [ -0.0021524300000000, 0.0000463800000000, 0.0020646600000000 ] - [ -0.0021771300000000, -0.0001476200000000, 0.0019475400000000 ] - [ -0.0000403200000000, -0.0001369200000000, 0.0000719100000000 ] - [ 0.0000127100000000, 0.0000896800000000, 0.0000033900000000 ] - [ -0.0002557400000000, 0.0005562700000000, 0.0002612000000000 ] - [ 0.0000342800000000, 0.0000935700000000, 0.0000084700000000 ] - [ 0.0000919100000000, 0.0001609400000000, -0.0000608900000000 ] - [ -0.0000447100000000, 0.0000804600000000, 0.0000224500000000 ] - [ 0.0005405900000000, -0.0002889500000000, -0.0004034300000000 ] - [ -0.0000420600000000, 0.0001143200000000, 0.0000074500000000 ] - [ -0.0019286800000000, -0.0014153000000000, 0.0004942000000000 ] - [ 0.0000591600000000, -0.0000750700000000, -0.0000158600000000 ] - [ -0.0000409000000000, -0.0003247300000000, 0.0000383200000000 ] - [ 0.0000361400000000, -0.0001197400000000, 0.0000197700000000 ] - [ 0.0005496000000000, -0.0007485000000000, -0.0004170400000000 ] - [ -0.0000800300000000, -0.0000442200000000, -0.0000487300000000 ] - [ 0.0000255200000000, -0.0000359400000000, -0.0000351300000000 ] - [ -0.0000212600000000, -0.0001230300000000, -0.0000191800000000 ] - [ 0.0004201800000000, -0.0000637300000000, 0.0000039800000000 ] - [ -0.0002330000000000, 0.0000551400000000, 0.0006003000000000 ] - [ -0.0000074700000000, 0.0000846600000000, 0.0000081800000000 ] - [ -0.0000135400000000, 0.0000626300000000, 0.0000408700000000 ] - [ -0.0000327000000000, -0.0001257000000000, 0.0036654200000000 ] - [ -0.0002218500000000, -0.0001892400000000, -0.0008367700000000 ] - [ -0.0000047700000000, 0.0000579200000000, -0.0000148500000000 ] - [ 0.0000252200000000, 0.0000659800000000, -0.0000390800000000 ] - [ -0.0000465900000000, -0.0001571100000000, 0.0000342200000000 ] - [ 0.0000050200000000, -0.0001021000000000, 0.0000169400000000 ] - [ -0.0028271200000000, -0.0022300300000000, 0.0002408300000000 ] - [ 0.0004346100000000, -0.0003952100000000, -0.0000985700000000 ] - [ 0.0000136300000000, -0.0000964600000000, -0.0000440200000000 ] - [ -0.0000011100000000, -0.0001574900000000, -0.0000070200000000 ] - [ 0.0000226600000000, -0.0001040900000000, -0.0004963500000000 ] - [ -0.0006156100000000, 0.0003409200000000, -0.0000977400000000 ] - [ -0.0000399800000000, 0.0077049200000000, 0.0000958200000000 ] - [ 0.0000654100000000, 0.0076760000000000, 0.0000301300000000 ] - [ -0.0214316900000000, 0.0278761500000000, 0.0095398900000000 ] - [ 0.0002581000000000, 0.0077362900000000, -0.0002149100000000 ] - [ 0.0000336200000000, 0.0076543100000000, -0.0000807600000000 ] - [ -0.0000296000000000, 0.0076678500000000, -0.0000447000000000 ] - [ 0.0051023100000000, 0.0093222300000000, -0.0040046200000000 ] - [ -0.0002803800000000, 0.0077627700000000, -0.0000425600000000 ] - [ -0.0019674100000000, -0.0010844400000000, 0.0074117400000000 ] - [ 0.0001819000000000, -0.0077030400000000, -0.0003848100000000 ] - [ -0.0000211000000000, -0.0077085600000000, 0.0000734500000000 ] - [ 0.0000173900000000, -0.0076972300000000, 0.0000308900000000 ] - [ 0.0035952300000000, -0.0075487500000000, -0.0047641500000000 ] - [ -0.0004328300000000, -0.0075552400000000, 0.0002266400000000 ] - [ 0.0000377700000000, -0.0077439900000000, -0.0000836100000000 ] - [ -0.0000433000000000, -0.0077528100000000, -0.0000229800000000 ] - [ 0.0000199300000000, 0.0068164300000000, 0.0009874500000000 ] - [ 0.0003282200000000, 0.0080997300000000, -0.0000876100000000 ] - [ -0.0003008500000000, 0.0077685700000000, 0.0002954600000000 ] - [ 0.0004828300000000, 0.0078110400000000, -0.0002079000000000 ] - [ 0.0001511600000000, 0.0077121500000000, -0.0009427900000000 ] - [ -0.0003992100000000, 0.0072288200000000, -0.0000700200000000 ] - [ 0.0001593700000000, 0.0076198100000000, -0.0003230000000000 ] - [ -0.0002114000000000, 0.0077078400000000, 0.0000654200000000 ] - [ 0.0003134300000000, -0.0077479600000000, -0.0005771900000000 ] - [ -0.0002461200000000, -0.0076162600000000, 0.0004732700000000 ] - [ 0.0001828400000000, -0.0073455700000000, 0.0000069700000000 ] - [ -0.0001067700000000, -0.0075839700000000, 0.0007405300000000 ] - [ -0.0004639500000000, -0.0074943900000000, 0.0002269900000000 ] - [ 0.0001214900000000, -0.0077843700000000, -0.0004006700000000 ] - [ -0.0002234600000000, -0.0081011600000000, -0.0001783900000000 ] - [ 0.0000247200000000, -0.0075629900000000, -0.0005274600000000 ]- atom: 1 displacement: [ 0.0052513036271976, 0.0000000000000000, -0.0085102179886876 ] forces: - [ -0.0326367600000000, 0.0158217000000000, 0.0357774800000000 ] - [ 0.0023673600000000, 0.0000940500000000, -0.0021101800000000 ] - [ 0.0021462200000000, 0.0001507500000000, -0.0018430100000000 ] - [ 0.0022930000000000, 0.0000725600000000, -0.0018867300000000 ] - [ 0.0036759800000000, -0.0008412400000000, -0.0040568400000000 ] - [ 0.0018716200000000, 0.0002834000000000, -0.0019337800000000 ] - [ 0.0021940700000000, 0.0001214200000000, -0.0019404300000000 ] - [ 0.0021447200000000, 0.0001385900000000, -0.0019104100000000 ] - [ 0.0049960100000000, 0.0023975600000000, -0.0002530300000000 ] - [ -0.0019505000000000, 0.0002338100000000, 0.0020032800000000 ] - [ -0.0021975700000000, 0.0001105500000000, 0.0018887900000000 ] - [ -0.0021909000000000, 0.0001381700000000, 0.0019039700000000 ] - [ -0.0003696900000000, 0.0053837600000000, -0.0077861300000000 ] - [ -0.0023507900000000, 0.0000913600000000, 0.0014452800000000 ] - [ -0.0021575400000000, 0.0001483600000000, 0.0018977700000000 ] - [ -0.0021819200000000, 0.0001302700000000, 0.0018796900000000 ] - [ 0.0021499300000000, -0.0002051700000000, -0.0019078500000000 ] - [ 0.0021453800000000, -0.0001800100000000, -0.0018832200000000 ] - [ 0.0044213200000000, 0.0011995700000000, -0.0068824400000000 ] - [ 0.0022340000000000, -0.0001342700000000, -0.0018571700000000 ] - [ 0.0021881500000000, -0.0001459000000000, -0.0018839500000000 ] - [ 0.0021378500000000, -0.0002081400000000, -0.0018879400000000 ] - [ 0.0064930100000000, -0.0017644400000000, -0.0057123600000000 ] - [ 0.0018504000000000, -0.0001874100000000, -0.0020954900000000 ] - [ -0.0021723000000000, -0.0001805700000000, 0.0019498400000000 ] - [ -0.0021494000000000, -0.0001598900000000, 0.0019036600000000 ] - [ -0.0069139300000000, 0.0032714700000000, 0.0019500800000000 ] - [ -0.0020443900000000, -0.0002034600000000, 0.0017798100000000 ] - [ -0.0021299400000000, -0.0002012800000000, 0.0018389100000000 ] - [ -0.0021988600000000, -0.0001761400000000, 0.0018773700000000 ] - [ 0.0008188200000000, -0.0016944400000000, -0.0017524400000000 ] - [ -0.0027406800000000, -0.0000731500000000, 0.0018284900000000 ] - [ 0.0024250300000000, 0.0005030800000000, -0.0016567600000000 ] - [ 0.0027161500000000, -0.0005126300000000, -0.0019850100000000 ] - [ 0.0031088600000000, -0.0005482400000000, -0.0017433600000000 ] - [ 0.0021347100000000, 0.0004760400000000, -0.0018378700000000 ] - [ 0.0021038200000000, -0.0000835700000000, -0.0020972000000000 ] - [ 0.0021214100000000, 0.0001574500000000, -0.0019929500000000 ] - [ 0.0019562800000000, 0.0004649100000000, -0.0020951600000000 ] - [ 0.0022075000000000, 0.0000112800000000, -0.0020325500000000 ] - [ -0.0025433300000000, -0.0000328900000000, 0.0021616800000000 ] - [ -0.0019612300000000, 0.0004162300000000, 0.0017304200000000 ] - [ -0.0026265600000000, -0.0000618200000000, 0.0021127600000000 ] - [ -0.0019710500000000, 0.0003838000000000, 0.0017246800000000 ] - [ -0.0019934000000000, 0.0002166900000000, 0.0016613300000000 ] - [ -0.0023655600000000, -0.0000819300000000, 0.0020233400000000 ] - [ -0.0019495700000000, 0.0002432300000000, 0.0016869400000000 ] - [ -0.0023043500000000, 0.0001340600000000, 0.0020612600000000 ] - [ 0.0018140600000000, -0.0003499700000000, -0.0015126700000000 ] - [ 0.0023620000000000, -0.0000107700000000, -0.0021687700000000 ] - [ 0.0021392100000000, -0.0001652700000000, -0.0017582400000000 ] - [ 0.0022989600000000, 0.0000014200000000, -0.0019865000000000 ] - [ 0.0023195700000000, -0.0002050700000000, -0.0021952600000000 ] - [ 0.0018189300000000, -0.0000288800000000, -0.0015119900000000 ] - [ 0.0022329500000000, -0.0000789000000000, -0.0020264800000000 ] - [ 0.0020137000000000, -0.0003555900000000, -0.0018346900000000 ] - [ -0.0020282400000000, -0.0003311100000000, 0.0020140500000000 ] - [ -0.0022591300000000, 0.0000147300000000, 0.0020210300000000 ] - [ -0.0021489000000000, 0.0000025600000000, 0.0020228200000000 ] - [ -0.0022718000000000, -0.0000444500000000, 0.0020079500000000 ] - [ -0.0023451800000000, 0.0005728500000000, 0.0011460600000000 ] - [ -0.0021807300000000, -0.0003361500000000, 0.0017860700000000 ] - [ -0.0021843700000000, -0.0003669100000000, 0.0017189900000000 ] - [ -0.0021575700000000, -0.0001747500000000, 0.0018355200000000 ] - [ 0.0000399700000000, 0.0003230300000000, -0.0000714500000000 ] - [ -0.0000126500000000, 0.0000985100000000, -0.0000035300000000 ] - [ 0.0002526700000000, -0.0003696900000000, -0.0002572400000000 ] - [ -0.0000340500000000, 0.0000947700000000, -0.0000084900000000 ] - [ -0.0000915200000000, 0.0000275500000000, 0.0000596200000000 ] - [ 0.0000445600000000, 0.0001074200000000, -0.0000219600000000 ] - [ -0.0005393200000000, 0.0004789700000000, 0.0003988100000000 ] - [ 0.0000414900000000, 0.0000738600000000, -0.0000076500000000 ] - [ 0.0019355600000000, 0.0012621200000000, -0.0004741100000000 ] - [ -0.0000588500000000, -0.0001121100000000, 0.0000158100000000 ] - [ 0.0000403100000000, 0.0001342200000000, -0.0000382700000000 ] - [ -0.0000364000000000, -0.0000687900000000, -0.0000193700000000 ] - [ -0.0005464300000000, 0.0005552400000000, 0.0004140000000000 ] - [ 0.0000794900000000, -0.0001432200000000, 0.0000487000000000 ] - [ -0.0000259000000000, -0.0001519300000000, 0.0000347900000000 ] - [ 0.0000213300000000, -0.0000657900000000, 0.0000189400000000 ] - [ -0.0004171500000000, 0.0002515900000000, -0.0000032600000000 ] - [ 0.0002338800000000, 0.0001351000000000, -0.0005973800000000 ] - [ 0.0000066900000000, 0.0001032600000000, -0.0000082700000000 ] - [ 0.0000130600000000, 0.0001250600000000, -0.0000407100000000 ] - [ -0.0000151400000000, 0.0003447500000000, -0.0038147500000000 ] - [ 0.0002189500000000, 