# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/46cd2688-8cf5-45d7-a27b-8c19eba3a950/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 NaLaO2 / I4_1/amd (141) / materials id 755586](https://mdr.nims.go.jp/datasets/acd4de97-8508-4cf1-91be-a62af4857947) ## 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: - [ -2.384220415000000, 2.384220415000000, 5.678101725000000 ] # a - [ 2.384220415000000, -2.384220415000000, 5.678101725000000 ] # b - [ 2.384220415000000, 2.384220415000000, -5.678101725000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: La # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 138.905470 - symbol: O # 5 coordinates: [ 0.785076180000000, 0.785076180000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.964923820000000, 0.464923820000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.535076180000000, 0.035076180000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.214923820000000, 0.214923820000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.209712154486354, 0.088057598157948 ] # a* - [ 0.209712154486354, 0.000000000000000, 0.088057598157948 ] # b* - [ 0.209712154486354, 0.209712154486354, 0.000000000000000 ] # c*unit_cell: lattice: - [ 4.768440830000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.768440830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.356203450000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: La # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 6 - symbol: La # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 6 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.285076180000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.464923820000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.035076180000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214923820000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.785076180000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.964923820000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 15 coordinates: [ 0.500000000000000, 0.000000000000000, 0.535076180000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.714923820000000 ] mass: 15.999400 reduced_to: 12supercell: lattice: - [ 14.305322490000002, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.305322490000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.356203450000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 12 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 13 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 15 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 16 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 17 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 18 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 19 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 20 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 21 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 22 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 24 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 25 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 26 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 27 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 28 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 29 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 30 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 32 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 33 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 34 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 35 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 36 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 22.989769 reduced_to: 10 - symbol: La # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 46 coordinates: [ 0.000000000000000, 0.166666666666667, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 47 coordinates: [ 0.333333333333333, 0.166666666666667, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 48 coordinates: [ 0.666666666666667, 0.166666666666667, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 49 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 50 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 51 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 52 coordinates: [ 0.000000000000000, 0.833333333333333, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 53 coordinates: [ 0.333333333333333, 0.833333333333333, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 54 coordinates: [ 0.666666666666667, 0.833333333333333, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 55 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 56 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 57 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 58 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 59 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 60 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 61 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 62 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 63 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 138.905470 reduced_to: 37 - symbol: La # 64 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 65 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 66 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 67 coordinates: [ 0.166666666666667, 0.333333333333333, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 68 coordinates: [ 0.500000000000000, 0.333333333333333, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 69 coordinates: [ 0.833333333333333, 0.333333333333333, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 70 coordinates: [ 0.166666666666667, 0.666666666666667, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 71 coordinates: [ 0.500000000000000, 0.666666666666667, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 72 coordinates: [ 0.833333333333333, 0.666666666666667, 0.750000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: O # 73 coordinates: [ 0.166666666666667, 0.166666666666667, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.166666666666667, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.833333333333333, 0.166666666666667, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.166666666666667, 0.500000000000000, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.500000000000000, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.833333333333333, 0.500000000000000, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.166666666666667, 0.833333333333333, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.833333333333333, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.833333333333333, 0.833333333333333, 0.285076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 82 coordinates: [ 0.000000000000000, 0.166666666666667, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.333333333333333, 0.166666666666667, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.666666666666667, 0.166666666666667, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.500000000000000, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 86 coordinates: [ 0.333333333333333, 0.500000000000000, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 87 coordinates: [ 0.666666666666667, 0.500000000000000, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.833333333333333, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 89 coordinates: [ 0.333333333333333, 0.833333333333333, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 90 coordinates: [ 0.666666666666667, 0.833333333333333, 0.464923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 91 coordinates: [ 0.000000000000000, 0.166666666666667, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.333333333333333, 0.166666666666667, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.666666666666667, 0.166666666666667, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.000000000000000, 0.500000000000000, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.333333333333333, 0.500000000000000, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.666666666666667, 0.500000000000000, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.833333333333333, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 98 coordinates: [ 0.333333333333333, 0.833333333333333, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 99 coordinates: [ 0.666666666666667, 0.833333333333333, 0.035076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 100 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.333333333333333, 0.000000000000000, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 102 coordinates: [ 0.666666666666667, 0.000000000000000, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 103 coordinates: [ 0.000000000000000, 0.333333333333333, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 104 coordinates: [ 0.333333333333333, 0.333333333333333, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 105 coordinates: [ 0.666666666666667, 0.333333333333333, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 106 coordinates: [ 0.000000000000000, 0.666666666666667, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 107 coordinates: [ 0.333333333333333, 0.666666666666667, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 108 coordinates: [ 0.666666666666667, 0.666666666666667, 0.214923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 110 coordinates: [ 0.333333333333333, 0.000000000000000, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 111 coordinates: [ 0.666666666666667, 0.000000000000000, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.333333333333333, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 113 coordinates: [ 0.333333333333333, 0.333333333333333, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.666666666666667, 0.333333333333333, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 115 coordinates: [ 0.000000000000000, 0.666666666666667, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 116 coordinates: [ 0.333333333333333, 0.666666666666667, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 117 coordinates: [ 0.666666666666667, 0.666666666666667, 0.785076180000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 118 coordinates: [ 0.166666666666667, 0.000000000000000, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 119 coordinates: [ 0.500000000000000, 0.000000000000000, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 120 coordinates: [ 0.833333333333333, 0.000000000000000, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 121 coordinates: [ 0.166666666666667, 0.333333333333333, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 122 coordinates: [ 0.500000000000000, 0.333333333333333, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 123 coordinates: [ 0.833333333333333, 0.333333333333333, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 124 coordinates: [ 0.166666666666667, 0.666666666666667, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 125 coordinates: [ 0.500000000000000, 0.666666666666667, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 126 coordinates: [ 0.833333333333333, 0.666666666666667, 0.964923820000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 127 coordinates: [ 0.166666666666667, 0.000000000000000, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 128 coordinates: [ 0.500000000000000, 