# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9c8618a7-d817-4296-bcd2-c511e73dc597/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 La2SO2 / P-3m1 (164) / materials id 4511](https://mdr.nims.go.jp/datasets/fd9aa828-355d-4e2c-920d-7ee85c1e58dc) ## 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: "P-3m1" number: 164 Hall_symbol: "-P 3 2\""supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.015728400000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.007864200000000, 3.477722810000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.871429530000000 ] # c points: - symbol: O # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.128520970000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.871479030000000 ] mass: 15.999400 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 - symbol: La # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.779631370000000 ] mass: 138.905470 - symbol: La # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.220368630000000 ] mass: 138.905470 reciprocal_lattice: # without 2pi - [ 0.249020825213179, 0.143772240433389, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.287544480866777, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.145530125228542 ] # c*unit_cell: lattice: - [ 4.015728400000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.007864200000000, 3.477722810000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.871429530000000 ] # c points: - symbol: O # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.128520970000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.871479030000000 ] mass: 15.999400 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.779631370000000 ] mass: 138.905470 reduced_to: 4 - symbol: La # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.220368630000000 ] mass: 138.905470 reduced_to: 5supercell: lattice: - [ 12.047185200000001, 0.000000000000000, 0.000000000000000 ] # a - [ -6.023592600000001, 10.433168430000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.742859060000001 ] # c points: - symbol: O # 1 coordinates: [ 0.222222223333333, 0.111111110000000, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.555555556666667, 0.111111110000000, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.888888890000000, 0.111111110000000, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.222222223333333, 0.444444443333333, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.555555556666667, 0.444444443333333, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.888888890000000, 0.444444443333333, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.222222223333333, 0.777777776666667, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.555555556666667, 0.777777776666667, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.888888890000000, 0.777777776666667, 0.064260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.222222223333333, 0.111111110000000, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.555555556666667, 0.111111110000000, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.888888890000000, 0.111111110000000, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.222222223333333, 0.444444443333333, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.555555556666667, 0.444444443333333, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 15 coordinates: [ 0.888888890000000, 0.444444443333333, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.222222223333333, 0.777777776666667, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 17 coordinates: [ 0.555555556666667, 0.777777776666667, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 18 coordinates: [ 0.888888890000000, 0.777777776666667, 0.564260485000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 19 coordinates: [ 0.111111110000000, 0.222222223333333, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.444444443333333, 0.222222223333333, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.777777776666667, 0.222222223333333, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.111111110000000, 0.555555556666667, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.444444443333333, 0.555555556666667, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.777777776666667, 0.555555556666667, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.111111110000000, 0.888888890000000, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 26 coordinates: [ 0.444444443333333, 0.888888890000000, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 27 coordinates: [ 0.777777776666667, 0.888888890000000, 0.435739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 28 coordinates: [ 0.111111110000000, 0.222222223333333, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 29 coordinates: [ 0.444444443333333, 0.222222223333333, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 30 coordinates: [ 0.777777776666667, 0.222222223333333, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 31 coordinates: [ 0.111111110000000, 0.555555556666667, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.444444443333333, 0.555555556666667, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 33 coordinates: [ 0.777777776666667, 0.555555556666667, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 34 coordinates: [ 0.111111110000000, 0.888888890000000, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 