# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5781010a-ac30-4017-a13c-3fd71dc7857e/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 TbNaO2 / I4_1/amd (141) / materials id 6964](https://mdr.nims.go.jp/datasets/109e75dd-4bde-40bb-805f-195e75cde2b3) ## 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: "I4_1/amd" number: 141 Hall_symbol: "I 4bw 2bw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.296025794999999, 2.296025794999999, 5.166989245000000 ] # a - [ 2.296025794999999, -2.296025794999999, 5.166989245000000 ] # b - [ 2.296025794999999, 2.296025794999999, -5.166989245000000 ] # c points: - symbol: O # 1 coordinates: [ 0.721138060000000, 0.721138060000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.471138060000000, 0.971138060000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.278861940000000, 0.278861940000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.028861940000000, 0.528861940000000, 0.500000000000000 ] mass: 15.999400 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Tb # 7 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 158.925350 - symbol: Tb # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.217767588277465, 0.096768151875648 ] # a* - [ 0.217767588277465, 0.000000000000000, 0.096768151875648 ] # b* - [ 0.217767588277465, 0.217767588277465, 0.000000000000000 ] # c*unit_cell: lattice: - [ 4.592051590000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.592051590000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.333978490000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.471138060000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.778861940000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.528861940000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.971138060000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.278861940000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.028861940000000 ] mass: 15.999400 reduced_to: 4 - symbol: Na # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Tb # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 14 - symbol: Tb # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 14supercell: lattice: - [ 13.776154769999998, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.776154769999998, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.333978490000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.721138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.166666666666667, 0.000000000000000, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 12 coordinates: [ 0.833333333333333, 0.000000000000000, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.166666666666667, 0.333333333333333, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.333333333333333, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 15 coordinates: [ 0.833333333333333, 0.333333333333333, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 16 coordinates: [ 0.166666666666667, 0.666666666666667, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.666666666666667, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 18 coordinates: [ 0.833333333333333, 0.666666666666667, 0.471138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 19 coordinates: [ 0.166666666666667, 0.166666666666667, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.166666666666667, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.833333333333333, 0.166666666666667, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.166666666666667, 0.500000000000000, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.833333333333333, 0.500000000000000, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.166666666666667, 0.833333333333333, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.833333333333333, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 27 coordinates: [ 0.833333333333333, 0.833333333333333, 0.778861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.166666666666667, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.333333333333333, 0.166666666666667, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 30 coordinates: [ 0.666666666666667, 0.166666666666667, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 32 coordinates: [ 0.333333333333333, 0.500000000000000, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 33 coordinates: [ 0.666666666666667, 0.500000000000000, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.833333333333333, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 35 coordinates: [ 0.333333333333333, 0.833333333333333, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 36 coordinates: [ 0.666666666666667, 0.833333333333333, 0.528861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.166666666666667, 0.166666666666667, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.166666666666667, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 39 coordinates: [ 0.833333333333333, 0.166666666666667, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 40 coordinates: [ 0.166666666666667, 0.500000000000000, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.500000000000000, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 42 coordinates: [ 0.833333333333333, 0.500000000000000, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 43 coordinates: [ 0.166666666666667, 0.833333333333333, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.833333333333333, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 45 coordinates: [ 0.833333333333333, 0.833333333333333, 0.221138060000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 46 coordinates: [ 0.000000000000000, 0.166666666666667, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 47 coordinates: [ 0.333333333333333, 0.166666666666667, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 48 coordinates: [ 0.666666666666667, 0.166666666666667, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.500000000000000, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 50 coordinates: [ 0.333333333333333, 0.500000000000000, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 51 coordinates: [ 0.666666666666667, 0.500000000000000, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.833333333333333, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 53 coordinates: [ 0.333333333333333, 0.833333333333333, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 54 coordinates: [ 0.666666666666667, 0.833333333333333, 0.971138060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.278861940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 64 coordinates: [ 0.166666666666667, 0.000000000000000, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.000000000000000, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 66 coordinates: [ 0.833333333333333, 0.000000000000000, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 67 coordinates: [ 0.166666666666667, 0.333333333333333, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.333333333333333, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 69 coordinates: [ 0.833333333333333, 0.333333333333333, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 70 coordinates: [ 0.166666666666667, 0.666666666666667, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 71 coordinates: [ 0.500000000000000, 0.666666666666667, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 72 coordinates: [ 0.833333333333333, 0.666666666666667, 0.028861940000000 ] mass: 15.999400 reduced_to: 28 - symbol: Na # 73 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 74 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 75 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 76 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 77 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 78 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 79 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 80 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 81 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 82 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 83 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 84 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 85 coordinates: [ 0.166666666666667, 0.333333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 86 coordinates: [ 0.500000000000000, 0.333333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 87 coordinates: [ 0.833333333333333, 0.333333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 88 coordinates: [ 0.166666666666667, 0.666666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 89 coordinates: [ 0.500000000000000, 0.666666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 90 coordinates: [ 0.833333333333333, 0.666666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 92 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 93 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 94 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 95 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 96 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 97 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 98 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 99 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 100 coordinates: [ 0.000000000000000, 0.166666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 101 coordinates: [ 0.333333333333333, 0.166666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 102 coordinates: [ 0.666666666666667, 0.166666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 104 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 105 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 106 coordinates: [ 0.000000000000000, 0.833333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 107 coordinates: [ 0.333333333333333, 0.833333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Na # 108 coordinates: [ 0.666666666666667, 0.833333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 82 - symbol: Tb # 109 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 110 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 111 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 112 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 113 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 114 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 115 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 116 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 117 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 118 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 119 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 120 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 121 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 122 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 123 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 124 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 125 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 126 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 127 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 128 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 129 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 130 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 131 