0.000000000000000, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 129 coordinates: [ 0.833333333333333, 0.000000000000000, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 130 coordinates: [ 0.166666666666667, 0.333333333333333, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 131 coordinates: [ 0.500000000000000, 0.333333333333333, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.833333333333333, 0.333333333333333, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 133 coordinates: [ 0.166666666666667, 0.666666666666667, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 134 coordinates: [ 0.500000000000000, 0.666666666666667, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 135 coordinates: [ 0.833333333333333, 0.666666666666667, 0.535076180000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 136 coordinates: [ 0.166666666666667, 0.166666666666667, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 137 coordinates: [ 0.500000000000000, 0.166666666666667, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 138 coordinates: [ 0.833333333333333, 0.166666666666667, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 139 coordinates: [ 0.166666666666667, 0.500000000000000, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 140 coordinates: [ 0.500000000000000, 0.500000000000000, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 141 coordinates: [ 0.833333333333333, 0.500000000000000, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 142 coordinates: [ 0.166666666666667, 0.833333333333333, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 143 coordinates: [ 0.500000000000000, 0.833333333333333, 0.714923820000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 144 coordinates: [ 0.833333333333333, 0.833333333333333, 0.714923820000000 ] mass: 15.999400 reduced_to: 100born_effective_charge:- # 1 (Na) - [ 1.067621740000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 1.067621740000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.058179480000000 ]- # 2 (Na) - [ 1.067621740000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 1.067621740000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.058179480000000 ]- # 3 (La) - [ 3.889990750000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.889990750000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.910066300000000 ]- # 4 (La) - [ 3.889990750000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.889990750000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.910066300000000 ]- # 5 (O) - [ -3.655024910000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.302587570000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.484122890000000 ]- # 6 (O) - [ -3.655024910000001, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.302587570000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.484122890000000 ]- # 7 (O) - [ -1.302587570000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -3.655024910000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -2.484122890000000 ]- # 8 (O) - [ -1.302587570000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -3.655024910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.484122890000000 ]dielectric_constant: - [ 3.881905290000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.881905290000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.036927760000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0406625800000000, 0.0000000000000000, -0.0001500100000000 ] - [ 0.0009418600000000, 0.0000000000000000, -0.0000487100000000 ] - [ 0.0009431200000000, 0.0000000000000000, 0.0000534000000000 ] - [ -0.0003404000000000, -0.0000008100000000, -0.0000007200000000 ] - [ 0.0001754200000000, 0.0001381400000000, 0.0000137700000000 ] - [ 0.0001749000000000, -0.0001374500000000, -0.0000142200000000 ] - [ -0.0003404000000000, 0.0000008100000000, -0.0000007200000000 ] - [ 0.0001754200000000, -0.0001381400000000, 0.0000137700000000 ] - [ 0.0001749000000000, 0.0001374500000000, -0.0000142200000000 ] - [ 0.0007200600000000, 0.0000000000000000, -0.0019057000000000 ] - [ 0.0003087000000000, 0.0000000000000000, -0.0000000600000000 ] - [ 0.0007177800000000, 0.0000000000000000, 0.0018903400000000 ] - [ -0.0000938200000000, 0.0001560700000000, -0.0000775100000000 ] - [ 0.0001716200000000, 0.0000003300000000, -0.0000003500000000 ] - [ -0.0000931300000000, -0.0001553900000000, 0.0000771700000000 ] - [ -0.0000938200000000, -0.0001560700000000, -0.0000775100000000 ] - [ 0.0001716200000000, -0.0000003300000000, -0.0000003500000000 ] - [ -0.0000931300000000, 0.0001553900000000, 0.0000771700000000 ] - [ -0.0001054900000000, 0.0000717600000000, 0.0000445600000000 ] - [ 0.0001978000000000, 0.0000003700000000, -0.0000004500000000 ] - [ -0.0001047100000000, -0.0000716100000000, -0.0000449400000000 ] - [ -0.0000588500000000, 0.0000000000000000, 0.0000286100000000 ] - [ 0.0001125700000000, 0.0000000000000000, -0.0000001200000000 ] - [ -0.0000590500000000, 0.0000000000000000, -0.0000285600000000 ] - [ -0.0001054900000000, -0.0000717600000000, 0.0000445600000000 ] - [ 0.0001978000000000, -0.0000003700000000, -0.0000004500000000 ] - [ -0.0001047100000000, 0.0000716100000000, -0.0000449400000000 ] - [ -0.0008869300000000, -0.0000028600000000, -0.0000036200000000 ] - [ 0.0003187000000000, 0.0001557900000000, 0.0001238000000000 ] - [ 0.0003185900000000, -0.0001558800000000, -0.0001247400000000 ] - [ -0.0002005400000000, 0.0000000000000000, -0.0000002500000000 ] - [ 0.0001009600000000, 0.0000000000000000, 0.0000060300000000 ] - [ 0.0001002800000000, 0.0000000000000000, -0.0000069600000000 ] - [ -0.0008869300000000, 0.0000028600000000, -0.0000036200000000 ] - [ 0.0003187000000000, -0.0001557900000000, 0.0001238000000000 ] - [ 0.0003185900000000, 0.0001558800000000, -0.0001247400000000 ] - [ -0.0011378000000000, 0.0000000000000000, 0.0000035600000000 ] - [ 0.0005711000000000, 0.0000000000000000, 0.0000941800000000 ] - [ 0.0005714700000000, 0.0000000000000000, -0.0000914400000000 ] - [ -0.0005417400000000, -0.0000021000000000, -0.0000001800000000 ] - [ 0.0002706700000000, 0.0001741300000000, -0.0000500300000000 ] - [ 0.0002721800000000, -0.0001680500000000, 0.0000538300000000 ] - [ -0.0005417400000000, 0.0000021000000000, -0.0000001800000000 ] - [ 0.0002706700000000, -0.0001741300000000, -0.0000500300000000 ] - [ 0.0002721800000000, 0.0001680500000000, 0.0000538300000000 ] - [ -0.0026882500000000, -0.0000090000000000, 0.0000123700000000 ] - [ 0.0009526300000000, 0.0003524800000000, -0.0004671500000000 ] - [ 0.0009516600000000, -0.0003480100000000, 0.0004683000000000 ] - [ -0.0004514600000000, 0.0000000000000000, 0.0000021700000000 ] - [ 0.0002270700000000, 0.0000000000000000, -0.0000013400000000 ] - [ 0.0002270800000000, 0.0000000000000000, 0.0000018500000000 ] - [ -0.0026882500000000, 0.0000090000000000, 0.0000123700000000 ] - [ 0.0009526300000000, -0.0003524800000000, -0.0004671500000000 ] - [ 0.0009516600000000, 0.0003480100000000, 0.0004683000000000 ] - [ 0.0043003900000000, 0.0101139900000000, -0.0006094700000000 ] - [ 0.0015165200000000, 0.0000010200000000, 0.0000018500000000 ] - [ 0.0042747300000000, -0.0100370400000000, 0.0006155000000000 ] - [ -0.0002242200000000, 0.0000000000000000, -0.0002283100000000 ] - [ 0.0004563900000000, 0.0000000000000000, 0.0000037900000000 ] - [ -0.0002228800000000, 0.0000000000000000, 0.0002244700000000 ] - [ 0.0043003900000000, -0.0101139900000000, -0.0006094700000000 ] - [ 0.0015165200000000, -0.0000010200000000, 0.0000018500000000 ] - [ 0.0042747300000000, 0.0100370400000000, 0.0006155000000000 ] - [ 0.0015095300000000, 0.0000000000000000, 0.0068393700000000 ] - [ 0.0013907200000000, 0.0000000000000000, -0.0000015700000000 ] - [ 0.0015011100000000, 0.0000000000000000, -0.0068171200000000 ] - [ -0.0002738500000000, 0.0007174400000000, 0.0004946100000000 ] - [ 0.0005471600000000, 0.0000028400000000, -0.0000022700000000 ] - [ -0.0002727000000000, -0.0007173600000000, -0.0004925900000000 ] - [ -0.0002738500000000, -0.0007174400000000, 0.0004946100000000 ] - [ 0.0005471600000000, -0.0000028400000000, -0.0000022700000000 ] - [ -0.0002727000000000, 0.0007173600000000, -0.0004925900000000 ] - [ 0.0001488900000000, -0.0008927900000000, 0.0032482100000000 ] - [ -0.0008942700000000, 0.0000002900000000, 0.0019717000000000 ] - [ 0.0001447800000000, 0.0008872000000000, 0.0007022600000000 ] - [ 0.0001854300000000, 0.0000000000000000, 0.0021378100000000 ] - [ -0.0003713700000000, 0.0000000000000000, 0.0019716400000000 ] - [ 0.0001845600000000, 0.0000000000000000, 0.0018060800000000 ] - [ 0.0001488900000000, 0.0008927900000000, 0.0032482100000000 ] - [ -0.0008942700000000, -0.0000002900000000, 0.0019717000000000 ] - [ 0.0001447800000000, -0.0008872000000000, 0.0007022600000000 ] - [ 0.0060091800000000, -0.0000065200000000, -0.0019712400000000 ] - [ -0.0015989200000000, -0.0004123400000000, -0.0016984400000000 ] - [ -0.0015951200000000, 0.0004157900000000, -0.0022465600000000 ] - [ 0.0006433900000000, 0.0000000000000000, -0.0019719200000000 ] - [ -0.0003222100000000, 0.0000000000000000, -0.0019644900000000 ] - [ -0.0003228200000000, 0.0000000000000000, -0.0019791800000000 ] - [ 0.0060091800000000, 0.0000065200000000, -0.0019712400000000 ] - [ -0.0015989200000000, 0.0004123400000000, -0.0016984400000000 ] - [ -0.0015951200000000, -0.0004157900000000, -0.0022465600000000 ] - [ 0.0003524600000000, 0.0000021400000000, 0.0019709200000000 ] - [ -0.0001833400000000, -0.0001696700000000, 0.0020735900000000 ] - [ -0.0001833200000000, 0.0001716700000000, 0.0018705300000000 ] - [ 0.0001527500000000, 0.0000000000000000, 0.0019719200000000 ] - [ -0.0000774000000000, 0.0000000000000000, 0.0019731600000000 ] - [ -0.0000778200000000, 0.0000000000000000, 0.0019702400000000 ] - [ 0.0003524600000000, -0.0000021400000000, 0.0019709200000000 ] - [ -0.0001833400000000, 0.0001696700000000, 0.0020735900000000 ] - [ -0.0001833200000000, -0.0001716700000000, 0.0018705300000000 ] - [ 0.0022541100000000, 0.0000000000000000, -0.0019818300000000 ] - [ -0.0004267100000000, 0.0000000000000000, -0.0016802600000000 ] - [ -0.0004252400000000, 0.0000000000000000, -0.0022619700000000 ] - [ 0.0002935200000000, 0.0000022900000000, -0.0019723600000000 ] - [ -0.0001626100000000, -0.0002507700000000, -0.0018687800000000 ] - [ -0.0001626500000000, 0.0002506600000000, -0.0020743800000000 ] - [ 0.0002935200000000, -0.0000022900000000, -0.0019723600000000 ] - [ -0.0001626100000000, 0.0002507700000000, -0.0018687800000000 ] - [ -0.0001626500000000, -0.0002506600000000, -0.0020743800000000 ] - [ 0.0037971100000000, 0.0000000000000000, 0.0019798100000000 ] - [ -0.0013675700000000, 0.0000000000000000, 0.0015004400000000 ] - [ -0.0013680500000000, 0.0000000000000000, 0.0024454000000000 ] - [ 0.0007971000000000, 0.0000005000000000, 0.0019709900000000 ] - [ -0.0004017400000000, -0.0001151200000000, 0.0019212200000000 ] - [ -0.0004022700000000, 0.0001153300000000, 0.0020210800000000 ] - [ 0.0007971000000000, -0.0000005000000000, 0.0019709900000000 ] - [ -0.0004017400000000, 0.0001151200000000, 0.0019212200000000 ] - [ -0.0004022700000000, -0.0001153300000000, 0.0020210800000000 ] - [ 0.0003748500000000, 0.0000000000000000, -0.0029296700000000 ] - [ -0.0007676500000000, 0.0000000000000000, -0.0019722300000000 ] - [ 0.0003696800000000, 0.0000000000000000, -0.0010157400000000 ] - [ 0.0002036400000000, -0.0000982600000000, -0.0021661800000000 ] - [ -0.0004070600000000, 0.0000002700000000, -0.0019722100000000 ] - [ 0.0002023800000000, 0.0000985700000000, -0.0017782700000000 ] - [ 0.0002036400000000, 0.0000982600000000, -0.0021661800000000 ] - [ -0.0004070600000000, -0.0000002700000000, -0.0019722100000000 ] - [ 0.0002023800000000, -0.0000985700000000, -0.0017782700000000 ] - [ 0.0050298100000000, 0.0000000000000000, 0.0012223900000000 ] - [ -0.0006379700000000, 0.0000000000000000, 0.0019720100000000 ] - [ 0.0043737200000000, 0.0000000000000000, 0.0028365600000000 ] - [ 0.0001873300000000, -0.0012090300000000, 0.0017288600000000 ] - [ -0.0002749500000000, 0.0000002900000000, 0.0019715500000000 ] - [ 0.0001849500000000, 0.0012051100000000, 0.0022133400000000 ] - [ 0.0001873300000000, 0.0012090300000000, 0.0017288600000000 ] - [ -0.0002749500000000, -0.0000002900000000, 0.0019715500000000 ] - [ 0.0001849500000000, -0.0012051100000000, 0.0022133400000000 ] - [ -0.0001131700000000, -0.0013445800000000, -0.0031091700000000 ] - [ -0.0003595400000000, 0.0000008300000000, -0.0019728200000000 ] - [ -0.0001139900000000, 0.0013431700000000, -0.0008414700000000 ] - [ 0.0000754700000000, 0.0000000000000000, -0.0020172800000000 ] - [ -0.0001601300000000, 0.0000000000000000, -0.0019717900000000 ] - [ 0.0000751300000000, 0.0000000000000000, -0.0019284800000000 ] - [ -0.0001131700000000, 0.0013445800000000, -0.0031091700000000 ] - [ -0.0003595400000000, -0.0000008300000000, -0.0019728200000000 ] - [ -0.0001139900000000, -0.0013431700000000, -0.0008414700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0108560400000000 ] - [ 0.0000494500000000, 0.0000000000000000, -0.0001083800000000 ] - [ -0.0000494500000000, 0.0000000000000000, -0.0001083800000000 ] - [ 0.0000000000000000, -0.0000523600000000, -0.0001087900000000 ] - [ -0.0000142000000000, 0.0000138400000000, -0.0000525900000000 ] - [ 0.0000142000000000, 0.0000138400000000, -0.0000525900000000 ] - [ 0.0000000000000000, 0.0000523600000000, -0.0001087900000000 ] - [ -0.0000142000000000, -0.0000138400000000, -0.0000525900000000 ] - [ 0.0000142000000000, -0.0000138400000000, -0.0000525900000000 ] - [ -0.0018879900000000, 0.0000000000000000, 0.0012273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000038200000000 ] - [ 0.0018879900000000, 0.0000000000000000, 0.0012273900000000 ] - [ -0.0000772100000000, -0.0001243200000000, 0.0000142200000000 ] - [ 0.0000000000000000, -0.0000066000000000, -0.0000038700000000 ] - [ 0.0000772100000000, -0.0001243200000000, 0.0000142200000000 ] - [ -0.0000772100000000, 0.0001243200000000, 0.0000142200000000 ] - [ 0.0000000000000000, 0.0000066000000000, -0.0000038700000000 ] - [ 0.0000772100000000, 0.0001243200000000, 0.0000142200000000 ] - [ -0.0000439300000000, 0.0000459400000000, 0.0002951700000000 ] - [ 0.0000000000000000, 0.0000289400000000, 0.0000548500000000 ] - [ 0.0000439300000000, 0.0000459400000000, 0.0002951700000000 ] - [ -0.0000282800000000, 0.0000000000000000, 0.0000547700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000283400000000 ] - [ 0.0000282800000000, 0.0000000000000000, 0.0000547700000000 ] - [ -0.0000439300000000, -0.0000459400000000, 0.0002951700000000 ] - [ 0.0000000000000000, -0.0000289400000000, 0.0000548500000000 ] - [ 0.0000439300000000, -0.0000459400000000, 0.0002951700000000 ] - [ 0.0000000000000000, 0.0019079900000000, 0.0012342900000000 ] - [ 0.0001247100000000, 0.0000775400000000, 0.0000132000000000 ] - [ -0.0001247100000000, 0.0000775400000000, 0.0000132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044000000000 ] - [ 0.0000066700000000, 0.0000000000000000, -0.0000038600000000 ] - [ -0.0000066700000000, 0.0000000000000000, -0.0000038600000000 ] - [ 0.0000000000000000, -0.0019079900000000, 0.0012342900000000 ] - [ 0.0001247100000000, -0.0000775400000000, 0.0000132000000000 ] - [ -0.0001247100000000, -0.0000775400000000, 0.0000132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054380700000000 ] - [ 0.0000602400000000, 0.0000000000000000, 0.0005848600000000 ] - [ -0.0000602400000000, 0.0000000000000000, 0.0005848600000000 ] - [ 0.0000000000000000, -0.0000584600000000, 0.0005845000000000 ] - [ -0.0000266500000000, 0.0000306400000000, 0.0002104400000000 ] - [ 0.0000266500000000, 0.0000306400000000, 0.0002104400000000 ] - [ 0.0000000000000000, 0.0000584600000000, 0.0005845000000000 ] - [ -0.0000266500000000, -0.0000306400000000, 0.0002104400000000 ] - [ 0.0000266500000000, -0.0000306400000000, 0.0002104400000000 ] - [ 0.0000000000000000, -0.0061342600000000, 0.0035372900000000 ] - [ -0.0005756900000000, -0.0000237400000000, 0.0000360500000000 ] - [ 0.0005756900000000, -0.0000237400000000, 0.0000360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000480400000000 ] - [ -0.0000844800000000, 0.0000000000000000, 0.0000069500000000 ] - [ 0.0000844800000000, 0.0000000000000000, 0.0000069500000000 ] - [ 0.0000000000000000, 0.0061342600000000, 0.0035372900000000 ] - [ -0.0005756900000000, 0.0000237400000000, 0.0000360500000000 ] - [ 0.0005756900000000, 0.0000237400000000, 0.0000360500000000 ] - [ -0.0004270500000000, 0.0003819400000000, -0.0033088500000000 ] - [ 0.0000000000000000, 0.0000798000000000, -0.0002290500000000 ] - [ 0.0004270500000000, 0.0003819400000000, -0.0033088500000000 ] - [ -0.0000812600000000, 0.0000000000000000, -0.0002270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001091300000000 ] - [ 0.0000812600000000, 0.0000000000000000, -0.0002270800000000 ] - [ -0.0004270500000000, -0.0003819400000000, -0.0033088500000000 ] - [ 0.0000000000000000, -0.0000798000000000, -0.0002290500000000 ] - [ 0.0004270500000000, -0.0003819400000000, -0.0033088500000000 ] - [ 0.0062018800000000, 0.0000000000000000, 0.0035432200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518800000000 ] - [ -0.0062018800000000, 0.0000000000000000, 0.0035432200000000 ] - [ 0.0000236900000000, 0.0005799400000000, 0.0000303600000000 ] - [ 0.0000000000000000, 0.0000838200000000, 0.0000065900000000 ] - [ -0.0000236900000000, 0.0005799400000000, 0.0000303600000000 ] - [ 0.0000236900000000, -0.0005799400000000, 0.0000303600000000 ] - [ 0.0000000000000000, -0.0000838200000000, 0.0000065900000000 ] - [ -0.0000236900000000, -0.0005799400000000, 0.0000303600000000 ] - [ 0.0011706100000000, 0.0007933400000000, 0.0021103800000000 ] - [ 0.0000000000000000, 0.0000058700000000, 0.0021052100000000 ] - [ -0.0011706100000000, 0.0007933400000000, 0.0021103800000000 ] - [ 0.0001423500000000, 0.0000000000000000, 0.0020530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020192000000000 ] - [ -0.0001423500000000, 0.0000000000000000, 0.0020530900000000 ] - [ 0.0011706100000000, -0.0007933400000000, 0.0021103800000000 ] - [ 0.0000000000000000, -0.0000058700000000, 0.0021052100000000 ] - [ -0.0011706100000000, -0.0007933400000000, 0.0021103800000000 ] - [ 0.0000000000000000, -0.0002636400000000, 0.0023479000000000 ] - [ 0.0000209500000000, -0.0000958000000000, -0.0017140000000000 ] - [ -0.0000209500000000, -0.0000958000000000, -0.0017140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018076300000000 ] - [ 0.0000383000000000, 0.0000000000000000, -0.0019083300000000 ] - [ -0.0000383000000000, 0.0000000000000000, -0.0019083300000000 ] - [ 0.0000000000000000, 0.0002636400000000, 0.0023479000000000 ] - [ 0.0000209500000000, 0.0000958000000000, -0.0017140000000000 ] - [ -0.0000209500000000, 0.0000958000000000, -0.0017140000000000 ] - [ 0.0000000000000000, 0.0000181900000000, 0.0007942900000000 ] - [ 0.0000209700000000, -0.0000934300000000, 0.0017461100000000 ] - [ -0.0000209700000000, -0.0000934300000000, 0.0017461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017893100000000 ] - [ 0.0000109400000000, 0.0000000000000000, 0.0018936000000000 ] - [ -0.0000109400000000, 0.0000000000000000, 0.0018936000000000 ] - [ 0.0000000000000000, -0.0000181900000000, 0.0007942900000000 ] - [ 0.0000209700000000, 0.0000934300000000, 0.0017461100000000 ] - [ -0.0000209700000000, 0.0000934300000000, 0.0017461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098082100000000 ] - [ 0.0001946000000000, 0.0000000000000000, -0.0021581400000000 ] - [ -0.0001946000000000, 0.0000000000000000, -0.0021581400000000 ] - [ 0.0000000000000000, 0.0007776000000000, -0.0023129700000000 ] - [ 0.0000874000000000, 0.0000941900000000, -0.0020613700000000 ] - [ -0.0000874000000000, 0.0000941900000000, -0.0020613700000000 ] - [ 0.0000000000000000, -0.0007776000000000, -0.0023129700000000 ] - [ 0.0000874000000000, -0.0000941900000000, -0.0020613700000000 ] - [ -0.0000874000000000, -0.0000941900000000, -0.0020613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059086100000000 ] - [ -0.0007835800000000, 0.0000000000000000, 0.0016316900000000 ] - [ 0.0007835800000000, 0.0000000000000000, 0.0016316900000000 ] - [ 0.0000000000000000, -0.0001958500000000, 0.0017876200000000 ] - [ -0.0000945600000000, -0.0000877600000000, 0.0018823700000000 ] - [ 0.0000945600000000, -0.0000877600000000, 0.0018823700000000 ] - [ 0.0000000000000000, 0.0001958500000000, 0.0017876200000000 ] - [ -0.0000945600000000, 0.0000877600000000, 0.0018823700000000 ] - [ 0.0000945600000000, 0.0000877600000000, 0.0018823700000000 ] - [ -0.0000286900000000, 0.0000000000000000, -0.0031479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021534200000000 ] - [ 0.0000286900000000, 0.0000000000000000, -0.0031479400000000 ] - [ 0.0000919700000000, -0.0000219600000000, -0.0021961000000000 ] - [ 0.0000000000000000, -0.0000108700000000, -0.0020488300000000 ] - [ -0.0000919700000000, -0.0000219600000000, -0.0021961000000000 ] - [ 0.0000919700000000, 0.0000219600000000, -0.0021961000000000 ] - [ 0.0000000000000000, 0.0000108700000000, -0.0020488300000000 ] - [ -0.0000919700000000, 0.0000219600000000, -0.0021961000000000 ] - [ 0.0002802000000000, 0.0000000000000000, 0.0062994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021367800000000 ] - [ -0.0002802000000000, 0.0000000000000000, 0.0062994400000000 ] - [ 0.0000976400000000, -0.0000142400000000, 0.0022327500000000 ] - [ 0.0000000000000000, -0.0000378000000000, 0.0020354600000000 ] - [ -0.0000976400000000, -0.0000142400000000, 0.0022327500000000 ] - [ 0.0000976400000000, 0.0000142400000000, 0.0022327500000000 ] - [ 0.0000000000000000, 0.0000378000000000, 0.0020354600000000 ] - [ -0.0000976400000000, 0.0000142400000000, 0.0022327500000000 ] - [ -0.0008002500000000, -0.0011787300000000, -0.0018235200000000 ] - [ 0.0000000000000000, -0.0001432900000000, -0.0018881500000000 ] - [ 0.0008002500000000, -0.0011787300000000, -0.0018235200000000 ] - [ -0.0000060700000000, 0.0000000000000000, -0.0018354400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019234300000000 ] - [ 0.0000060700000000, 0.0000000000000000, -0.0018354400000000 ] - [ -0.0008002500000000, 0.0011787300000000, -0.0018235200000000 ] - [ 0.0000000000000000, 0.0001432900000000, -0.0018881500000000 ] - [ 0.0008002500000000, 0.0011787300000000, -0.0018235200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011361000000000, 0.0000000000000000, -0.0000060200000000 ] - [ 0.0005716000000000, 0.0000000000000000, -0.0000580600000000 ] - [ 0.0005737500000000, 0.0000000000000000, 0.0000568500000000 ] - [ -0.0005375600000000, -0.0000003800000000, -0.0000013700000000 ] - [ 0.0002711100000000, 0.0001716300000000, 