0.0003758100000000, 0.0008323700000000 ] - [ 0.0000043200000000, 0.0001297300000000, 0.0000141400000000 ] - [ -0.0000250700000000, 0.0001214000000000, 0.0000386000000000 ] - [ 0.0000451400000000, -0.0000323200000000, -0.0000344200000000 ] - [ -0.0000053500000000, -0.0000865800000000, -0.0000171000000000 ] - [ 0.0028011700000000, 0.0020172700000000, -0.0002585600000000 ] - [ -0.0004318300000000, 0.0002064300000000, 0.0000977100000000 ] - [ -0.0000139100000000, -0.0000923100000000, 0.0000433500000000 ] - [ 0.0000008700000000, -0.0000318500000000, 0.0000069400000000 ] - [ -0.0000200600000000, -0.0000837000000000, 0.0004967800000000 ] - [ 0.0006114300000000, -0.0005271200000000, 0.0001005800000000 ] - [ 0.0000393800000000, 0.0076990400000000, -0.0000958900000000 ] - [ -0.0000645400000000, 0.0077256100000000, -0.0000293700000000 ] - [ 0.0219003600000000, -0.0128746100000000, -0.0094450900000000 ] - [ -0.0002588300000000, 0.0076673500000000, 0.0002151200000000 ] - [ -0.0000342100000000, 0.0077484700000000, 0.0000801600000000 ] - [ 0.0000290900000000, 0.0077353800000000, 0.0000441200000000 ] - [ -0.0050797800000000, 0.0060888900000000, 0.0039865300000000 ] - [ 0.0002802200000000, 0.0076426200000000, 0.0000384200000000 ] - [ 0.0020297500000000, -0.0142331100000000, -0.0067639800000000 ] - [ -0.0001799900000000, -0.0077000700000000, 0.0003823800000000 ] - [ 0.0000207800000000, -0.0076958100000000, -0.0000726600000000 ] - [ -0.0000172300000000, -0.0077068600000000, -0.0000322300000000 ] - [ -0.0035957200000000, -0.0078674300000000, 0.0047317000000000 ] - [ 0.0004278900000000, -0.0078464400000000, -0.0002256700000000 ] - [ -0.0000375800000000, -0.0076603800000000, 0.0000822800000000 ] - [ 0.0000428000000000, -0.0076515300000000, 0.0000218300000000 ] - [ -0.0000305600000000, 0.0085812900000000, -0.0009697700000000 ] - [ -0.0003252800000000, 0.0073038200000000, 0.0000854000000000 ] - [ 0.0002957200000000, 0.0076339600000000, -0.0002938000000000 ] - [ -0.0004772000000000, 0.0075934000000000, 0.0002049500000000 ] - [ -0.0001503900000000, 0.0076911900000000, 0.0009381400000000 ] - [ 0.0003950100000000, 0.0081719800000000, 0.0000712600000000 ] - [ -0.0001579600000000, 0.0077835900000000, 0.0003223300000000 ] - [ 0.0002094700000000, 0.0076951200000000, -0.0000634500000000 ] - [ -0.0003129100000000, -0.0076560800000000, 0.0005678800000000 ] - [ 0.0002462200000000, -0.0077865500000000, -0.0004719700000000 ] - [ -0.0001825900000000, -0.0080559400000000, -0.0000014000000000 ] - [ 0.0001068800000000, -0.0078193100000000, -0.0007363800000000 ] - [ 0.0004621200000000, -0.0079087100000000, -0.0002301100000000 ] - [ -0.0001216200000000, -0.0076197200000000, 0.0003987400000000 ] - [ 0.0002241000000000, -0.0073025800000000, 0.0001711100000000 ] - [ -0.0000255300000000, -0.0078385500000000, 0.0005243500000000 ]- atom: 65 displacement: [ 0.0099999673982273, 0.0000000000000000, 0.0000255349640940 ] forces: - [ 0.0023212200000000, 0.0000956300000000, -0.0018444300000000 ] - [ 0.0020598900000000, 0.0002389500000000, -0.0019430800000000 ] - [ 0.0026924000000000, -0.0001277900000000, -0.0018664400000000 ] - [ 0.0020782600000000, 0.0002005000000000, -0.0019067200000000 ] - [ 0.0022584000000000, 0.0000171500000000, -0.0017281300000000 ] - [ 0.0020323200000000, 0.0002747900000000, -0.0020278700000000 ] - [ 0.0019228800000000, 0.0005038000000000, -0.0014088500000000 ] - [ 0.0020441800000000, 0.0001330200000000, -0.0020171900000000 ] - [ -0.0020751300000000, 0.0003045000000000, 0.0020566400000000 ] - [ -0.0023016900000000, 0.0000463700000000, 0.0017569500000000 ] - [ -0.0024108000000000, -0.0001831500000000, 0.0023750300000000 ] - [ -0.0022897800000000, 0.0001876700000000, 0.0017674500000000 ] - [ -0.0020127200000000, 0.0002254100000000, 0.0019408200000000 ] - [ -0.0022734400000000, 0.0000828500000000, 0.0018415300000000 ] - [ -0.0016424200000000, 0.0004489700000000, 0.0019187500000000 ] - [ -0.0022554600000000, 0.0001205800000000, 0.0018780200000000 ] - [ 0.0065834500000000, -0.0031156400000000, -0.0014141400000000 ] - [ 0.0019455000000000, -0.0003138400000000, -0.0019595800000000 ] - [ 0.0023159300000000, -0.0001537800000000, -0.0018475900000000 ] - [ 0.0020412700000000, -0.0001735600000000, -0.0019278800000000 ] - [ 0.0021395200000000, -0.0003676600000000, -0.0012667200000000 ] - [ 0.0020727200000000, -0.0002383200000000, -0.0020443200000000 ] - [ 0.0022181900000000, -0.0001544800000000, -0.0018306300000000 ] - [ 0.0021117600000000, -0.0001651500000000, -0.0019516300000000 ] - [ 0.0023091900000000, 0.0029144700000000, 0.0023630400000000 ] - [ -0.0023878600000000, -0.0000079100000000, 0.0018252400000000 ] - [ -0.0020173700000000, -0.0001679600000000, 0.0019369900000000 ] - [ -0.0022932200000000, -0.0001469100000000, 0.0018572600000000 ] - [ -0.0021939400000000, 0.0000457000000000, 0.0025180900000000 ] - [ -0.0022608600000000, -0.0000832400000000, 0.0017406400000000 ] - [ -0.0021154500000000, -0.0001665700000000, 0.0019544300000000 ] - [ -0.0022218800000000, -0.0001559800000000, 0.0018331600000000 ] - [ 0.0018951400000000, 0.0003932400000000, -0.0015667900000000 ] - [ 0.0018385400000000, 0.0002094600000000, -0.0023655200000000 ] - [ 0.0021647600000000, 0.0001505900000000, -0.0019017200000000 ] - [ 0.0021830300000000, 0.0001406200000000, -0.0018978100000000 ] - [ 0.0026635500000000, -0.0001154700000000, -0.0015865900000000 ] - [ 0.0020464300000000, 0.0001264600000000, -0.0022292700000000 ] - [ 0.0021767700000000, 0.0001692700000000, -0.0018912800000000 ] - [ 0.0021392000000000, 0.0001835000000000, -0.0018800400000000 ] - [ -0.0016656100000000, 0.0004368100000000, 0.0022038900000000 ] - [ -0.0022880000000000, 0.0001934100000000, 0.0015575600000000 ] - [ -0.0021568700000000, 0.0001520900000000, 0.0018934900000000 ] - [ -0.0021943500000000, 0.0001378700000000, 0.0019048100000000 ] - [ -0.0024360800000000, -0.0000694800000000, 0.0022168200000000 ] - [ -0.0024936300000000, 0.0001156700000000, 0.0014166400000000 ] - [ -0.0021690500000000, 0.0001706600000000, 0.0018831400000000 ] - [ -0.0021505500000000, 0.0001806700000000, 0.0018871300000000 ] - [ 0.0067870300000000, -0.0046669900000000, -0.0023915800000000 ] - [ 0.0014912800000000, -0.0006410700000000, -0.0018003900000000 ] - [ 0.0021926700000000, -0.0001835400000000, -0.0019301500000000 ] - [ 0.0021601000000000, -0.0001267100000000, -0.0018905000000000 ] - [ 0.0023101800000000, -0.0001131100000000, -0.0017793000000000 ] - [ 0.0021519400000000, 0.0001028800000000, -0.0026221700000000 ] - [ 0.0021678400000000, -0.0001574000000000, -0.0018756400000000 ] - [ 0.0021664700000000, -0.0001639600000000, -0.0018940000000000 ] - [ 0.0022829700000000, 0.0041839700000000, 0.0013757400000000 ] - [ -0.0028416100000000, 0.0003241700000000, 0.0019845700000000 ] - [ -0.0021414100000000, -0.0001369000000000, 0.0018544500000000 ] - [ -0.0021734800000000, -0.0001943100000000, 0.0018944100000000 ] - [ -0.0020226100000000, -0.0002087900000000, 0.0020041700000000 ] - [ -0.0021784500000000, -0.0004265500000000, 0.0011637400000000 ] - [ -0.0021659900000000, -0.0001636200000000, 0.0019091400000000 ] - [ -0.0021672500000000, -0.0001571900000000, 0.0018910000000000 ] - [ -0.0217636400000000, 0.0001446000000000, -0.0025164200000000 ] - [ 0.0003378700000000, 0.0000903900000000, 0.0001771800000000 ] - [ -0.0000066100000000, 0.0000902000000000, 0.0000061100000000 ] - [ 0.0000040200000000, 0.0000900800000000, -0.0000022200000000 ] - [ -0.0001626100000000, 0.0000904800000000, -0.0002941800000000 ] - [ 0.0002645100000000, 0.0000902300000000, 0.0002657100000000 ] - [ 0.0000032900000000, 0.0000901300000000, -0.0000050600000000 ] - [ -0.0000049100000000, 0.0000901400000000, -0.0000000900000000 ] - [ -0.0001995400000000, -0.0006771600000000, -0.0008823900000000 ] - [ 0.0002953800000000, -0.0000723500000000, 0.0002315100000000 ] - [ -0.0000142300000000, -0.0000385400000000, -0.0000020800000000 ] - [ 0.0000032500000000, -0.0000992600000000, -0.0000006400000000 ] - [ -0.0001963800000000, 0.0004949800000000, -0.0008815700000000 ] - [ 0.0002954400000000, -0.0001084300000000, 0.0002319300000000 ] - [ -0.0000143000000000, -0.0001422300000000, -0.0000022700000000 ] - [ 0.0000032200000000, -0.0000809500000000, -0.0000006900000000 ] - [ 0.0001128400000000, 0.0004625100000000, -0.0000085200000000 ] - [ 0.0001125200000000, -0.0002819700000000, -0.0000081400000000 ] - [ 0.0001131400000000, -0.0000393500000000, 0.0000212700000000 ] - [ 0.0001120200000000, 0.0002197100000000, 0.0000208600000000 ] - [ -0.0000245700000000, 0.0002740100000000, 0.0000247000000000 ] - [ -0.0000246800000000, -0.0000936900000000, 0.0000247900000000 ] - [ -0.0000243300000000, 0.0000738500000000, -0.0000146900000000 ] - [ -0.0000246600000000, 0.0001064500000000, -0.0000146500000000 ] - [ 0.0004251800000000, -0.0008096000000000, 0.0008331900000000 ] - [ 0.0000617000000000, 0.0001160600000000, -0.0000719300000000 ] - [ -0.0000083700000000, -0.0000374400000000, 0.0000081700000000 ] - [ 0.0000095700000000, -0.0001245500000000, -0.0000056900000000 ] - [ 0.0000616800000000, -0.0002956000000000, -0.0000715700000000 ] - [ 0.0004249700000000, 0.0006338700000000, 0.0008380900000000 ] - [ 0.0000096400000000, -0.0000560000000000, -0.0000056100000000 ] - [ -0.0000084700000000, -0.0001429900000000, 0.0000080200000000 ] - [ -0.0001735100000000, 0.0085835900000000, -0.0020747600000000 ] - [ 0.0001634900000000, 0.0076787000000000, 0.0002123100000000 ] - [ -0.0001381000000000, 0.0076741500000000, 0.0000050000000000 ] - [ 0.0001264000000000, 0.0077078700000000, -0.0000132400000000 ] - [ -0.0001710400000000, 0.0068242000000000, -0.0020769300000000 ] - [ 0.0001634300000000, 0.0077266700000000, 0.0002126200000000 ] - [ -0.0001376600000000, 0.0077307800000000, 0.0000045000000000 ] - [ 0.0001259700000000, 0.0076969500000000, -0.0000128200000000 ] - [ -0.0003787700000000, -0.0077020500000000, -0.0001025000000000 ] - [ 0.0001839600000000, -0.0077030600000000, 0.0001032900000000 ] - [ -0.0027750300000000, -0.0077103100000000, 0.0007401400000000 ] - [ 0.0002106300000000, -0.0077026200000000, -0.0000993800000000 ] - [ -0.0000824300000000, -0.0077026200000000, -0.0002932100000000 ] - [ 0.0001047900000000, -0.0077024900000000, 0.0002756700000000 ] - [ 0.0003033200000000, -0.0077021200000000, -0.0005707800000000 ] - [ 0.0000887400000000, -0.0077023700000000, 0.0001190000000000 ] - [ 0.0002672700000000, 0.0078280400000000, 0.0024581800000000 ] - [ 0.0002260200000000, 0.0073976400000000, -0.0004362800000000 ] - [ -0.0000243700000000, 0.0077246800000000, 0.0000275700000000 ] - [ 0.0000233200000000, 0.0077333100000000, -0.0000185100000000 ] - [ 0.0002231600000000, 0.0080055700000000, -0.0004337900000000 ] - [ 0.0002620900000000, 0.0075739600000000, 0.0024653000000000 ] - [ 0.0000235400000000, 0.0076717100000000, -0.0000186000000000 ] - [ -0.0000244900000000, 0.0076802400000000, 0.0000270500000000 ] - [ 0.0026733200000000, -0.0079699700000000, -0.0001646100000000 ] - [ 0.0026950900000000, -0.0074491000000000, -0.0001613100000000 ] - [ 0.0000047800000000, -0.0077328500000000, 0.0000225300000000 ] - [ 0.0000042500000000, -0.0076722800000000, 0.0000225800000000 ] - [ -0.0000578800000000, -0.0078503100000000, 0.0009004600000000 ] - [ -0.0000576000000000, -0.0075530200000000, 0.0008926300000000 ] - [ 0.0000032200000000, -0.0077069800000000, -0.0000160300000000 ] - [ 0.0000031500000000, -0.0076981900000000, -0.0000160800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022529400000000, -0.0001455000000000, -0.0021122800000000 ] - [ 0.0021943900000000, 0.0000655900000000, -0.0018848800000000 ] - [ 0.0022325000000000, -0.0001068100000000, -0.0013100400000000 ] - [ 0.0020955400000000, 0.0002560200000000, -0.0019411400000000 ] - [ 0.0021323400000000, 0.0000365100000000, -0.0018398500000000 ] - [ 0.0022464600000000, 0.0000272400000000, -0.0018634300000000 ] - [ 0.0024943500000000, -0.0001040600000000, -0.0021460000000000 ] - [ 0.0020021200000000, 0.0002783700000000, -0.0019743600000000 ] - [ -0.0021323400000000, 0.0000365100000000, 0.0018398500000000 ] - [ -0.0022464600000000, 0.0000272400000000, 0.0018634300000000 ] - [ -0.0024943500000000, -0.0001040600000000, 0.0021460000000000 ] - [ -0.0020021200000000, 0.0002783700000000, 0.0019743600000000 ] - [ -0.0022529400000000, -0.0001455000000000, 0.0021122800000000 ] - [ -0.0021943900000000, 0.0000655900000000, 0.0018848800000000 ] - [ -0.0022325000000000, -0.0001068100000000, 0.0013100400000000 ] - [ -0.0020955400000000, 0.0002560200000000, 0.0019411400000000 ] - [ -0.0016573900000000, 0.0047387300000000, -0.0026366400000000 ] - [ 0.0021570600000000, -0.0000325700000000, -0.0019244100000000 ] - [ 0.0018826000000000, -0.0006476100000000, -0.0018037100000000 ] - [ 0.0021425500000000, -0.0002900000000000, -0.0018812400000000 ] - [ 0.0022160400000000, -0.0002875200000000, -0.0010983700000000 ] - [ 0.0021529100000000, -0.0000386000000000, -0.0019632500000000 ] - [ 0.0021336300000000, -0.0002547000000000, -0.0019845700000000 ] - [ 0.0021353500000000, -0.0002706100000000, -0.0018822900000000 ] - [ 0.0016573900000000, 0.0047387300000000, 0.0026366400000000 ] - [ -0.0021570600000000, -0.0000325700000000, 0.0019244100000000 ] - [ -0.0018826000000000, -0.0006476100000000, 0.0018037100000000 ] - [ -0.0021425500000000, -0.0002900000000000, 0.0018812400000000 ] - [ -0.0022160400000000, -0.0002875200000000, 0.0010983700000000 ] - [ -0.0021529100000000, -0.0000386000000000, 0.0019632500000000 ] - [ -0.0021336300000000, -0.0002547000000000, 0.0019845700000000 ] - [ -0.0021353500000000, -0.0002706100000000, 0.0018822900000000 ] - [ 0.0021372700000000, 0.0003769400000000, -0.0020999100000000 ] - [ 0.0018946000000000, 0.0005116200000000, -0.0021109100000000 ] - [ 0.0021816300000000, 0.0000159500000000, -0.0018985700000000 ] - [ 0.0022744800000000, -0.0000114600000000, -0.0018668900000000 ] - [ 0.0019805200000000, 0.0007937300000000, -0.0022891500000000 ] - [ 0.0022103300000000, 0.0001305400000000, -0.0022030100000000 ] - [ 0.0021854200000000, -0.0000255300000000, -0.0019272100000000 ] - [ 0.0022628900000000, 0.0000130800000000, -0.0018699500000000 ] - [ -0.0019805200000000, 0.0007937300000000, 0.0022891500000000 ] - [ -0.0022103300000000, 0.0001305400000000, 0.0022030100000000 ] - [ -0.0021854200000000, -0.0000255300000000, 0.0019272100000000 ] - [ -0.0022628900000000, 0.0000130800000000, 0.0018699500000000 ] - [ -0.0021372700000000, 0.0003769400000000, 0.0020999100000000 ] - [ -0.0018946000000000, 0.0005116200000000, 0.0021109100000000 ] - [ -0.0021816300000000, 0.0000159500000000, 0.0018985700000000 ] - [ -0.0022744800000000, -0.0000114600000000, 0.0018668900000000 ] - [ -0.0012873400000000, 0.0043678800000000, -0.0015668200000000 ] - [ 0.0017933700000000, -0.0001673600000000, -0.0017720000000000 ] - [ 0.0019477700000000, -0.0004960100000000, -0.0019586200000000 ] - [ 0.0022114900000000, -0.0002637900000000, -0.0018598000000000 ] - [ 0.0021320000000000, -0.0000913900000000, -0.0019056600000000 ] - [ 0.0022723200000000, 0.0000820800000000, -0.0023426700000000 ] - [ 0.0020746200000000, -0.0003451800000000, -0.0019512000000000 ] - [ 0.0021762300000000, -0.0002601800000000, -0.0018172900000000 ] - [ 0.0012873400000000, 0.0043678800000000, 0.0015668200000000 ] - [ -0.0017933700000000, -0.0001673600000000, 0.0017720000000000 ] - [ -0.0019477700000000, -0.0004960100000000, 0.0019586200000000 ] - [ -0.0022114900000000, -0.0002637900000000, 0.0018598000000000 ] - [ -0.0021320000000000, -0.0000913900000000, 0.0019056600000000 ] - [ -0.0022723200000000, 0.0000820800000000, 0.0023426700000000 ] - [ -0.0020746200000000, -0.0003451800000000, 0.0019512000000000 ] - [ -0.0021762300000000, -0.0002601800000000, 0.0018172900000000 ] - [ 0.0000000000000000, -0.0221630400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001290100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003871000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002029900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003474400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000930100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002864300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002031300000000, 0.0000000000000000 ] - [ -0.0005863200000000, 0.0003973700000000, 0.0009569200000000 ] - [ 0.0000180700000000, -0.0000133500000000, 0.0000135700000000 ] - [ 0.0000522500000000, 0.0002683900000000, -0.0000724200000000 ] - [ -0.0000091600000000, -0.0000929200000000, 0.0000000200000000 ] - [ 0.0005863200000000, 0.0003973700000000, -0.0009569200000000 ] - [ -0.0000180700000000, -0.0000133500000000, -0.0000135700000000 ] - [ -0.0000522500000000, 0.0002683900000000, 0.0000724200000000 ] - [ 0.0000091600000000, -0.0000929200000000, -0.0000000200000000 ] - [ 0.0001291800000000, 0.0002929100000000, 0.0000150400000000 ] - [ -0.0001291800000000, 0.0002929100000000, -0.0000150400000000 ] - [ -0.0003720400000000, 0.0002924700000000, -0.0001427000000000 ] - [ 0.0003720400000000, 0.0002924700000000, 0.0001427000000000 ] - [ 0.0000159100000000, 0.0001656800000000, 0.0000684100000000 ] - [ -0.0000159100000000, 0.0001656800000000, -0.0000684100000000 ] - [ -0.0001836700000000, 0.0001650600000000, -0.0001985600000000 ] - [ 0.0001836700000000, 0.0001650600000000, 0.0001985600000000 ] - [ -0.0007208100000000, -0.0003479100000000, -0.0008098800000000 ] - [ 0.0002059200000000, -0.0004159000000000, 0.0001359700000000 ] - [ 0.0000523000000000, 0.0000909200000000, 0.0000486500000000 ] - [ -0.0000340200000000, 0.0000591800000000, -0.0000193000000000 ] - [ -0.0002059200000000, -0.0004159000000000, -0.0001359700000000 ] - [ 0.0007208100000000, -0.0003479100000000, 0.0008098800000000 ] - [ 0.0000340200000000, 0.0000591800000000, 0.0000193000000000 ] - [ -0.0000523000000000, 0.0000909200000000, -0.0000486500000000 ] - [ 0.0006648200000000, 0.0079357900000000, -0.0031968400000000 ] - [ -0.0000523800000000, 0.0074549300000000, 0.0000458000000000 ] - [ -0.0001423800000000, 0.0079189900000000, 0.0002245400000000 ] - [ 0.0000277000000000, 0.0078414400000000, -0.0000065000000000 ] - [ -0.0006648200000000, 0.0079357900000000, 0.0031968400000000 ] - [ 0.0000523800000000, 0.0074549300000000, -0.0000458000000000 ] - [ 0.0001423800000000, 0.0079189900000000, -0.0002245400000000 ] - [ -0.0000277000000000, 0.0078414400000000, 0.0000065000000000 ] - [ 0.0000000000000000, -0.0069132900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0076093400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044625600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0076417800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0076835800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0076224200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074507300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077115800000000, 0.0000000000000000 ] - [ 0.0004399300000000, 0.0078129000000000, 0.0018828500000000 ] - [ 0.0001095300000000, 0.0078487900000000, 0.0001765100000000 ] - [ -0.0001052800000000, 0.0078913300000000, -0.0002087500000000 ] - [ 0.0000797200000000, 0.0078296500000000, 0.0000881600000000 ] - [ -0.0001095300000000, 0.0078487900000000, -0.0001765100000000 ] - [ -0.0004399300000000, 0.0078129000000000, -0.0018828500000000 ] - [ -0.0000797200000000, 0.0078296500000000, -0.0000881600000000 ] - [ 0.0001052800000000, 0.0078913300000000, 0.0002087500000000 ] - [ 0.0010139800000000, -0.0091009300000000, -0.0004091900000000 ] - [ -0.0010139800000000, -0.0091009300000000, 0.0004091900000000 ] - [ -0.0001229300000000, -0.0075146500000000, 0.0000682100000000 ] - [ 0.0001229300000000, -0.0075146500000000, -0.0000682100000000 ] - [ -0.0002205300000000, -0.0077109000000000, 0.0006548600000000 ] - [ 0.0002205300000000, -0.0077109000000000, -0.0006548600000000 ] - [ -0.0000467900000000, -0.0075505500000000, 0.0000094300000000 ] - [ 0.0000467900000000, -0.0075505500000000, -0.0000094300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020877100000000, 0.0004681300000000, -0.0016667200000000 ] - [ 0.0021470100000000, 0.0002546600000000, -0.0018970200000000 ] - [ 0.0021071000000000, 0.0004250600000000, -0.0024690600000000 ] - [ 0.0022455700000000, 0.0000647200000000, -0.0018408700000000 ] - [ 0.0022097700000000, 0.0002835600000000, -0.0019416000000000 ] - [ 0.0020956400000000, 0.0002920000000000, -0.0019184900000000 ] - [ 0.0018482700000000, 0.0004235300000000, -0.0016357700000000 ] - [ 0.0023388000000000, 0.0000429800000000, -0.0018078700000000 ] - [ -0.0022097700000000, 0.0002835600000000, 0.0019416000000000 ] - [ -0.0020956400000000, 0.0002920000000000, 0.0019184900000000 ] - [ -0.0018482700000000, 0.0004235300000000, 0.0016357700000000 ] - [ -0.0023388000000000, 0.0000429800000000, 0.0018078700000000 ] - [ -0.0020877100000000, 0.0004681300000000, 0.0016667200000000 ] - [ -0.0021470100000000, 0.0002546600000000, 0.0018970200000000 ] - [ -0.0021071000000000, 0.0004250600000000, 0.0024690600000000 ] - [ -0.0022455700000000, 0.0000647200000000, 0.0018408700000000 ] - [ 0.0058622100000000, -0.0048881000000000, -0.0011379200000000 ] - [ 0.0021843100000000, -0.0002878800000000, -0.0018572800000000 ] - [ 0.0024624700000000, 0.0003309000000000, -0.0019789800000000 ] - [ 0.0021986000000000, -0.0000313400000000, -0.0019006800000000 ] - [ 0.0021253300000000, -0.0000340600000000, -0.0026798700000000 ] - [ 0.0021880000000000, -0.0002814300000000, -0.0018191800000000 ] - [ 0.0022079500000000, -0.0000660900000000, -0.0017967200000000 ] - [ 0.0022054000000000, -0.0000508900000000, -0.0018999600000000 ] - [ -0.0058622100000000, -0.0048881000000000, 0.0011379200000000 ] - [ -0.0021843100000000, -0.0002878800000000, 0.0018572800000000 ] - [ -0.0024624700000000, 0.0003309000000000, 0.0019789800000000 ] - [ -0.0021986000000000, -0.0000313400000000, 0.0019006800000000 ] - [ -0.0021253300000000, -0.0000340600000000, 0.0026798700000000 ] - [ -0.0021880000000000, -0.0002814300000000, 0.0018191800000000 ] - [ -0.0022079500000000, -0.0000660900000000, 0.0017967200000000 ] - [ -0.0022054000000000, -0.0000508900000000, 0.0018999600000000 ] - [ 0.0022032400000000, -0.0000553400000000, -0.0016822900000000 ] - [ 0.0024460900000000, -0.0001895800000000, -0.0016701900000000 ] - [ 0.0021593100000000, 0.0003046700000000, -0.0018831600000000 ] - [ 0.0020670500000000, 0.0003319900000000, -0.0019153000000000 ] - [ 0.0023605300000000, -0.0004676400000000, -0.0014971300000000 ] - [ 0.0021314200000000, 0.0001896000000000, -0.0015807600000000 ] - [ 0.0021557400000000, 0.0003453100000000, -0.0018550900000000 ] - [ 0.0020792100000000, 0.0003070700000000, -0.0019114800000000 ] - [ -0.0023605300000000, -0.0004676400000000, 0.0014971300000000 ] - [ -0.0021314200000000, 0.0001896000000000, 0.0015807600000000 ] - [ -0.0021557400000000, 0.0003453100000000, 0.0018550900000000 ] - [ -0.0020792100000000, 0.0003070700000000, 0.0019114800000000 ] - [ -0.0022032400000000, -0.0000553400000000, 0.0016822900000000 ] - [ -0.0024460900000000, -0.0001895800000000, 0.0016701900000000 ] - [ -0.0021593100000000, 0.0003046700000000, 0.0018831600000000 ] - [ -0.0020670500000000, 0.0003319900000000, 0.0019153000000000 ] - [ 0.0057582300000000, -0.0047543100000000, -0.0022038500000000 ] - [ 0.0025448200000000, -0.0001522300000000, -0.0020093300000000 ] - [ 0.0023934800000000, 0.0001757000000000, -0.0018235000000000 ] - [ 0.0021304700000000, -0.0000562500000000, -0.0019220900000000 ] - [ 0.0022085500000000, -0.0002290900000000, -0.0018758400000000 ] - [ 0.0020671000000000, -0.0004044000000000, -0.0014425400000000 ] - [ 0.0022668200000000, 0.0000246100000000, -0.0018302200000000 ] - [ 0.0021648900000000, -0.0000614700000000, -0.0019643400000000 ] - [ -0.0057582300000000, -0.0047543100000000, 0.0022038500000000 ] - [ -0.0025448200000000, -0.0001522300000000, 0.0020093300000000 ] - [ -0.0023934800000000, 0.0001757000000000, 0.0018235000000000 ] - [ -0.0021304700000000, -0.0000562500000000, 0.0019220900000000 ] - [ -0.0022085500000000, -0.0002290900000000, 0.0018758400000000 ] - [ -0.0020671000000000, -0.0004044000000000, 0.0014425400000000 ] - [ -0.0022668200000000, 0.0000246100000000, 0.0018302200000000 ] - [ -0.0021648900000000, -0.0000614700000000, 0.0019643400000000 ] - [ 0.0000000000000000, 0.0220953800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003161900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001992000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000141100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005342600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002803600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000978900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000144200000000, 0.0000000000000000 ] - [ 0.0005906500000000, -0.0005844900000000, -0.0009626500000000 ] - [ -0.0000180100000000, -0.0001742800000000, -0.0000133400000000 ] - [ -0.0000517400000000, -0.0004558600000000, 0.0000727300000000 ] - [ 0.0000092600000000, -0.0000953400000000, -0.0000000900000000 ] - [ -0.0005906500000000, -0.0005844900000000, 0.0009626500000000 ] - [ 0.0000180100000000, -0.0001742800000000, 0.0000133400000000 ] - [ 0.0000517400000000, -0.0004558600000000, -0.0000727300000000 ] - [ -0.0000092600000000, -0.0000953400000000, 0.0000000900000000 ] - [ -0.0001298000000000, -0.0001030500000000, -0.0000155800000000 ] - [ 0.0001298000000000, -0.0001030500000000, 0.0000155800000000 ] - [ 0.0003717200000000, -0.0001033000000000, 0.0001422900000000 ] - [ -0.0003717200000000, -0.0001033000000000, -0.0001422900000000 ] - [ -0.0000164000000000, 0.0000235600000000, -0.0000690300000000 ] - [ 0.0000164000000000, 0.0000235600000000, 0.0000690300000000 ] - [ 0.0001828300000000, 0.0000230500000000, 0.0001974500000000 ] - [ -0.0001828300000000, 0.0000230500000000, -0.0001974500000000 ] - [ 0.0007184900000000, 0.0001560500000000, 0.0008076900000000 ] - [ -0.0002050500000000, 0.0002262600000000, -0.0001355800000000 ] - [ -0.0000530400000000, -0.0002788700000000, -0.0000492300000000 ] - [ 0.0000343900000000, -0.0002469700000000, 0.0000196600000000 ] - [ 0.0002050500000000, 0.0002262600000000, 0.0001355800000000 ] - [ -0.0007184900000000, 0.0001560500000000, -0.0008076900000000 ] - [ -0.0000343900000000, -0.0002469700000000, -0.0000196600000000 ] - [ 0.0000530400000000, -0.0002788700000000, 0.0000492300000000 ] - [ -0.0006581800000000, 0.0074702000000000, 0.0031805400000000 ] - [ 0.0000522800000000, 0.0079499400000000, -0.0000457800000000 ] - [ 0.0001442600000000, 0.0074862100000000, -0.0002266700000000 ] - [ -0.0000275300000000, 0.0075650900000000, 0.0000066000000000 ] - [ 0.0006581800000000, 0.0074702000000000, -0.0031805400000000 ] - [ -0.0000522800000000, 0.0079499400000000, 0.0000457800000000 ] - [ -0.0001442600000000, 0.0074862100000000, 0.0002266700000000 ] - [ 0.0000275300000000, 0.0075650900000000, -0.0000066000000000 ] - [ 0.0000000000000000, -0.0084999000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077956800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0108945900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077644300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077215600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077823500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0079538100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0076944300000000, 0.0000000000000000 ] - [ -0.0004396600000000, 0.0075956400000000, -0.0018852100000000 ] - [ -0.0001084300000000, 0.0075575800000000, -0.0001757000000000 ] - [ 0.0001047200000000, 0.0075148700000000, 0.0002088100000000 ] - [ -0.0000791800000000, 0.0075762400000000, -0.0000881000000000 ] - [ 0.0001084300000000, 0.0075575800000000, 0.0001757000000000 ] - [ 0.0004396600000000, 0.0075956400000000, 0.0018852100000000 ] - [ 0.0000791800000000, 0.0075762400000000, 0.0000881000000000 ] - [ -0.0001047200000000, 0.0075148700000000, -0.0002088100000000 ] - [ -0.0010069000000000, -0.0063122100000000, 0.0004081000000000 ] - [ 0.0010069000000000, -0.0063122100000000, -0.0004081000000000 ] - [ 0.0001225800000000, -0.0078911200000000, -0.0000680300000000 ] - [ -0.0001225800000000, -0.0078911200000000, 0.0000680300000000 ] - [ 0.0002197700000000, -0.0076956200000000, -0.0006458900000000 ] - [ -0.0002197700000000, -0.0076956200000000, 0.0006458900000000 ] - [ 0.0000465200000000, -0.0078548900000000, -0.0000098300000000 ] - [ -0.0000465200000000, -0.0078548900000000, 0.0000098300000000 ]- atom: 65 displacement: [ -0.0052513036271976, 0.0000000000000000, 0.0085102179886876 ] forces: - [ 0.0021918100000000, 0.0000266500000000, -0.0017808600000000 ] - [ 0.0021611900000000, 0.0001848400000000, -0.0019003600000000 ] - [ 0.0019064200000000, 0.0007932400000000, -0.0016390500000000 ] - [ 0.0021581800000000, 0.0001658400000000, -0.0019104000000000 ] - [ 0.0022145100000000, 0.0002300400000000, -0.0019798500000000 ] - [ 0.0021028300000000, 0.0001908100000000, -0.0018820100000000 ] - [ 0.0026981000000000, -0.0005224500000000, -0.0023007200000000 ] - [ 0.0021319900000000, 0.0001488000000000, -0.0018806500000000 ] - [ -0.0021196100000000, 0.0000917000000000, 0.0018048400000000 ] - [ -0.0022308300000000, 0.0001302200000000, 0.0019027600000000 ] - [ -0.0016403300000000, 0.0008366400000000, 0.0014841200000000 ] - [ -0.0022019500000000, 0.0001723600000000, 0.0019040700000000 ] - [ -0.0021421500000000, 0.0002950900000000, 0.0020046400000000 ] - [ -0.0021723500000000, 0.0001363000000000, 0.0018846200000000 ] - [ -0.0024299300000000, -0.0004762100000000, 0.0021481900000000 ] - [ -0.0021750700000000, 0.0001556200000000, 0.0018747000000000 ] - [ -0.0004169800000000, 0.0017874100000000, -0.0018130200000000 ] - [ 0.0022479000000000, -0.0001154700000000, -0.0018949700000000 ] - [ 0.0021282200000000, -0.0001680100000000, -0.0018529300000000 ] - [ 0.0021968000000000, -0.0001644300000000, -0.0018772800000000 ] - [ 0.0023292500000000, 0.0001800800000000, -0.0025442600000000 ] - [ 0.0020860300000000, -0.0002115100000000, -0.0019421000000000 ] - [ 0.0021879400000000, -0.0001482100000000, -0.0019304600000000 ] - [ 0.0021415500000000, -0.0001632600000000, -0.0019140800000000 ] - [ -0.0047402000000000, -0.0020763400000000, 0.0019830200000000 ] - [ -0.0020859800000000, -0.0002054100000000, 0.0018899900000000 ] - [ -0.0022050100000000, -0.0001542000000000, 0.0019315900000000 ] - [ -0.0021371300000000, -0.0001569900000000, 0.0019076900000000 ] - [ -0.0020054400000000, -0.0005027200000000, 0.0012366800000000 ] - [ -0.0022475500000000, -0.0001095600000000, 0.0018428000000000 ] - [ -0.0021457000000000, -0.0001730700000000, 0.0018545900000000 ] - [ -0.0021919700000000, -0.0001581800000000, 0.0018708100000000 ] - [ 0.0026375700000000, -0.0001214800000000, -0.0018558600000000 ] - [ 0.0017631000000000, 0.0003962800000000, -0.0013993500000000 ] - [ 0.0021791200000000, 0.0001880800000000, -0.0018725000000000 ] - [ 0.0021341800000000, 0.0001971000000000, -0.0018637200000000 ] - [ 0.0020984500000000, -0.0000720600000000, 0.0018707500000000 ] - [ 0.0023443300000000, -0.0001443300000000, -0.0024845900000000 ] - [ 0.0021519300000000, 0.0001378000000000, -0.0019133400000000 ] - [ 0.0022060500000000, 0.0001106800000000, -0.0019225900000000 ] - [ -0.0022798100000000, 0.0003644500000000, 0.0055082700000000 ] - [ -0.0019919100000000, 0.0004626500000000, 0.0013050400000000 ] - [ -0.0021815600000000, 0.0001833600000000, 0.0018714500000000 ] - [ -0.0021281200000000, 0.0002099900000000, 0.0018622300000000 ] - [ -0.0016902600000000, 0.0004465100000000, 0.0019311400000000 ] - [ -0.0025724900000000, -0.0000753600000000, 0.0023857600000000 ] - [ -0.0021546000000000, 0.0001327000000000, 0.0019126900000000 ] - [ -0.0021997700000000, 0.0001238100000000, 0.0019211900000000 ] - [ 0.0000556300000000, 0.0018036500000000, -0.0012057600000000 ] - [ 0.0024687600000000, 0.0000956800000000, -0.0020709100000000 ] - [ 0.0021551700000000, -0.0001444800000000, -0.0018372400000000 ] - [ 0.0021710700000000, -0.0001876400000000, -0.0018759200000000 ] - [ 0.0022844900000000, -0.0000201700000000, -0.0023295900000000 ] - [ 0.0018346700000000, -0.0005383600000000, -0.0018185700000000 ] - [ 0.0021665300000000, -0.0001733200000000, -0.0019449800000000 ] - [ 0.0021613800000000, -0.0001461300000000, -0.0019024500000000 ] - [ -0.0042984200000000, -0.0021451200000000, 0.0025592200000000 ] - [ -0.0018635400000000, -0.0004168500000000, 0.0017132600000000 ] - [ -0.0021790800000000, -0.0001761500000000, 0.0019476100000000 ] - [ -0.0021626300000000, -0.0001336300000000, 0.0019085800000000 ] - [ -0.0020479900000000, -0.0003013500000000, 0.0014556500000000 ] - [ -0.0024962200000000, 0.0002157300000000, 0.0019685500000000 ] - [ -0.0021669100000000, -0.0001482100000000, 0.0018400200000000 ] - [ -0.0021726200000000, -0.0001749500000000, 0.0018824300000000 ] - [ 0.0093136900000000, 0.0001222000000000, -0.0115894500000000 ] - [ -0.0000267400000000, 0.0000898900000000, 0.0000384300000000 ] - [ 0.0000088000000000, 0.0000902400000000, -0.0000201100000000 ] - [ -0.0000039200000000, 0.0000902400000000, -0.0000129600000000 ] - [ -0.0001653700000000, 0.0000896900000000, 0.0001788700000000 ] - [ 0.0000871300000000, 0.0000899900000000, 0.0000524900000000 ] - [ -0.0000057600000000, 0.0000903000000000, 0.0000218300000000 ] - [ 0.0000025000000000, 0.0000902700000000, 0.0000098900000000 ] - [ -0.0006468000000000, 0.0010295300000000, 0.0008865200000000 ] - [ 0.0000419300000000, -0.0000881000000000, 0.0000072500000000 ] - [ 0.0000054800000000, -0.0001788900000000, -0.0000048800000000 ] - [ -0.0000022700000000, -0.0000854000000000, -0.0000010200000000 ] - [ -0.0006510500000000, -0.0012221900000000, 0.0008935200000000 ] - [ 0.0000420500000000, -0.0000921700000000, 0.0000072700000000 ] - [ 0.0000058200000000, -0.0000008200000000, -0.0000054400000000 ] - [ -0.0000023300000000, -0.0000950900000000, -0.0000011000000000 ] - [ -0.0000409300000000, 0.0000165300000000, -0.0000405800000000 ] - [ -0.0000411300000000, 0.0001645000000000, -0.0000404000000000 ] - [ -0.0000657500000000, 0.0001449100000000, -0.0000562900000000 ] - [ -0.0000664200000000, 0.0000350100000000, -0.0000556200000000 ] - [ 0.0000003100000000, 0.0001626500000000, 0.0000475800000000 ] - [ 0.0000004400000000, 0.0000180300000000, 0.0000479300000000 ] - [ 0.0000336200000000, 0.0000401000000000, 0.0000681500000000 ] - [ 0.0000342600000000, 0.0001403200000000, 0.0000687200000000 ] - [ 0.0004880700000000, -0.0004013400000000, 0.0000265500000000 ] - [ -0.0000931900000000, -0.0000828400000000, 0.0000887800000000 ] - [ 0.0000112500000000, -0.0000761400000000, -0.0000050200000000 ] - [ -0.0000098800000000, -0.0000886600000000, 0.0000040700000000 ] - [ -0.0000942300000000, -0.0000981500000000, 0.0000880700000000 ] - [ 0.0004874600000000, 0.0002194500000000, 0.0000227000000000 ] - [ -0.0000099400000000, -0.0000915200000000, 0.0000040100000000 ] - [ 0.0000112900000000, -0.0001040700000000, -0.0000051200000000 ] - [ -0.0006533800000000, 0.0059899800000000, 0.0016603400000000 ] - [ 0.0000248900000000, 0.0077011600000000, 0.0000308100000000 ] - [ -0.0000369400000000, 0.0077259500000000, 0.0000145400000000 ] - [ 0.0000263000000000, 0.0076768300000000, -0.0000080000000000 ] - [ -0.0006577100000000, 0.0094352800000000, 0.0016621800000000 ] - [ 0.0000245800000000, 0.0077037000000000, 0.0000308500000000 ] - [ -0.0000368500000000, 0.0076790300000000, 0.0000138600000000 ] - [ 0.0000262200000000, 0.0077284500000000, -0.0000081300000000 ] - [ 0.0001219700000000, -0.0077016600000000, -0.0003239400000000 ] - [ -0.0000316900000000, -0.0077023100000000, -0.0000102300000000 ] - [ 0.0015546900000000, -0.0077081300000000, -0.0012904500000000 ] - [ -0.0000779100000000, -0.0077026100000000, 0.0000252700000000 ] - [ -0.0000549500000000, -0.0077025100000000, 0.0002062600000000 ] - [ 0.0000504100000000, -0.0077022700000000, 0.0000560900000000 ] - [ -0.0005146400000000, -0.0077015200000000, 0.0008375200000000 ] - [ 0.0001006600000000, -0.0077024300000000, -0.0000267000000000 ] - [ 0.0015959900000000, 0.0085657400000000, -0.0016556800000000 ] - [ -0.0004761900000000, 0.0078103600000000, 0.0005229600000000 ] - [ 0.0000465600000000, 0.0076477700000000, -0.0000371400000000 ] - [ -0.0000392000000000, 0.0076306100000000, 0.0000320300000000 ] - [ -0.0004813100000000, 0.0075937900000000, 0.0005222100000000 ] - [ 0.0015973400000000, 0.0068395300000000, -0.0016580200000000 ] - [ -0.0000395100000000, 0.0077752100000000, 0.0000312700000000 ] - [ 0.0000468500000000, 0.0077574000000000, -0.0000376200000000 ] - [ -0.0013381100000000, -0.0077713400000000, -0.0005730500000000 ] - [ -0.0013381100000000, -0.0076389200000000, -0.0005656900000000 ] - [ 0.0000025500000000, -0.0076845500000000, -0.0000684600000000 ] - [ 0.0000021200000000, -0.0077200700000000, -0.0000681700000000 ] - [ 0.0000449500000000, -0.0074494200000000, 0.0019062800000000 ] - [ 0.0000467100000000, -0.0079551300000000, 0.0018929500000000 ] - [ -0.0000030600000000, -0.0077073900000000, 0.0000664500000000 ] - [ -0.0000026700000000, -0.0076974400000000, 0.0000661700000000 ]- atom: 97 displacement: [ 0.0099999673982273, 0.0000000000000000, 0.0000255349640940 ] forces: - [ 0.0023238800000000, 0.0000519200000000, -0.0018415200000000 ] - [ 0.0020133000000000, 0.0002278800000000, -0.0019107900000000 ] - [ 0.0482499800000000, -0.0350740800000000, 0.0016698300000000 ] - [ 0.0015451300000000, 0.0003326900000000, -0.0019727100000000 ] - [ 0.0022088200000000, 0.0001402400000000, -0.0018265000000000 ] - [ 0.0021208000000000, 0.0001867000000000, -0.0019553600000000 ] - [ 0.0008435100000000, 0.0030149300000000, 0.0032677500000000 ] - [ 0.0021585100000000, 0.0002091400000000, -0.0022272200000000 ] - [ -0.0020100800000000, 0.0002698100000000, 0.0019433900000000 ] - [ -0.0023199700000000, 0.0000940400000000, 0.0018736800000000 ] - [ 0.0454806000000000, 0.0369726100000000, 0.0052968800000000 ] - [ -0.0027872800000000, -0.0000129000000000, 0.0018127600000000 ] - [ -0.0021249800000000, 0.0001808400000000, 0.0019582800000000 ] - [ -0.0022128800000000, 0.0001343500000000, 0.0018299800000000 ] - [ -0.0034963400000000, -0.0026792800000000, 0.0070361800000000 ] - [ -0.0021765300000000, 0.0001120300000000, 0.0015568300000000 ] - [ 0.0011891600000000, -0.0009322200000000, 0.0017113800000000 ] - [ 0.0016627600000000, -0.0001771200000000, -0.0027078700000000 ] - [ 0.0022370300000000, -0.0001070600000000, -0.0018040800000000 ] - [ 0.0021101500000000, -0.0001971600000000, -0.0019772000000000 ] - [ 0.0082277600000000, 0.0013193400000000, -0.0004746600000000 ] - [ 0.0020144600000000, -0.0002892700000000, -0.0017747300000000 ] - [ 0.0022505600000000, -0.0001264200000000, -0.0018649000000000 ] - [ 0.0020678300000000, -0.0002022400000000, -0.0019332900000000 ] - [ 0.0038743700000000, -0.0016409100000000, 0.0032847800000000 ] - [ -0.0023194100000000, -0.0000316100000000, 0.0020097200000000 ] - [ -0.0020830500000000, -0.0001949400000000, 0.0019199100000000 ] - [ -0.0022660300000000, -0.0001186100000000, 0.0018520700000000 ] - [ -0.0031394800000000, 0.0006080600000000, 0.0055070500000000 ] - [ -0.0026676800000000, -0.0001453300000000, 0.0010797400000000 ] - [ -0.0020968300000000, -0.0002141400000000, 0.0019807500000000 ] - [ -0.0022231800000000, -0.0001242200000000, 0.0018075500000000 ] - [ 0.0009556000000000, 0.0018423800000000, -0.0026134500000000 ] - [ 0.0017741600000000, 0.0001906200000000, -0.0017519400000000 ] - [ 0.0022820100000000, -0.0005130300000000, -0.0021687400000000 ] - [ 0.0015340800000000, 0.0008822000000000, -0.0017161100000000 ] - [ 0.0021954100000000, 0.0001355100000000, -0.0016988900000000 ] - [ 0.0022115300000000, 0.0000509700000000, -0.0023304200000000 ] - [ 0.0021759300000000, 0.0002578800000000, -0.0017025100000000 ] - [ 0.0021998800000000, 0.0000559100000000, -0.0021193600000000 ] - [ -0.0033868000000000, -0.0015149100000000, 0.0011793600000000 ] - [ -0.0025609300000000, 0.0001335400000000, 0.0020332800000000 ] - [ -0.0020460700000000, 0.0008355400000000, 0.0016156600000000 ] - [ -0.0027934200000000, -0.0005526600000000, 0.0020656100000000 ] - [ -0.0021371800000000, 0.0001852300000000, 0.0020840500000000 ] - [ -0.0021215500000000, 0.0002699100000000, 0.0014533100000000 ] - [ -0.0021578100000000, 0.0000621700000000, 0.0020841500000000 ] - [ -0.0021348900000000, 0.0002645900000000, 0.0016652100000000 ] - [ 0.0024099400000000, -0.0000232800000000, -0.0020067500000000 ] - [ 0.0020587600000000, -0.0002422400000000, -0.0019313000000000 ] - [ 0.0025760600000000, -0.0002110500000000, -0.0021844000000000 ] - [ 0.0019989000000000, -0.0003055200000000, -0.0018536900000000 ] - [ 0.0021600000000000, -0.0001705000000000, -0.0016819000000000 ] - [ 0.0020235400000000, -0.0002804700000000, -0.0021033900000000 ] - [ 0.0019081800000000, -0.0004034600000000, -0.0016865300000000 ] - [ 0.0021698800000000, 0.0002075400000000, -0.0021800800000000 ] - [ -0.0021742700000000, -0.0001503700000000, 0.0021022600000000 ] - [ -0.0023100000000000, -0.0000410200000000, 0.0016801000000000 ] - [ -0.0024246100000000, 0.0000812100000000, 0.0021003000000000 ] - [ -0.0021657100000000, -0.0005280600000000, 0.0016073100000000 ] - [ -0.0019253100000000, -0.0002990600000000, 0.0017787300000000 ] - [ -0.0022746800000000, -0.0000787000000000, 0.0018537800000000 ] - [ -0.0017555600000000, -0.0001131200000000, 0.0016039400000000 ] - [ -0.0023344200000000, -0.0000171600000000, 0.0019296900000000 ] - [ -0.0001713200000000, 0.0007444100000000, -0.0008726900000000 ] - [ 0.0001645900000000, 0.0000375000000000, 0.0001309200000000 ] - [ -0.0001381200000000, -0.0000527400000000, -0.0001278500000000 ] - [ 0.0001264500000000, 0.0001183900000000, 0.0001079800000000 ] - [ -0.0001795100000000, -0.0005617800000000, -0.0008730600000000 ] - [ 0.0001643300000000, 0.0001422700000000, 0.0001306600000000 ] - [ -0.0001376900000000, 0.0002334800000000, -0.0001278000000000 ] - [ 0.0001265000000000, 0.0000621700000000, 0.0001087800000000 ] - [ -0.0003798900000000, -0.0000908800000000, -0.0000920500000000 ] - [ 0.0001840600000000, -0.0000904700000000, 0.0000755900000000 ] - [ -0.0027740600000000, -0.0000899400000000, 0.0001108500000000 ] - [ 0.0002099500000000, -0.0000895900000000, 0.0000377700000000 ] - [ -0.0000809600000000, -0.0000902400000000, -0.0001151500000000 ] - [ 0.0001053900000000, -0.0000903000000000, 0.0001244800000000 ] - [ 0.0003041100000000, -0.0000886100000000, -0.0004156800000000 ] - [ 0.0000886500000000, -0.0000900600000000, 0.0001730500000000 ] - [ 0.0000244600000000, 0.0001688400000000, -0.0000318900000000 ] - [ -0.0000233400000000, -0.0000155000000000, 0.0000399300000000 ] - [ 0.0002237300000000, 0.0002006300000000, -0.0004241500000000 ] - [ 0.0002652500000000, 0.0005369600000000, 0.0020402600000000 ] - [ -0.0000235700000000, 0.0001957300000000, 0.0000397800000000 ] - [ 0.0000244600000000, 0.0000114500000000, -0.0000314500000000 ] - [ 0.0002645000000000, -0.0003535600000000, 0.0020312900000000 ] - [ 0.0002244200000000, -0.0000183900000000, -0.0004211500000000 ] - [ 0.0026720100000000, 0.0009181000000000, 0.0000822400000000 ] - [ 0.0026964900000000, -0.0011007800000000, 0.0000824800000000 ] - [ 0.0000052000000000, -0.0002124800000000, 0.0000048100000000 ] - [ 0.0000059900000000, 0.0000318900000000, 0.0000047800000000 ] - [ -0.0000565700000000, -0.0003084500000000, 0.0000288100000000 ] - [ -0.0000572800000000, 0.0001281100000000, 0.0000227700000000 ] - [ 0.0000030600000000, -0.0001360900000000, -0.0000022600000000 ] - [ 0.0000031000000000, -0.0000441000000000, -0.0000020700000000 ] - [ -0.1067134700000000, 0.0061348400000000, 0.0103738300000000 ] - [ 0.0006198200000000, 0.0077021400000000, -0.0003681400000000 ] - [ -0.0002296500000000, 0.0077023300000000, 0.0000055000000000 ] - [ 0.0001962600000000, 0.0077013400000000, 0.0000070100000000 ] - [ 0.0039786400000000, 0.0076982700000000, -0.0034891500000000 ] - [ -0.0000945000000000, 0.0077030500000000, 0.0011305500000000 ] - [ -0.0000496600000000, 0.0077025200000000, -0.0001291600000000 ] - [ 0.0000563600000000, 0.0077026600000000, 0.0001175800000000 ] - [ -0.0001093700000000, -0.0076985400000000, -0.0000906700000000 ] - [ 0.0001016700000000, -0.0077108700000000, 0.0000695700000000 ] - [ -0.0008423000000000, -0.0047865900000000, -0.0171603100000000 ] - [ 0.0003486200000000, -0.0075800900000000, 0.0002223400000000 ] - [ -0.0001092500000000, -0.0077065500000000, -0.0000909500000000 ] - [ 0.0001013100000000, -0.0076943300000000, 0.0000708700000000 ] - [ -0.0008839400000000, -0.0106334600000000, -0.0172284500000000 ] - [ 0.0003470600000000, -0.0078231300000000, 0.0002222700000000 ] - [ 0.0012742600000000, 0.0080308800000000, -0.0002780800000000 ] - [ 0.0012821200000000, 0.0073641700000000, -0.0002758900000000 ] - [ 0.0012779600000000, 0.0059845600000000, 0.0001448600000000 ] - [ 0.0012764400000000, 0.0094079600000000, 0.0001428300000000 ] - [ -0.0000969800000000, 0.0077913700000000, 0.0000691700000000 ] - [ -0.0000972500000000, 0.0076141100000000, 0.0000692000000000 ] - [ -0.0000970700000000, 0.0079694800000000, 0.0000581000000000 ] - [ -0.0000965600000000, 0.0074365600000000, 0.0000613700000000 ] - [ 0.0001507000000000, -0.0076884000000000, -0.0004435500000000 ] - [ -0.0001809800000000, -0.0078804900000000, 0.0015034000000000 ] - [ 0.0003487600000000, -0.0077795800000000, -0.0005276300000000 ] - [ -0.0002639000000000, -0.0074734900000000, 0.0006042600000000 ] - [ -0.0001765800000000, -0.0075202700000000, 0.0014965000000000 ] - [ 0.0001505400000000, -0.0077178000000000, -0.0004455200000000 ] - [ -0.0002670400000000, -0.0079314900000000, 0.0006054100000000 ] - [ 0.0003480600000000, -0.0076248200000000, -0.0005220500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022480000000000, -0.0000695400000000, -0.0018397500000000 ] - [ 0.0022324800000000, 0.0000145400000000, -0.0018805900000000 ] - [ -0.0382469000000000, 0.0469604100000000, -0.0024044300000000 ] - [ 0.0018821500000000, 0.0003608600000000, -0.0020292900000000 ] - [ 0.0022142600000000, 0.0000418800000000, -0.0019196500000000 ] - [ 0.0022076300000000, 0.0000212200000000, -0.0019085900000000 ] - [ 0.0025222900000000, 0.0012244100000000, 0.0002209000000000 ] - [ 0.0022093100000000, 0.0002460900000000, -0.0017967000000000 ] - [ -0.0022480000000000, -0.0000695400000000, 0.0018397500000000 ] - [ -0.0022324800000000, 0.0000145400000000, 0.0018805900000000 ] - [ 0.0382469000000000, 0.0469604100000000, 0.0024044300000000 ] - [ -0.0018821500000000, 0.0003608600000000, 0.0020292900000000 ] - [ -0.0022142600000000, 0.0000418800000000, 0.0019196500000000 ] - [ -0.0022076300000000, 0.0000212200000000, 0.0019085900000000 ] - [ -0.0025222900000000, 0.0012244100000000, -0.0002209000000000 ] - [ -0.0022093100000000, 0.0002460900000000, 0.0017967000000000 ] - [ 0.0016491800000000, 0.0000049400000000, -0.0024009300000000 ] - [ 0.0020205100000000, -0.0000258200000000, -0.0021553300000000 ] - [ 0.0021266900000000, -0.0003087500000000, -0.0018703000000000 ] - [ 0.0021109200000000, -0.0003119500000000, -0.0018687600000000 ] - [ 0.0035668600000000, 0.0086415500000000, -0.0087448200000000 ] - [ 0.0021941400000000, -0.0000021600000000, -0.0018748000000000 ] - [ 0.0021239600000000, -0.0003135200000000, -0.0019136300000000 ] - [ 0.0021003900000000, -0.0002883300000000, -0.0019411400000000 ] - [ -0.0035668600000000, 0.0086415500000000, 0.0087448200000000 ] - [ -0.0021941400000000, -0.0000021600000000, 0.0018748000000000 ] - [ -0.0021239600000000, -0.0003135200000000, 0.0019136300000000 ] - [ -0.0021003900000000, -0.0002883300000000, 0.0019411400000000 ] - [ -0.0016491800000000, 0.0000049400000000, 0.0024009300000000 ] - [ -0.0020205100000000, -0.0000258200000000, 0.0021553300000000 ] - [ -0.0021266900000000, -0.0003087500000000, 0.0018703000000000 ] - [ -0.0021109200000000, -0.0003119500000000, 0.0018687600000000 ] - [ 0.0046779500000000, -0.0013035800000000, -0.0013723400000000 ] - [ 0.0017102800000000, 0.0010241500000000, -0.0017117800000000 ] - [ 0.0019936200000000, 0.0000122900000000, -0.0019189600000000 ] - [ 0.0021304200000000, 0.0002167400000000, -0.0017816400000000 ] - [ 0.0020109300000000, 0.0003775400000000, -0.0019765500000000 ] - [ 0.0022650900000000, 0.0000291500000000, -0.0023852700000000 ] - [ 0.0021789100000000, 0.0000217700000000, -0.0019839000000000 ] - [ 0.0023054600000000, 0.0000285500000000, -0.0018014600000000 ] - [ -0.0046779500000000, -0.0013035800000000, 0.0013723400000000 ] - [ -0.0017102800000000, 0.0010241500000000, 0.0017117800000000 ] - [ -0.0019936200000000, 0.0000122900000000, 0.0019189600000000 ] - [ -0.0021304200000000, 0.0002167400000000, 0.0017816400000000 ] - [ -0.0020109300000000, 0.0003775400000000, 0.0019765500000000 ] - [ -0.0022650900000000, 0.0000291500000000, 0.0023852700000000 ] - [ -0.0021789100000000, 0.0000217700000000, 0.0019839000000000 ] - [ -0.0023054600000000, 0.0000285500000000, 0.0018014600000000 ] - [ 0.0022447900000000, -0.0003703100000000, -0.0013792800000000 ] - [ 0.0022437000000000, -0.0000254300000000, -0.0020078600000000 ] - [ 0.0019294000000000, -0.0005097300000000, -0.0022846400000000 ] - [ 0.0021847700000000, -0.0002825200000000, -0.0017853400000000 ] - [ 0.0022623600000000, 0.0000763000000000, -0.0022493900000000 ] - [ 0.0019741200000000, -0.0002651400000000, -0.0021491800000000 ] - [ 0.0019649600000000, -0.0004118900000000, -0.0019644800000000 ] - [ 0.0022945900000000, -0.0002088900000000, -0.0019179400000000 ] - [ -0.0022623600000000, 0.0000763000000000, 0.0022493900000000 ] - [ -0.0019741200000000, -0.0002651400000000, 0.0021491800000000 ] - [ -0.0019649600000000, -0.0004118900000000, 0.0019644800000000 ] - [ -0.0022945900000000, -0.0002088900000000, 0.0019179400000000 ] - [ -0.0022447900000000, -0.0003703100000000, 0.0013792800000000 ] - [ -0.0022437000000000, -0.0000254300000000, 0.0020078600000000 ] - [ -0.0019294000000000, -0.0005097300000000, 0.0022846400000000 ] - [ -0.0021847700000000, -0.0002825200000000, 0.0017853400000000 ] - [ 0.0008811400000000, 0.0003357600000000, -0.0014728600000000 ] - [ -0.0000238500000000, -0.0001493500000000, -0.0000153800000000 ] - [ -0.0000291300000000, 0.0003130100000000, 0.0000098200000000 ] - [ 0.0000059100000000, 0.0002356200000000, -0.0000277700000000 ] - [ -0.0008811400000000, 0.0003357600000000, 0.0014728600000000 ] - [ 0.0000238500000000, -0.0001493500000000, 0.0000153800000000 ] - [ 0.0000291300000000, 0.0003130100000000, -0.0000098200000000 ] - [ -0.0000059100000000, 0.0002356200000000, 0.0000277700000000 ] - [ 0.0000000000000000, 0.0006889200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000060900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031450200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000357900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000792000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000191200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001532200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001055600000000, 