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 132 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 133 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 134 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 135 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 136 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 137 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 138 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 139 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 140 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 141 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 142 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 143 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 144 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 158.925350 reduced_to: 118born_effective_charge:- # 1 (O) - [ -1.396143260000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -3.413295310000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -2.395359480000000 ]- # 2 (O) - [ -3.413295310000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.396143260000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.395359480000000 ]- # 3 (O) - [ -3.413295310000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.396143260000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -2.395359480000000 ]- # 4 (O) - [ -1.396143260000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -3.413295310000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -2.395359480000000 ]- # 5 (Na) - [ 0.998647800000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.998647800000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.081892350000000 ]- # 6 (Na) - [ 0.998647800000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.998647800000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.081892350000000 ]- # 7 (Tb) - [ 3.810790770000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 3.810790770000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.708826620000000 ]- # 8 (Tb) - [ 3.810790770000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 3.810790770000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.708826620000000 ]dielectric_constant: - [ 3.829788070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.829788070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.892961120000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0660072800000000, 0.0000000000000000, -0.0116536300000000 ] - [ 0.0020117900000000, 0.0000000000000000, -0.0116766200000000 ] - [ 0.0019976900000000, 0.0000000000000000, -0.0111383700000000 ] - [ 0.0005846400000000, -0.0000331100000000, -0.0113915200000000 ] - [ 0.0005099300000000, 0.0007057800000000, -0.0116326400000000 ] - [ 0.0005093200000000, -0.0006997000000000, -0.0111812000000000 ] - [ 0.0005846400000000, 0.0000331100000000, -0.0113915200000000 ] - [ 0.0005099300000000, -0.0007057800000000, -0.0116326400000000 ] - [ 0.0005093200000000, 0.0006997000000000, -0.0111812000000000 ] - [ 0.0012991300000000, 0.0000000000000000, -0.0162244200000000 ] - [ 0.0017767400000000, 0.0000000000000000, -0.0114086100000000 ] - [ 0.0012945100000000, 0.0000000000000000, -0.0066339000000000 ] - [ -0.0003878300000000, 0.0001952800000000, -0.0114658900000000 ] - [ 0.0006909500000000, 0.0000009500000000, -0.0114078700000000 ] - [ -0.0003797600000000, -0.0001939100000000, -0.0113466700000000 ] - [ -0.0003878300000000, -0.0001952800000000, -0.0114658900000000 ] - [ 0.0006909500000000, -0.0000009500000000, -0.0114078700000000 ] - [ -0.0003797600000000, 0.0001939100000000, -0.0113466700000000 ] - [ 0.0024994900000000, 0.0058493000000000, 0.0133355200000000 ] - [ 0.0019603900000000, 0.0000017100000000, 0.0114067500000000 ] - [ 0.0024846100000000, -0.0057965700000000, 0.0094922300000000 ] - [ -0.0002882600000000, 0.0000000000000000, 0.0113777600000000 ] - [ 0.0006362400000000, 0.0000000000000000, 0.0114051100000000 ] - [ -0.0002799600000000, 0.0000000000000000, 0.0114315800000000 ] - [ 0.0024994900000000, -0.0058493000000000, 0.0133355200000000 ] - [ 0.0019603900000000, -0.0000017100000000, 0.0114067500000000 ] - [ 0.0024846100000000, 0.0057965700000000, 0.0094922300000000 ] - [ -0.0043599500000000, -0.0000144900000000, 0.0114205600000000 ] - [ 0.0006099800000000, 0.0005835500000000, 0.0110260500000000 ] - [ 0.0006091100000000, -0.0005780500000000, 0.0117784400000000 ] - [ -0.0005006900000000, 0.0000000000000000, 0.0114086000000000 ] - [ 0.0001207800000000, 0.0000000000000000, 0.0113352500000000 ] - [ 0.0001215600000000, 0.0000000000000000, 0.0114701700000000 ] - [ -0.0043599500000000, 0.0000144900000000, 0.0114205600000000 ] - [ 0.0006099800000000, -0.0005835500000000, 0.0110260500000000 ] - [ 0.0006091100000000, 0.0005780500000000, 0.0117784400000000 ] - [ -0.0002351300000000, 0.0006893100000000, -0.0109637900000000 ] - [ 0.0004490100000000, 0.0000011900000000, -0.0114046700000000 ] - [ -0.0002308900000000, -0.0006875100000000, -0.0118416400000000 ] - [ -0.0001050500000000, 0.0000000000000000, -0.0113465300000000 ] - [ 0.0002123800000000, 0.0000000000000000, -0.0114041500000000 ] - [ -0.0001032700000000, 0.0000000000000000, -0.0114609400000000 ] - [ -0.0002351300000000, -0.0006893100000000, -0.0109637900000000 ] - [ 0.0004490100000000, -0.0000011900000000, -0.0114046700000000 ] - [ -0.0002308900000000, 0.0006875100000000, -0.0118416400000000 ] - [ -0.0029280900000000, -0.0000045100000000, -0.0114159600000000 ] - [ 0.0011250900000000, 0.0001954300000000, -0.0108549100000000 ] - [ 0.0011256100000000, -0.0001941800000000, -0.0119475100000000 ] - [ -0.0005901100000000, 0.0000000000000000, -0.0114069200000000 ] - [ 0.0003018600000000, 0.0000000000000000, -0.0112990400000000 ] - [ 0.0003042400000000, 0.0000000000000000, -0.0115089900000000 ] - [ -0.0029280900000000, 0.0000045100000000, -0.0114159600000000 ] - [ 0.0011250900000000, -0.0001954300000000, -0.0108549100000000 ] - [ 0.0011256100000000, 0.0001941800000000, -0.0119475100000000 ] - [ -0.0011193600000000, 0.0000000000000000, 0.0114445900000000 ] - [ 0.0011724800000000, 0.0000000000000000, 0.0109368600000000 ] - [ 0.0011743500000000, 0.0000000000000000, 0.0118683600000000 ] - [ -0.0006508600000000, -0.0000005800000000, 0.0114085900000000 ] - [ 0.0003353500000000, 0.0001153700000000, 0.0113038700000000 ] - [ 0.0003379300000000, -0.0001146700000000, 0.0115053200000000 ] - [ -0.0006508600000000, 0.0000005800000000, 0.0114085900000000 ] - [ 0.0003353500000000, -0.0001153700000000, 0.0113038700000000 ] - [ 0.0003379300000000, 0.0001146700000000, 0.0115053200000000 ] - [ 0.0005562000000000, 0.0000000000000000, 0.0133045100000000 ] - [ 0.0006513900000000, 0.0000000000000000, 0.0114067300000000 ] - [ 0.0005584700000000, 0.0000000000000000, 0.0095225900000000 ] - [ -0.0002039400000000, 0.0006748900000000, 0.0117794000000000 ] - [ 0.0003428700000000, 0.0000011400000000, 0.0114077000000000 ] - [ -0.0002013200000000, -0.0006718200000000, 0.0110360700000000 ] - [ -0.0002039400000000, -0.0006748900000000, 0.0117794000000000 ] - [ 0.0003428700000000, -0.0000011400000000, 0.0114077000000000 ] - [ -0.0002013200000000, 0.0006718200000000, 0.0110360700000000 ] - [ -0.0001185200000000, -0.0010833100000000, 0.0009327900000000 ] - [ -0.0004306700000000, -0.0000003000000000, -0.0000000600000000 ] - [ -0.0001221200000000, 0.0010738800000000, -0.0009256600000000 ] - [ 0.0000970900000000, 0.0000000000000000, 0.0000118000000000 ] - [ -0.0001980800000000, 0.0000000000000000, -0.0000001000000000 ] - [ 0.0000925200000000, 0.0000000000000000, -0.0000130500000000 ] - [ -0.0001185200000000, 0.0010833100000000, 0.0009327900000000 ] - [ -0.0004306700000000, 0.0000003000000000, -0.0000000600000000 ] - [ -0.0001221200000000, -0.0010738800000000, -0.0009256600000000 ] - [ 0.0131810300000000, 0.0000000000000000, 0.0013473900000000 ] - [ -0.0006981600000000, 0.0000000000000000, -0.0000000600000000 ] - [ 0.0121780500000000, 0.0000000000000000, -0.0012055100000000 ] - [ 0.0001991300000000, -0.0005084400000000, 0.0000961900000000 ] - [ -0.0003250800000000, -0.0000008800000000, -0.0000000700000000 ] - [ 0.0001921200000000, 0.0005050600000000, -0.0000951400000000 ] - [ 0.0001991300000000, 0.0005084400000000, 0.0000961900000000 ] - [ -0.0003250800000000, 0.0000008800000000, -0.0000000700000000 ] - [ 0.0001921200000000, -0.0005050600000000, -0.0000951400000000 ] - [ 0.0032204300000000, 0.0000000000000000, 0.0000073700000000 ] - [ -0.0005751900000000, 0.0000000000000000, -0.0002388800000000 ] - [ -0.0005744700000000, 0.0000000000000000, 0.0002365900000000 ] - [ 0.0003628800000000, 0.0000009000000000, 0.0000014700000000 ] - [ -0.0002059800000000, -0.0001472700000000, -0.0001094100000000 ] - [ -0.0002059400000000, 0.0001458300000000, 0.0001086400000000 ] - [ 0.0003628800000000, -0.0000009000000000, 0.0000014700000000 ] - [ -0.0002059800000000, 0.0001472700000000, -0.0001094100000000 ] - [ -0.0002059400000000, -0.0001458300000000, 0.0001086400000000 ] - [ 0.0004620900000000, 0.0000012700000000, -0.0000006000000000 ] - [ -0.0002416900000000, -0.0001426100000000, 0.0000235000000000 ] - [ -0.0002431700000000, 0.0001417500000000, -0.0000233600000000 ] - [ 0.0001973700000000, 0.0000000000000000, -0.0000006000000000 ] - [ -0.0000962900000000, 0.0000000000000000, 0.0000102600000000 ] - [ -0.0000973000000000, 0.0000000000000000, -0.0000098700000000 ] - [ 0.0004620900000000, -0.0000012700000000, -0.0000006000000000 ] - [ -0.0002416900000000, 0.0001426100000000, 0.0000235000000000 ] - [ -0.0002431700000000, -0.0001417500000000, -0.0000233600000000 ] - [ 0.0134327700000000, -0.0000781100000000, -0.0000181000000000 ] - [ -0.0033024500000000, -0.0010691000000000, 0.0000414100000000 ] - [ -0.0032917200000000, 0.0010566600000000, -0.0000418000000000 ] - [ 0.0004570900000000, 0.0000000000000000, -0.0000015300000000 ] - [ -0.0003643300000000, 0.0000000000000000, -0.0001263500000000 ] - [ -0.0003696900000000, 0.0000000000000000, 0.0001276300000000 ] - [ 0.0134327700000000, 0.0000781100000000, -0.0000181000000000 ] - [ -0.0033024500000000, 0.0010691000000000, 0.0000414100000000 ] - [ -0.0032917200000000, -0.0010566600000000, -0.0000418000000000 ] - [ 0.0137095300000000, 0.0000000000000000, 0.0000784300000000 ] - [ -0.0028974100000000, 0.0000000000000000, 0.0008673300000000 ] - [ -0.0028900100000000, 0.0000000000000000, -0.0008561800000000 ] - [ 0.0010202200000000, 0.0000019900000000, -0.0000111600000000 ] - [ -0.0004410100000000, -0.0005064400000000, 0.0004172000000000 ] - [ -0.0004459600000000, 0.0005003500000000, -0.0004123000000000 ] - [ 0.0010202200000000, -0.0000019900000000, -0.0000111600000000 ] - [ -0.0004410100000000, 0.0005064400000000, 0.0004172000000000 ] - [ -0.0004459600000000, -0.0005003500000000, -0.0004123000000000 ] - [ 0.0006378800000000, 0.0000000000000000, 0.0006681700000000 ] - [ -0.0015245500000000, 0.0000000000000000, 0.0000014000000000 ] - [ 0.0006148700000000, 0.0000000000000000, -0.0006625100000000 ] - [ 0.0003299300000000, -0.0004445900000000, -0.0002605000000000 ] - [ -0.0006471800000000, -0.0000010900000000, -0.0000008400000000 ] - [ 0.0003243000000000, 0.0004428500000000, 0.0002582800000000 ] - [ 0.0003299300000000, 0.0004445900000000, -0.0002605000000000 ] - [ -0.0006471800000000, 0.0000010900000000, -0.0000008400000000 ] - [ 0.0003243000000000, -0.0004428500000000, 0.0002582800000000 ] - [ 0.0004999600000000, -0.0018493700000000, -0.0027528400000000 ] - [ -0.0015306000000000, -0.0000006600000000, -0.0000023900000000 ] - [ 0.0004874600000000, 0.0018399600000000, 0.0027333100000000 ] - [ 0.0002877700000000, 0.0000000000000000, 0.0000338300000000 ] - [ -0.0005753400000000, 0.0000000000000000, -0.0000009400000000 ] - [ 0.0002808200000000, 0.0000000000000000, -0.0000341400000000 ] - [ 0.0004999600000000, 0.0018493700000000, -0.0027528400000000 ] - [ -0.0015306000000000, 0.0000006600000000, -0.0000023900000000 ] - [ 0.0004874600000000, -0.0018399600000000, 0.0027333100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1092567800000000, -0.0117750800000000 ] - [ -0.0000063000000000, -0.0027951100000000, -0.0114097600000000 ] - [ 0.0000063000000000, -0.0027951100000000, -0.0114097600000000 ] - [ 0.0000000000000000, 0.0197711300000000, -0.0155195600000000 ] - [ 0.0007058500000000, 0.0014535500000000, -0.0115602200000000 ] - [ -0.0007058500000000, 0.0014535500000000, -0.0115602200000000 ] - [ 0.0000000000000000, 0.0195700400000000, -0.0073679400000000 ] - [ -0.0007006500000000, 0.0014597700000000, -0.0112524800000000 ] - [ 0.0007006500000000, 0.0014597700000000, -0.0112524800000000 ] - [ -0.0000437100000000, -0.0029285000000000, -0.0113787100000000 ] - [ 0.0000000000000000, -0.0005895200000000, -0.0114053000000000 ] - [ 0.0000437100000000, -0.0029285000000000, -0.0113787100000000 ] - [ 0.0015914200000000, 0.0011223900000000, -0.0121774700000000 ] - [ 0.0000000000000000, 0.0003010300000000, -0.0115820600000000 ] - [ -0.0015914200000000, 0.0011223900000000, -0.0121774700000000 ] - [ -0.0015776900000000, 0.0011279100000000, -0.0106423700000000 ] - [ 0.0000000000000000, 0.0003037300000000, -0.0112328700000000 ] - [ 0.0015776900000000, 0.0011279100000000, -0.0106423700000000 ] - [ 0.0108743900000000, 0.0024714400000000, 0.0144366800000000 ] - [ 0.0000000000000000, -0.0002859700000000, 0.0117499400000000 ] - [ -0.0108743900000000, 0.0024714400000000, 0.0144366800000000 ] - [ 0.0000118400000000, 0.0019612500000000, 0.0114087200000000 ] - [ 0.0000000000000000, 0.0006359300000000, 0.0114054600000000 ] - [ -0.0000118400000000, 0.0019612500000000, 0.0114087200000000 ] - [ -0.0107850400000000, 0.0025119800000000, 0.0083872100000000 ] - [ 0.0000000000000000, -0.0002815300000000, 0.0110617000000000 ] - [ 0.0107850400000000, 0.0025119800000000, 0.0083872100000000 ] - [ 0.0000000000000000, 0.0052780500000000, -0.0022734700000000 ] - [ 0.0005806300000000, -0.0007115600000000, 0.0106628300000000 ] - [ -0.0005806300000000, -0.0007115600000000, 0.0106628300000000 ] - [ 0.0000000000000000, 0.0062750300000000, 0.0113890100000000 ] - [ 0.0000023100000000, 0.0014532400000000, 0.0114017200000000 ] - [ -0.0000023100000000, 0.0014532400000000, 0.0114017200000000 ] - [ 0.0000000000000000, 0.0053046300000000, 0.0249233500000000 ] - [ -0.0005824300000000, -0.0006953300000000, 0.0121386100000000 ] - [ 0.0005824300000000, -0.0006953300000000, 0.0121386100000000 ] - [ 0.0006896400000000, -0.0009833900000000, -0.0103809700000000 ] - [ 0.0000000000000000, -0.0004617200000000, -0.0111059100000000 ] - [ -0.0006896400000000, -0.0009833900000000, -0.0103809700000000 ] - [ 0.0000017600000000, 0.0019539600000000, -0.0114019700000000 ] - [ 0.0000000000000000, 0.0009171500000000, -0.0114029200000000 ] - [ -0.0000017600000000, 0.0019539600000000, -0.0114019700000000 ] - [ -0.0006887300000000, -0.0009576000000000, -0.0124186400000000 ] - [ 0.0000000000000000, -0.0004533500000000, -0.0117006000000000 ] - [ 0.0006887300000000, -0.0009576000000000, -0.0124186400000000 ] - [ 0.0000000000000000, 0.0012724600000000, -0.0023735000000000 ] - [ 0.0015865700000000, -0.0003870800000000, -0.0107937500000000 ] - [ -0.0015865700000000, -0.0003870800000000, -0.0107937500000000 ] - [ 0.0000000000000000, 0.0017767500000000, -0.0113940600000000 ] - [ 0.0000035700000000, 0.0006899300000000, -0.0114033600000000 ] - [ -0.0000035700000000, 0.0006899300000000, -0.0114033600000000 ] - [ 0.0000000000000000, 0.0013198300000000, -0.0203501400000000 ] - [ -0.0015825900000000, -0.0003805100000000, -0.0120103500000000 ] - [ 0.0015825900000000, -0.0003805100000000, -0.0120103500000000 ] - [ 0.0000000000000000, -0.0011200800000000, 0.0114830500000000 ] - [ -0.0000082300000000, -0.0006502100000000, 0.0114073100000000 ] - [ 0.0000082300000000, -0.0006502100000000, 0.0114073100000000 ] - [ 0.0000000000000000, 0.0011720000000000, 0.0102111800000000 ] - [ 0.0005264400000000, 0.0003345400000000, 0.0113147700000000 ] - [ -0.0005264400000000, 0.0003345400000000, 0.0113147700000000 ] - [ 0.0000000000000000, 0.0011760200000000, 0.0125869400000000 ] - [ -0.0005222800000000, 0.0003386500000000, 0.0114937800000000 ] - [ 0.0005222800000000, 0.0003386500000000, 0.0114937800000000 ] - [ -0.0000102800000000, -0.0041214500000000, 0.0114010600000000 ] - [ 0.0000000000000000, -0.0013685500000000, 0.0114083300000000 ] - [ 0.0000102800000000, -0.0041214500000000, 0.0114010600000000 ] - [ 0.0006773400000000, 0.0019967700000000, 0.0119746600000000 ] - [ 0.0000000000000000, 0.0006787300000000, 0.0114300100000000 ] - [ -0.0006773400000000, 0.0019967700000000, 0.0119746600000000 ] - [ -0.0006706500000000, 0.0020064500000000, 0.0108428100000000 ] - [ 0.0000000000000000, 0.0006838700000000, 0.0113841300000000 ] - [ 0.0006706500000000, 0.0020064500000000, 0.0108428100000000 ] - [ -0.0015802200000000, 0.0001278900000000, 0.0012732300000000 ] - [ 0.0000000000000000, 0.0001947500000000, 0.0001284300000000 ] - [ 0.0015802200000000, 0.0001278900000000, 0.0012732300000000 ] - [ -0.0000022700000000, -0.0009682200000000, 0.0000017200000000 ] - [ 0.0000000000000000, -0.0003849800000000, 0.0000002000000000 ] - [ 0.0000022700000000, -0.0009682200000000, 0.0000017200000000 ] - [ 0.0015785000000000, 0.0001085800000000, -0.0012710900000000 ] - [ 0.0000000000000000, 0.0001904900000000, -0.0001289900000000 ] - [ -0.0015785000000000, 0.0001085800000000, -0.0012710900000000 ] - [ -0.0000048000000000, 0.0059849000000000, 0.0000015900000000 ] - [ 0.0000000000000000, 0.0006175800000000, 0.0000010200000000 ] - [ 0.0000048000000000, 0.0059849000000000, 0.0000015900000000 ] - [ -0.0012270700000000, -0.0014838200000000, -0.0000588900000000 ] - [ 0.0000000000000000, -0.0003094300000000, -0.0000278200000000 ] - [ 0.0012270700000000, -0.0014838200000000, -0.0000588900000000 ] - [ 0.0012116300000000, -0.0014796200000000, 0.0000583000000000 ] - [ 0.0000000000000000, -0.0003104700000000, 0.0000275500000000 ] - [ -0.0012116300000000, -0.0014796200000000, 0.0000583000000000 ] - [ 0.0000000000000000, 0.0046363700000000, 0.0000330500000000 ] - [ 0.0000021600000000, 0.0007975000000000, -0.0000005700000000 ] - [ -0.0000021600000000, 0.0007975000000000, -0.0000005700000000 ] - [ 0.0000000000000000, -0.0013297700000000, -0.0008392100000000 ] - [ -0.0002680700000000, -0.0004033200000000, -0.0001082100000000 ] - [ 0.0002680700000000, -0.0004033200000000, -0.0001082100000000 ] - [ 0.0000000000000000, -0.0013291900000000, 0.0008276200000000 ] - [ 0.0002658300000000, -0.0004048200000000, 0.0001074400000000 ] - [ -0.0002658300000000, -0.0004048200000000, 0.0001074400000000 ] - [ 0.0000000000000000, 0.0004600100000000, 0.0001849700000000 ] - [ -0.0001868900000000, 0.0002219800000000, -0.0000875100000000 ] - [ 0.0001868900000000, 0.0002219800000000, -0.0000875100000000 ] - [ 0.0000000000000000, -0.0008566300000000, 0.0000005200000000 ] - [ -0.0000004200000000, -0.0004395700000000, 0.0000000200000000 ] - [ 0.0000004200000000, -0.0004395700000000, 0.0000000200000000 ] - [ 0.0000000000000000, 0.0004443100000000, -0.0001858700000000 ] - [ 0.0001890700000000, 0.0002162900000000, 0.0000865600000000 ] - [ -0.0001890700000000, 0.0002162900000000, 0.0000865600000000 ] - [ 0.0000000000000000, 0.0169930800000000, 0.0031111400000000 ] - [ -0.0041909800000000, 0.0010584000000000, 0.0008701200000000 ] - [ 0.0041909800000000, 0.0010584000000000, 0.0008701200000000 ] - [ 0.0000000000000000, -0.0106942000000000, 0.0000001300000000 ] - [ -0.0000060700000000, -0.0020896500000000, 0.0000018600000000 ] - [ 0.0000060700000000, -0.0020896500000000, 0.0000018600000000 ] - [ 0.0000000000000000, 0.0145087800000000, -0.0027164800000000 ] - [ 0.0041808700000000, 0.0010415000000000, -0.0008639000000000 ] - [ -0.0041808700000000, 0.0010415000000000, -0.0008639000000000 ] - [ 0.0000000000000000, 0.0212086700000000, -0.0000475000000000 ] - [ 0.0000198700000000, 0.0020045800000000, 0.0000041600000000 ] - [ -0.0000198700000000, 0.0020045800000000, 0.0000041600000000 ] - [ 0.0000000000000000, -0.0062939100000000, 0.0045964800000000 ] - [ -0.0010480900000000, -0.0010040800000000, 0.0002252900000000 ] - [ 0.0010480900000000, -0.0010040800000000, 0.0002252900000000 ] - [ 0.0000000000000000, -0.0063048400000000, -0.0045422700000000 ] - [ 0.0010406600000000, -0.0010135400000000, -0.0002218700000000 ] - [ -0.0010406600000000, -0.0010135400000000, -0.0002218700000000 ] - [ 0.0000176300000000, 0.0029666900000000, -0.0000147300000000 ] - [ 0.0000000000000000, 0.0011369300000000, -0.0000038000000000 ] - [ -0.0000176300000000, 0.0029666900000000, -0.0000147300000000 ] - [ -0.0010166100000000, -0.0014869300000000, 0.0003128600000000 ] - [ 0.0000000000000000, -0.0005667000000000, 0.0001666700000000 ] - [ 0.0010166100000000, -0.0014869300000000, 0.0003128600000000 ] - [ 0.0010092200000000, -0.0015005800000000, -0.0003105900000000 ] - [ 0.0000000000000000, -0.0005731500000000, -0.0001671100000000 ] - [ -0.0010092200000000, -0.0015005800000000, -0.0003105900000000 ] - [ -0.0039451600000000, 0.0012602000000000, -0.0048575700000000 ] - [ 0.0000000000000000, 0.0005889700000000, -0.0007423900000000 ] - [ 0.0039451600000000, 0.0012602000000000, -0.0048575700000000 ] - [ -0.0000058500000000, -0.0030409300000000, -0.0000072400000000 ] - [ 0.0000000000000000, -0.0011550700000000, -0.0000027000000000 ] - [ 0.0000058500000000, -0.0030409300000000, -0.0000072400000000 ] - [ 0.0039333800000000, 0.0012197800000000, 0.0048382600000000 ] - [ 0.0000000000000000, 0.0005809800000000, 0.0007379400000000 ] - [ -0.0039333800000000, 0.0012197800000000, 0.0048382600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0928123300000000 ] - [ 0.0002654500000000, 0.0000000000000000, -0.0125976500000000 ] - [ -0.0002654500000000, 0.0000000000000000, -0.0125976500000000 ] - [ 0.0000000000000000, 0.0040423900000000, -0.0142419800000000 ] - [ 0.0002247300000000, 0.0001529600000000, -0.0117961500000000 ] - [ -0.0002247300000000, 0.0001529600000000, -0.0117961500000000 ] - [ 0.0000000000000000, -0.0040423900000000, -0.0142419800000000 ] - [ 0.0002247300000000, -0.0001529600000000, -0.0117961500000000 ] - [ -0.0002247300000000, -0.0001529600000000, -0.0117961500000000 ] - [ -0.0089360100000000, 0.0000000000000000, -0.0079854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112089900000000 ] - [ 0.0089360100000000, 0.0000000000000000, -0.0079854700000000 ] - [ -0.0006070700000000, -0.0005444400000000, -0.0113511200000000 ] - [ 0.0000000000000000, -0.0001038400000000, -0.0113961200000000 ] - [ 0.0006070700000000, -0.0005444400000000, -0.0113511200000000 ] - [ -0.0006070700000000, 0.0005444400000000, -0.0113511200000000 ] - [ 0.0000000000000000, 0.0001038400000000, -0.0113961200000000 ] - [ 0.0006070700000000, 0.0005444400000000, -0.0113511200000000 ] - [ 0.0030030700000000, 0.0019111700000000, 0.0100855300000000 ] - [ 0.0000000000000000, -0.0000266900000000, 0.0113603400000000 ] - [ -0.0030030700000000, 0.0019111700000000, 0.0100855300000000 ] - [ 0.0003413400000000, 0.0000000000000000, 0.0113599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0113928300000000 ] - [ -0.0003413400000000, 0.0000000000000000, 0.0113599000000000 ] - [ 0.0030030700000000, -0.0019111700000000, 0.0100855300000000 ] - [ 0.0000000000000000, 0.0000266900000000, 0.0113603400000000 ] - [ -0.0030030700000000, -0.0019111700000000, 0.0100855300000000 ] - [ 0.0000000000000000, -0.0135318300000000, 0.0125523100000000 ] - [ -0.0003751200000000, -0.0007342500000000, 0.0106944000000000 ] - [ 0.0003751200000000, -0.0007342500000000, 0.0106944000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101304400000000 ] - [ -0.0000664000000000, 0.0000000000000000, 0.0111384100000000 ] - [ 0.0000664000000000, 0.0000000000000000, 0.0111384100000000 ] - [ 0.0000000000000000, 0.0135318300000000, 0.0125523100000000 ] - [ -0.0003751200000000, 0.0007342500000000, 0.0106944000000000 ] - [ 0.0003751200000000, 0.0007342500000000, 0.0106944000000000 ] - [ -0.0004347100000000, -0.0010101400000000, -0.0095708900000000 ] - [ 0.0000000000000000, -0.0002958300000000, -0.0110462000000000 ] - [ 0.0004347100000000, -0.0010101400000000, -0.0095708900000000 ] - [ -0.0000574700000000, 0.0000000000000000, -0.0109382200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112456600000000 ] - [ 0.0000574700000000, 0.0000000000000000, -0.0109382200000000 ] - [ -0.0004347100000000, 0.0010101400000000, -0.0095708900000000 ] - [ 0.0000000000000000, 0.0002958300000000, -0.0110462000000000 ] - [ 0.0004347100000000, 0.0010101400000000, -0.0095708900000000 ] - [ 0.0000000000000000, 0.0048245800000000, -0.0079974900000000 ] - [ 0.0007671200000000, 0.0000605000000000, -0.0113537300000000 ] - [ -0.0007671200000000, 0.0000605000000000, -0.0113537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112097900000000 ] - [ 0.0001743700000000, 0.0000000000000000, -0.0113943500000000 ] - [ -0.0001743700000000, 0.0000000000000000, -0.0113943500000000 ] - [ 0.0000000000000000, -0.0048245800000000, -0.0079974900000000 ] - [ 0.0007671200000000, -0.0000605000000000, -0.0113537300000000 ] - [ -0.0007671200000000, -0.0000605000000000, -0.0113537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302631400000000 ] - [ -0.0011790000000000, 0.0000000000000000, 0.0121234400000000 ] - [ 0.0011790000000000, 0.0000000000000000, 0.0121234400000000 ] - [ 0.0000000000000000, -0.0004626900000000, 0.0121248900000000 ] - [ -0.0000886100000000, -0.0000994700000000, 0.0115248800000000 ] - [ 0.0000886100000000, -0.0000994700000000, 0.0115248800000000 ] - [ 0.0000000000000000, 0.0004626900000000, 0.0121248900000000 ] - [ -0.0000886100000000, 0.0000994700000000, 0.0115248800000000 ] - [ 0.0000886100000000, 0.0000994700000000, 0.0115248800000000 ] - [ 0.0019039700000000, 0.0000000000000000, 0.0161756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0118721800000000 ] - [ -0.0019039700000000, 0.0000000000000000, 0.0161756400000000 ] - [ 0.0003720000000000, 0.0005669900000000, 0.0121665600000000 ] - [ 0.0000000000000000, 0.0000234300000000, 0.0116014400000000 ] - [ -0.0003720000000000, 0.0005669900000000, 0.0121665600000000 ] - [ 0.0003720000000000, -0.0005669900000000, 0.0121665600000000 ] - [ 0.0000000000000000, -0.0000234300000000, 0.0116014400000000 ] - [ -0.0003720000000000, -0.0005669900000000, 0.0121665600000000 ] - [ 0.0012334900000000, 0.0012158000000000, 0.0001682200000000 ] - [ 0.0000000000000000, 0.0001471100000000, 0.0000870500000000 ] - [ -0.0012334900000000, 0.0012158000000000, 0.0001682200000000 ] - [ 0.0000563300000000, 0.0000000000000000, 0.0001287200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451900000000 ] - [ -0.0000563300000000, 0.0000000000000000, 0.0001287200000000 ] - [ 0.0012334900000000, -0.0012158000000000, 0.0001682200000000 ] - [ 0.0000000000000000, -0.0001471100000000, 0.0000870500000000 ] - [ -0.0012334900000000, -0.0012158000000000, 0.0001682200000000 ] - [ 0.0003207600000000, 0.0000000000000000, 0.0042306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001648800000000 ] - [ -0.0003207600000000, 0.0000000000000000, 0.0042306400000000 ] - [ -0.0002109500000000, -0.0002107700000000, 0.0002705800000000 ] - [ 0.0000000000000000, -0.0000076300000000, 0.0000670600000000 ] - [ 0.0002109500000000, -0.0002107700000000, 0.0002705800000000 ] - [ -0.0002109500000000, 0.0002107700000000, 0.0002705800000000 ] - [ 0.0000000000000000, 0.0000076300000000, 0.0000670600000000 ] - [ 0.0002109500000000, 0.0002107700000000, 0.0002705800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0090776600000000 ] - [ -0.0003448100000000, 0.0000000000000000, -0.0001934200000000 ] - [ 0.0003448100000000, 0.0000000000000000, -0.0001934200000000 ] - [ 0.0000000000000000, -0.0004937700000000, -0.0003196600000000 ] - [ -0.0000982400000000, -0.0000480800000000, -0.0000931600000000 ] - [ 0.0000982400000000, -0.0000480800000000, -0.0000931600000000 ] - [ 0.0000000000000000, 0.0004937700000000, -0.0003196600000000 ] - [ -0.0000982400000000, 0.0000480800000000, -0.0000931600000000 ] - [ 0.0000982400000000, 0.0000480800000000, -0.0000931600000000 ] - [ 0.0000000000000000, 0.0011012200000000, -0.0015095800000000 ] - [ 0.0001039300000000, 0.0001801500000000, -0.0002441100000000 ] - [ -0.0001039300000000, 0.0001801500000000, -0.0002441100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001919300000000 ] - [ 0.0000032700000000, 0.0000000000000000, -0.0000805000000000 ] - [ -0.0000032700000000, 0.0000000000000000, -0.0000805000000000 ] - [ 0.0000000000000000, -0.0011012200000000, -0.0015095800000000 ] - [ 0.0001039300000000, -0.0001801500000000, -0.0002441100000000 ] - [ -0.0001039300000000, -0.0001801500000000, -0.0002441100000000 ] - [ 0.0000000000000000, -0.0028218500000000, 0.0179658200000000 ] - [ -0.0012077400000000, 0.0001400900000000, 0.0010084000000000 ] - [ 0.0012077400000000, 0.0001400900000000, 0.0010084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013748700000000 ] - [ -0.0002052200000000, 0.0000000000000000, 0.0002834600000000 ] - [ 0.0002052200000000, 0.0000000000000000, 0.0002834600000000 ] - [ 0.0000000000000000, 0.0028218500000000, 0.0179658200000000 ] - [ -0.0012077400000000, -0.0001400900000000, 0.0010084000000000 ] - [ 0.0012077400000000, -0.0001400900000000, 0.0010084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0252664200000000 ] - [ 0.0031196400000000, 0.0000000000000000, 0.0011756600000000 ] - [ -0.0031196400000000, 0.0000000000000000, 0.0011756600000000 ] - [ 0.0000000000000000, 0.0040729100000000, 0.0013072200000000 ] - [ 0.0002612800000000, 0.0003430000000000, 0.0003381000000000 ] - [ -0.0002612800000000, 0.0003430000000000, 0.0003381000000000 ] - [ 0.0000000000000000, -0.0040729100000000, 0.0013072200000000 ] - [ 0.0002612800000000, -0.0003430000000000, 0.0003381000000000 ] - [ -0.0002612800000000, -0.0003430000000000, 0.0003381000000000 ] - [ 0.0040919200000000, 0.0000000000000000, -0.0058093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007967200000000 ] - [ -0.0040919200000000, 0.0000000000000000, -0.0058093600000000 ] - [ 0.0002249000000000, 0.0005117700000000, -0.0010087900000000 ] - [ 0.0000000000000000, 0.0001520800000000, -0.0002459800000000 ] - [ -0.0002249000000000, 0.0005117700000000, -0.0010087900000000 ] - [ 0.0002249000000000, -0.0005117700000000, -0.0010087900000000 ] - [ 0.0000000000000000, -0.0001520800000000, -0.0002459800000000 ] - [ -0.0002249000000000, -0.0005117700000000, -0.0010087900000000 ] - [ -0.0029419600000000, -0.0016625400000000, -0.0028419200000000 ] - [ 0.0000000000000000, 0.0001073100000000, -0.0004207500000000 ] - [ 0.0029419600000000, -0.0016625400000000, -0.0028419200000000 ] - [ -0.0002246200000000, 0.0000000000000000, -0.0003958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001729900000000 ] - [ 0.0002246200000000, 0.0000000000000000, -0.0003958800000000 ] - [ -0.0029419600000000, 0.0016625400000000, -0.0028419200000000 ] - [ 0.0000000000000000, -0.0001073100000000, -0.0004207500000000 ] - [ 0.0029419600000000, 0.0016625400000000, -0.0028419200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0731062900000000 ] - [ -0.0002729100000000, 0.0000000000000000, -0.0102043900000000 ] - [ 0.0002729100000000, 0.0000000000000000, -0.0102043900000000 ] - [ 0.0000000000000000, -0.0041101600000000, -0.0085225500000000 ] - [ -0.0002270600000000, -0.0001550600000000, -0.0110125500000000 ] - [ 0.0002270600000000, -0.0001550600000000, -0.0110125500000000 ] - [ 0.0000000000000000, 0.0041101600000000, -0.0085225500000000 ] - [ -0.0002270600000000, 0.0001550600000000, -0.0110125500000000 ] - [ 0.0002270600000000, 0.0001550600000000, -0.0110125500000000 ] - [ 0.0090401500000000, 0.0000000000000000, -0.0148159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0116046500000000 ] - [ -0.0090401500000000, 0.0000000000000000, -0.0148159400000000 ] - [ 0.0006082000000000, 0.0005475800000000, -0.0114581300000000 ] - [ 0.0000000000000000, 0.0001052700000000, -0.0114174400000000 ] - [ -0.0006082000000000, 0.0005475800000000, -0.0114581300000000 ] - [ 0.0006082000000000, -0.0005475800000000, -0.0114581300000000 ] - [ 0.0000000000000000, -0.0001052700000000, -0.0114174400000000 ] - [ -0.0006082000000000, -0.0005475800000000, -0.0114581300000000 ] - [ -0.0030463200000000, -0.0019319200000000, 0.0126915800000000 ] - [ 0.0000000000000000, 0.0000272300000000, 0.0114492900000000 ] - [ 0.0030463200000000, -0.0019319200000000, 0.0126915800000000 ] - [ -0.0003468500000000, 0.0000000000000000, 0.0114489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0114172100000000 ] - [ 0.0003468500000000, 0.0000000000000000, 0.0114489300000000 ] - [ -0.0030463200000000, 0.0019319200000000, 0.0126915800000000 ] - [ 0.0000000000000000, -0.0000272300000000, 0.0114492900000000 ] - [ 0.0030463200000000, 0.0019319200000000, 0.0126915800000000 ] - [ 0.0000000000000000, 0.0136633000000000, 0.0103067000000000 ] - [ 0.0003774400000000, 0.0007413600000000, 0.0121207900000000 ] - [ -0.0003774400000000, 0.0007413600000000, 0.0121207900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0126973500000000 ] - [ 0.0000676900000000, 0.0000000000000000, 0.0116710300000000 ] - [ -0.0000676900000000, 0.0000000000000000, 0.0116710300000000 ] - [ 0.0000000000000000, -0.0136633000000000, 0.0103067000000000 ] - [ 0.0003774400000000, -0.0007413600000000, 0.0121207900000000 ] - [ -0.0003774400000000, -0.0007413600000000, 0.0121207900000000 ] - [ 0.0004432200000000, 0.0010272600000000, -0.0132464600000000 ] - [ 0.0000000000000000, 0.0003000200000000, -0.0117660200000000 ] - [ -0.0004432200000000, 0.0010272600000000, -0.0132464600000000 ] - [ 0.0000579700000000, 0.0000000000000000, -0.0118725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0115639000000000 ] - [ -0.0000579700000000, 0.0000000000000000, -0.0118725900000000 ] - [ 0.0004432200000000, -0.0010272600000000, -0.0132464600000000 ] - [ 0.0000000000000000, -0.0003000200000000, -0.0117660200000000 ] - [ -0.0004432200000000, -0.0010272600000000, -0.0132464600000000 ] - [ 0.0000000000000000, -0.0047667900000000, -0.0148284800000000 ] - [ -0.0007670100000000, -0.0000582200000000, -0.0114613000000000 ] - [ 0.0007670100000000, -0.0000582200000000, -0.0114613000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0116056500000000 ] - [ -0.0001746800000000, 0.0000000000000000, -0.0114160800000000 ] - [ 0.0001746800000000, 0.0000000000000000, -0.0114160800000000 ] - [ 0.0000000000000000, 0.0047667900000000, -0.0148284800000000 ] - [ -0.0007670100000000, 0.0000582200000000, -0.0114613000000000 ] - [ 0.0007670100000000, 0.0000582200000000, -0.0114613000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077345000000000 ] - [ 0.0011964600000000, 0.0000000000000000, 0.0106879300000000 ] - [ -0.0011964600000000, 0.0000000000000000, 0.0106879300000000 ] - [ 0.0000000000000000, 0.0004680500000000, 0.0106893100000000 ] - [ 0.0000911700000000, 0.0001006800000000, 0.0112857900000000 ] - [ -0.0000911700000000, 0.0001006800000000, 0.0112857900000000 ] - [ 0.0000000000000000, -0.0004680500000000, 0.0106893100000000 ] - [ 0.0000911700000000, -0.0001006800000000, 0.0112857900000000 ] - [ -0.0000911700000000, -0.0001006800000000, 0.0112857900000000 ] - [ -0.0018774300000000, 0.0000000000000000, 0.0066319600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109365300000000 ] - [ 0.0018774300000000, 0.0000000000000000, 0.0066319600000000 ] - [ -0.0003701000000000, -0.0005638200000000, 0.0106415100000000 ] - [ 0.0000000000000000, -0.0000228000000000, 0.0112125300000000 ] - [ 0.0003701000000000, -0.0005638200000000, 0.0106415100000000 ] - [ -0.0003701000000000, 0.0005638200000000, 0.0106415100000000 ] - [ 0.0000000000000000, 0.0000228000000000, 0.0112125300000000 ] - [ 0.0003701000000000, 0.0005638200000000, 0.0106415100000000 ] - [ -0.0012376000000000, -0.0012246700000000, -0.0001797800000000 ] - [ 0.0000000000000000, -0.0001481700000000, -0.0000901400000000 ] - [ 0.0012376000000000, -0.0012246700000000, -0.0001797800000000 ] - [ -0.0000532400000000, 0.0000000000000000, -0.0001310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000461000000000 ] - [ 0.0000532400000000, 0.0000000000000000, -0.0001310600000000 ] - [ -0.0012376000000000, 0.0012246700000000, -0.0001797800000000 ] - [ 0.0000000000000000, 0.0001481700000000, -0.0000901400000000 ] - [ 0.0012376000000000, 0.0012246700000000, -0.0001797800000000 ] - [ -0.0003264300000000, 0.0000000000000000, -0.0042420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001652200000000 ] - [ 0.0003264300000000, 0.0000000000000000, -0.0042420100000000 ] - [ 0.0002167700000000, 0.0002135300000000, -0.0002713400000000 ] - [ 0.0000000000000000, 0.0000069300000000, -0.0000674400000000 ] - [ -0.0002167700000000, 0.0002135300000000, -0.0002713400000000 ] - [ 0.0002167700000000, -0.0002135300000000, -0.0002713400000000 ] - [ 0.0000000000000000, -0.0000069300000000, -0.0000674400000000 ] - [ -0.0002167700000000, -0.0002135300000000, -0.0002713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0091199100000000 ] - [ 0.0003436100000000, 0.0000000000000000, 0.0001986400000000 ] - [ -0.0003436100000000, 0.0000000000000000, 0.0001986400000000 ] - [ 0.0000000000000000, 0.0004944300000000, 0.0003275400000000 ] - [ 0.0000983300000000, 0.0000476000000000, 0.0000953600000000 ] - [ -0.0000983300000000, 0.0000476000000000, 0.0000953600000000 ] - [ 0.0000000000000000, -0.0004944300000000, 0.0003275400000000 ] - [ 0.0000983300000000, -0.0000476000000000, 0.0000953600000000 ] - [ -0.0000983300000000, -0.0000476000000000, 0.0000953600000000 ] - [ 0.0000000000000000, -0.0011180200000000, 0.0015152200000000 ] - [ -0.0001048200000000, -0.0001828800000000, 0.0002454800000000 ] - [ 0.0001048200000000, -0.0001828800000000, 0.0002454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001924000000000 ] - [ -0.0000028600000000, 0.0000000000000000, 0.0000815000000000 ] - [ 0.0000028600000000, 0.0000000000000000, 0.0000815000000000 ] - [ 0.0000000000000000, 0.0011180200000000, 0.0015152200000000 ] - [ -0.0001048200000000, 0.0001828800000000, 0.0002454800000000 ] - [ 0.0001048200000000, 0.0001828800000000, 0.0002454800000000 ] - [ 0.0000000000000000, 0.0028791900000000, -0.0180203900000000 ] - [ 0.0012275100000000, -0.0001407600000000, -0.0010130200000000 ] - [ -0.0012275100000000, -0.0001407600000000, -0.0010130200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013771900000000 ] - [ 0.0002091600000000, 0.0000000000000000, -0.0002824100000000 ] - [ -0.0002091600000000, 0.0000000000000000, -0.0002824100000000 ] - [ 0.0000000000000000, -0.0028791900000000, -0.0180203900000000 ] - [ 0.0012275100000000, 0.0001407600000000, -0.0010130200000000 ] - [ -0.0012275100000000, 0.0001407600000000, -0.0010130200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0280985900000000 ] - [ -0.0031404900000000, 0.0000000000000000, -0.0011922300000000 ] - [ 0.0031404900000000, 0.0000000000000000, -0.0011922300000000 ] - [ 0.0000000000000000, -0.0040931500000000, -0.0013368900000000 ] - [ -0.0002604500000000, -0.0003467100000000, -0.0003414600000000 ] - [ 0.0002604500000000, -0.0003467100000000, -0.0003414600000000 ] - [ 0.0000000000000000, 0.0040931500000000, -0.0013368900000000 ] - [ -0.0002604500000000, 0.0003467100000000, -0.0003414600000000 ] - [ 0.0002604500000000, 0.0003467100000000, -0.0003414600000000 ] - [ -0.0041479600000000, 0.0000000000000000, 0.0058304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008031900000000 ] - [ 0.0041479600000000, 0.0000000000000000, 0.0058304200000000 ] - [ -0.0002271100000000, -0.0005219300000000, 0.0010094400000000 ] - [ 0.0000000000000000, -0.0001546900000000, 0.0002461000000000 ] - [ 0.0002271100000000, -0.0005219300000000, 0.0010094400000000 ] - [ -0.0002271100000000, 0.0005219300000000, 0.0010094400000000 ] - [ 0.0000000000000000, 0.0001546900000000, 0.0002461000000000 ] - [ 0.0002271100000000, 0.0005219300000000, 0.0010094400000000 ] - [ 0.0029259600000000, 0.0016388900000000, 0.0028717700000000 ] - [ 0.0000000000000000, -0.0001087300000000, 0.0004258900000000 ] - [ -0.0029259600000000, 0.0016388900000000, 0.0028717700000000 ] - [ 0.0002286500000000, 0.0000000000000000, 0.0004018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001746600000000 ] - [ -0.0002286500000000, 0.0000000000000000, 0.0004018300000000 ] - [ 0.0029259600000000, -0.0016388900000000, 0.0028717700000000 ] - [ 0.0000000000000000, 0.0001087300000000, 0.0004258900000000 ] - [ -0.0029259600000000, -0.0016388900000000, 0.0028717700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001188200000000, -0.0015785800000000, -0.0101733700000000 ] - [ -0.0001179500000000, 0.0015824500000000, -0.0126444800000000 ] - [ -0.0004289700000000, -0.0000002900000000, -0.0114059800000000 ] - [ -0.0001188200000000, 0.0015785800000000, -0.0101733700000000 ] - [ -0.0001179500000000, -0.0015824500000000, -0.0126444800000000 ] - [ -0.0004289700000000, 0.0000002900000000, -0.0114059800000000 ] - [ 0.0000953900000000, 0.0000000000000000, -0.0113523800000000 ] - [ 0.0000965300000000, 0.0000000000000000, -0.0114606700000000 ] - [ -0.0001952400000000, 0.0000000000000000, -0.0114063800000000 ] - [ 0.0059876100000000, 0.0000301000000000, -0.0114017100000000 ] - [ -0.0014801300000000, 0.0005050500000000, -0.0111961600000000 ] - [ -0.0014790100000000, -0.0005093900000000, -0.0116199200000000 ] - [ 0.0059876100000000, -0.0000301000000000, -0.0114017100000000 ] - [ -0.0014801300000000, -0.0005050500000000, -0.0111961600000000 ] - [ -0.0014790100000000, 0.0005093900000000, -0.0116199200000000 ] - [ 0.0006186800000000, 0.0000000000000000, -0.0114063000000000 ] - [ -0.0003070900000000, 0.0000000000000000, -0.0114002600000000 ] - [ -0.0003076600000000, 0.0000000000000000, -0.0114129600000000 ] - [ 0.0046366100000000, 0.0000000000000000, 0.0114134300000000 ] - [ -0.0013288500000000, 0.0000000000000000, 0.0109148100000000 ] - [ -0.0013312500000000, 0.0000000000000000, 0.0119016200000000 ] - [ 0.0007968900000000, 0.0000005700000000, 0.0114054600000000 ] - [ -0.0004038300000000, -0.0001462800000000, 0.0113574600000000 ] - [ -0.0004039800000000, 0.0001466900000000, 0.0114529700000000 ] - [ 0.0007968900000000, -0.0000005700000000, 0.0114054600000000 ] - [ -0.0004038300000000, 0.0001462800000000, 0.0113574600000000 ] - [ -0.0004039800000000, -0.0001466900000000, 0.0114529700000000 ] - [ 0.0121527100000000, 0.0000000000000000, 0.0111588800000000 ] - [ 0.0132082900000000, 0.0000000000000000, 0.0118124000000000 ] - [ -0.0006983300000000, 0.0000000000000000, 0.0114030400000000 ] - [ 0.0001940200000000, 0.0012168200000000, 0.0116164800000000 ] - [ 0.0001970200000000, -0.0012221100000000, 0.0111890400000000 ] - [ -0.0003248100000000, 0.0000004600000000, 0.0114038600000000 ] - [ 0.0001940200000000, -0.0012168200000000, 0.0116164800000000 ] - [ 0.0001970200000000, 0.0012221100000000, 0.0111890400000000 ] - [ -0.0003248100000000, -0.0000004600000000, 0.0114038600000000 ] - [ 0.0032222600000000, 0.0000000000000000, -0.0114167200000000 ] - [ -0.0005737800000000, 0.0000000000000000, -0.0110608400000000 ] - [ -0.0005731300000000, 0.0000000000000000, -0.0117467800000000 ] - [ 0.0003646300000000, 0.0000015700000000, -0.0114047400000000 ] - [ -0.0002043000000000, -0.0002678900000000, -0.0113054000000000 ] - [ -0.0002040600000000, 0.0002676200000000, -0.0115016800000000 ] - [ 0.0003646300000000, -0.0000015700000000, -0.0114047400000000 ] - [ -0.0002043000000000, 0.0002678900000000, -0.0113054000000000 ] - [ -0.0002040600000000, -0.0002676200000000, -0.0115016800000000 ] - [ 0.0004522500000000, 0.0000000000000000, -0.0102962800000000 ] - [ 0.0004571000000000, 0.0000000000000000, -0.0125141200000000 ] - [ -0.0008555900000000, 0.0000000000000000, -0.0114022700000000 ] - [ 0.0002202000000000, 0.0001418900000000, -0.0112226700000000 ] - [ 0.0002218400000000, -0.0001426500000000, -0.0115857100000000 ] - [ -0.0004366500000000, 0.0000000100000000, -0.0114043500000000 ] - [ 0.0002202000000000, -0.0001418900000000, -0.0112226700000000 ] - [ 0.0002218400000000, 0.0001426500000000, -0.0115857100000000 ] - [ -0.0004366500000000, -0.0000000100000000, -0.0114043500000000 ] - [ 0.0001176000000000, -0.0010749700000000, 0.0101881100000000 ] - [ 0.0001198600000000, 0.0010822700000000, 0.0126278300000000 ] - [ -0.0009692100000000, 0.0000001800000000, 0.0114049700000000 ] - [ 0.0001176000000000, 0.0010749700000000, 0.0101881100000000 ] - [ 0.0001198600000000, -0.0010822700000000, 0.0126278300000000 ] - [ -0.0009692100000000, -0.0000001800000000, 0.0114049700000000 ] - [ 0.0001910500000000, 0.0000000000000000, 0.0112586400000000 ] - [ 0.0001927200000000, 0.0000000000000000, 0.0115516200000000 ] - [ -0.0003839400000000, 0.0000000000000000, 0.0114050700000000 ] - [ 0.0004628500000000, -0.0000020000000000, 0.0114057000000000 ] - [ -0.0002425300000000, 0.0001874800000000, 0.0115115500000000 ] - [ -0.0002424100000000, -0.0001881300000000, 0.0113021300000000 ] - [ 0.0004628500000000, 