0.0000289000000000 ] - [ 0.0002727900000000, -0.0001701000000000, -0.0000293000000000 ] - [ -0.0005375600000000, 0.0000003800000000, -0.0000013700000000 ] - [ 0.0002711100000000, -0.0001716300000000, 0.0000289000000000 ] - [ 0.0002727900000000, 0.0001701000000000, -0.0000293000000000 ] - [ 0.0014996300000000, 0.0000000000000000, 0.0061964600000000 ] - [ 0.0013967500000000, 0.0000000000000000, 0.0000009000000000 ] - [ 0.0015190900000000, 0.0000000000000000, -0.0061401500000000 ] - [ -0.0002728500000000, 0.0003500900000000, 0.0000224500000000 ] - [ 0.0005527500000000, 0.0000010800000000, 0.0000000000000000 ] - [ -0.0002654000000000, -0.0003504500000000, -0.0000249200000000 ] - [ -0.0002728500000000, -0.0003500900000000, 0.0000224500000000 ] - [ 0.0005527500000000, -0.0000010800000000, 0.0000000000000000 ] - [ -0.0002654000000000, 0.0003504500000000, -0.0000249200000000 ] - [ 0.0042904200000000, 0.0101261900000000, 0.0004057900000000 ] - [ 0.0015182400000000, 0.0000018300000000, 0.0000000600000000 ] - [ 0.0042904200000000, -0.0100254500000000, -0.0004010400000000 ] - [ -0.0002227400000000, 0.0000000000000000, 0.0000810200000000 ] - [ 0.0004530100000000, 0.0000000000000000, 0.0000004100000000 ] - [ -0.0002171100000000, 0.0000000000000000, -0.0000800800000000 ] - [ 0.0042904200000000, -0.0101261900000000, 0.0004057900000000 ] - [ 0.0015182400000000, -0.0000018300000000, 0.0000000600000000 ] - [ 0.0042904200000000, 0.0100254500000000, -0.0004010400000000 ] - [ -0.0026833600000000, -0.0000073300000000, 0.0000134400000000 ] - [ 0.0009575400000000, 0.0007216900000000, -0.0005796600000000 ] - [ 0.0009571000000000, -0.0007161300000000, 0.0005759700000000 ] - [ -0.0004441100000000, 0.0000000000000000, 0.0000009100000000 ] - [ 0.0002281600000000, 0.0000000000000000, -0.0000851900000000 ] - [ 0.0002303200000000, 0.0000000000000000, 0.0000844200000000 ] - [ -0.0026833600000000, 0.0000073300000000, 0.0000134400000000 ] - [ 0.0009575400000000, -0.0007216900000000, -0.0005796600000000 ] - [ 0.0009571000000000, 0.0007161300000000, 0.0005759700000000 ] - [ -0.1245326200000000, 0.0000000000000000, 0.0005326200000000 ] - [ 0.0208688200000000, 0.0000000000000000, 0.0024728300000000 ] - [ 0.0207175200000000, 0.0000000000000000, -0.0024489700000000 ] - [ -0.0023497200000000, -0.0000406500000000, 0.0000152700000000 ] - [ 0.0011994900000000, 0.0021611400000000, -0.0004048400000000 ] - [ 0.0012121600000000, -0.0021442000000000, 0.0004037000000000 ] - [ -0.0023497200000000, 0.0000406500000000, 0.0000152700000000 ] - [ 0.0011994900000000, -0.0021611400000000, -0.0004048400000000 ] - [ 0.0012121600000000, 0.0021442000000000, 0.0004037000000000 ] - [ -0.0076352000000000, -0.0000630800000000, -0.0000667700000000 ] - [ 0.0022999700000000, 0.0020175200000000, 0.0022784300000000 ] - [ 0.0023106200000000, -0.0019995400000000, -0.0022612500000000 ] - [ -0.0010738600000000, 0.0000000000000000, -0.0000058100000000 ] - [ 0.0005217100000000, 0.0000000000000000, 0.0004744200000000 ] - [ 0.0005304400000000, 0.0000000000000000, -0.0004694200000000 ] - [ -0.0076352000000000, 0.0000630800000000, -0.0000667700000000 ] - [ 0.0022999700000000, -0.0020175200000000, 0.0022784300000000 ] - [ 0.0023106200000000, 0.0019995400000000, -0.0022612500000000 ] - [ -0.0011092700000000, 0.0011816000000000, -0.0009583800000000 ] - [ 0.0021998700000000, 0.0000019900000000, -0.0000004600000000 ] - [ -0.0010898300000000, -0.0011791500000000, 0.0009447900000000 ] - [ -0.0004798700000000, 0.0000000000000000, -0.0003912500000000 ] - [ 0.0009610200000000, 0.0000000000000000, -0.0000019300000000 ] - [ -0.0004721100000000, 0.0000000000000000, 0.0003848400000000 ] - [ -0.0011092700000000, -0.0011816000000000, -0.0009583800000000 ] - [ 0.0021998700000000, -0.0000019900000000, -0.0000004600000000 ] - [ -0.0010898300000000, 0.0011791500000000, 0.0009447900000000 ] - [ 0.0042851300000000, 0.0000000000000000, -0.0271388000000000 ] - [ 0.0059585200000000, 0.0000000000000000, -0.0000089400000000 ] - [ 0.0042924100000000, 0.0000000000000000, 0.0268829900000000 ] - [ -0.0008198500000000, 0.0020129200000000, -0.0000358300000000 ] - [ 0.0016534100000000, 0.0000026400000000, -0.0000003600000000 ] - [ -0.0008058000000000, -0.0020034300000000, 0.0000433100000000 ] - [ -0.0008198500000000, -0.0020129200000000, -0.0000358300000000 ] - [ 0.0016534100000000, -0.0000026400000000, -0.0000003600000000 ] - [ -0.0008058000000000, 0.0020034300000000, 0.0000433100000000 ] - [ 0.0012084500000000, -0.0013782000000000, 0.0006759900000000 ] - [ -0.0028067500000000, -0.0000020100000000, 0.0019702600000000 ] - [ 0.0011653800000000, 0.0013745000000000, 0.0032662500000000 ] - [ 0.0005598400000000, 0.0000000000000000, 0.0020776700000000 ] - [ -0.0010998400000000, 0.0000000000000000, 0.0019726400000000 ] - [ 0.0005475700000000, 0.0000000000000000, 0.0018693300000000 ] - [ 0.0012084500000000, 0.0013782000000000, 0.0006759900000000 ] - [ -0.0028067500000000, 0.0000020100000000, 0.0019702600000000 ] - [ 0.0011653800000000, -0.0013745000000000, 0.0032662500000000 ] - [ 0.0026515000000000, 0.0000027600000000, -0.0019573500000000 ] - [ -0.0013116700000000, -0.0003246900000000, -0.0024570000000000 ] - [ -0.0013186400000000, 0.0003220800000000, -0.0014888200000000 ] - [ 0.0010636200000000, 0.0000000000000000, -0.0019688600000000 ] - [ -0.0005249600000000, 0.0000000000000000, -0.0021343900000000 ] - [ -0.0005303700000000, 0.0000000000000000, -0.0018102500000000 ] - [ 0.0026515000000000, -0.0000027600000000, -0.0019573500000000 ] - [ -0.0013116700000000, 0.0003246900000000, -0.0024570000000000 ] - [ -0.0013186400000000, -0.0003220800000000, -0.0014888200000000 ] - [ 0.0111861300000000, -0.0000069600000000, 0.0019477900000000 ] - [ -0.0027130600000000, -0.0041396600000000, 0.0006614600000000 ] - [ -0.0026996200000000, 0.0041108600000000, 0.0032737000000000 ] - [ 0.0004471600000000, 0.0000000000000000, 0.0019722200000000 ] - [ -0.0002878000000000, 0.0000000000000000, 0.0017271200000000 ] - [ -0.0002912400000000, 0.0000000000000000, 0.0022165700000000 ] - [ 0.0111861300000000, 0.0000069600000000, 0.0019477900000000 ] - [ -0.0027130600000000, 0.0041396600000000, 0.0006614600000000 ] - [ -0.0026996200000000, -0.0041108600000000, 0.0032737000000000 ] - [ 0.0120214700000000, 0.0000000000000000, -0.0019548700000000 ] - [ -0.0022414500000000, 0.0000000000000000, -0.0050990500000000 ] - [ -0.0022297400000000, 0.0000000000000000, 0.0011309500000000 ] - [ 0.0008021800000000, 0.0000142400000000, -0.0019692400000000 ] - [ -0.0003400200000000, -0.0009105000000000, -0.0022180400000000 ] - [ -0.0003439100000000, 0.0009044200000000, -0.0017277200000000 ] - [ 0.0008021800000000, -0.0000142400000000, -0.0019692400000000 ] - [ -0.0003400200000000, 0.0009105000000000, -0.0022180400000000 ] - [ -0.0003439100000000, -0.0009044200000000, -0.0017277200000000 ] - [ 0.0192088100000000, 0.0000000000000000, 0.0020037500000000 ] - [ -0.0053931200000000, 0.0000000000000000, 0.0054314900000000 ] - [ -0.0053795600000000, 0.0000000000000000, -0.0014676200000000 ] - [ 0.0019449500000000, 0.0000027300000000, 0.0019643100000000 ] - [ -0.0009656500000000, -0.0004085900000000, 0.0023511000000000 ] - [ -0.0009714000000000, 0.0004053100000000, 0.0015944900000000 ] - [ 0.0019449500000000, -0.0000027300000000, 0.0019643100000000 ] - [ -0.0009656500000000, 0.0004085900000000, 0.0023511000000000 ] - [ -0.0009714000000000, -0.0004053100000000, 0.0015944900000000 ] - [ 0.0184809400000000, 0.0000000000000000, -0.0010054400000000 ] - [ -0.0096141600000000, 0.0000000000000000, -0.0019705400000000 ] - [ 0.0164369300000000, 0.0000000000000000, -0.0032535600000000 ] - [ 0.0010393000000000, -0.0010189600000000, -0.0021323300000000 ] - [ -0.0020223600000000, -0.0000023800000000, -0.0019721100000000 ] - [ 0.0010085900000000, 0.0010186900000000, -0.0018190100000000 ] - [ 0.0010393000000000, 0.0010189600000000, -0.0021323300000000 ] - [ -0.0020223600000000, 0.0000023800000000, -0.0019721100000000 ] - [ 0.0010085900000000, -0.0010186900000000, -0.0018190100000000 ] - [ 0.0005127700000000, 0.0000000000000000, 0.0051647700000000 ] - [ -0.0010950800000000, 0.0000000000000000, 0.0019747700000000 ] - [ 0.0005026600000000, 0.0000000000000000, -0.0011904900000000 ] - [ 0.0002547500000000, -0.0008200600000000, 0.0021767400000000 ] - [ -0.0004919700000000, -0.0000020200000000, 0.0019727300000000 ] - [ 0.0002504000000000, 0.0008174200000000, 0.0017691200000000 ] - [ 0.0002547500000000, 0.0008200600000000, 0.0021767400000000 ] - [ -0.0004919700000000, 0.0000020200000000, 0.0019727300000000 ] - [ 0.0002504000000000, -0.0008174200000000, 0.0017691200000000 ] - [ 0.0003472400000000, -0.0038935400000000, 0.0005891300000000 ] - [ -0.0011923700000000, -0.0000045100000000, -0.0019713100000000 ] - [ 0.0003354200000000, 0.0038676600000000, -0.0045193600000000 ] - [ 0.0002333100000000, 0.0000000000000000, -0.0016931000000000 ] - [ -0.0004545100000000, 0.0000000000000000, -0.0019719200000000 ] - [ 0.0002295100000000, 0.0000000000000000, -0.0022527000000000 ] - [ 0.0003472400000000, 0.0038935400000000, 0.0005891300000000 ] - [ -0.0011923700000000, 0.0000045100000000, -0.0019713100000000 ] - [ 0.0003354200000000, -0.0038676600000000, -0.0045193600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0054419700000000 ] - [ -0.0000920300000000, 0.0000000000000000, 0.0005872800000000 ] - [ 0.0000920300000000, 0.0000000000000000, 0.0005872800000000 ] - [ 0.0000000000000000, 0.0000967000000000, 0.0005883900000000 ] - [ 0.0000522400000000, -0.0000510500000000, 0.0002126000000000 ] - [ -0.0000522400000000, -0.0000510500000000, 0.0002126000000000 ] - [ 0.0000000000000000, -0.0000967000000000, 0.0005883900000000 ] - [ 0.0000522400000000, 0.0000510500000000, 0.0002126000000000 ] - [ -0.0000522400000000, 0.0000510500000000, 0.0002126000000000 ] - [ 0.0068662900000000, 0.0000000000000000, 0.0035522800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000508500000000 ] - [ -0.0068662900000000, 0.0000000000000000, 0.0035522800000000 ] - [ 0.0004965800000000, 0.0004685700000000, 0.0000332400000000 ] - [ 0.0000000000000000, -0.0000020500000000, 0.0000069100000000 ] - [ -0.0004965800000000, 0.0004685700000000, 0.0000332400000000 ] - [ 0.0004965800000000, -0.0004685700000000, 0.0000332400000000 ] - [ 0.0000000000000000, 0.0000020500000000, 0.0000069100000000 ] - [ -0.0004965800000000, -0.0004685700000000, 0.0000332400000000 ] - [ 0.0005910700000000, -0.0006348800000000, -0.0033055900000000 ] - [ 0.0000000000000000, -0.0002282000000000, -0.0002261100000000 ] - [ -0.0005910700000000, -0.0006348800000000, -0.0033055900000000 ] - [ 0.0002262200000000, 0.0000000000000000, -0.0002267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001069200000000 ] - [ -0.0002262200000000, 0.0000000000000000, -0.0002267200000000 ] - [ 0.0005910700000000, 0.0006348800000000, -0.0033055900000000 ] - [ 0.0000000000000000, 0.0002282000000000, -0.0002261100000000 ] - [ -0.0005910700000000, 0.0006348800000000, -0.0033055900000000 ] - [ 0.0000000000000000, -0.0067939900000000, 0.0035322100000000 ] - [ -0.0004658300000000, -0.0004962100000000, 0.0000382200000000 ] - [ 0.0004658300000000, -0.0004962100000000, 0.0000382200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470200000000 ] - [ 0.0000015800000000, 0.0000000000000000, 0.0000091000000000 ] - [ -0.0000015800000000, 0.0000000000000000, 