0.0000000000000000 ] - [ 0.0000295400000000, 0.0002238800000000, -0.0000658500000000 ] - [ 0.0000223300000000, 0.0002852400000000, -0.0000510600000000 ] - [ -0.0003027500000000, 0.0002447700000000, -0.0000598000000000 ] - [ 0.0001249300000000, 0.0002050600000000, 0.0010908400000000 ] - [ -0.0000223300000000, 0.0002852400000000, 0.0000510600000000 ] - [ -0.0000295400000000, 0.0002238800000000, 0.0000658500000000 ] - [ -0.0001249300000000, 0.0002050600000000, -0.0010908400000000 ] - [ 0.0003027500000000, 0.0002447700000000, 0.0000598000000000 ] - [ -0.0002556700000000, -0.0014889200000000, -0.0002378800000000 ] - [ 0.0002556700000000, -0.0014889200000000, 0.0002378800000000 ] - [ -0.0000301200000000, 0.0000894600000000, 0.0000017600000000 ] - [ 0.0000301200000000, 0.0000894600000000, -0.0000017600000000 ] - [ -0.0001476500000000, -0.0001052700000000, 0.0002070800000000 ] - [ 0.0001476500000000, -0.0001052700000000, -0.0002070800000000 ] - [ -0.0000038300000000, 0.0000531000000000, -0.0000091600000000 ] - [ 0.0000038300000000, 0.0000531000000000, 0.0000091600000000 ] - [ 0.0000000000000000, -0.1031594100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0071586400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078920600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0077763100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076969000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076465300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078408800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078631700000000, 0.0000000000000000 ] - [ 0.0000042900000000, -0.0075686700000000, -0.0001190700000000 ] - [ -0.0000076500000000, -0.0075989500000000, -0.0001095600000000 ] - [ 0.0029073400000000, -0.0095416300000000, 0.0108349600000000 ] - [ 0.0001210300000000, -0.0076221900000000, 0.0002144900000000 ] - [ -0.0000042900000000, -0.0075686700000000, 0.0001190700000000 ] - [ 0.0000076500000000, -0.0075989500000000, 0.0001095600000000 ] - [ -0.0029073400000000, -0.0095416300000000, -0.0108349600000000 ] - [ -0.0001210300000000, -0.0076221900000000, -0.0002144900000000 ] - [ 0.0017015400000000, 0.0078502600000000, -0.0007082500000000 ] - [ -0.0017015400000000, 0.0078502600000000, 0.0007082500000000 ] - [ -0.0003261700000000, 0.0078390600000000, -0.0000143200000000 ] - [ 0.0003261700000000, 0.0078390600000000, 0.0000143200000000 ] - [ -0.0002662900000000, 0.0077641900000000, 0.0004097500000000 ] - [ 0.0002662900000000, 0.0077641900000000, -0.0004097500000000 ] - [ -0.0000869900000000, 0.0077640500000000, -0.0003661000000000 ] - [ 0.0000869900000000, 0.0077640500000000, 0.0003661000000000 ] - [ 0.0000155400000000, -0.0081448300000000, -0.0004161800000000 ] - [ -0.0001760400000000, -0.0077345700000000, -0.0018470500000000 ] - [ -0.0000758000000000, -0.0075524300000000, -0.0001545300000000 ] - [ 0.0002303000000000, -0.0075297500000000, -0.0000132300000000 ] - [ 0.0001760400000000, -0.0077345700000000, 0.0018470500000000 ] - [ -0.0000155400000000, -0.0081448300000000, 0.0004161800000000 ] - [ -0.0002303000000000, -0.0075297500000000, 0.0000132300000000 ] - [ 0.0000758000000000, -0.0075524300000000, 0.0001545300000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020915600000000, 0.0003954900000000, -0.0019418800000000 ] - [ 0.0021060700000000, 0.0003114800000000, -0.0019005900000000 ] - [ 0.0412400200000000, -0.0457804000000000, -0.0012465000000000 ] - [ 0.0024602200000000, -0.0000432400000000, -0.0017523900000000 ] - [ 0.0021264200000000, 0.0002816800000000, -0.0018614600000000 ] - [ 0.0021330500000000, 0.0003019700000000, -0.0018728700000000 ] - [ 0.0018265300000000, -0.0008974800000000, -0.0040043400000000 ] - [ 0.0021342800000000, 0.0000737800000000, -0.0019833600000000 ] - [ -0.0020915600000000, 0.0003954900000000, 0.0019418800000000 ] - [ -0.0021060700000000, 0.0003114800000000, 0.0019005900000000 ] - [ -0.0412400200000000, -0.0457804000000000, 0.0012465000000000 ] - [ -0.0024602200000000, -0.0000432400000000, 0.0017523900000000 ] - [ -0.0021264200000000, 0.0002816800000000, 0.0018614600000000 ] - [ -0.0021330500000000, 0.0003019700000000, 0.0018728700000000 ] - [ -0.0018265300000000, -0.0008974800000000, 0.0040043400000000 ] - [ -0.0021342800000000, 0.0000737800000000, 0.0019833600000000 ] - [ 0.0026845000000000, -0.0003307100000000, -0.0013850800000000 ] - [ 0.0023198700000000, -0.0002984500000000, -0.0016273500000000 ] - [ 0.0022162000000000, -0.0000102100000000, -0.0019112000000000 ] - [ 0.0022303400000000, -0.0000084300000000, -0.0019128900000000 ] - [ 0.0007864800000000, -0.0090013700000000, 0.0049906100000000 ] - [ 0.0021470800000000, -0.0003214400000000, -0.0019055300000000 ] - [ 0.0022187600000000, -0.0000054300000000, -0.0018676600000000 ] - [ 0.0022418900000000, -0.0000309600000000, -0.0018408100000000 ] - [ -0.0007864800000000, -0.0090013700000000, -0.0049906100000000 ] - [ -0.0021470800000000, -0.0003214400000000, 0.0019055300000000 ] - [ -0.0022187600000000, -0.0000054300000000, 0.0018676600000000 ] - [ -0.0022418900000000, -0.0000309600000000, 0.0018408100000000 ] - [ -0.0026845000000000, -0.0003307100000000, 0.0013850800000000 ] - [ -0.0023198700000000, -0.0002984500000000, 0.0016273500000000 ] - [ -0.0022162000000000, -0.0000102100000000, 0.0019112000000000 ] - [ -0.0022303400000000, -0.0000084300000000, 0.0019128900000000 ] - [ -0.0003763400000000, 0.0016494000000000, -0.0024153500000000 ] - [ 0.0026392200000000, -0.0007119300000000, -0.0020727500000000 ] - [ 0.0023416800000000, 0.0003143000000000, -0.0018606000000000 ] - [ 0.0021978600000000, 0.0001194000000000, -0.0019947600000000 ] - [ 0.0023311100000000, -0.0000584800000000, -0.0018018300000000 ] - [ 0.0020751900000000, 0.0002930200000000, -0.0013911400000000 ] - [ 0.0021632400000000, 0.0002991500000000, -0.0017993500000000 ] - [ 0.0020356200000000, 0.0002938900000000, -0.0019811300000000 ] - [ 0.0003763400000000, 0.0016494000000000, 0.0024153500000000 ] - [ -0.0026392200000000, -0.0007119300000000, 0.0020727500000000 ] - [ -0.0023416800000000, 0.0003143000000000, 0.0018606000000000 ] - [ -0.0021978600000000, 0.0001194000000000, 0.0019947600000000 ] - [ -0.0023311100000000, -0.0000584800000000, 0.0018018300000000 ] - [ -0.0020751900000000, 0.0002930200000000, 0.0013911400000000 ] - [ -0.0021632400000000, 0.0002991500000000, 0.0017993500000000 ] - [ -0.0020356200000000, 0.0002938900000000, 0.0019811300000000 ] - [ 0.0020957900000000, 0.0000505100000000, -0.0024077600000000 ] - [ 0.0020972500000000, -0.0002970000000000, -0.0017738900000000 ] - [ 0.0024116300000000, 0.0001871800000000, -0.0014992000000000 ] - [ 0.0021554900000000, -0.0000402800000000, -0.0019950900000000 ] - [ 0.0020798500000000, -0.0004003400000000, -0.0015257500000000 ] - [ 0.0023671900000000, -0.0000576500000000, -0.0016276900000000 ] - [ 0.0023775900000000, 0.0000917100000000, -0.0018164700000000 ] - [ 0.0020474600000000, -0.0001109800000000, -0.0018681500000000 ] - [ -0.0020798500000000, -0.0004003400000000, 0.0015257500000000 ] - [ -0.0023671900000000, -0.0000576500000000, 0.0016276900000000 ] - [ -0.0023775900000000, 0.0000917100000000, 0.0018164700000000 ] - [ -0.0020474600000000, -0.0001109800000000, 0.0018681500000000 ] - [ -0.0020957900000000, 0.0000505100000000, 0.0024077600000000 ] - [ -0.0020972500000000, -0.0002970000000000, 0.0017738900000000 ] - [ -0.0024116300000000, 0.0001871800000000, 0.0014992000000000 ] - [ -0.0021554900000000, -0.0000402800000000, 0.0019950900000000 ] - [ -0.0008853000000000, -0.0001387900000000, 0.0014842600000000 ] - [ 0.0000244400000000, 0.0003412900000000, 0.0000165000000000 ] - [ 0.0000285000000000, -0.0001258600000000, -0.0000102100000000 ] - [ -0.0000061200000000, -0.0000482500000000, 0.0000269700000000 ] - [ 0.0008853000000000, -0.0001387900000000, -0.0014842600000000 ] - [ -0.0000244400000000, 0.0003412900000000, -0.0000165000000000 ] - [ -0.0000285000000000, -0.0001258600000000, 0.0000102100000000 ] - [ 0.0000061200000000, -0.0000482500000000, -0.0000269700000000 ] - [ 0.0000000000000000, -0.0008887300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001859200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032796700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001515700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001112500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001715500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003427500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000831700000000, 0.0000000000000000 ] - [ -0.0000303000000000, -0.0000370600000000, 0.0000666600000000 ] - [ -0.0000224500000000, -0.0000985500000000, 0.0000517500000000 ] - [ 0.0003049900000000, -0.0000545900000000, 0.0000594000000000 ] - [ -0.0001249100000000, -0.0000177300000000, -0.0010906600000000 ] - [ 0.0000224500000000, -0.0000985500000000, -0.0000517500000000 ] - [ 0.0000303000000000, -0.0000370600000000, -0.0000666600000000 ] - [ 0.0001249100000000, -0.0000177300000000, 0.0010906600000000 ] - [ -0.0003049900000000, -0.0000545900000000, -0.0000594000000000 ] - [ 0.0002641400000000, 0.0013072200000000, 0.0002381500000000 ] - [ -0.0002641400000000, 0.0013072200000000, -0.0002381500000000 ] - [ 0.0000295000000000, -0.0002823300000000, -0.0000018100000000 ] - [ -0.0000295000000000, -0.0002823300000000, 0.0000018100000000 ] - [ 0.0001502700000000, -0.0000801100000000, -0.0002029100000000 ] - [ -0.0001502700000000, -0.0000801100000000, 0.0002029100000000 ] - [ 0.0000037700000000, -0.0002446500000000, 0.0000088600000000 ] - [ -0.0000037700000000, -0.0002446500000000, -0.0000088600000000 ] - [ 0.0000000000000000, 0.1169117100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0082520800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075109600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0076269400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0077128000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0077633500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075637000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075415500000000, 0.0000000000000000 ] - [ -0.0000043800000000, -0.0078401700000000, 