35 coordinates: [ 0.444444443333333, 0.888888890000000, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 36 coordinates: [ 0.777777776666667, 0.888888890000000, 0.935739515000000 ] mass: 15.999400 reduced_to: 19 - symbol: S # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.333333333333333, 0.000000000000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.666666666666667, 0.000000000000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.000000000000000, 0.333333333333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.333333333333333, 0.333333333333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 42 coordinates: [ 0.666666666666667, 0.333333333333333, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.666666666666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 44 coordinates: [ 0.333333333333333, 0.666666666666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 45 coordinates: [ 0.666666666666667, 0.666666666666667, 0.250000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.750000000000000 ] mass: 32.065000 reduced_to: 37 - symbol: La # 55 coordinates: [ 0.222222223333333, 0.111111110000000, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 56 coordinates: [ 0.555555556666667, 0.111111110000000, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 57 coordinates: [ 0.888888890000000, 0.111111110000000, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 58 coordinates: [ 0.222222223333333, 0.444444443333333, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 59 coordinates: [ 0.555555556666667, 0.444444443333333, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 60 coordinates: [ 0.888888890000000, 0.444444443333333, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 61 coordinates: [ 0.222222223333333, 0.777777776666667, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 62 coordinates: [ 0.555555556666667, 0.777777776666667, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 63 coordinates: [ 0.888888890000000, 0.777777776666667, 0.389815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 64 coordinates: [ 0.222222223333333, 0.111111110000000, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 65 coordinates: [ 0.555555556666667, 0.111111110000000, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 66 coordinates: [ 0.888888890000000, 0.111111110000000, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 67 coordinates: [ 0.222222223333333, 0.444444443333333, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 68 coordinates: [ 0.555555556666667, 0.444444443333333, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 69 coordinates: [ 0.888888890000000, 0.444444443333333, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 70 coordinates: [ 0.222222223333333, 0.777777776666667, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 71 coordinates: [ 0.555555556666667, 0.777777776666667, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 72 coordinates: [ 0.888888890000000, 0.777777776666667, 0.889815685000000 ] mass: 138.905470 reduced_to: 55 - symbol: La # 73 coordinates: [ 0.111111110000000, 0.222222223333333, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 74 coordinates: [ 0.444444443333333, 0.222222223333333, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 75 coordinates: [ 0.777777776666667, 0.222222223333333, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 76 coordinates: [ 0.111111110000000, 0.555555556666667, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 77 coordinates: [ 0.444444443333333, 0.555555556666667, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 78 coordinates: [ 0.777777776666667, 0.555555556666667, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 79 coordinates: [ 0.111111110000000, 0.888888890000000, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 80 coordinates: [ 0.444444443333333, 0.888888890000000, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 81 coordinates: [ 0.777777776666667, 0.888888890000000, 0.110184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 82 coordinates: [ 0.111111110000000, 0.222222223333333, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 83 coordinates: [ 0.444444443333333, 0.222222223333333, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 84 coordinates: [ 0.777777776666667, 0.222222223333333, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 85 coordinates: [ 0.111111110000000, 0.555555556666667, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 86 coordinates: [ 0.444444443333333, 0.555555556666667, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 87 coordinates: [ 0.777777776666667, 0.555555556666667, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 88 coordinates: [ 0.111111110000000, 0.888888890000000, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 89 coordinates: [ 0.444444443333333, 0.888888890000000, 0.610184315000000 ] mass: 138.905470 reduced_to: 73 - symbol: La # 90 coordinates: [ 0.777777776666667, 0.888888890000000, 0.610184315000000 ] mass: 138.905470 reduced_to: 73born_effective_charge:- # 1 (O) - [ -2.875731790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.875731790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.903143370000000 ]- # 2 (O) - [ -2.875731790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.875731790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.903143370000000 ]- # 3 (S) - [ -2.141908280000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.141908280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.364326650000000 ]- # 4 (La) - [ 3.946685930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.946685930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.085306690000000 ]- # 5 (La) - [ 3.946685930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.946685930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.085306690000000 ]dielectric_constant: - [ 5.304435650000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.304435650000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.353857200000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0735084100000000, -0.0007926600000000, -0.0000701500000000 ] - [ 0.0083006200000000, -0.0035545500000000, -0.0012827700000000 ] - [ 0.0082355700000000, 0.0035175800000000, 0.0017169800000000 ] - [ -0.0011300900000000, -0.0089254500000000, 0.0017763800000000 ] - [ -0.0011435000000000, 0.0090055700000000, -0.0013518000000000 ] - [ 0.0013152600000000, 0.0000068600000000, 0.0002245700000000 ] - [ -0.0011661200000000, -0.0018831000000000, 0.0002938900000000 ] - [ 0.0013149900000000, 0.0000019000000000, 0.0002261000000000 ] - [ -0.0011070500000000, 0.0019032200000000, 0.0001653500000000 ] - [ -0.0003645800000000, -0.0000008600000000, 0.0002316100000000 ] - [ 0.0001907700000000, 0.0000073000000000, 0.0006255800000000 ] - [ 0.0001954400000000, -0.0000098100000000, -0.0001635400000000 ] - [ -0.0001033000000000, -0.0001638600000000, 0.0001891100000000 ] - [ -0.0001061900000000, 0.0001627800000000, 0.0002732900000000 ] - [ 0.0001922800000000, 0.0000013400000000, 0.0002318300000000 ] - [ -0.0001051700000000, -0.0001785900000000, 0.0005831400000000 ] - [ 0.0001923700000000, -0.0000001900000000, 0.0002304600000000 ] - [ -0.0001041800000000, 0.0001827100000000, -0.0001213100000000 ] - [ -0.0006521800000000, -0.0002580700000000, -0.0005998200000000 ] - [ -0.0006549300000000, 0.0002566400000000, 0.0001494900000000 ] - [ 0.0015992600000000, -0.0000018400000000, -0.0002246500000000 ] - [ 0.0002770700000000, -0.0007614700000000, -0.0002822500000000 ] - [ -0.0003349100000000, -0.0000005900000000, -0.0002269200000000 ] - [ 0.0002733100000000, 0.0007670500000000, -0.0001699100000000 ] - [ -0.0010993700000000, -0.0000007800000000, -0.0002259900000000 ] - [ 0.0007096400000000, -0.0006049500000000, 0.0003786800000000 ] - [ 0.0007103900000000, 0.0006017400000000, -0.0008304800000000 ] - [ 0.0058413500000000, -0.0055687700000000, 0.0129248500000000 ] - [ 0.0058247800000000, 0.0056198400000000, -0.0135530900000000 ] - [ 0.0025726600000000, 0.0000025800000000, -0.0002359700000000 ] - [ 0.0011874900000000, -0.0007902000000000, 0.0000890400000000 ] - [ -0.0025128700000000, 0.0000004200000000, -0.0002336900000000 ] - [ 0.0011924300000000, 0.0008058700000000, -0.0005525600000000 ] - [ -0.0038555100000000, 0.0000545500000000, -0.0001958300000000 ] - [ 0.0004033800000000, -0.0016936200000000, -0.0008742500000000 ] - [ 0.0004130800000000, 0.0016796700000000, 0.0004097600000000 ] - [ 0.0011159700000000, 0.0033354600000000, -0.0052738900000000 ] - [ 0.0010895400000000, -0.0033629300000000, 0.0052941600000000 ] - [ 0.0012679700000000, -0.0000029200000000, 0.0000022600000000 ] - [ 0.0040752200000000, -0.0022850900000000, -0.0043511200000000 ] - [ -0.0046978600000000, -0.0000141700000000, -0.0000094700000000 ] - [ 0.0041061600000000, 0.0023051100000000, 0.0043921500000000 ] - [ 0.0001156400000000, 0.0000169200000000, -0.0000154600000000 ] - [ -0.0000203600000000, -0.0007417000000000, -0.0000088000000000 ] - [ -0.0000182400000000, 0.0007445900000000, 0.0000124000000000 ] - [ -0.0006651800000000, 0.0002502100000000, 0.0003005000000000 ] - [ -0.0006964300000000, -0.0002410000000000, -0.0002808900000000 ] - [ 0.0008306400000000, -0.0000013800000000, -0.0000022100000000 ] - [ 0.0006148100000000, -0.0003251100000000, 0.0007762400000000 ] - [ -0.0011064200000000, -0.0000150400000000, 0.0000067500000000 ] - [ 0.0006141000000000, 0.0003255200000000, -0.0007814500000000 ] - [ 0.0000509400000000, 0.0000046200000000, 0.0000023900000000 ] - [ -0.0000300900000000, -0.0004942800000000, 0.0004050200000000 ] - [ -0.0000271400000000, 0.0004981500000000, -0.0004061600000000 ] - [ 0.0027722600000000, -0.0000009800000000, -0.0052083200000000 ] - [ -0.0015656800000000, 0.0000373500000000, -0.0071270100000000 ] - [ -0.0015708600000000, -0.0000249800000000, -0.0033047700000000 ] - [ 0.0008915800000000, 0.0007827400000000, -0.0045854300000000 ] - [ 0.0009078700000000, -0.0007864300000000, -0.0058438300000000 ] - [ -0.0018285800000000, -0.0000093000000000, -0.0052146500000000 ] - [ 0.0003210500000000, 0.0017286300000000, -0.0064920100000000 ] - [ -0.0006726700000000, 0.0000016200000000, -0.0052133200000000 ] - [ 0.0003150600000000, -0.0017275500000000, -0.0039284800000000 ] - [ 0.0176821200000000, 0.0000248600000000, -0.0052406100000000 ] - [ -0.0043821100000000, 0.0016651100000000, -0.0018871800000000 ] - [ -0.0043805800000000, -0.0016507600000000, -0.0084930300000000 ] - [ 0.0007344000000000, 0.0040574300000000, -0.0079489500000000 ] - [ 0.0007417900000000, -0.0040602600000000, -0.0024492900000000 ] - [ -0.0014646900000000, -0.0000052600000000, -0.0052036100000000 ] - [ 0.0002780700000000, 0.0015623600000000, -0.0046581300000000 ] - [ -0.0007603800000000, -0.0000021200000000, -0.0052043200000000 ] - [ 0.0002367700000000, -0.0015868200000000, -0.0057684100000000 ] - [ 0.0150859500000000, -0.0018536700000000, 0.0027578000000000 ] - [ 0.0161928100000000, 0.0025145100000000, 0.0080920900000000 ] - [ -0.0062996000000000, -0.0000050700000000, 0.0052104300000000 ] - [ -0.0020152000000000, 0.0024488300000000, 0.0053253100000000 ] - [ 0.0041057800000000, -0.0000020600000000, 0.0052043400000000 ] - [ -0.0020325900000000, -0.0024899100000000, 0.0050957700000000 ] - [ 0.0118610300000000, -0.0000380400000000, 0.0052401600000000 ] - [ -0.0023816800000000, 0.0037650700000000, 0.0048659600000000 ] - [ -0.0023896200000000, -0.0037284400000000, 0.0055500400000000 ] - [ 0.0003651200000000, 0.0000724800000000, 0.0051047300000000 ] - [ 0.0003681000000000, -0.0000672200000000, 0.0053034000000000 ] - [ -0.0007802400000000, 0.0000025900000000, 0.0052061400000000 ] - [ -0.0001353200000000, 0.0003703600000000, 0.0048575400000000 ] - [ 0.0002851200000000, 0.0000009200000000, 0.0052064200000000 ] - [ -0.0001349700000000, -0.0003766700000000, 0.0055527400000000 ] - [ 0.0004883300000000, -0.0000008700000000, 0.0052021900000000 ] - [ -0.0002230500000000, 0.0002928100000000, 0.0048649400000000 ] - [ -0.0002284500000000, -0.0002964700000000, 0.0055438700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0751020900000000 ] - [ 0.0014834400000000, -0.0009341200000000, -0.0027996700000000 ] - [ -0.0014834400000000, -0.0009341200000000, -0.0027996700000000 ] - [ 0.0000672500000000, 0.0017517600000000, -0.0027996700000000 ] - [ -0.0000672500000000, 0.0017517600000000, -0.0027996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010147300000000 ] - [ 0.0015506900000000, -0.0008176400000000, -0.0027996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010174100000000 ] - [ -0.0015506900000000, -0.0008176400000000, -0.0027996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024104400000000 ] - [ -0.0003907200000000, -0.0001767700000000, 0.0018391500000000 ] - [ 0.0003907200000000, -0.0001767700000000, 0.0018391500000000 ] - [ 0.0003484500000000, -0.0002499900000000, 0.0018391500000000 ] - [ -0.0003484500000000, -0.0002499900000000, 0.0018391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014720800000000 ] - [ -0.0000422700000000, 0.0004267600000000, 0.0018391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014748100000000 ] - [ 0.0000422700000000, 0.0004267600000000, 0.0018391500000000 ] - [ -0.0003747100000000, 0.0002163400000000, 0.0016627400000000 ] - [ 0.0003747100000000, 0.0002163400000000, 0.0016627400000000 ] - [ 0.0000000000000000, 0.0000676100000000, 0.0010108200000000 ] - [ -0.0000585500000000, -0.0000338100000000, 0.0010108200000000 ] - [ 0.0000000000000000, 0.0006968400000000, 0.0015740600000000 ] - [ 0.0000585500000000, -0.0000338100000000, 0.0010108200000000 ] - [ 0.0000000000000000, -0.0004326700000000, 0.0016627400000000 ] - [ 0.0006034800000000, -0.0003484200000000, 0.0015740600000000 ] - [ -0.0006034800000000, -0.0003484200000000, 0.0015740600000000 ] - [ 0.0131691700000000, -0.0076032300000000, -0.0015270800000000 ] - [ -0.0131691700000000, -0.0076032300000000, -0.0015270800000000 ] - [ 0.0000000000000000, -0.0003686300000000, -0.0015760600000000 ] - [ 0.0003192400000000, 0.0001843100000000, -0.0015760600000000 ] - [ 0.0000000000000000, -0.0007410400000000, -0.0019349000000000 ] - [ -0.0003192400000000, 0.0001843100000000, -0.0015760600000000 ] - [ 0.0000000000000000, 0.0152064500000000, -0.0015270800000000 ] - [ -0.0006417600000000, 0.0003705200000000, -0.0019349000000000 ] - [ 0.0006417600000000, 0.0003705200000000, -0.0019349000000000 ] - [ -0.0039948600000000, -0.0023064300000000, 0.0037943800000000 ] - [ 0.0039948600000000, -0.0023064300000000, 0.0037943800000000 ] - [ 0.0000000000000000, -0.0000373200000000, -0.0000948400000000 ] - [ -0.0009252300000000, 0.0005341800000000, 0.0008058100000000 ] - [ 0.0000000000000000, 0.0046128600000000, 0.0037943800000000 ] - [ 0.0009252300000000, 0.0005341800000000, 0.0008058100000000 ] - [ 0.0000000000000000, -0.0010683700000000, 0.0008058100000000 ] - [ 0.0000323200000000, 0.0000186600000000, -0.0000948400000000 ] - [ -0.0000323200000000, 0.0000186600000000, -0.0000948400000000 ] - [ 0.0033787700000000, 0.0019507300000000, 0.0032458800000000 ] - [ -0.0033787700000000, 0.0019507300000000, 0.0032458800000000 ] - [ 0.0000000000000000, 0.0001191000000000, 0.0004670300000000 ] - [ 0.0004551800000000, -0.0002628000000000, 0.0005687600000000 ] - [ 0.0000000000000000, -0.0039014700000000, 0.0032458800000000 ] - [ -0.0004551800000000, -0.0002628000000000, 0.0005687600000000 ] - [ 0.0000000000000000, 0.0005256000000000, 0.0005687600000000 ] - [ -0.0001031500000000, -0.0000595500000000, 0.0004670300000000 ] - [ 0.0001031500000000, -0.0000595500000000, 0.0004670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096284800000000 ] - [ -0.0011368700000000, -0.0004296700000000, -0.0075937800000000 ] - [ 0.0011368700000000, -0.0004296700000000, -0.0075937800000000 ] - [ 0.0009405400000000, -0.0007697300000000, -0.0075937800000000 ] - [ -0.0009405400000000, -0.0007697300000000, -0.0075937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066853700000000 ] - [ -0.0001963400000000, 