0.0000091000000000 ] - [ 0.0000000000000000, 0.0067939900000000, 0.0035322100000000 ] - [ -0.0004658300000000, 0.0004962100000000, 0.0000382200000000 ] - [ 0.0004658300000000, 0.0004962100000000, 0.0000382200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1365414800000000 ] - [ -0.0024917800000000, 0.0000000000000000, -0.0035884900000000 ] - [ 0.0024917800000000, 0.0000000000000000, -0.0035884900000000 ] - [ 0.0000000000000000, 0.0024308600000000, -0.0035930500000000 ] - [ 0.0004020700000000, -0.0004078400000000, -0.0007066100000000 ] - [ -0.0004020700000000, -0.0004078400000000, -0.0007066100000000 ] - [ 0.0000000000000000, -0.0024308600000000, -0.0035930500000000 ] - [ 0.0004020700000000, 0.0004078400000000, -0.0007066100000000 ] - [ -0.0004020700000000, 0.0004078400000000, -0.0007066100000000 ] - [ 0.0000000000000000, 0.0271691100000000, 0.0158228700000000 ] - [ 0.0022755600000000, 0.0000394500000000, -0.0004985800000000 ] - [ -0.0022755600000000, 0.0000394500000000, -0.0004985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005272200000000 ] - [ 0.0004728700000000, 0.0000000000000000, -0.0000123400000000 ] - [ -0.0004728700000000, 0.0000000000000000, -0.0000123400000000 ] - [ 0.0000000000000000, -0.0271691100000000, 0.0158228700000000 ] - [ 0.0022755600000000, -0.0000394500000000, -0.0004985800000000 ] - [ -0.0022755600000000, -0.0000394500000000, -0.0004985800000000 ] - [ 0.0009602100000000, -0.0009452400000000, 0.0056518100000000 ] - [ 0.0000000000000000, -0.0003901700000000, 0.0009893700000000 ] - [ -0.0009602100000000, -0.0009452400000000, 0.0056518100000000 ] - [ 0.0003902000000000, 0.0000000000000000, 0.0009870800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004316700000000 ] - [ -0.0003902000000000, 0.0000000000000000, 0.0009870800000000 ] - [ 0.0009602100000000, 0.0009452400000000, 0.0056518100000000 ] - [ 0.0000000000000000, 0.0003901700000000, 0.0009893700000000 ] - [ -0.0009602100000000, 0.0009452400000000, 0.0056518100000000 ] - [ -0.0268526700000000, 0.0000000000000000, 0.0157223400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005436500000000 ] - [ 0.0268526700000000, 0.0000000000000000, 0.0157223400000000 ] - [ -0.0000414400000000, -0.0022629500000000, -0.0004785500000000 ] - [ 0.0000000000000000, -0.0004717000000000, -0.0000058400000000 ] - [ 0.0000414400000000, -0.0022629500000000, -0.0004785500000000 ] - [ -0.0000414400000000, 0.0022629500000000, -0.0004785500000000 ] - [ 0.0000000000000000, 0.0004717000000000, -0.0000058400000000 ] - [ 0.0000414400000000, 0.0022629500000000, -0.0004785500000000 ] - [ -0.0050132800000000, -0.0021241000000000, -0.0009149900000000 ] - [ 0.0000000000000000, 0.0000373600000000, 0.0015447700000000 ] - [ 0.0050132800000000, -0.0021241000000000, -0.0009149900000000 ] - [ -0.0008399000000000, 0.0000000000000000, 0.0015180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017780300000000 ] - [ 0.0008399000000000, 0.0000000000000000, 0.0015180300000000 ] - [ -0.0050132800000000, 0.0021241000000000, -0.0009149900000000 ] - [ 0.0000000000000000, -0.0000373600000000, 0.0015447700000000 ] - [ 0.0050132800000000, 0.0021241000000000, -0.0009149900000000 ] - [ 0.0000000000000000, -0.0003628100000000, -0.0073818500000000 ] - [ -0.0002458400000000, 0.0002126300000000, -0.0029149600000000 ] - [ 0.0002458400000000, 0.0002126300000000, -0.0029149600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028820300000000 ] - [ -0.0001683700000000, 0.0000000000000000, -0.0022319000000000 ] - [ 0.0001683700000000, 0.0000000000000000, -0.0022319000000000 ] - [ 0.0000000000000000, 0.0003628100000000, -0.0073818500000000 ] - [ -0.0002458400000000, -0.0002126300000000, -0.0029149600000000 ] - [ 0.0002458400000000, -0.0002126300000000, -0.0029149600000000 ] - [ 0.0000000000000000, 0.0035308000000000, 0.0172987400000000 ] - [ 0.0000354100000000, 0.0010507900000000, 0.0030912500000000 ] - [ -0.0000354100000000, 0.0010507900000000, 0.0030912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030489900000000 ] - [ -0.0001223900000000, 0.0000000000000000, 0.0022771800000000 ] - [ 0.0001223900000000, 0.0000000000000000, 0.0022771800000000 ] - [ 0.0000000000000000, -0.0035308000000000, 0.0172987400000000 ] - [ 0.0000354100000000, -0.0010507900000000, 0.0030912500000000 ] - [ -0.0000354100000000, -0.0010507900000000, 0.0030912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0147399000000000 ] - [ -0.0008813200000000, 0.0000000000000000, -0.0007406600000000 ] - [ 0.0008813200000000, 0.0000000000000000, -0.0007406600000000 ] - [ 0.0000000000000000, -0.0042389400000000, -0.0009646900000000 ] - [ -0.0003523600000000, -0.0002350600000000, -0.0016171900000000 ] - [ 0.0003523600000000, -0.0002350600000000, -0.0016171900000000 ] - [ 0.0000000000000000, 0.0042389400000000, -0.0009646900000000 ] - [ -0.0003523600000000, 0.0002350600000000, -0.0016171900000000 ] - [ 0.0003523600000000, 0.0002350600000000, -0.0016171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0167543900000000 ] - [ 0.0042026300000000, 0.0000000000000000, 0.0029506900000000 ] - [ -0.0042026300000000, 0.0000000000000000, 0.0029506900000000 ] - [ 0.0000000000000000, 0.0008779500000000, 0.0031785800000000 ] - [ 0.0002333600000000, 0.0003510100000000, 0.0023170600000000 ] - [ -0.0002333600000000, 0.0003510100000000, 0.0023170600000000 ] - [ 0.0000000000000000, -0.0008779500000000, 0.0031785800000000 ] - [ 0.0002333600000000, -0.0003510100000000, 0.0023170600000000 ] - [ -0.0002333600000000, -0.0003510100000000, 0.0023170600000000 ] - [ -0.0034150700000000, 0.0000000000000000, 0.0133917600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009136200000000 ] - [ 0.0034150700000000, 0.0000000000000000, 0.0133917600000000 ] - [ -0.0010328300000000, -0.0000259700000000, -0.0008610200000000 ] - [ 0.0000000000000000, 0.0001236300000000, -0.0016677300000000 ] - [ 0.0010328300000000, -0.0000259700000000, -0.0008610200000000 ] - [ -0.0010328300000000, 0.0000259700000000, -0.0008610200000000 ] - [ 0.0000000000000000, -0.0001236300000000, -0.0016677300000000 ] - [ 0.0010328300000000, 0.0000259700000000, -0.0008610200000000 ] - [ 0.0003557800000000, 0.0000000000000000, -0.0034288000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010585200000000 ] - [ -0.0003557800000000, 0.0000000000000000, -0.0034288000000000 ] - [ -0.0002139700000000, 0.0002355300000000, 0.0010222200000000 ] - [ 0.0000000000000000, 0.0001675900000000, 0.0017090100000000 ] - [ 0.0002139700000000, 0.0002355300000000, 0.0010222200000000 ] - [ -0.0002139700000000, -0.0002355300000000, 0.0010222200000000 ] - [ 0.0000000000000000, -0.0001675900000000, 0.0017090100000000 ] - [ 0.0002139700000000, -0.0002355300000000, 0.0010222200000000 ] - [ 0.0021043100000000, 0.0049805200000000, -0.0048579600000000 ] - [ 0.0000000000000000, 0.0008388100000000, -0.0024277500000000 ] - [ -0.0021043100000000, 0.0049805200000000, -0.0048579600000000 ] - [ -0.0000367400000000, 0.0000000000000000, -0.0024009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021656000000000 ] - [ 0.0000367400000000, 0.0000000000000000, -0.0024009200000000 ] - [ 0.0021043100000000, -0.0049805200000000, -0.0048579600000000 ] - [ 0.0000000000000000, -0.0008388100000000, -0.0024277500000000 ] - [ -0.0021043100000000, -0.0049805200000000, -0.0048579600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001372600000000, -0.0013442200000000, 0.0011734800000000 ] - [ 0.0001552500000000, 0.0013432600000000, -0.0011764700000000 ] - [ -0.0008956800000000, 0.0000014100000000, -0.0000014000000000 ] - [ 0.0001372600000000, 0.0013442200000000, 0.0011734800000000 ] - [ 0.0001552500000000, -0.0013432600000000, -0.0011764700000000 ] - [ -0.0008956800000000, -0.0000014100000000, -0.0000014000000000 ] - [ 0.0001821900000000, 0.0000000000000000, 0.0001410600000000 ] - [ 0.0001864600000000, 0.0000000000000000, -0.0001434200000000 ] - [ -0.0003721400000000, 0.0000000000000000, -0.0000000900000000 ] - [ 0.0060118300000000, -0.0000234600000000, -0.0000041100000000 ] - [ -0.0015976800000000, 0.0012147200000000, 0.0000173900000000 ] - [ -0.0015928600000000, -0.0011997700000000, -0.0000179900000000 ] - [ 0.0060118300000000, 0.0000234600000000, -0.0000041100000000 ] - [ -0.0015976800000000, -0.0012147200000000, 0.0000173900000000 ] - [ -0.0015928600000000, 0.0011997700000000, -0.0000179900000000 ] - [ 0.0006456500000000, 0.0000000000000000, -0.0000004700000000 ] - [ -0.0003197500000000, 0.0000000000000000, 0.0000380200000000 ] - [ -0.0003212500000000, 0.0000000000000000, -0.0000378600000000 ] - [ 0.0037955200000000, 0.0000000000000000, -0.0000314300000000 ] - [ -0.0013701900000000, 0.0000000000000000, 0.0007858700000000 ] - [ -0.0013654500000000, 0.0000000000000000, -0.0007760400000000 ] - [ 0.0007963500000000, 0.0000010200000000, 0.0000008900000000 ] - [ -0.0004022600000000, -0.0002512600000000, 0.0000948600000000 ] - [ -0.0004031900000000, 0.0002500500000000, -0.0000937900000000 ] - [ 0.0007963500000000, -0.0000010200000000, 0.0000008900000000 ] - [ -0.0004022600000000, 0.0002512600000000, 0.0000948600000000 ] - [ -0.0004031900000000, -0.0002500500000000, -0.0000937900000000 ] - [ 0.0003684200000000, 0.0000000000000000, 0.0000243900000000 ] - [ 0.0003806200000000, 0.0000000000000000, -0.0000234400000000 ] - [ -0.0007658500000000, 0.0000000000000000, 0.0000013900000000 ] - [ 0.0002037300000000, 0.0001718600000000, -0.0000928100000000 ] - [ 0.0002074000000000, -0.0001704200000000, 0.0000909500000000 ] - [ -0.0004053600000000, -0.0000006800000000, -0.0000002600000000 ] - [ 0.0002037300000000, -0.0001718600000000, -0.0000928100000000 ] - [ 0.0002074000000000, 0.0001704200000000, 0.0000909500000000 ] - [ -0.0004053600000000, 0.0000006800000000, -0.0000002600000000 ] - [ 0.0011655400000000, -0.0038719300000000, -0.0049834600000000 ] - [ 0.0012028100000000, 0.0038851200000000, 0.0050066900000000 ] - [ -0.0028105000000000, 0.0000007300000000, 0.0000042600000000 ] - [ 0.0011655400000000, 0.0038719300000000, -0.0049834600000000 ] - [ 0.0012028100000000, -0.0038851200000000, 0.0050066900000000 ] - [ -0.0028105000000000, -0.0000007300000000, 0.0000042600000000 ] - [ 0.0005439400000000, 0.0000000000000000, -0.0008395700000000 ] - [ 0.0005566000000000, 0.0000000000000000, 0.0008398200000000 ] - [ -0.0010991400000000, 0.0000000000000000, 0.0000042200000000 ] - [ 0.0164887200000000, 0.0000000000000000, 0.0033018100000000 ] - [ 0.0184138600000000, 0.0000000000000000, -0.0036557500000000 ] - [ -0.0096159700000000, 0.0000000000000000, 0.0000088500000000 ] - [ 0.0010138800000000, 0.0041206400000000, 0.0010438800000000 ] - [ 0.0010284600000000, -0.0041317600000000, -0.0010454700000000 ] - [ -0.0020251600000000, -0.0000011100000000, 0.0000016500000000 ] - [ 0.0010138800000000, -0.0041206400000000, 0.0010438800000000 ] - [ 0.0010284600000000, 0.0041317600000000, -0.0010454700000000 ] - [ -0.0020251600000000, 0.0000011100000000, 0.0000016500000000 ] - [ 0.0192016800000000, 0.0000000000000000, 0.0000844700000000 ] - [ -0.0053795200000000, 0.0000000000000000, -0.0042360700000000 ] - [ -0.0053958400000000, 0.0000000000000000, 0.0041972000000000 ] - [ 0.0019377600000000, 0.0000171200000000, -0.0000034400000000 ] - [ -0.0009663500000000, -0.0009071100000000, -0.0002331700000000 ] - [ -0.0009721600000000, 0.0009063200000000, 0.0002312900000000 ] - [ 