0.0000020000000000, 0.0114057000000000 ] - [ -0.0002425300000000, -0.0001874800000000, 0.0115115500000000 ] - [ -0.0002424100000000, 0.0001881300000000, 0.0113021300000000 ] - [ 0.0001976100000000, 0.0000000000000000, 0.0114073800000000 ] - [ -0.0000962600000000, 0.0000000000000000, 0.0114104800000000 ] - [ -0.0000966200000000, 0.0000000000000000, 0.0114025000000000 ] - [ -0.0631991300000000, 0.0000000000000000, -0.0002159500000000 ] - [ 0.0010459700000000, 0.0000000000000000, -0.0000288600000000 ] - [ 0.0010440600000000, 0.0000000000000000, 0.0000327100000000 ] - [ -0.0003456700000000, -0.0000010100000000, -0.0000001200000000 ] - [ 0.0001805300000000, 0.0001337400000000, 0.0000083900000000 ] - [ 0.0001795700000000, -0.0001332600000000, -0.0000095000000000 ] - [ -0.0003456700000000, 0.0000010100000000, -0.0000001200000000 ] - [ 0.0001805300000000, -0.0001337400000000, 0.0000083900000000 ] - [ 0.0001795700000000, 0.0001332600000000, -0.0000095000000000 ] - [ -0.0011012500000000, 0.0000040800000000, -0.0000044100000000 ] - [ 0.0003494300000000, -0.0001650100000000, 0.0001350300000000 ] - [ 0.0003497600000000, 0.0001666900000000, -0.0001354000000000 ] - [ -0.0011012500000000, -0.0000040800000000, -0.0000044100000000 ] - [ 0.0003494300000000, 0.0001650100000000, 0.0001350300000000 ] - [ 0.0003497600000000, -0.0001666900000000, -0.0001354000000000 ] - [ -0.0002150700000000, 0.0000000000000000, 0.0000003000000000 ] - [ 0.0001105900000000, 0.0000000000000000, 0.0000083300000000 ] - [ 0.0001087600000000, 0.0000000000000000, -0.0000089800000000 ] - [ -0.0001204000000000, 0.0000817200000000, -0.0000427300000000 ] - [ -0.0001213100000000, -0.0000806500000000, 0.0000431900000000 ] - [ 0.0002266100000000, 0.0000004100000000, 0.0000001700000000 ] - [ -0.0001204000000000, -0.0000817200000000, -0.0000427300000000 ] - [ -0.0001213100000000, 0.0000806500000000, 0.0000431900000000 ] - [ 0.0002266100000000, -0.0000004100000000, 0.0000001700000000 ] - [ -0.0000649100000000, 0.0000000000000000, -0.0000290700000000 ] - [ -0.0000652100000000, 0.0000000000000000, 0.0000302000000000 ] - [ 0.0001302700000000, 0.0000000000000000, 0.0000001600000000 ] - [ 0.0011540700000000, 0.0000000000000000, 0.0025619700000000 ] - [ 0.0011594400000000, 0.0000000000000000, -0.0025852600000000 ] - [ 0.0003495500000000, 0.0000000000000000, 0.0000005300000000 ] - [ -0.0001014800000000, -0.0001655100000000, 0.0000726400000000 ] - [ -0.0001021800000000, 0.0001657600000000, -0.0000726400000000 ] - [ 0.0001881700000000, -0.0000000400000000, 0.0000007400000000 ] - [ -0.0001014800000000, 0.0001655100000000, 0.0000726400000000 ] - [ -0.0001021800000000, -0.0001657600000000, -0.0000726400000000 ] - [ 0.0001881700000000, 0.0000000400000000, 0.0000007400000000 ] - [ 0.0025306000000000, 0.0000000000000000, -0.0085353000000000 ] - [ 0.0025518100000000, 0.0000000000000000, 0.0085766000000000 ] - [ 0.0015269200000000, 0.0000000000000000, -0.0000005900000000 ] - [ -0.0003136400000000, -0.0008252900000000, -0.0004627200000000 ] - [ -0.0003151200000000, 0.0008262600000000, 0.0004649400000000 ] - [ 0.0006177700000000, -0.0000005500000000, 0.0000002200000000 ] - [ -0.0003136400000000, 0.0008252900000000, -0.0004627200000000 ] - [ -0.0003151200000000, -0.0008262600000000, 0.0004649400000000 ] - [ 0.0006177700000000, 0.0000005500000000, 0.0000002200000000 ] - [ 0.0048331600000000, 0.0110440400000000, 0.0004392500000000 ] - [ 0.0048769100000000, -0.0111334200000000, -0.0004315600000000 ] - [ 0.0015970200000000, 0.0000007700000000, 0.0000008700000000 ] - [ 0.0048331600000000, -0.0110440400000000, 0.0004392500000000 ] - [ 0.0048769100000000, 0.0111334200000000, -0.0004315600000000 ] - [ 0.0015970200000000, -0.0000007700000000, 0.0000008700000000 ] - [ -0.0002253900000000, 0.0000000000000000, 0.0002117700000000 ] - [ -0.0002258900000000, 0.0000000000000000, -0.0002107800000000 ] - [ 0.0004859500000000, 0.0000000000000000, 0.0000009000000000 ] - [ -0.0032113100000000, 0.0000128900000000, 0.0000122300000000 ] - [ 0.0011032800000000, -0.0004294800000000, -0.0004545400000000 ] - [ 0.0011004200000000, 0.0004295800000000, 0.0004554100000000 ] - [ -0.0032113100000000, -0.0000128900000000, 0.0000122300000000 ] - [ 0.0011032800000000, 0.0004294800000000, -0.0004545400000000 ] - [ 0.0011004200000000, -0.0004295800000000, 0.0004554100000000 ] - [ -0.0004954000000000, 0.0000000000000000, -0.0000011200000000 ] - [ 0.0002485000000000, 0.0000000000000000, 0.0000064700000000 ] - [ 0.0002497400000000, 0.0000000000000000, -0.0000066500000000 ] - [ -0.0013735600000000, 0.0000000000000000, -0.0000009900000000 ] - [ 0.0006927900000000, 0.0000000000000000, 0.0000526100000000 ] - [ 0.0006941800000000, 0.0000000000000000, -0.0000565400000000 ] - [ -0.0006349800000000, -0.0000007400000000, -0.0000003600000000 ] - [ 0.0003210900000000, 0.0002073500000000, -0.0000530000000000 ] - [ 0.0003217000000000, -0.0002074600000000, 0.0000513400000000 ] - [ -0.0006349800000000, 0.0000007400000000, -0.0000003600000000 ] - [ 0.0003210900000000, -0.0002073500000000, -0.0000530000000000 ] - [ 0.0003217000000000, 0.0002074600000000, 0.0000513400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009325200000000, 0.0012760400000000, -0.0112289200000000 ] - [ -0.0009325200000000, 0.0012760400000000, -0.0112289200000000 ] - [ 0.0000000000000000, 0.0001288600000000, -0.0113174800000000 ] - [ 0.0009325200000000, -0.0012760400000000, -0.0112289200000000 ] - [ -0.0009325200000000, -0.0012760400000000, -0.0112289200000000 ] - [ 0.0000000000000000, -0.0001288600000000, -0.0113174800000000 ] - [ 0.0000117600000000, 0.0000000000000000, -0.0112762400000000 ] - [ -0.0000117600000000, 0.0000000000000000, -0.0112762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113610000000000 ] - [ 0.0000000000000000, 0.0012852200000000, -0.0071698500000000 ] - [ 0.0000624500000000, 0.0000944100000000, -0.0111381400000000 ] - [ -0.0000624500000000, 0.0000944100000000, -0.0111381400000000 ] - [ 0.0000000000000000, -0.0012852200000000, -0.0071698500000000 ] - [ 0.0000624500000000, -0.0000944100000000, -0.0111381400000000 ] - [ -0.0000624500000000, -0.0000944100000000, -0.0111381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112435900000000 ] - [ 0.0000287700000000, 0.0000000000000000, -0.0113405800000000 ] - [ -0.0000287700000000, 0.0000000000000000, -0.0113405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023173400000000 ] - [ -0.0008356800000000, 0.0000000000000000, 0.0110836000000000 ] - [ 0.0008356800000000, 0.0000000000000000, 0.0110836000000000 ] - [ 0.0000000000000000, -0.0002386500000000, 0.0112116000000000 ] - [ -0.0001077400000000, -0.0001089300000000, 0.0113118500000000 ] - [ 0.0001077400000000, -0.0001089300000000, 0.0113118500000000 ] - [ 0.0000000000000000, 0.0002386500000000, 0.0112116000000000 ] - [ -0.0001077400000000, 0.0001089300000000, 0.0113118500000000 ] - [ 0.0001077400000000, 0.0001089300000000, 0.0113118500000000 ] - [ -0.0012649000000000, 0.0000000000000000, 0.0156390100000000 ] - [ 0.0012649000000000, 0.0000000000000000, 0.0156390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0115688800000000 ] - [ -0.0000975900000000, -0.0000553800000000, 0.0116766900000000 ] - [ 0.0000975900000000, -0.0000553800000000, 0.0116766900000000 ] - [ 0.0000000000000000, -0.0000271300000000, 0.0114713800000000 ] - [ -0.0000975900000000, 0.0000553800000000, 0.0116766900000000 ] - [ 0.0000975900000000, 0.0000553800000000, 0.0116766900000000 ] - [ 0.0000000000000000, 0.0000271300000000, 0.0114713800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0205109500000000 ] - [ 0.0002375000000000, 0.0000000000000000, -0.0116022800000000 ] - [ -0.0002375000000000, 0.0000000000000000, -0.0116022800000000 ] - [ 0.0000000000000000, 0.0008295700000000, -0.0117292300000000 ] - [ 0.0001088500000000, 0.0001076100000000, -0.0114988400000000 ] - [ -0.0001088500000000, 0.0001076100000000, -0.0114988400000000 ] - [ 0.0000000000000000, -0.0008295700000000, -0.0117292300000000 ] - [ 0.0001088500000000, -0.0001076100000000, -0.0114988400000000 ] - [ -0.0001088500000000, -0.0001076100000000, -0.0114988400000000 ] - [ 0.0001898400000000, 0.0000000000000000, -0.0129160100000000 ] - [ -0.0001898400000000, 0.0000000000000000, -0.0129160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0115950700000000 ] - [ -0.0000865700000000, -0.0000249100000000, -0.0116483100000000 ] - [ 0.0000865700000000, -0.0000249100000000, -0.0116483100000000 ] - [ 0.0000000000000000, -0.0000104200000000, -0.0114856000000000 ] - [ -0.0000865700000000, 0.0000249100000000, -0.0116483100000000 ] - [ 0.0000865700000000, 0.0000249100000000, -0.0116483100000000 ] - [ 0.0000000000000000, 0.0000104200000000, -0.0114856000000000 ] - [ -0.0012687000000000, -0.0009249600000000, 0.0115750500000000 ] - [ 0.0012687000000000, -0.0009249600000000, 0.0115750500000000 ] - [ 0.0000000000000000, -0.0000118400000000, 0.0115348300000000 ] - [ -0.0012687000000000, 0.0009249600000000, 0.0115750500000000 ] - [ 0.0012687000000000, 0.0009249600000000, 0.0115750500000000 ] - [ 0.0000000000000000, 0.0000118400000000, 0.0115348300000000 ] - [ -0.0001285800000000, 0.0000000000000000, 0.0114929900000000 ] - [ 0.0001285800000000, 0.0000000000000000, 0.0114929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0114516600000000 ] - [ 0.0000000000000000, -0.0001807100000000, 0.0098955400000000 ] - [ 0.0000234700000000, 0.0000877100000000, 0.0111622800000000 ] - [ -0.0000234700000000, 0.0000877100000000, 0.0111622800000000 ] - [ 0.0000000000000000, 0.0001807100000000, 0.0098955400000000 ] - [ 0.0000234700000000, -0.0000877100000000, 0.0111622800000000 ] - [ -0.0000234700000000, -0.0000877100000000, 0.0111622800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112152100000000 ] - [ 0.0000103700000000, 0.0000000000000000, 0.0113264300000000 ] - [ -0.0000103700000000, 0.0000000000000000, 0.0113264300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129822600000000 ] - [ 0.0000295600000000, 0.0000000000000000, -0.0001383000000000 ] - [ -0.0000295600000000, 0.0000000000000000, -0.0001383000000000 ] - [ 0.0000000000000000, -0.0000328900000000, -0.0001380400000000 ] - [ -0.0000088100000000, 0.0000090100000000, -0.0000667900000000 ] - [ 0.0000088100000000, 0.0000090100000000, -0.0000667900000000 ] - [ 0.0000000000000000, 0.0000328900000000, -0.0001380400000000 ] - [ -0.0000088100000000, -0.0000090100000000, -0.0000667900000000 ] - [ 0.0000088100000000, -0.0000090100000000, -0.0000667900000000 ] - [ 0.0000000000000000, -0.0025865300000000, 0.0016265600000000 ] - [ 0.0001351500000000, -0.0000718900000000, 0.0000064200000000 ] - [ -0.0001351500000000, -0.0000718900000000, 0.0000064200000000 ] - [ 0.0000000000000000, 0.0025865300000000, 0.0016265600000000 ] - [ 0.0001351500000000, 0.0000718900000000, 0.0000064200000000 ] - [ -0.0001351500000000, 0.0000718900000000, 0.0000064200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000007800000000 ] - [ 0.0000094400000000, 0.0000000000000000, -0.0000028600000000 ] - [ -0.0000094400000000, 0.0000000000000000, -0.0000028600000000 ] - [ 0.0000421700000000, -0.0000434600000000, 0.0003965800000000 ] - [ -0.0000421700000000, -0.0000434600000000, 0.0003965800000000 ] - [ 0.0000000000000000, -0.0000296200000000, 0.0000612500000000 ] - [ 0.0000421700000000, 0.0000434600000000, 0.0003965800000000 ] - [ -0.0000421700000000, 0.0000434600000000, 0.0003965800000000 ] - [ 0.0000000000000000, 0.0000296200000000, 0.0000612500000000 ] - [ 0.0000298600000000, 0.0000000000000000, 0.0000614400000000 ] - [ -0.0000298600000000, 0.0000000000000000, 0.0000614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000310000000000 ] - [ 0.0025606700000000, 0.0000000000000000, 0.0016172500000000 ] - [ -0.0025606700000000, 0.0000000000000000, 0.0016172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018500000000 ] - [ 0.0000723700000000, -0.0001352200000000, 0.0000077000000000 ] - [ -0.0000723700000000, -0.0001352200000000, 0.0000077000000000 ] - [ 0.0000000000000000, -0.0000085600000000, -0.0000013100000000 ] - [ 0.0000723700000000, 0.0001352200000000, 0.0000077000000000 ] - [ -0.0000723700000000, 0.0001352200000000, 0.0000077000000000 ] - [ 0.0000000000000000, 0.0000085600000000, -0.0000013100000000 ] - [ -0.0081512700000000, 0.0000000000000000, 0.0043374700000000 ] - [ 0.0081512700000000, 0.0000000000000000, 0.0043374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625300000000 ] - [ -0.0000283100000000, 0.0006740400000000, 0.0000314800000000 ] - [ 0.0000283100000000, 0.0006740400000000, 0.0000314800000000 ] - [ 0.0000000000000000, 0.0000787900000000, 0.0000005900000000 ] - [ -0.0000283100000000, -0.0006740400000000, 0.0000314800000000 ] - [ 0.0000283100000000, -0.0006740400000000, 0.0000314800000000 ] - [ 0.0000000000000000, -0.0000787900000000, 0.0000005900000000 ] - [ 0.0003483000000000, -0.0003012600000000, -0.0035995600000000 ] - [ -0.0003483000000000, -0.0003012600000000, -0.0035995600000000 ] - [ 0.0000000000000000, -0.0000708300000000, -0.0002370900000000 ] - [ 0.0003483000000000, 0.0003012600000000, -0.0035995600000000 ] - [ -0.0003483000000000, 0.0003012600000000, -0.0035995600000000 ] - [ 0.0000000000000000, 0.0000708300000000, -0.0002370900000000 ] - [ 0.0000714100000000, 0.0000000000000000, -0.0002362400000000 ] - [ -0.0000714100000000, 0.0000000000000000, -0.0002362400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001071100000000 ] - [ 0.0000000000000000, 0.0080628000000000, 0.0043216500000000 ] - [ -0.0006709900000000, 0.0000281300000000, 0.0000359900000000 ] - [ 0.0006709900000000, 0.0000281300000000, 0.0000359900000000 ] - [ 0.0000000000000000, -0.0080628000000000, 0.0043216500000000 ] - [ -0.0006709900000000, -0.0000281300000000, 0.0000359900000000 ] - [ 0.0006709900000000, -0.0000281300000000, 0.0000359900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000593200000000 ] - [ -0.0000791800000000, 0.0000000000000000, 0.0000017600000000 ] - [ 0.0000791800000000, 0.0000000000000000, 0.0000017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076116300000000 ] - [ 0.0000658300000000, 0.0000000000000000, 0.0006269000000000 ] - [ -0.0000658300000000, 0.0000000000000000, 0.0006269000000000 ] - [ 0.0000000000000000, -0.0000616300000000, 0.0006250000000000 ] - [ -0.0000304800000000, 0.0000311100000000, 0.0002353100000000 ] - [ 0.0000304800000000, 0.0000311100000000, 0.0002353100000000 ] - [ 0.0000000000000000, 0.0000616300000000, 0.0006250000000000 ] - [ -0.0000304800000000, -0.0000311100000000, 0.0002353100000000 ] - [ 0.0000304800000000, -0.0000311100000000, 0.0002353100000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0134317600000000, 0.0000566900000000, -0.0113728500000000 ] - [ -0.0033030600000000, 0.0041943700000000, -0.0101854900000000 ] - [ -0.0032907700000000, -0.0041765400000000, -0.0126207100000000 ] - [ 0.0134317600000000, -0.0000566900000000, -0.0113728500000000 ] - [ -0.0033030600000000, -0.0041943700000000, -0.0101854900000000 ] - [ -0.0032907700000000, 0.0041765400000000, -0.0126207100000000 ] - [ 0.0004551800000000, 0.0000000000000000, -0.0114010500000000 ] - [ -0.0003656000000000, 0.0000000000000000, -0.0111979600000000 ] - [ -0.0003684700000000, 0.0000000000000000, -0.0116127400000000 ] - [ 0.0012565300000000, 0.0018477800000000, -0.0097529700000000 ] - [ -0.0030394000000000, 0.0000018600000000, -0.0114055000000000 ] - [ 0.0012224000000000, -0.0018427400000000, -0.0130540800000000 ] - [ 0.0012565300000000, -0.0018477800000000, -0.0097529700000000 ] - [ -0.0030394000000000, -0.0000018600000000, -0.0114055000000000 ] - [ 0.0012224000000000, 0.0018427400000000, -0.0130540800000000 ] - [ 0.0005895400000000, 0.0000000000000000, -0.0115149000000000 ] - [ -0.0011555900000000, 0.0000000000000000, -0.0114069000000000 ] - [ 0.0005804600000000, 0.0000000000000000, -0.0112993300000000 ] - [ 0.0170667200000000, 0.0000000000000000, 0.0087303700000000 ] - [ -0.0106937200000000, 0.0000000000000000, 0.0114079400000000 ] - [ 0.0144393300000000, 0.0000000000000000, 0.0144209500000000 ] - [ 0.0010617500000000, -0.0010626300000000, 0.0115481700000000 ] - [ -0.0020884500000000, -0.0000019900000000, 0.0114046500000000 ] - [ 0.0010373600000000, 0.0010639900000000, 0.0112669400000000 ] - [ 0.0010617500000000, 0.0010626300000000, 0.0115481700000000 ] - [ -0.0020884500000000, 0.0000019900000000, 0.0114046500000000 ] - [ 0.0010373600000000, -0.0010639900000000, 0.0112669400000000 ] - [ 0.0137108200000000, 0.0000000000000000, 0.0114698200000000 ] - [ -0.0028989900000000, 0.0000000000000000, 0.0145388600000000 ] - [ -0.0028874900000000, 0.0000000000000000, 0.0082786200000000 ] - [ 0.0010189900000000, 0.0000127200000000, 0.0114033300000000 ] - [ -0.0004407600000000, -0.0010473000000000, 0.0116641300000000 ] - [ -0.0004441500000000, 0.0010417800000000, 0.0111429800000000 ] - [ 0.0010189900000000, -0.0000127200000000, 0.0114033300000000 ] - [ -0.0004407600000000, 0.0010473000000000, 0.0116641300000000 ] - [ -0.0004441500000000, -0.0010417800000000, 0.0111429800000000 ] - [ 0.0006305000000000, 0.0000000000000000, -0.0155405500000000 ] - [ -0.0015242900000000, 0.0000000000000000, -0.0114049600000000 ] - [ 0.0006223700000000, 0.0000000000000000, -0.0073015400000000 ] - [ 0.0003287100000000, -0.0010148700000000, -0.0116304600000000 ] - [ -0.0006464900000000, -0.0000019900000000, -0.0114038100000000 ] - [ 0.0003245200000000, 0.0010111600000000, -0.0111771600000000 ] - [ 0.0003287100000000, 0.0010148700000000, -0.0116304600000000 ] - [ -0.0006464900000000, 0.0000019900000000, -0.0114038100000000 ] - [ 0.0003245200000000, -0.0010111600000000, -0.0111771600000000 ] - [ 0.0212088900000000, 0.0000000000000000, -0.0115506800000000 ] - [ -0.0063017300000000, 0.0000000000000000, -0.0154900200000000 ] - [ -0.0062958200000000, 0.0000000000000000, -0.0073237000000000 ] - [ 0.0020038700000000, 0.0000032200000000, -0.0113973900000000 ] - [ -0.0010059600000000, -0.0005058900000000, -0.0117485000000000 ] - [ -0.0010111700000000, 0.0005022300000000, -0.0110595700000000 ] - [ 0.0020038700000000, -0.0000032200000000, -0.0113973900000000 ] - [ -0.0010059600000000, 0.0005058900000000, -0.0117485000000000 ] - [ -0.0010111700000000, -0.0005022300000000, -0.0110595700000000 ] - [ 0.0029671700000000, -0.0000024200000000, 0.0113923300000000 ] - [ -0.0014908300000000, 0.0004459900000000, 0.0119218400000000 ] - [ -0.0014961000000000, -0.0004426900000000, 0.0108890000000000 ] - [ 0.0029671700000000, 0.0000024200000000, 0.0113923300000000 ] - [ -0.0014908300000000, -0.0004459900000000, 0.0119218400000000 ] - [ -0.0014961000000000, 0.0004426900000000, 0.0108890000000000 ] - [ 0.0011362800000000, 0.0000000000000000, 0.0114030100000000 ] - [ -0.0005670400000000, 0.0000000000000000, 0.0115575900000000 ] - [ -0.0005711000000000, 0.0000000000000000, 0.0112514800000000 ] - [ 0.0005003200000000, 0.0039490600000000, 0.0084650600000000 ] - [ -0.0015298100000000, 0.0000026400000000, 0.0114056600000000 ] - [ 0.0004880500000000, -0.0039285000000000, 0.0143316100000000 ] - [ 0.0005003200000000, -0.0039490600000000, 0.0084650600000000 ] - [ -0.0015298100000000, -0.0000026400000000, 0.0114056600000000 ] - [ 0.0004880500000000, 0.0039285000000000, 0.0143316100000000 ] - [ 0.0002867100000000, 0.0000000000000000, 0.0111804900000000 ] - [ -0.0005755000000000, 0.0000000000000000, 0.0114060700000000 ] - [ 0.0002827300000000, 0.0000000000000000, 0.0116323500000000 ] - [ 0.0025391400000000, 0.0000000000000000, -0.0081465500000000 ] - [ 0.0015247600000000, 0.0000000000000000, -0.0000001800000000 ] - [ 0.0025386600000000, 0.0000000000000000, 0.0080675200000000 ] - [ -0.0003191400000000, 0.0004300800000000, -0.0000273400000000 ] - [ 0.0006162900000000, 0.0000003200000000, -0.0000004900000000 ] - [ -0.0003134700000000, -0.0004294200000000, 0.0000290200000000 ] - [ -0.0003191400000000, -0.0004300800000000, -0.0000273400000000 ] - [ 0.0006162900000000, -0.0000003200000000, -0.0000004900000000 ] - [ -0.0003134700000000, 0.0004294200000000, 0.0000290200000000 ] - [ 0.0048633900000000, -0.0111433800000000, -0.0003251300000000 ] - [ 0.0015969600000000, -0.0000001500000000, 0.0000001500000000 ] - [ 0.0048457400000000, 0.0110357300000000, 0.0003250400000000 ] - [ 0.0048633900000000, 0.0111433800000000, -0.0003251300000000 ] - [ 0.0015969600000000, 0.0000001500000000, 0.0000001500000000 ] - [ 0.0048457400000000, -0.0110357300000000, 0.0003250400000000 ] - [ -0.0002276200000000, 0.0000000000000000, -0.0000712800000000 ] - [ 0.0004882600000000, 0.0000000000000000, -0.0000002700000000 ] - [ -0.0002248700000000, 0.0000000000000000, 0.0000707400000000 ] - [ -0.0032137400000000, 0.0000093400000000, -0.0000166400000000 ] - [ 0.0011002200000000, -0.0008270300000000, 0.0006741500000000 ] - [ 0.0010988400000000, 0.0008250600000000, -0.0006714300000000 ] - [ -0.0032137400000000, -0.0000093400000000, -0.0000166400000000 ] - [ 0.0011002200000000, 0.0008270300000000, 0.0006741500000000 ] - [ 0.0010988400000000, -0.0008250600000000, -0.0006714300000000 ] - [ -0.0004981900000000, 0.0000000000000000, -0.0000004400000000 ] - [ 0.0002457600000000, 0.0000000000000000, 0.0000786100000000 ] - [ 0.0002486200000000, 0.0000000000000000, -0.0000785500000000 ] - [ -0.0013719500000000, 0.0000000000000000, 0.0000068400000000 ] - [ 0.0006924800000000, 0.0000000000000000, 0.0000633700000000 ] - [ 0.0006931400000000, 0.0000000000000000, -0.0000638700000000 ] - [ -0.0006344700000000, -0.0000000800000000, 0.0000009300000000 ] - [ 0.0003207400000000, 0.0002079200000000, -0.0000310700000000 ] - [ 0.0003213000000000, -0.0002069100000000, 0.0000313600000000 ] - [ -0.0006344700000000, 0.0000000800000000, 0.0000009300000000 ] - [ 0.0003207400000000, -0.0002079200000000, -0.0000310700000000 ] - [ 0.0003213000000000, 0.0002069100000000, 0.0000313600000000 ] - [ -0.1323262000000000, 0.0000000000000000, -0.0005327100000000 ] - [ 0.0230153000000000, 0.0000000000000000, -0.0018779900000000 ] - [ 0.0228832600000000, 0.0000000000000000, 0.0018685400000000 ] - [ -0.0023111900000000, -0.0000324300000000, -0.0000120600000000 ] - [ 0.0013031000000000, 0.0023987300000000, 0.0003940700000000 ] - [ 0.0013123700000000, -0.0023861300000000, -0.0003915800000000 ] - [ -0.0023111900000000, 0.0000324300000000, -0.0000120600000000 ] - [ 0.0013031000000000, -0.0023987300000000, 0.0003940700000000 ] - [ 0.0013123700000000, 0.0023861300000000, -0.0003915800000000 ] - [ -0.0090541400000000, 