0.0011993900000000, -0.0075937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0063683200000000 ] - [ 0.0001963400000000, 0.0011993900000000, -0.0075937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0156049000000000 ] - [ 0.0035172500000000, -0.0010921200000000, -0.0038196200000000 ] - [ -0.0035172500000000, -0.0010921200000000, -0.0038196200000000 ] - [ -0.0008128200000000, 0.0035920900000000, -0.0038196200000000 ] - [ 0.0008128200000000, 0.0035920900000000, -0.0038196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041668300000000 ] - [ 0.0027044300000000, -0.0024999700000000, -0.0038196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041176300000000 ] - [ -0.0027044300000000, -0.0024999700000000, -0.0038196200000000 ] - [ -0.0023326100000000, 0.0013467300000000, 0.0224147100000000 ] - [ 0.0023326100000000, 0.0013467300000000, 0.0224147100000000 ] - [ 0.0000000000000000, -0.0001934700000000, 0.0068553200000000 ] - [ 0.0001675500000000, 0.0000967400000000, 0.0068553200000000 ] - [ 0.0000000000000000, -0.0011067200000000, 0.0077941800000000 ] - [ -0.0001675500000000, 0.0000967400000000, 0.0068553200000000 ] - [ 0.0000000000000000, -0.0026934700000000, 0.0224147100000000 ] - [ -0.0009584400000000, 0.0005533600000000, 0.0077941800000000 ] - [ 0.0009584400000000, 0.0005533600000000, 0.0077941800000000 ] - [ -0.0006861100000000, 0.0003961200000000, 0.0022229200000000 ] - [ 0.0006861100000000, 0.0003961200000000, 0.0022229200000000 ] - [ 0.0000000000000000, 0.0000894600000000, 0.0036230000000000 ] - [ -0.0000774800000000, -0.0000447300000000, 0.0036230000000000 ] - [ 0.0000000000000000, 0.0007366200000000, 0.0028873100000000 ] - [ 0.0000774800000000, -0.0000447300000000, 0.0036230000000000 ] - [ 0.0000000000000000, -0.0007922500000000, 0.0022229200000000 ] - [ 0.0006379300000000, -0.0003683100000000, 0.0028873100000000 ] - [ -0.0006379300000000, -0.0003683100000000, 0.0028873100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0775822300000000 ] - [ -0.0015171800000000, 0.0009465600000000, 0.0032781200000000 ] - [ 0.0015171800000000, 0.0009465600000000, 0.0032781200000000 ] - [ -0.0000611600000000, -0.0017871900000000, 0.0032781200000000 ] - [ 0.0000611600000000, -0.0017871900000000, 0.0032781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014873400000000 ] - [ -0.0015783400000000, 0.0008406300000000, 0.0032781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014824900000000 ] - [ 0.0015783400000000, 0.0008406300000000, 0.0032781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019675400000000 ] - [ 0.0003986300000000, 0.0001806300000000, -0.0013947700000000 ] - [ -0.0003986300000000, 0.0001806300000000, -0.0013947700000000 ] - [ -0.0003557400000000, 0.0002549100000000, -0.0013947700000000 ] - [ 0.0003557400000000, 0.0002549100000000, -0.0013947700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010293200000000 ] - [ 0.0000428900000000, -0.0004355400000000, -0.0013947700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010237600000000 ] - [ -0.0000428900000000, -0.0004355400000000, -0.0013947700000000 ] - [ 0.0003708700000000, -0.0002141200000000, -0.0021251600000000 ] - [ -0.0003708700000000, -0.0002141200000000, -0.0021251600000000 ] - [ 0.0000000000000000, -0.0000722300000000, -0.0014785600000000 ] - [ 0.0000625500000000, 0.0000361100000000, -0.0014785600000000 ] - [ 0.0000000000000000, -0.0007029800000000, -0.0020342100000000 ] - [ -0.0000625500000000, 0.0000361100000000, -0.0014785600000000 ] - [ 0.0000000000000000, 0.0004282400000000, -0.0021251600000000 ] - [ -0.0006087900000000, 0.0003514900000000, -0.0020342100000000 ] - [ 0.0006087900000000, 0.0003514900000000, -0.0020342100000000 ] - [ -0.0133087100000000, 0.0076837900000000, 0.0011480100000000 ] - [ 0.0133087100000000, 0.0076837900000000, 0.0011480100000000 ] - [ 0.0000000000000000, 0.0003716500000000, 0.0011299200000000 ] - [ -0.0003218600000000, -0.0001858300000000, 0.0011299200000000 ] - [ 0.0000000000000000, 0.0007361000000000, 0.0014852800000000 ] - [ 0.0003218600000000, -0.0001858300000000, 0.0011299200000000 ] - [ 0.0000000000000000, -0.0153675800000000, 0.0011480100000000 ] - [ 0.0006374800000000, -0.0003680500000000, 0.0014852800000000 ] - [ -0.0006374800000000, -0.0003680500000000, 0.0014852800000000 ] - [ 0.0039571800000000, 0.0022846800000000, -0.0037880300000000 ] - [ -0.0039571800000000, 0.0022846800000000, -0.0037880300000000 ] - [ 0.0000000000000000, 0.0000424700000000, 0.0000896000000000 ] - [ 0.0009433000000000, -0.0005446200000000, -0.0008368500000000 ] - [ 0.0000000000000000, -0.0045693600000000, -0.0037880300000000 ] - [ -0.0009433000000000, -0.0005446200000000, -0.0008368500000000 ] - [ 0.0000000000000000, 0.0010892300000000, -0.0008368500000000 ] - [ -0.0000367800000000, -0.0000212300000000, 0.0000896000000000 ] - [ 0.0000367800000000, -0.0000212300000000, 0.0000896000000000 ] - [ -0.0034278600000000, -0.0019790800000000, -0.0032809200000000 ] - [ 0.0034278600000000, -0.0019790800000000, -0.0032809200000000 ] - [ 0.0000000000000000, -0.0001161800000000, -0.0004690000000000 ] - [ -0.0004517400000000, 0.0002608100000000, -0.0005701900000000 ] - [ 0.0000000000000000, 0.0039581500000000, -0.0032809200000000 ] - [ 0.0004517400000000, 0.0002608100000000, -0.0005701900000000 ] - [ 0.0000000000000000, -0.0005216200000000, -0.0005701900000000 ] - [ 