0.0019377600000000, -0.0000171200000000, -0.0000034400000000 ] - [ -0.0009663500000000, 0.0009071100000000, -0.0002331700000000 ] - [ -0.0009721600000000, -0.0009063200000000, 0.0002312900000000 ] - [ 0.0026536900000000, -0.0000116700000000, 0.0000103900000000 ] - [ -0.0013124300000000, 0.0008198100000000, -0.0002403600000000 ] - [ -0.0013282500000000, -0.0008167700000000, 0.0002424200000000 ] - [ 0.0026536900000000, 0.0000116700000000, 0.0000103900000000 ] - [ -0.0013124300000000, -0.0008198100000000, -0.0002403600000000 ] - [ -0.0013282500000000, 0.0008167700000000, 0.0002424200000000 ] - [ 0.0010597600000000, 0.0000000000000000, 0.0000005600000000 ] - [ -0.0005307300000000, 0.0000000000000000, -0.0001719200000000 ] - [ -0.0005279500000000, 0.0000000000000000, 0.0001693200000000 ] - [ -0.0926677500000000, 0.0000000000000000, 0.0022836200000000 ] - [ 0.0181840600000000, 0.0000000000000000, 0.0062528500000000 ] - [ 0.0180371500000000, 0.0000000000000000, -0.0022513500000000 ] - [ -0.0030939400000000, -0.0000068300000000, 0.0019766500000000 ] - [ 0.0015798000000000, 0.0006033700000000, 0.0021391200000000 ] - [ 0.0015840800000000, -0.0005993400000000, 0.0018047500000000 ] - [ -0.0030939400000000, 0.0000068300000000, 0.0019766500000000 ] - [ 0.0015798000000000, -0.0006033700000000, 0.0021391200000000 ] - [ 0.0015840800000000, 0.0005993400000000, 0.0018047500000000 ] - [ 0.0015094200000000, 0.0000000000000000, -0.0147966200000000 ] - [ 0.0014422000000000, 0.0000000000000000, 0.0110093400000000 ] - [ 0.0051236000000000, 0.0000000000000000, -0.0019617200000000 ] - [ -0.0007004400000000, -0.0004954600000000, -0.0028575100000000 ] - [ -0.0007176800000000, 0.0004935600000000, -0.0010761700000000 ] - [ 0.0014450600000000, 0.0000012500000000, -0.0019694700000000 ] - [ -0.0007004400000000, 0.0004954600000000, -0.0028575100000000 ] - [ -0.0007176800000000, -0.0004935600000000, -0.0010761700000000 ] - [ 0.0014450600000000, -0.0000012500000000, -0.0019694700000000 ] - [ 0.0002720700000000, 0.0000000000000000, 0.0121946200000000 ] - [ 0.0002214800000000, 0.0000000000000000, -0.0083489000000000 ] - [ 0.0014437600000000, 0.0000000000000000, 0.0019623500000000 ] - [ -0.0003037900000000, -0.0015253400000000, 0.0025708900000000 ] - [ -0.0003084300000000, 0.0015312600000000, 0.0013678200000000 ] - [ 0.0005986800000000, 0.0000038400000000, 0.0019707300000000 ] - [ -0.0003037900000000, 0.0015253400000000, 0.0025708900000000 ] - [ -0.0003084300000000, -0.0015312600000000, 0.0013678200000000 ] - [ 0.0005986800000000, -0.0000038400000000, 0.0019707300000000 ] - [ 0.0013158800000000, 0.0122945500000000, 0.0014615900000000 ] - [ 0.0012642400000000, -0.0124007600000000, -0.0054209600000000 ] - [ 0.0016630800000000, -0.0000096500000000, -0.0019739400000000 ] - [ 0.0013158800000000, -0.0122945500000000, 0.0014615900000000 ] - [ 0.0012642400000000, 0.0124007600000000, -0.0054209600000000 ] - [ 0.0016630800000000, 0.0000096500000000, -0.0019739400000000 ] - [ -0.0002862200000000, 0.0000000000000000, -0.0015417300000000 ] - [ -0.0002909800000000, 0.0000000000000000, -0.0024008800000000 ] - [ 0.0005491300000000, 0.0000000000000000, -0.0019711500000000 ] - [ -0.0009038100000000, 0.0005261500000000, 0.0030973000000000 ] - [ -0.0009274900000000, -0.0005265500000000, 0.0008348900000000 ] - [ 0.0018479300000000, -0.0000012100000000, 0.0019689000000000 ] - [ -0.0009038100000000, -0.0005261500000000, 0.0030973000000000 ] - [ -0.0009274900000000, 0.0005265500000000, 0.0008348900000000 ] - [ 0.0018479300000000, 0.0000012100000000, 0.0019689000000000 ] - [ -0.0004563200000000, 0.0000000000000000, 0.0023125100000000 ] - [ -0.0004632700000000, 0.0000000000000000, 0.0016233300000000 ] - [ 0.0009194100000000, 0.0000000000000000, 0.0019694900000000 ] - [ -0.0043518100000000, 0.0000078700000000, -0.0019685100000000 ] - [ 0.0021214100000000, -0.0005643200000000, -0.0025230400000000 ] - [ 0.0021279000000000, 0.0005602000000000, -0.0014252600000000 ] - [ -0.0043518100000000, -0.0000078700000000, -0.0019685100000000 ] - [ 0.0021214100000000, 0.0005643200000000, -0.0025230400000000 ] - [ 0.0021279000000000, -0.0005602000000000, -0.0014252600000000 ] - [ -0.0014844400000000, 0.0000000000000000, -0.0019742800000000 ] - [ 0.0007396500000000, 0.0000000000000000, -0.0020020000000000 ] - [ 0.0007428900000000, 0.0000000000000000, -0.0019420500000000 ] - [ -0.0022190500000000, 0.0000478800000000, 0.0019446700000000 ] - [ 0.0008965500000000, -0.0015331300000000, 0.0027151300000000 ] - [ 0.0009010800000000, 0.0015239800000000, 0.0012323300000000 ] - [ -0.0022190500000000, -0.0000478800000000, 0.0019446700000000 ] - [ 0.0008965500000000, 0.0015331300000000, 0.0027151300000000 ] - [ 0.0009010800000000, -0.0015239800000000, 0.0012323300000000 ] - [ -0.0005050300000000, 0.0000000000000000, 0.0019690700000000 ] - [ 0.0002602700000000, 0.0000000000000000, 0.0021674300000000 ] - [ 0.0002631900000000, 0.0000000000000000, 0.0017757300000000 ] - [ -0.0012410500000000, 0.0000000000000000, -0.0020308300000000 ] - [ 0.0008343200000000, 0.0000000000000000, -0.0009381300000000 ] - [ 0.0008379200000000, 0.0000000000000000, -0.0029985500000000 ] - [ -0.0005564700000000, -0.0000058300000000, -0.0019744700000000 ] - [ 0.0002799800000000, 0.0004679300000000, -0.0018949000000000 ] - [ 0.0002825900000000, -0.0004633400000000, -0.0020475400000000 ] - [ -0.0005564700000000, 0.0000058300000000, -0.0019744700000000 ] - [ 0.0002799800000000, -0.0004679300000000, -0.0018949000000000 ] - [ 0.0002825900000000, 0.0004633400000000, -0.0020475400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008859100000000, -0.0001132900000000, 0.0007925000000000 ] - [ 0.0008859100000000, -0.0001132900000000, 0.0007925000000000 ] - [ 0.0000000000000000, 0.0000759400000000, 0.0000055100000000 ] - [ 0.0008939100000000, -0.0001106100000000, -0.0008009800000000 ] - [ -0.0008939100000000, -0.0001106100000000, -0.0008009800000000 ] - [ 0.0000000000000000, 0.0000783300000000, -0.0000061300000000 ] - [ 0.0000003200000000, -0.0003574900000000, -0.0000007800000000 ] - [ -0.0000003200000000, -0.0003574900000000, -0.0000007800000000 ] - [ 0.0000000000000000, -0.0001582000000000, -0.0000004500000000 ] - [ 0.0000000000000000, 0.0043939200000000, 0.0002203200000000 ] - [ 0.0004133600000000, 0.0001828600000000, 0.0000961400000000 ] - [ -0.0004133600000000, 0.0001828600000000, 0.0000961400000000 ] - [ 0.0000000000000000, 0.0050080200000000, -0.0003255800000000 ] - [ -0.0004150900000000, 0.0001883000000000, -0.0000972900000000 ] - [ 0.0004150900000000, 0.0001883000000000, -0.0000972900000000 ] - [ 0.0000000000000000, -0.0006390000000000, 0.0000001900000000 ] - [ -0.0000004300000000, -0.0002761700000000, -0.0000003500000000 ] - [ 0.0000004300000000, -0.0002761700000000, -0.0000003500000000 ] - [ 0.0000000000000000, 0.0022554300000000, -0.0000047500000000 ] - [ 0.0000001200000000, 0.0002951800000000, -0.0000016700000000 ] - [ -0.0000001200000000, 0.0002951800000000, -0.0000016700000000 ] - [ 0.0000000000000000, -0.0004243700000000, 0.0001960800000000 ] - [ -0.0001158900000000, -0.0001604200000000, 0.0000877100000000 ] - [ 0.0001158900000000, -0.0001604200000000, 0.0000877100000000 ] - [ 0.0000000000000000, -0.0004235400000000, -0.0001945200000000 ] - [ 0.0001145900000000, -0.0001611000000000, -0.0000877700000000 ] - [ -0.0001145900000000, -0.0001611000000000, -0.0000877700000000 ] - [ -0.0000009200000000, 0.0003519800000000, -0.0000003600000000 ] - [ 0.0000009200000000, 0.0003519800000000, -0.0000003600000000 ] - [ 0.0000000000000000, 0.0001517200000000, 0.0000001200000000 ] - [ 0.0000988100000000, -0.0001837800000000, -0.0000221400000000 ] - [ -0.0000988100000000, -0.0001837800000000, -0.0000221400000000 ] - [ 0.0000000000000000, -0.0000779000000000, -0.0000116300000000 ] - [ -0.0000979900000000, -0.0001847300000000, 0.0000208900000000 ] - [ 0.0000979900000000, -0.0001847300000000, 0.0000208900000000 ] - [ 0.0000000000000000, -0.0000784500000000, 0.0000104400000000 ] - [ -0.0013740400000000, 0.0003326700000000, -0.0021069400000000 ] - [ 0.0013740400000000, 0.0003326700000000, -0.0021069400000000 ] - [ 0.0000000000000000, 0.0002228500000000, 0.0000371600000000 ] - [ 0.0013805900000000, 0.0003446400000000, 0.0021214100000000 ] - [ -0.0013805900000000, 0.0003446400000000, 0.0021214100000000 ] - [ 0.0000000000000000, 0.0002331300000000, -0.0000364700000000 ] - [ -0.0000000400000000, -0.0011971700000000, -0.0000012600000000 ] - [ 0.0000000400000000, -0.0011971700000000, -0.0000012600000000 ] - [ 0.0000000000000000, -0.0004597200000000, 0.0000017000000000 ] - [ 0.0000940400000000, 0.0111845400000000, 0.0000259200000000 ] - [ -0.0000940400000000, 0.0111845400000000, 0.0000259200000000 ] - [ 0.0000000000000000, 0.0004433500000000, 0.0000046100000000 ] - [ 0.0010244500000000, -0.0027155300000000, -0.0000324700000000 ] - [ -0.0010244500000000, -0.0027155300000000, -0.0000324700000000 ] - [ 0.0000000000000000, -0.0002895900000000, 0.0001261200000000 ] - [ -0.0010116200000000, -0.0027034800000000, 0.0000334100000000 ] - [ 0.0010116200000000, -0.0027034800000000, 0.0000334100000000 ] - [ 0.0000000000000000, -0.0002944800000000, -0.0001220700000000 ] - [ 0.0000000000000000, 0.0120190100000000, -0.0000568900000000 ] - [ 0.0000040200000000, 0.0007995700000000, 0.0000094200000000 ] - [ -0.0000040200000000, 0.0007995700000000, 0.0000094200000000 ] - [ 0.0000000000000000, -0.0022437800000000, -0.0008877100000000 ] - [ -0.0004072000000000, -0.0003436700000000, -0.0003519400000000 ] - [ 0.0004072000000000, -0.0003436700000000, -0.0003519400000000 ] - [ 0.0000000000000000, -0.0022344800000000, 0.0008736600000000 ] - [ 0.0004036600000000, -0.0003476100000000, 0.0003508700000000 ] - [ -0.0004036600000000, -0.0003476100000000, 0.0003508700000000 ] - [ 0.0000000000000000, 0.0004972000000000, 0.0003569000000000 ] - [ 0.0003243700000000, 0.0002488400000000, -0.0002107100000000 ] - [ -0.0003243700000000, 0.0002488400000000, -0.0002107100000000 ] - [ 0.0000000000000000, 0.0005103600000000, -0.0003615000000000 ] - [ -0.0003254000000000, 0.0002536600000000, 0.0002134300000000 ] - [ 0.0003254000000000, 0.0002536600000000, 0.0002134300000000 ] - [ 0.0000000000000000, -0.0010975800000000, 0.0000010000000000 ] - [ -0.0000030700000000, -0.0004960900000000, -0.0000003300000000 ] - [ 0.0000030700000000, -0.0004960900000000, -0.0000003300000000 ] - [ 0.0000000000000000, -0.0390547800000000, 0.0021329000000000 ] - [ -0.0000284800000000, 0.0004492800000000, 0.0019574000000000 ] - [ 0.0000284800000000, 0.0004492800000000, 0.0019574000000000 ] - [ 0.0000000000000000, 0.0018459400000000, 0.0022516500000000 ] - [ 0.0006046100000000, 0.0003669300000000, 0.0021781400000000 ] - [ -0.0006046100000000, 0.0003669300000000, 0.0021781400000000 ] - [ 0.0000000000000000, 0.0018302000000000, 0.0016912700000000 ] - [ -0.0005983400000000, 0.0003667400000000, 0.0017649100000000 ] - [ 0.0005983400000000, 0.0003667400000000, 0.0017649100000000 ] - [ 0.0000077900000000, -0.0033858200000000, -0.0019813000000000 ] - [ -0.0000077900000000, -0.0033858200000000, -0.0019813000000000 ] - [ 0.0000000000000000, -0.0003220000000000, -0.0019733500000000 ] - [ -0.0004977800000000, 0.0004560200000000, -0.0016175900000000 ] - [ 0.0004977800000000, 0.0004560200000000, -0.0016175900000000 ] - [ 0.0000000000000000, 0.0000878300000000, -0.0019253800000000 ] - [ 0.0004920200000000, 