0.0001204000000000 ] - [ 0.0000083700000000, -0.0078094700000000, 0.0001099400000000 ] - [ -0.0028837600000000, -0.0059000500000000, -0.0108193200000000 ] - [ -0.0001208000000000, -0.0077831000000000, -0.0002138100000000 ] - [ 0.0000043800000000, -0.0078401700000000, -0.0001204000000000 ] - [ -0.0000083700000000, -0.0078094700000000, -0.0001099400000000 ] - [ 0.0028837600000000, -0.0059000500000000, 0.0108193200000000 ] - [ 0.0001208000000000, -0.0077831000000000, 0.0002138100000000 ] - [ -0.0017261300000000, 0.0075528100000000, 0.0007169300000000 ] - [ 0.0017261300000000, 0.0075528100000000, -0.0007169300000000 ] - [ 0.0003397300000000, 0.0075411500000000, 0.0000197400000000 ] - [ -0.0003397300000000, 0.0075411500000000, -0.0000197400000000 ] - [ 0.0002680700000000, 0.0076420100000000, -0.0004129700000000 ] - [ -0.0002680700000000, 0.0076420100000000, 0.0004129700000000 ] - [ 0.0000878500000000, 0.0076418700000000, 0.0003642200000000 ] - [ -0.0000878500000000, 0.0076418700000000, -0.0003642200000000 ] - [ -0.0000162800000000, -0.0072577600000000, 0.0004247800000000 ] - [ 0.0001746300000000, -0.0076660900000000, 0.0018698500000000 ] - [ 0.0000777300000000, -0.0078553300000000, 0.0001460700000000 ] - [ -0.0002273300000000, -0.0078789000000000, 0.0000096700000000 ] - [ -0.0001746300000000, -0.0076660900000000, -0.0018698500000000 ] - [ 0.0000162800000000, -0.0072577600000000, -0.0004247800000000 ] - [ 0.0002273300000000, -0.0078789000000000, -0.0000096700000000 ] - [ -0.0000777300000000, -0.0078553300000000, -0.0001460700000000 ]- atom: 97 displacement: [ -0.0052513036271976, 0.0000000000000000, 0.0085102179886876 ] forces: - [ 0.0021041900000000, 0.0002016300000000, -0.0018095100000000 ] - [ 0.0022318600000000, 0.0001582800000000, -0.0018608300000000 ] - [ -0.0240011700000000, 0.0203766600000000, 0.0049200200000000 ] - [ 0.0026949300000000, -0.0000494200000000, -0.0019394400000000 ] - [ 0.0022301200000000, 0.0000920700000000, -0.0019533200000000 ] - [ 0.0020965600000000, 0.0002071900000000, -0.0019604600000000 ] - [ 0.0056021000000000, -0.0012343900000000, -0.0069150200000000 ] - [ 0.0013211300000000, 0.0002432700000000, -0.0022817600000000 ] - [ -0.0022282300000000, 0.0001218100000000, 0.0019738800000000 ] - [ -0.0021009700000000, 0.0001653100000000, 0.0019222500000000 ] - [ -0.0278763300000000, -0.0195803600000000, 0.0087933800000000 ] - [ -0.0016376100000000, 0.0003729300000000, 0.0018431300000000 ] - [ -0.0021022700000000, 0.0002316000000000, 0.0018302500000000 ] - [ -0.0022358300000000, 0.0001160200000000, 0.0018232100000000 ] - [ 0.0012571700000000, 0.0015621000000000, -0.0031264200000000 ] - [ -0.0030095900000000, 0.0000799400000000, 0.0015045500000000 ] - [ 0.0066681000000000, 0.0024846700000000, -0.0060896200000000 ] - [ 0.0019746800000000, -0.0003754800000000, -0.0015191700000000 ] - [ 0.0021772100000000, -0.0001557800000000, -0.0019927500000000 ] - [ 0.0021474900000000, -0.0000981700000000, -0.0019002100000000 ] - [ 0.0045043800000000, 0.0013572000000000, 0.0075239400000000 ] - [ 0.0021588400000000, -0.0001499900000000, -0.0023915200000000 ] - [ 0.0021490200000000, -0.0002060400000000, -0.0018169000000000 ] - [ 0.0022053300000000, -0.0001774600000000, -0.0018468300000000 ] - [ 0.0002123200000000, -0.0015916500000000, 0.0120323900000000 ] - [ -0.0021735600000000, -0.0001732000000000, 0.0013926700000000 ] - [ -0.0021833900000000, -0.0001175500000000, 0.0019666700000000 ] - [ -0.0021265800000000, -0.0001461800000000, 0.0019374900000000 ] - [ 0.0023220000000000, -0.0028072800000000, -0.0022974800000000 ] - [ -0.0023564900000000, 0.0000521800000000, 0.0022635800000000 ] - [ -0.0021554300000000, -0.0001676800000000, 0.0017901800000000 ] - [ -0.0021846800000000, -0.0002254600000000, 0.0018828100000000 ] - [ 0.0027496300000000, -0.0006847800000000, -0.0005775000000000 ] - [ 0.0023692500000000, 0.0002333400000000, -0.0020515300000000 ] - [ 0.0020500200000000, 0.0007764300000000, -0.0014829300000000 ] - [ 0.0027165600000000, -0.0005081300000000, -0.0020512200000000 ] - [ 0.0022336100000000, 0.0006589300000000, -0.0028847400000000 ] - [ 0.0019112200000000, -0.0001617900000000, -0.0018760900000000 ] - [ 0.0022332300000000, -0.0000938000000000, -0.0022710300000000 ] - [ 0.0020304700000000, 0.0003517300000000, -0.0017809300000000 ] - [ -0.0016021400000000, 0.0009980400000000, 0.0032102100000000 ] - [ -0.0019608800000000, 0.0000941700000000, 0.0017296500000000 ] - [ -0.0022806100000000, -0.0004500700000000, 0.0022992300000000 ] - [ -0.0016098000000000, 0.0008384900000000, 0.0017296400000000 ] - [ -0.0020986900000000, -0.0003339700000000, 0.0009012400000000 ] - [ -0.0024216200000000, 0.0004856700000000, 0.0019081100000000 ] - [ -0.0020994200000000, 0.0004166400000000, 0.0015136000000000 ] - [ -0.0023020900000000, -0.0000284800000000, 0.0020028300000000 ] - [ 0.0018519200000000, 0.0005052000000000, -0.0021216400000000 ] - [ 0.0023717400000000, 0.0001273700000000, -0.0023062700000000 ] - [ 0.0013946600000000, -0.0008598800000000, -0.0018524600000000 ] - [ 0.0024484500000000, 0.0001856200000000, -0.0021921300000000 ] - [ 0.0025247600000000, -0.0003961600000000, -0.0017800100000000 ] - [ 0.0016222000000000, -0.0008715100000000, -0.0014243700000000 ] - [ 0.0029595700000000, 0.0004740200000000, -0.0021660800000000 ] - [ 0.0019025500000000, -0.0004454500000000, -0.0014315000000000 ] - [ -0.0018065800000000, 0.0000754300000000, 0.0020057100000000 ] - [ -0.0027112500000000, 0.0005503100000000, 0.0023610600000000 ] - [ -0.0013658300000000, -0.0008032200000000, 0.0016184900000000 ] - [ -0.0024309200000000, 0.0001215500000000, 0.0023542900000000 ] - [ -0.0024792700000000, -0.0008267100000000, 0.0016609900000000 ] - [ -0.0019609700000000, -0.0004503600000000, 0.0014765600000000 ] - [ -0.0029341500000000, 0.0005309500000000, 0.0019314500000000 ] - [ -0.0018842500000000, -0.0005090500000000, 0.0015906400000000 ] - [ -0.0016816900000000, -0.0029799200000000, 0.0010319200000000 ] - [ 0.0000945600000000, 0.0001569200000000, 0.0000733400000000 ] - [ 0.0000762700000000, 0.0003580100000000, 0.0000834600000000 ] - [ -0.0000778800000000, 0.0000696100000000, -0.0000724800000000 ] - [ -0.0016753000000000, 0.0031411700000000, 0.0010259400000000 ] - [ 0.0000946000000000, 0.0000229200000000, 0.0000738600000000 ] - [ 0.0000765300000000, -0.0001769700000000, 0.0000839100000000 ] - [ -0.0000779000000000, 0.0001110400000000, -0.0000718800000000 ] - [ 0.0001127800000000, -0.0000880500000000, -0.0003294300000000 ] - [ -0.0000090400000000, -0.0000901100000000, 0.0000052500000000 ] - [ 0.0020895200000000, -0.0000932500000000, -0.0009604900000000 ] - [ -0.0001950200000000, -0.0000898400000000, -0.0000468300000000 ] - [ -0.0002072600000000, -0.0000904000000000, 0.0001146600000000 ] - [ 0.0001795700000000, -0.0000902600000000, 0.0001353500000000 ] - [ -0.0006476200000000, -0.0000896800000000, 0.0007573700000000 ] - [ 0.0000552500000000, -0.0000898300000000, -0.0000551400000000 ] - [ -0.0000289700000000, 0.0001233700000000, 0.0000377700000000 ] - [ 0.0000356500000000, -0.0000330400000000, -0.0000437300000000 ] - [ -0.0004901800000000, 0.0001839200000000, 0.0005163800000000 ] - [ 0.0019624500000000, 0.0014627900000000, -0.0014359800000000 ] - [ 0.0000354100000000, 0.0002133600000000, -0.0000433300000000 ] - [ -0.0000290900000000, 0.0000570700000000, 0.0000384800000000 ] - [ 0.0019579100000000, -0.0012807300000000, -0.0014331500000000 ] - [ -0.0004892800000000, -0.0000017600000000, 0.0005176500000000 ] - [ -0.0015455900000000, -0.0009679100000000, -0.0007001600000000 ] - [ -0.0015462700000000, 0.0007883500000000, -0.0006960500000000 ] - [ 0.0000160600000000, 0.0000321800000000, -0.0000573100000000 ] - [ 0.0000164300000000, -0.0002122600000000, -0.0000572700000000 ] - [ 0.0007892200000000, 0.0005782300000000, 0.0023513600000000 ] - [ 0.0007883100000000, -0.0007589100000000, 0.0023582100000000 ] - [ -0.0000160200000000, -0.0000581000000000, 0.0000591700000000 ] - [ -0.0000159000000000, -0.0001218300000000, 0.0000592800000000 ] - [ 0.0649855100000000, 0.0070903000000000, -0.0500624600000000 ] - [ -0.0006410200000000, 0.0077026600000000, 0.0006691500000000 ] - [ 0.0001253600000000, 0.0077027600000000, -0.0001804500000000 ] - [ -0.0000973100000000, 0.0077020800000000, -0.0001714000000000 ] - [ -0.0050784200000000, 0.0077058800000000, 0.0076686300000000 ] - [ 0.0010126400000000, 0.0077022100000000, -0.0004859300000000 ] - [ -0.0000848600000000, 0.0077029500000000, 0.0002728200000000 ] - [ 0.0000700400000000, 0.0077029600000000, 0.0000485000000000 ] - [ -0.0000194200000000, -0.0078069000000000, -0.0000420000000000 ] - [ 0.0000065500000000, -0.0077920800000000, 0.0000593600000000 ] - [ -0.0142485600000000, 0.0000281200000000, 0.0122429100000000 ] - [ 0.0000068100000000, -0.0075838500000000, 0.0001719800000000 ] - [ -0.0000192700000000, -0.0075989600000000, -0.0000414500000000 ] - [ 0.0000065800000000, -0.0076138100000000, 0.0000607800000000 ] - [ -0.0141720400000000, -0.0153590200000000, 0.0121413600000000 ] - [ 0.0000063400000000, -0.0078214200000000, 0.0001748500000000 ] - [ -0.0005443300000000, 0.0075408600000000, -0.0003964700000000 ] - [ -0.0005511300000000, 0.0078611600000000, -0.0003929100000000 ] - [ -0.0009019600000000, 0.0092027900000000, -0.0006151600000000 ] - [ -0.0009093800000000, 0.0061895600000000, -0.0006157300000000 ] - [ 0.0000996100000000, 0.0079676100000000, 0.0006851900000000 ] - [ 0.0001002100000000, 0.0074375100000000, 0.0006852800000000 ] - [ 0.0001078300000000, 0.0072122600000000, 0.0006891900000000 ] - [ 0.0001074300000000, 0.0081933300000000, 0.0006911000000000 ] - [ -0.0004591900000000, -0.0080692000000000, 0.0010171900000000 ] - [ 0.0013737900000000, -0.0091917900000000, -0.0012569200000000 ] - [ -0.0006325200000000, -0.0077902900000000, 0.0007922200000000 ] - [ 0.0006577200000000, -0.0078324900000000, -0.0007215000000000 ] - [ 0.0013738900000000, -0.0062130600000000, -0.0012490000000000 ] - [ -0.0004598200000000, -0.0073370900000000, 0.0010211400000000 ] - [ 0.0006550200000000, -0.0075730500000000, -0.0007187200000000 ] - [ -0.0006302900000000, -0.0076153600000000, 0.0007958800000000 ]