0.0000634900000000, 0.0000595900000000 ] - [ 0.0028462500000000, -0.0023335300000000, -0.0024434700000000 ] - [ 0.0028500400000000, 0.0023207900000000, 0.0024333000000000 ] - [ -0.0090541400000000, -0.0000634900000000, 0.0000595900000000 ] - [ 0.0028462500000000, 0.0023335300000000, -0.0024434700000000 ] - [ 0.0028500400000000, -0.0023207900000000, 0.0024333000000000 ] - [ -0.0013019600000000, 0.0000000000000000, 0.0000030500000000 ] - [ 0.0006051100000000, 0.0000000000000000, -0.0004530000000000 ] - [ 0.0006108900000000, 0.0000000000000000, 0.0004534400000000 ] - [ -0.0013691000000000, -0.0015568000000000, 0.0008716900000000 ] - [ 0.0026792400000000, -0.0000018200000000, -0.0000002000000000 ] - [ -0.0013524700000000, 0.0015509900000000, -0.0008632700000000 ] - [ -0.0013691000000000, 0.0015568000000000, 0.0008716900000000 ] - [ 0.0026792400000000, 0.0000018200000000, -0.0000002000000000 ] - [ -0.0013524700000000, -0.0015509900000000, -0.0008632700000000 ] - [ -0.0005665300000000, 0.0000000000000000, 0.0003856300000000 ] - [ 0.0011282700000000, 0.0000000000000000, 0.0000002800000000 ] - [ -0.0005596700000000, 0.0000000000000000, -0.0003839400000000 ] - [ 0.0050794500000000, 0.0000000000000000, 0.0314894900000000 ] - [ 0.0068293900000000, 0.0000000000000000, 0.0000002900000000 ] - [ 0.0050242000000000, 0.0000000000000000, -0.0312237300000000 ] - [ -0.0009288500000000, 0.0023318200000000, -0.0000080900000000 ] - [ 0.0018665800000000, 0.0000024200000000, -0.0000005100000000 ] - [ -0.0009159200000000, -0.0023227700000000, 0.0000005100000000 ] - [ -0.0009288500000000, -0.0023318200000000, -0.0000080900000000 ] - [ 0.0018665800000000, -0.0000024200000000, -0.0000005100000000 ] - [ -0.0009159200000000, 0.0023227700000000, 0.0000005100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0029166600000000, 0.0066210100000000 ] - [ -0.0000367700000000, 0.0008612900000000, -0.0103979200000000 ] - [ 0.0000367700000000, 0.0008612900000000, -0.0103979200000000 ] - [ 0.0000000000000000, -0.0029166600000000, 0.0066210100000000 ] - [ -0.0000367700000000, -0.0008612900000000, -0.0103979200000000 ] - [ 0.0000367700000000, -0.0008612900000000, -0.0103979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100360000000000 ] - [ 0.0001278100000000, 0.0000000000000000, -0.0111229000000000 ] - [ -0.0001278100000000, 0.0000000000000000, -0.0111229000000000 ] - [ 0.0048357400000000, -0.0027317500000000, -0.0142616300000000 ] - [ 0.0000000000000000, 0.0000335900000000, -0.0118059900000000 ] - [ -0.0048357400000000, -0.0027317500000000, -0.0142616300000000 ] - [ 0.0048357400000000, 0.0027317500000000, -0.0142616300000000 ] - [ 0.0000000000000000, -0.0000335900000000, -0.0118059900000000 ] - [ -0.0048357400000000, 0.0027317500000000, -0.0142616300000000 ] - [ 0.0007400900000000, 0.0000000000000000, -0.0118291800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0115817000000000 ] - [ -0.0007400900000000, 0.0000000000000000, -0.0118291800000000 ] - [ 0.0029009000000000, 0.0000000000000000, 0.0293640900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0127872800000000 ] - [ -0.0029009000000000, 0.0000000000000000, 0.0293640900000000 ] - [ 0.0008738400000000, 0.0000467400000000, 0.0124190100000000 ] - [ 0.0000000000000000, -0.0001267300000000, 0.0116892800000000 ] - [ -0.0008738400000000, 0.0000467400000000, 0.0124190100000000 ] - [ 0.0008738400000000, -0.0000467400000000, 0.0124190100000000 ] - [ 0.0000000000000000, 0.0001267300000000, 0.0116892800000000 ] - [ -0.0008738400000000, -0.0000467400000000, 0.0124190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0365844700000000 ] - [ 0.0008614000000000, 0.0000000000000000, 0.0125795500000000 ] - [ -0.0008614000000000, 0.0000000000000000, 0.0125795500000000 ] - [ 0.0000000000000000, 0.0045520100000000, 0.0127188400000000 ] - [ 0.0004140200000000, 0.0002229200000000, 0.0117402200000000 ] - [ -0.0004140200000000, 0.0002229200000000, 0.0117402200000000 ] - [ 0.0000000000000000, -0.0045520100000000, 0.0127188400000000 ] - [ 0.0004140200000000, -0.0002229200000000, 0.0117402200000000 ] - [ -0.0004140200000000, -0.0002229200000000, 0.0117402200000000 ] - [ -0.0006651100000000, 0.0000000000000000, -0.0172237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0122040200000000 ] - [ 0.0006651100000000, 0.0000000000000000, -0.0172237900000000 ] - [ 0.0002584600000000, -0.0003149600000000, -0.0124106400000000 ] - [ 0.0000000000000000, -0.0001683300000000, -0.0116495200000000 ] - [ -0.0002584600000000, -0.0003149600000000, -0.0124106400000000 ] - [ 0.0002584600000000, 0.0003149600000000, -0.0124106400000000 ] - [ 0.0000000000000000, 0.0001683300000000, -0.0116495200000000 ] - [ -0.0002584600000000, 0.0003149600000000, -0.0124106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0167818400000000 ] - [ -0.0045864100000000, 0.0000000000000000, -0.0100754500000000 ] - [ 0.0045864100000000, 0.0000000000000000, -0.0100754500000000 ] - [ 0.0000000000000000, -0.0008622100000000, -0.0102125400000000 ] - [ -0.0002237200000000, -0.0004159100000000, -0.0110622600000000 ] - [ 0.0002237200000000, -0.0004159100000000, -0.0110622600000000 ] - [ 0.0000000000000000, 0.0008622100000000, -0.0102125400000000 ] - [ -0.0002237200000000, 0.0004159100000000, -0.0110622600000000 ] - [ 0.0002237200000000, 0.0004159100000000, -0.0110622600000000 ] - [ 0.0000000000000000, -0.0006650600000000, 0.0055847700000000 ] - [ 0.0003087500000000, 0.0002597500000000, 0.0103943200000000 ] - [ -0.0003087500000000, 0.0002597500000000, 0.0103943200000000 ] - [ 0.0000000000000000, 0.0006650600000000, 0.0055847700000000 ] - [ 0.0003087500000000, -0.0002597500000000, 0.0103943200000000 ] - [ -0.0003087500000000, -0.0002597500000000, 0.0103943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106058100000000 ] - [ 0.0001662500000000, 0.0000000000000000, 0.0111580900000000 ] - [ -0.0001662500000000, 0.0000000000000000, 0.0111580900000000 ] - [ -0.0027523100000000, 0.0048601100000000, 0.0085501400000000 ] - [ 0.0000000000000000, 0.0007417900000000, 0.0109848700000000 ] - [ 0.0027523100000000, 0.0048601100000000, 0.0085501400000000 ] - [ -0.0027523100000000, -0.0048601100000000, 0.0085501400000000 ] - [ 0.0000000000000000, -0.0007417900000000, 0.0109848700000000 ] - [ 0.0027523100000000, -0.0048601100000000, 0.0085501400000000 ] - [ 0.0000340400000000, 0.0000000000000000, 0.0110094400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112318400000000 ] - [ -0.0000340400000000, 0.0000000000000000, 0.0110094400000000 ] - [ -0.0085156500000000, 0.0000000000000000, 0.0043154500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597400000000 ] - [ 0.0085156500000000, 0.0000000000000000, 0.0043154500000000 ] - [ -0.0004637000000000, -0.0004540500000000, 0.0000356600000000 ] - [ 0.0000000000000000, 0.0000069100000000, 0.0000011100000000 ] - [ 0.0004637000000000, -0.0004540500000000, 0.0000356600000000 ] - [ -0.0004637000000000, 0.0004540500000000, 0.0000356600000000 ] - [ 0.0000000000000000, -0.0000069100000000, 0.0000011100000000 ] - [ 0.0004637000000000, 0.0004540500000000, 0.0000356600000000 ] - [ -0.0004586400000000, -0.0004132600000000, -0.0036004400000000 ] - [ 0.0000000000000000, -0.0002101600000000, -0.0002368400000000 ] - [ 0.0004586400000000, -0.0004132600000000, -0.0036004400000000 ] - [ -0.0004586400000000, 0.0004132600000000, -0.0036004400000000 ] - [ 0.0000000000000000, 0.0002101600000000, -0.0002368400000000 ] - [ 0.0004586400000000, 0.0004132600000000, -0.0036004400000000 ] - [ -0.0002117600000000, 0.0000000000000000, -0.0002364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093200000000 ] - [ 0.0002117600000000, 0.0000000000000000, -0.0002364500000000 ] - [ 0.0000000000000000, -0.0085986300000000, 0.0043434000000000 ] - [ 0.0004562100000000, -0.0004635700000000, 0.0000318100000000 ] - [ -0.0004562100000000, -0.0004635700000000, 0.0000318100000000 ] - [ 0.0000000000000000, 0.0085986300000000, 0.0043434000000000 ] - [ 0.0004562100000000, 0.0004635700000000, 0.0000318100000000 ] - [ -0.0004562100000000, 0.0004635700000000, 0.0000318100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622600000000 ] - [ -0.0000080500000000, 0.0000000000000000, 0.0000002800000000 ] - [ 0.0000080500000000, 0.0000000000000000, 0.0000002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076136800000000 ] - [ 0.0000551000000000, 0.0000000000000000, 0.0006268400000000 ] - [ -0.0000551000000000, 0.0000000000000000, 0.0006268400000000 ] - [ 0.0000000000000000, -0.0000527400000000, 0.0006259500000000 ] - [ -0.0000511200000000, 0.0000526100000000, 0.0002352200000000 ] - [ 0.0000511200000000, 0.0000526100000000, 0.0002352200000000 ] - [ 0.0000000000000000, 0.0000527400000000, 0.0006259500000000 ] - [ -0.0000511200000000, -0.0000526100000000, 0.0002352200000000 ] - [ 0.0000511200000000, -0.0000526100000000, 0.0002352200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1716780100000000 ] - [ 0.0018483600000000, 0.0000000000000000, -0.0032834500000000 ] - [ -0.0018483600000000, 0.0000000000000000, -0.0032834500000000 ] - [ 0.0000000000000000, -0.0018971400000000, -0.0032771600000000 ] - [ -0.0003959200000000, 0.0003900500000000, -0.0007333600000000 ] - [ 0.0003959200000000, 0.0003900500000000, -0.0007333600000000 ] - [ 0.0000000000000000, 0.0018971400000000, -0.0032771600000000 ] - [ -0.0003959200000000, -0.0003900500000000, -0.0007333600000000 ] - [ 0.0003959200000000, -0.0003900500000000, -0.0007333600000000 ] - [ 0.0000000000000000, 0.0311960800000000, 0.0146387400000000 ] - [ -0.0024324500000000, -0.0000033300000000, -0.0004355300000000 ] - [ 0.0024324500000000, -0.0000033300000000, -0.0004355300000000 ] - [ 0.0000000000000000, -0.0311960800000000, 0.0146387400000000 ] - [ -0.0024324500000000, 0.0000033300000000, -0.0004355300000000 ] - [ 0.0024324500000000, 0.0000033300000000, -0.0004355300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745800000000 ] - [ -0.0004525300000000, 0.0000000000000000, -0.0000028600000000 ] - [ 0.0004525300000000, 0.0000000000000000, -0.0000028600000000 ] - [ -0.0008646400000000, -0.0008712600000000, 0.0062803300000000 ] - [ 0.0000000000000000, -0.0003851000000000, 0.0009312000000000 ] - [ 0.0008646400000000, -0.0008712600000000, 0.0062803300000000 ] - [ -0.0008646400000000, 0.0008712600000000, 0.0062803300000000 ] - [ 0.0000000000000000, 0.0003851000000000, 0.0009312000000000 ] - [ 0.0008646400000000, 0.0008712600000000, 0.0062803300000000 ] - [ -0.0003850500000000, 0.0000000000000000, 0.0009302800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004002700000000 ] - [ 0.0003850500000000, 0.0000000000000000, 0.0009302800000000 ] - [ 0.0315173600000000, 0.0000000000000000, 0.0147716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002625400000000 ] - [ -0.0315173600000000, 0.0000000000000000, 0.0147716600000000 ] - [ -0.0000053100000000, 0.0024441600000000, -0.0004529500000000 ] - [ 0.0000000000000000, 0.0004538700000000, -0.0000082200000000 ] - [ 0.0000053100000000, 0.0024441600000000, -0.0004529500000000 ] - [ -0.0000053100000000, -0.0024441600000000, -0.0004529500000000 ] - [ 0.0000000000000000, -0.0004538700000000, -0.0000082200000000 ] - [ 0.0000053100000000, -0.0024441600000000, -0.0004529500000000 ]