0.0004548600000000, -0.0023209900000000 ] - [ -0.0004920200000000, 0.0004548600000000, -0.0023209900000000 ] - [ 0.0000000000000000, 0.0000889400000000, -0.0020154000000000 ] - [ 0.0000009400000000, -0.0022191100000000, 0.0019844100000000 ] - [ -0.0000009400000000, -0.0022191100000000, 0.0019844100000000 ] - [ 0.0000000000000000, -0.0005046000000000, 0.0019755300000000 ] - [ -0.0001476300000000, 0.0008987300000000, 0.0015045800000000 ] - [ 0.0001476300000000, 0.0008987300000000, 0.0015045800000000 ] - [ 0.0000000000000000, 0.0002610200000000, 0.0018713000000000 ] - [ 0.0001462900000000, 0.0008987200000000, 0.0024325200000000 ] - [ -0.0001462900000000, 0.0008987200000000, 0.0024325200000000 ] - [ 0.0000000000000000, 0.0002620000000000, 0.0020708000000000 ] - [ 0.0050634200000000, 0.0012928200000000, -0.0002635100000000 ] - [ -0.0050634200000000, 0.0012928200000000, -0.0002635100000000 ] - [ 0.0000000000000000, -0.0002835400000000, -0.0020065300000000 ] - [ -0.0051083600000000, 0.0012871200000000, -0.0036930000000000 ] - [ 0.0051083600000000, 0.0012871200000000, -0.0036930000000000 ] - [ 0.0000000000000000, -0.0002942200000000, -0.0019312200000000 ] - [ -0.0000011400000000, 0.0016624800000000, -0.0019716300000000 ] - [ 0.0000011400000000, 0.0016624800000000, -0.0019716300000000 ] - [ 0.0000000000000000, 0.0005479400000000, -0.0019683000000000 ] - [ 0.0005255000000000, -0.0001507000000000, 0.0022927900000000 ] - [ -0.0005255000000000, -0.0001507000000000, 0.0022927900000000 ] - [ 0.0000000000000000, -0.0000736200000000, 0.0020058100000000 ] - [ -0.0005271000000000, -0.0001542100000000, 0.0016463200000000 ] - [ 0.0005271000000000, -0.0001542100000000, 0.0016463200000000 ] - [ 0.0000000000000000, -0.0000750900000000, 0.0019359100000000 ] - [ -0.0000010600000000, 0.0002999000000000, 0.0019685600000000 ] - [ 0.0000010600000000, 0.0002999000000000, 0.0019685600000000 ] - [ 0.0000000000000000, 0.0001485100000000, 0.0019702200000000 ] - [ 0.0000000000000000, 0.0003089200000000, -0.0005856800000000 ] - [ -0.0005606800000000, -0.0001344600000000, -0.0016726900000000 ] - [ 0.0005606800000000, -0.0001344600000000, -0.0016726900000000 ] - [ 0.0000000000000000, 0.0003060300000000, -0.0033672900000000 ] - [ 0.0005640100000000, -0.0001374100000000, -0.0022693300000000 ] - [ -0.0005640100000000, -0.0001374100000000, -0.0022693300000000 ] - [ 0.0000000000000000, 0.0004499100000000, -0.0019705400000000 ] - [ 0.0000018200000000, 0.0002434600000000, -0.0019708100000000 ] - [ -0.0000018200000000, 0.0002434600000000, -0.0019708100000000 ] - [ 0.0000000000000000, 0.0002530000000000, -0.0015940600000000 ] - [ -0.0001463900000000, -0.0003015600000000, 0.0019364100000000 ] - [ 0.0001463900000000, -0.0003015600000000, 0.0019364100000000 ] - [ 0.0000000000000000, 0.0002407200000000, 0.0055670300000000 ] - [ 0.0001477300000000, -0.0003102800000000, 0.0020037100000000 ] - [ -0.0001477300000000, -0.0003102800000000, 0.0020037100000000 ] - [ 0.0000000000000000, 0.0014441600000000, 0.0019713400000000 ] - [ 0.0000006800000000, 0.0005975900000000, 0.0019701500000000 ] - [ -0.0000006800000000, 0.0005975900000000, 0.0019701500000000 ] - [ 0.0000000000000000, -0.0012416000000000, -0.0019966800000000 ] - [ -0.0000003600000000, -0.0005567500000000, -0.0019729000000000 ] - [ 0.0000003600000000, -0.0005567500000000, -0.0019729000000000 ] - [ 0.0000000000000000, 0.0008349000000000, -0.0016377600000000 ] - [ 0.0000784500000000, 0.0002801700000000, -0.0018754500000000 ] - [ -0.0000784500000000, 0.0002801700000000, -0.0018754500000000 ] - [ 0.0000000000000000, 0.0008364300000000, -0.0023022000000000 ] - [ -0.0000774900000000, 0.0002818000000000, -0.0020651300000000 ] - [ 0.0000774900000000, 0.0002818000000000, -0.0020651300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012780700000000, 0.0011365200000000, 0.0001479100000000 ] - [ -0.0012780700000000, 0.0011365200000000, 0.0001479100000000 ] - [ 0.0000000000000000, 0.0000436800000000, 0.0001357400000000 ] - [ 0.0012780700000000, -0.0011365200000000, 0.0001479100000000 ] - [ -0.0012780700000000, -0.0011365200000000, 0.0001479100000000 ] - [ 0.0000000000000000, -0.0000436800000000, 0.0001357400000000 ] - [ 0.0001665900000000, 0.0000000000000000, 0.0000821500000000 ] - [ -0.0001665900000000, 0.0000000000000000, 0.0000821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000484200000000 ] - [ 0.0000000000000000, -0.0008228500000000, 0.0043213000000000 ] - [ 0.0002760600000000, -0.0002444400000000, 0.0002604400000000 ] - [ -0.0002760600000000, -0.0002444400000000, 0.0002604400000000 ] - [ 0.0000000000000000, 0.0008228500000000, 0.0043213000000000 ] - [ 0.0002760600000000, 0.0002444400000000, 0.0002604400000000 ] - [ -0.0002760600000000, 0.0002444400000000, 0.0002604400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001648100000000 ] - [ 0.0000073700000000, 0.0000000000000000, 0.0000634200000000 ] - [ -0.0000073700000000, 0.0000000000000000, 0.0000634200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0078449500000000 ] - [ 0.0004724900000000, 0.0000000000000000, -0.0003438100000000 ] - [ -0.0004724900000000, 0.0000000000000000, -0.0003438100000000 ] - [ 0.0000000000000000, 0.0002908700000000, -0.0001871400000000 ] - [ 0.0000499200000000, 0.0001032600000000, -0.0000905200000000 ] - [ -0.0000499200000000, 0.0001032600000000, -0.0000905200000000 ] - [ 0.0000000000000000, -0.0002908700000000, -0.0001871400000000 ] - [ 0.0000499200000000, -0.0001032600000000, -0.0000905200000000 ] - [ -0.0000499200000000, -0.0001032600000000, -0.0000905200000000 ] - [ 0.0009630100000000, 0.0000000000000000, -0.0011807400000000 ] - [ -0.0009630100000000, 0.0000000000000000, -0.0011807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001824500000000 ] - [ 0.0001949400000000, -0.0001021300000000, -0.0002263100000000 ] - [ -0.0001949400000000, -0.0001021300000000, -0.0002263100000000 ] - [ 0.0000000000000000, -0.0000015400000000, -0.0000785000000000 ] - [ 0.0001949400000000, 0.0001021300000000, -0.0002263100000000 ] - [ -0.0001949400000000, 0.0001021300000000, -0.0002263100000000 ] - [ 0.0000000000000000, 0.0000015400000000, -0.0000785000000000 ] - [ -0.0012878100000000, -0.0025506000000000, -0.0029015000000000 ] - [ 0.0012878100000000, -0.0025506000000000, -0.0029015000000000 ] - [ 0.0000000000000000, -0.0002833100000000, -0.0004343900000000 ] - [ -0.0012878100000000, 0.0025506000000000, -0.0029015000000000 ] - [ 0.0012878100000000, 0.0025506000000000, -0.0029015000000000 ] - [ 0.0000000000000000, 0.0002833100000000, -0.0004343900000000 ] - [ 0.0001040800000000, 0.0000000000000000, -0.0004609000000000 ] - [ -0.0001040800000000, 0.0000000000000000, -0.0004609000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001976300000000 ] - [ -0.0011555000000000, 0.0000000000000000, 0.0153819600000000 ] - [ 0.0011555000000000, 0.0000000000000000, 0.0153819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010663800000000 ] - [ 0.0001570200000000, 0.0013153600000000, 0.0011188400000000 ] - [ -0.0001570200000000, 0.0013153600000000, 0.0011188400000000 ] - [ 0.0000000000000000, 0.0002472500000000, 0.0003046700000000 ] - [ 0.0001570200000000, -0.0013153600000000, 0.0011188400000000 ] - [ -0.0001570200000000, -0.0013153600000000, 0.0011188400000000 ] - [ 0.0000000000000000, -0.0002472500000000, 0.0003046700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0166176300000000 ] - [ -0.0034589400000000, 0.0000000000000000, 0.0010032600000000 ] - [ 0.0034589400000000, 0.0000000000000000, 0.0010032600000000 ] - [ 0.0000000000000000, -0.0031284000000000, 0.0012233400000000 ] - [ -0.0003807400000000, -0.0002449200000000, 0.0003502800000000 ] - [ 0.0003807400000000, -0.0002449200000000, 0.0003502800000000 ] - [ 0.0000000000000000, 0.0031284000000000, 0.0012233400000000 ] - [ -0.0003807400000000, 0.0002449200000000, 0.0003502800000000 ] - [ 0.0003807400000000, 0.0002449200000000, 0.0003502800000000 ] - [ 0.0000000000000000, 0.0031977800000000, -0.0054282000000000 ] - [ -0.0004867500000000, 0.0002046700000000, -0.0009512800000000 ] - [ 0.0004867500000000, 0.0002046700000000, -0.0009512800000000 ] - [ 0.0000000000000000, -0.0031977800000000, -0.0054282000000000 ] - [ -0.0004867500000000, -0.0002046700000000, -0.0009512800000000 ] - [ 0.0004867500000000, -0.0002046700000000, -0.0009512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009191200000000 ] - [ -0.0001635300000000, 0.0000000000000000, -0.0002666300000000 ] - [ 0.0001635300000000, 0.0000000000000000, -0.0002666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0566544200000000 ] - [ -0.0042798500000000, 0.0000000000000000, -0.0010748700000000 ] - [ 0.0042798500000000, 0.0000000000000000, -0.0010748700000000 ] - [ 0.0000000000000000, -0.0002840100000000, 0.0005999400000000 ] - [ -0.0001681600000000, -0.0002076600000000, 0.0015391800000000 ] - [ 0.0001681600000000, -0.0002076600000000, 0.0015391800000000 ] - [ 0.0000000000000000, 0.0002840100000000, 0.0005999400000000 ] - [ -0.0001681600000000, 0.0002076600000000, 0.0015391800000000 ] - [ 0.0001681600000000, 0.0002076600000000, 0.0015391800000000 ] - [ -0.0129751300000000, 0.0000000000000000, -0.0039124500000000 ] - [ 0.0129751300000000, 0.0000000000000000, -0.0039124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032481000000000 ] - [ -0.0008946600000000, 0.0003532700000000, -0.0027872200000000 ] - [ 0.0008946600000000, 0.0003532700000000, -0.0027872200000000 ] - [ 0.0000000000000000, 0.0000454000000000, -0.0022707300000000 ] - [ -0.0008946600000000, -0.0003532700000000, -0.0027872200000000 ] - [ 0.0008946600000000, -0.0003532700000000, -0.0027872200000000 ] - [ 0.0000000000000000, -0.0000454000000000, -0.0022707300000000 ] - [ 0.0035586900000000, 0.0000000000000000, 0.0053473800000000 ] - [ -0.0035586900000000, 0.0000000000000000, 0.0053473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023071700000000 ] - [ 0.0000329200000000, -0.0007406100000000, 0.0020655200000000 ] - [ -0.0000329200000000, -0.0007406100000000, 0.0020655200000000 ] - [ 0.0000000000000000, -0.0001951300000000, 0.0019893300000000 ] - [ 0.0000329200000000, 0.0007406100000000, 0.0020655200000000 ] - [ -0.0000329200000000, 0.0007406100000000, 0.0020655200000000 ] - [ 0.0000000000000000, 0.0001951300000000, 0.0019893300000000 ] - [ 0.0017212900000000, 0.0034664700000000, -0.0026749700000000 ] - [ -0.0017212900000000, 0.0034664700000000, -0.0026749700000000 ] - [ 0.0000000000000000, 0.0004320200000000, -0.0020007300000000 ] - [ 0.0017212900000000, -0.0034664700000000, -0.0026749700000000 ] - [ -0.0017212900000000, -0.0034664700000000, -0.0026749700000000 ] - [ 0.0000000000000000, -0.0004320200000000, -0.0020007300000000 ] - [ -0.0000379500000000, 0.0000000000000000, -0.0020002000000000 ] - [ 0.0000379500000000, 0.0000000000000000, -0.0020002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019771800000000 ] - [ -0.0011391900000000, -0.0003255700000000, 0.0036996600000000 ] - [ 0.0011391900000000, -0.0003255700000000, 0.0036996600000000 ] - [ 0.0000000000000000, -0.0000350900000000, 0.0024491600000000 ] - [ -0.0011391900000000, 0.0003255700000000, 0.0036996600000000 ] - [ 0.0011391900000000, 0.0003255700000000, 0.0036996600000000 ] - [ 0.0000000000000000, 0.0000350900000000, 0.0024491600000000 ] - [ -0.0003467500000000, 0.0000000000000000, 0.0023706100000000 ] - [ 0.0003467500000000, 