0.0001006100000000, 0.0000580900000000, -0.0004690000000000 ] - [ -0.0001006100000000, 0.0000580900000000, -0.0004690000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007611100000000 ] - [ 0.0011462100000000, 0.0004278500000000, -0.0027684100000000 ] - [ -0.0011462100000000, 0.0004278500000000, -0.0027684100000000 ] - [ -0.0009436300000000, 0.0007787200000000, -0.0027684100000000 ] - [ 0.0009436300000000, 0.0007787200000000, -0.0027684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037454800000000 ] - [ 0.0002025700000000, -0.0012065700000000, -0.0027684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040275300000000 ] - [ -0.0002025700000000, -0.0012065700000000, -0.0027684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0280362600000000 ] - [ -0.0035563200000000, 0.0010891900000000, -0.0066264500000000 ] - [ 0.0035563200000000, 0.0010891900000000, -0.0066264500000000 ] - [ 0.0008348900000000, -0.0036244600000000, -0.0066264500000000 ] - [ -0.0008348900000000, -0.0036244600000000, -0.0066264500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062515300000000 ] - [ -0.0027214300000000, 0.0025352700000000, -0.0066264500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0063423500000000 ] - [ 0.0027214300000000, 0.0025352700000000, -0.0066264500000000 ] - [ 0.0021521700000000, -0.0012425600000000, -0.0120482000000000 ] - [ -0.0021521700000000, -0.0012425600000000, -0.0120482000000000 ] - [ 0.0000000000000000, 0.0002174600000000, 0.0035608900000000 ] - [ -0.0001883200000000, -0.0001087300000000, 0.0035608900000000 ] - [ 0.0000000000000000, 0.0010957300000000, 0.0026320200000000 ] - [ 0.0001883200000000, -0.0001087300000000, 0.0035608900000000 ] - [ 0.0000000000000000, 0.0024851200000000, -0.0120482000000000 ] - [ 0.0009489300000000, -0.0005478600000000, 0.0026320200000000 ] - [ -0.0009489300000000, -0.0005478600000000, 0.0026320200000000 ] - [ 0.0006822200000000, -0.0003938800000000, 0.0081880900000000 ] - [ -0.0006822200000000, -0.0003938800000000, 0.0081880900000000 ] - [ 0.0000000000000000, -0.0001688000000000, 0.0067741600000000 ] - [ 0.0001461800000000, 0.0000844000000000, 0.0067741600000000 ] - [ 0.0000000000000000, -0.0007748200000000, 0.0075237600000000 ] - [ -0.0001461800000000, 0.0000844000000000, 0.0067741600000000 ] - [ 0.0000000000000000, 0.0007877600000000, 0.0081880900000000 ] - [ -0.0006710200000000, 0.0003874100000000, 0.0075237600000000 ] - [ 0.0006710200000000, 0.0003874100000000, 0.0075237600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010975300000000, 0.0033613500000000, -0.0037539400000000 ] - [ 0.0012673700000000, 0.0000028400000000, 0.0002300500000000 ] - [ 0.0011085900000000, -0.0033374500000000, 0.0041988400000000 ] - [ 0.0001162800000000, -0.0000144500000000, 0.0002345700000000 ] - [ -0.0000196300000000, 0.0007438200000000, 0.0001979800000000 ] - [ -0.0000193700000000, -0.0007420900000000, 0.0002658200000000 ] - [ 0.0040959400000000, -0.0023002800000000, -0.0007044500000000 ] - [ 0.0040854100000000, 0.0022890100000000, 0.0011657200000000 ] - [ -0.0046981700000000, 0.0000029800000000, 0.0002424900000000 ] - [ -0.0006830000000000, 0.0002432500000000, 0.0036437000000000 ] - [ 0.0008311100000000, -0.0000004500000000, 0.0002329700000000 ] - [ -0.0006791500000000, -0.0002482700000000, -0.0031631400000000 ] - [ 0.0000505900000000, 0.0000007000000000, 0.0002307900000000 ] - [ -0.0000278500000000, 0.0004981300000000, 0.0003336400000000 ] - [ -0.0000292700000000, -0.0004948100000000, 0.0001277300000000 ] - [ 0.0006138200000000, -0.0003257300000000, 0.0006878500000000 ] - [ 0.0006153100000000, 0.0003254100000000, -0.0002252700000000 ] - [ -0.0011067200000000, -0.0000009500000000, 0.0002200600000000 ] - [ -0.0046981700000000, -0.0000029800000000, -0.0002424900000000 ] - [ 0.0040959400000000, 0.0023002800000000, 0.0007044500000000 ] - [ 0.0040854100000000, -0.0022890100000000, -0.0011657200000000 ] - [ -0.0000196300000000, -0.0007438200000000, -0.0001979800000000 ] - [ -0.0000193700000000, 0.0007420900000000, -0.0002658200000000 ] - [ 0.0001162800000000, 0.0000144500000000, -0.0002345700000000 ] - [ 0.0010975300000000, -0.0033613500000000, 0.0037539400000000 ] - [ 0.0012673700000000, -0.0000028400000000, -0.0002300500000000 ] - [ 0.0011085900000000, 0.0033374500000000, -0.0041988400000000 ] - [ -0.0011067200000000, 0.0000009500000000, -0.0002200600000000 ] - [ 0.0006138200000000, 0.0003257300000000, -0.0006878500000000 ] - [ 0.0006153100000000, -0.0003254100000000, 0.0002252700000000 ] - [ -0.0000278500000000, -0.0004981300000000, -0.0003336400000000 ] - [ -0.0000292700000000, 0.0004948100000000, -0.0001277300000000 ] - [ 0.0000505900000000, -0.0000007000000000, -0.0002307900000000 ] - [ -0.0006830000000000, -0.0002432500000000, -0.0036437000000000 ] - [ 0.0008311100000000, 0.0000004500000000, -0.0002329700000000 ] - [ -0.0006791500000000, 0.0002482700000000, 0.0031631400000000 ] - [ -0.0512179000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0040945700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0040636900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002235800000000, -0.0022270300000000, 0.0005506800000000 ] - [ 0.0002170600000000, 0.0022288400000000, -0.0005553000000000 ] - [ 0.0005830700000000, 0.0000018000000000, -0.0000002100000000 ] - [ 0.0002170600000000, -0.0022288400000000, 0.0005553000000000 ] - [ 0.0005830700000000, -0.0000018000000000, 0.0000002100000000 ] - [ 0.0002235800000000, 0.0022270300000000, -0.0005506800000000 ] - [ -0.0010179000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003979200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003981100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001187800000000, -0.0002977000000000, 0.0000390200000000 ] - [ -0.0001189800000000, 0.0002993100000000, -0.0000379200000000 ] - [ 0.0002641400000000, 0.0000009900000000, 0.0000001200000000 ] - [ -0.0001189800000000, -0.0002993100000000, 0.0000379200000000 ] - [ 0.0002641400000000, -0.0000009900000000, -0.0000001200000000 ] - [ -0.0001187800000000, 0.0002977000000000, -0.0000390200000000 ] - [ 0.0077982700000000, 0.0010890500000000, -0.0033493300000000 ] - [ -0.0035861800000000, -0.0000039500000000, -0.0052052800000000 ] - [ 0.0075774500000000, -0.0009281700000000, -0.0068022900000000 ] - [ 0.0007160300000000, 0.0000026100000000, -0.0051983200000000 ] - [ -0.0004059600000000, -0.0018390100000000, -0.0048764700000000 ] - [ -0.0004051700000000, 0.0018335400000000, -0.0055209500000000 ] - [ -0.0018844700000000, 0.0015075600000000, -0.0058972100000000 ] - [ -0.0018942400000000, -0.0015009600000000, -0.0045047800000000 ] - [ 0.0059420200000000, 0.0000047800000000, -0.0051996800000000 ] - [ 0.0004545800000000, -0.0007458200000000, -0.0037474400000000 ] - [ -0.0008329500000000, -0.0000015400000000, -0.0051976900000000 ] - [ 0.0004539600000000, 0.0007363500000000, -0.0066540300000000 ] - [ -0.0000240700000000, -0.0000004700000000, -0.0052014000000000 ] - [ 0.0000008900000000, -0.0004820500000000, -0.0050817700000000 ] - [ 0.0000012200000000, 0.0004811300000000, -0.0053183100000000 ] - [ -0.0008412100000000, 0.0004739400000000, -0.0042995000000000 ] - [ -0.0008361600000000, -0.0004661400000000, -0.0060956700000000 ] - [ 0.0017378600000000, 0.0000057300000000, -0.0051989700000000 ] - [ 0.0059420200000000, -0.0000047800000000, 0.0051996800000000 ] - [ -0.0018844700000000, -0.0015075600000000, 0.0058972100000000 ] - [ -0.0018942400000000, 0.0015009600000000, 0.0045047800000000 ] - [ -0.0004059600000000, 0.0018390100000000, 0.0048764700000000 ] - [ -0.0004051700000000, -0.0018335400000000, 0.0055209500000000 ] - [ 0.0007160300000000, -0.0000026100000000, 0.0051983200000000 ] - [ 0.0077982700000000, -0.0010890500000000, 0.0033493300000000 ] - [ -0.0035861800000000, 0.0000039500000000, 0.0052052800000000 ] - [ 0.0075774500000000, 0.0009281700000000, 0.0068022900000000 ] - [ 0.0017378600000000, -0.0000057300000000, 0.0051989700000000 ] - [ -0.0008412100000000, -0.0004739400000000, 0.0042995000000000 ] - [ -0.0008361600000000, 0.0004661400000000, 0.0060956700000000 ] - [ 0.0000008900000000, 0.0004820500000000, 0.0050817700000000 ] - [ 0.0000012200000000, -0.0004811300000000, 0.0053183100000000 ] - [ -0.0000240700000000, 0.0000004700000000, 0.0052014000000000 ] - [ 0.0004545800000000, 0.0007458200000000, 0.0037474400000000 ] - [ -0.0008329500000000, 0.0000015400000000, 0.0051976900000000 ] - [ 0.0004539600000000, -0.0007363500000000, 0.0066540300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0052652800000000, -0.0030399100000000, 0.0040188700000000 ] - [ 0.0000000000000000, 0.0000126700000000, 0.0001425500000000 ] - [ 0.0052652800000000, -0.0030399100000000, 0.0040188700000000 ] - [ 0.0000000000000000, -0.0050373200000000, 0.0010546300000000 ] - [ 0.0000109700000000, -0.0000063300000000, 0.0001425500000000 ] - [ -0.0000109700000000, -0.0000063300000000, 0.0001425500000000 ] - [ -0.0043624500000000, 0.0025186600000000, 0.0010546300000000 ] - [ 0.0043624500000000, 0.0025186600000000, 0.0010546300000000 ] - [ 0.0000000000000000, 0.0060798200000000, 0.0040188700000000 ] - [ 0.0002906400000000, 0.0001678000000000, 0.0034962500000000 ] - [ 0.0000000000000000, -0.0004691900000000, 0.0007010900000000 ] - [ -0.0002906400000000, 0.0001678000000000, 0.0034962500000000 ] - [ 0.0000000000000000, 0.0008995400000000, 0.0008027200000000 ] - [ -0.0004063300000000, 0.0002345900000000, 0.0007010900000000 ] - [ 0.0004063300000000, 0.0002345900000000, 0.0007010900000000 ] - [ 0.0007790200000000, -0.0004497700000000, 0.0008027200000000 ] - [ -0.0007790200000000, -0.0004497700000000, 0.0008027200000000 ] - [ 0.0000000000000000, -0.0003356000000000, 0.0034962500000000 ] - [ 0.0000000000000000, 0.0061220900000000, 0.0035621200000000 ] - [ 0.0043797200000000, 0.0025286300000000, 0.0005871600000000 ] - [ -0.0043797200000000, 0.0025286300000000, 0.0005871600000000 ] - [ -0.0000111300000000, -0.0000064300000000, -0.0003276700000000 ] - [ 0.0000111300000000, -0.0000064300000000, -0.0003276700000000 ] - [ 0.0000000000000000, -0.0050572700000000, 0.0005871600000000 ] - [ 0.0053018800000000, -0.0030610400000000, 0.0035621200000000 ] - [ 0.0000000000000000, 0.0000128500000000, -0.0003276700000000 ] - [ -0.0053018800000000, -0.0030610400000000, 0.0035621200000000 ] - [ 0.0000000000000000, -0.0003351900000000, 0.0030301100000000 ] - [ -0.0007792600000000, -0.0004499100000000, 0.0003357000000000 ] - [ 0.0007792600000000, -0.0004499100000000, 0.0003357000000000 ] - [ 0.0004059800000000, 0.0002343900000000, 0.0002332800000000 ] - [ -0.0004059800000000, 0.0002343900000000, 0.0002332800000000 ] - [ 0.0000000000000000, 0.0008998100000000, 0.0003357000000000 ] - [ -0.0002902800000000, 