0.0000000000000000, 0.0023706100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021534700000000 ] - [ 0.0000000000000000, 0.0013835800000000, 0.0018961500000000 ] - [ -0.0005473400000000, 0.0002981000000000, -0.0012010200000000 ] - [ 0.0005473400000000, 0.0002981000000000, -0.0012010200000000 ] - [ 0.0000000000000000, -0.0013835800000000, 0.0018961500000000 ] - [ -0.0005473400000000, -0.0002981000000000, -0.0012010200000000 ] - [ 0.0005473400000000, -0.0002981000000000, -0.0012010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014584100000000 ] - [ -0.0000286000000000, 0.0000000000000000, -0.0017554400000000 ] - [ 0.0000286000000000, 0.0000000000000000, -0.0017554400000000 ] - [ 0.0000000000000000, -0.0103364600000000, 0.0053313100000000 ] - [ 0.0004651100000000, -0.0006019500000000, 0.0020604100000000 ] - [ -0.0004651100000000, -0.0006019500000000, 0.0020604100000000 ] - [ 0.0000000000000000, 0.0103364600000000, 0.0053313100000000 ] - [ 0.0004651100000000, 0.0006019500000000, 0.0020604100000000 ] - [ -0.0004651100000000, 0.0006019500000000, 0.0020604100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023037000000000 ] - [ 0.0001005100000000, 0.0000000000000000, 0.0019873800000000 ] - [ -0.0001005100000000, 0.0000000000000000, 0.0019873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0125493200000000 ] - [ 0.0003351900000000, 0.0000000000000000, -0.0012951700000000 ] - [ -0.0003351900000000, 0.0000000000000000, -0.0012951700000000 ] - [ 0.0000000000000000, 0.0010378000000000, -0.0012947500000000 ] - [ 0.0000960500000000, 0.0000775800000000, -0.0018427800000000 ] - [ -0.0000960500000000, 0.0000775800000000, -0.0018427800000000 ] - [ 0.0000000000000000, -0.0010378000000000, -0.0012947500000000 ] - [ 0.0000960500000000, -0.0000775800000000, -0.0018427800000000 ] - [ -0.0000960500000000, -0.0000775800000000, -0.0018427800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012686900000000, -0.0011309600000000, -0.0001387300000000 ] - [ 0.0012686900000000, -0.0011309600000000, -0.0001387300000000 ] - [ 0.0000000000000000, -0.0000455100000000, -0.0001332900000000 ] - [ -0.0012686900000000, 0.0011309600000000, -0.0001387300000000 ] - [ 0.0012686900000000, 0.0011309600000000, -0.0001387300000000 ] - [ 0.0000000000000000, 0.0000455100000000, -0.0001332900000000 ] - [ -0.0001649900000000, 0.0000000000000000, -0.0000809700000000 ] - [ 0.0001649900000000, 0.0000000000000000, -0.0000809700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000471300000000 ] - [ 0.0000000000000000, 0.0007932900000000, -0.0043245400000000 ] - [ -0.0002723000000000, 0.0002393200000000, -0.0002578700000000 ] - [ 0.0002723000000000, 0.0002393200000000, -0.0002578700000000 ] - [ 0.0000000000000000, -0.0007932900000000, -0.0043245400000000 ] - [ -0.0002723000000000, -0.0002393200000000, -0.0002578700000000 ] - [ 0.0002723000000000, -0.0002393200000000, -0.0002578700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001635100000000 ] - [ -0.0000076500000000, 0.0000000000000000, -0.0000625100000000 ] - [ 0.0000076500000000, 0.0000000000000000, -0.0000625100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078731700000000 ] - [ -0.0004704700000000, 0.0000000000000000, 0.0003382000000000 ] - [ 0.0004704700000000, 0.0000000000000000, 0.0003382000000000 ] - [ 0.0000000000000000, -0.0002908000000000, 0.0001839400000000 ] - [ -0.0000494100000000, -0.0001025000000000, 0.0000895000000000 ] - [ 0.0000494100000000, -0.0001025000000000, 0.0000895000000000 ] - [ 0.0000000000000000, 0.0002908000000000, 0.0001839400000000 ] - [ -0.0000494100000000, 0.0001025000000000, 0.0000895000000000 ] - [ 0.0000494100000000, 0.0001025000000000, 0.0000895000000000 ] - [ -0.0009509600000000, 0.0000000000000000, 0.0011733200000000 ] - [ 0.0009509600000000, 0.0000000000000000, 0.0011733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001832600000000 ] - [ -0.0001922500000000, 0.0001004800000000, 0.0002241700000000 ] - [ 0.0001922500000000, 0.0001004800000000, 0.0002241700000000 ] - [ 0.0000000000000000, 0.0000023100000000, 0.0000778700000000 ] - [ -0.0001922500000000, -0.0001004800000000, 0.0002241700000000 ] - [ 0.0001922500000000, -0.0001004800000000, 0.0002241700000000 ] - [ 0.0000000000000000, -0.0000023100000000, 0.0000778700000000 ] - [ 0.0013048500000000, 0.0025559400000000, 0.0028762300000000 ] - [ -0.0013048500000000, 0.0025559400000000, 0.0028762300000000 ] - [ 0.0000000000000000, 0.0002755800000000, 0.0004278200000000 ] - [ 0.0013048500000000, -0.0025559400000000, 0.0028762300000000 ] - [ -0.0013048500000000, -0.0025559400000000, 0.0028762300000000 ] - [ 0.0000000000000000, -0.0002755800000000, 0.0004278200000000 ] - [ -0.0001012000000000, 0.0000000000000000, 0.0004554100000000 ] - [ 0.0001012000000000, 0.0000000000000000, 0.0004554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001934200000000 ] - [ 0.0011016000000000, 0.0000000000000000, -0.0153062900000000 ] - [ -0.0011016000000000, 0.0000000000000000, -0.0153062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010684200000000 ] - [ -0.0001579200000000, -0.0012987400000000, -0.0011082200000000 ] - [ 0.0001579200000000, -0.0012987400000000, -0.0011082200000000 ] - [ 0.0000000000000000, -0.0002438100000000, -0.0003001800000000 ] - [ -0.0001579200000000, 0.0012987400000000, -0.0011082200000000 ] - [ 0.0001579200000000, 0.0012987400000000, -0.0011082200000000 ] - [ 0.0000000000000000, 0.0002438100000000, -0.0003001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0148645400000000 ] - [ 0.0034396300000000, 0.0000000000000000, -0.0009777600000000 ] - [ -0.0034396300000000, 0.0000000000000000, -0.0009777600000000 ] - [ 0.0000000000000000, 0.0031035300000000, -0.0012056200000000 ] - [ 0.0003769500000000, 0.0002425100000000, -0.0003450400000000 ] - [ -0.0003769500000000, 0.0002425100000000, -0.0003450400000000 ] - [ 0.0000000000000000, -0.0031035300000000, -0.0012056200000000 ] - [ 0.0003769500000000, -0.0002425100000000, -0.0003450400000000 ] - [ -0.0003769500000000, -0.0002425100000000, -0.0003450400000000 ] - [ 0.0000000000000000, -0.0031603800000000, 0.0053916900000000 ] - [ 0.0004790400000000, -0.0002026200000000, 0.0009459200000000 ] - [ -0.0004790400000000, -0.0002026200000000, 0.0009459200000000 ] - [ 0.0000000000000000, 0.0031603800000000, 0.0053916900000000 ] - [ 0.0004790400000000, 0.0002026200000000, 0.0009459200000000 ] - [ -0.0004790400000000, 0.0002026200000000, 0.0009459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009110500000000 ] - [ 0.0001634500000000, 0.0000000000000000, 0.0002626500000000 ] - [ -0.0001634500000000, 0.0000000000000000, 0.0002626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0585138300000000 ] - [ 0.0042237600000000, 0.0000000000000000, 0.0049782000000000 ] - [ -0.0042237600000000, 0.0000000000000000, 0.0049782000000000 ] - [ 0.0000000000000000, 0.0002762300000000, 0.0033313800000000 ] - [ 0.0001661100000000, 0.0002056600000000, 0.0024020900000000 ] - [ -0.0001661100000000, 0.0002056600000000, 0.0024020900000000 ] - [ 0.0000000000000000, -0.0002762300000000, 0.0033313800000000 ] - [ 0.0001661100000000, -0.0002056600000000, 0.0024020900000000 ] - [ -0.0001661100000000, -0.0002056600000000, 0.0024020900000000 ] - [ 0.0128282200000000, 0.0000000000000000, -0.0001019400000000 ] - [ -0.0128282200000000, 0.0000000000000000, -0.0001019400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007098100000000 ] - [ 0.0008854200000000, -0.0003511700000000, -0.0011650500000000 ] - [ -0.0008854200000000, -0.0003511700000000, -0.0011650500000000 ] - [ 0.0000000000000000, -0.0000448100000000, -0.0016751400000000 ] - [ 0.0008854200000000, 0.0003511700000000, -0.0011650500000000 ] - [ -0.0008854200000000, 0.0003511700000000, -0.0011650500000000 ] - [ 0.0000000000000000, 0.0000448100000000, -0.0016751400000000 ] - [ -0.0036021500000000, 0.0000000000000000, -0.0013678200000000 ] - [ 0.0036021500000000, 0.0000000000000000, -0.0013678200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016457700000000 ] - [ -0.0000349000000000, 0.0007409300000000, 0.0018846100000000 ] - [ 0.0000349000000000, 0.0007409300000000, 0.0018846100000000 ] - [ 0.0000000000000000, 0.0001959500000000, 0.0019573200000000 ] - [ -0.0000349000000000, -0.0007409300000000, 0.0018846100000000 ] - [ 0.0000349000000000, -0.0007409300000000, 0.0018846100000000 ] - [ 0.0000000000000000, -0.0001959500000000, 0.0019573200000000 ] - [ -0.0017083500000000, -0.0034161000000000, -0.0012379200000000 ] - [ 0.0017083500000000, -0.0034161000000000, -0.0012379200000000 ] - [ 0.0000000000000000, -0.0004252800000000, -0.0019398000000000 ] - [ -0.0017083500000000, 0.0034161000000000, -0.0012379200000000 ] - [ 0.0017083500000000, 0.0034161000000000, -0.0012379200000000 ] - [ 0.0000000000000000, 0.0004252800000000, -0.0019398000000000 ] - [ 0.0000377500000000, 0.0000000000000000, -0.0019395500000000 ] - [ -0.0000377500000000, 0.0000000000000000, -0.0019395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019640000000000 ] - [ 0.0011230000000000, 0.0003205200000000, 0.0002546800000000 ] - [ -0.0011230000000000, 0.0003205200000000, 0.0002546800000000 ] - [ 0.0000000000000000, 0.0000347400000000, 0.0014982800000000 ] - [ 0.0011230000000000, -0.0003205200000000, 0.0002546800000000 ] - [ -0.0011230000000000, -0.0003205200000000, 0.0002546800000000 ] - [ 0.0000000000000000, -0.0000347400000000, 0.0014982800000000 ] - [ 0.0003414800000000, 0.0000000000000000, 0.0015751800000000 ] - [ -0.0003414800000000, 0.0000000000000000, 0.0015751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017918800000000 ] - [ 0.0000000000000000, -0.0013985300000000, -0.0058318400000000 ] - [ 0.0005491600000000, -0.0002979200000000, -0.0027360900000000 ] - [ -0.0005491600000000, -0.0002979200000000, -0.0027360900000000 ] - [ 0.0000000000000000, 0.0013985300000000, -0.0058318400000000 ] - [ 0.0005491600000000, 0.0002979200000000, -0.0027360900000000 ] - [ -0.0005491600000000, 0.0002979200000000, -0.0027360900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024790400000000 ] - [ 0.0000304100000000, 0.0000000000000000, -0.0021867300000000 ] - [ -0.0000304100000000, 0.0000000000000000, -0.0021867300000000 ] - [ 0.0000000000000000, 0.0102075300000000, -0.0013828400000000 ] - [ -0.0004620800000000, 0.0006006700000000, 0.0018805100000000 ] - [ 0.0004620800000000, 0.0006006700000000, 0.0018805100000000 ] - [ 0.0000000000000000, -0.0102075300000000, -0.0013828400000000 ] - [ -0.0004620800000000, -0.0006006700000000, 0.0018805100000000 ] - [ 0.0004620800000000, -0.0006006700000000, 0.0018805100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016413600000000 ] - [ -0.0000992100000000, 0.0000000000000000, 0.0019556800000000 ] - [ 0.0000992100000000, 0.0000000000000000, 0.0019556800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0163136300000000 ] - [ -0.0003308200000000, 0.0000000000000000, -0.0026486000000000 ] - [ 0.0003308200000000, 0.0000000000000000, -0.0026486000000000 ] - [ 0.0000000000000000, -0.0010221600000000, -0.0026481500000000 ] - [ -0.0000940900000000, -0.0000745300000000, -0.0021013700000000 ] - [ 0.0000940900000000, -0.0000745300000000, -0.0021013700000000 ] - [ 0.0000000000000000, 0.0010221600000000, -0.0026481500000000 ] - [ -0.0000940900000000, 0.0000745300000000, -0.0021013700000000 ] - [ 0.0000940900000000, 0.0000745300000000, -0.0021013700000000 ]