0.0001675900000000, 0.0030301100000000 ] - [ 0.0000000000000000, -0.0004687900000000, 0.0002332800000000 ] - [ 0.0002902800000000, 0.0001675900000000, 0.0030301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0644046700000000 ] - [ -0.0000068300000000, -0.0006385700000000, -0.0027329100000000 ] - [ 0.0000068300000000, -0.0006385700000000, -0.0027329100000000 ] - [ 0.0005564300000000, 0.0003133700000000, -0.0027329100000000 ] - [ -0.0005564300000000, 0.0003133700000000, -0.0027329100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013500800000000 ] - [ 0.0005496000000000, 0.0003252000000000, -0.0027329100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013500900000000 ] - [ -0.0005496000000000, 0.0003252000000000, -0.0027329100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020337700000000 ] - [ 0.0000002100000000, -0.0000450100000000, 0.0012121600000000 ] - [ -0.0000002100000000, -0.0000450100000000, 0.0012121600000000 ] - [ 0.0000388700000000, 0.0000226800000000, 0.0012121600000000 ] - [ -0.0000388700000000, 0.0000226800000000, 0.0012121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009550500000000 ] - [ 0.0000390800000000, 0.0000223300000000, 0.0012121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009546200000000 ] - [ -0.0000390800000000, 0.0000223300000000, 0.0012121600000000 ] - [ 0.0001670600000000, 0.0000964500000000, 0.0015420300000000 ] - [ 0.0000000000000000, 0.0010647400000000, -0.0038530500000000 ] - [ -0.0001670600000000, 0.0000964500000000, 0.0015420300000000 ] - [ 0.0000000000000000, -0.0022138100000000, -0.0037439000000000 ] - [ 0.0009221000000000, -0.0005323700000000, -0.0038530500000000 ] - [ -0.0009221000000000, -0.0005323700000000, -0.0038530500000000 ] - [ -0.0019172200000000, 0.0011069100000000, -0.0037439000000000 ] - [ 0.0019172200000000, 0.0011069100000000, -0.0037439000000000 ] - [ 0.0000000000000000, -0.0001929000000000, 0.0015420300000000 ] - [ 0.0008287100000000, 0.0004784500000000, -0.0086214600000000 ] - [ 0.0000000000000000, 0.0000885600000000, -0.0061707700000000 ] - [ -0.0008287100000000, 0.0004784500000000, -0.0086214600000000 ] - [ 0.0000000000000000, 0.0006933800000000, -0.0071373500000000 ] - [ 0.0000767000000000, -0.0000442800000000, -0.0061707700000000 ] - [ -0.0000767000000000, -0.0000442800000000, -0.0061707700000000 ] - [ 0.0006004900000000, -0.0003466900000000, -0.0071373500000000 ] - [ -0.0006004900000000, -0.0003466900000000, -0.0071373500000000 ] - [ 0.0000000000000000, -0.0009569100000000, -0.0086214600000000 ] - [ 0.0000000000000000, 0.0000599500000000, 0.0117909500000000 ] - [ 0.0019163800000000, 0.0011064200000000, 0.0066858200000000 ] - [ -0.0019163800000000, 0.0011064200000000, 0.0066858200000000 ] - [ -0.0009157100000000, -0.0005286900000000, 0.0065806300000000 ] - [ 0.0009157100000000, -0.0005286900000000, 0.0065806300000000 ] - [ 0.0000000000000000, -0.0022128500000000, 0.0066858200000000 ] - [ 0.0000519200000000, -0.0000299700000000, 0.0117909500000000 ] - [ 0.0000000000000000, 0.0010573700000000, 0.0065806300000000 ] - [ -0.0000519200000000, -0.0000299700000000, 0.0117909500000000 ] - [ 0.0000000000000000, -0.0009583600000000, 0.0018140700000000 ] - [ -0.0006010700000000, -0.0003470300000000, 0.0033022100000000 ] - [ 0.0006010700000000, -0.0003470300000000, 0.0033022100000000 ] - [ -0.0000750200000000, -0.0000433200000000, 0.0042693300000000 ] - [ 0.0000750200000000, -0.0000433200000000, 0.0042693300000000 ] - [ 0.0000000000000000, 0.0006940600000000, 0.0033022100000000 ] - [ -0.0008299700000000, 0.0004791800000000, 0.0018140700000000 ] - [ 0.0000000000000000, 0.0000866300000000, 0.0042693300000000 ] - [ 0.0008299700000000, 0.0004791800000000, 0.0018140700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027764500000000, -0.0000016700000000, 0.0002325100000000 ] - [ -0.0015599900000000, -0.0006365400000000, 0.0013744600000000 ] - [ -0.0015656000000000, 0.0006428300000000, -0.0009069900000000 ] - [ 0.0003226600000000, 0.0011183900000000, 0.0000384900000000 ] - [ 0.0003247600000000, -0.0011220100000000, 0.0004286200000000 ] - [ -0.0006683400000000, -0.0000032000000000, 0.0002346100000000 ] - [ 0.0009020900000000, 0.0013918600000000, 0.0011782200000000 ] - [ -0.0018223800000000, -0.0000039400000000, 0.0002326200000000 ] - [ 0.0009070600000000, -0.0013945700000000, -0.0007122000000000 ] - [ 0.0176857900000000, 0.0000263000000000, 0.0002733900000000 ] - [ -0.0043847700000000, 0.0011067900000000, -0.0033271400000000 ] - [ -0.0043661500000000, -0.0010996900000000, 0.0037540700000000 ] - [ 0.0002663600000000, 0.0043276500000000, 0.0029365400000000 ] - [ 0.0002600700000000, -0.0043431900000000, -0.0024895000000000 ] - [ -0.0007555800000000, -0.0000071100000000, 0.0002303900000000 ] - [ 0.0007650000000000, 0.0012897300000000, -0.0005886400000000 ] - [ -0.0014576200000000, -0.0000003900000000, 0.0002300700000000 ] - [ 0.0007209100000000, -0.0013054300000000, 0.0010657800000000 ] - [ 0.0150709600000000, -0.0018363200000000, -0.0022967200000000 ] - [ 0.0162221200000000, 0.0025349600000000, 0.0021976300000000 ] - [ -0.0062950900000000, -0.0000125900000000, -0.0002398600000000 ] - [ -0.0020146200000000, 0.0024575800000000, -0.0000572500000000 ] - [ 0.0041110300000000, -0.0000007800000000, -0.0002347200000000 ] - [ -0.0020218800000000, -0.0024806700000000, -0.0004128500000000 ] - [ 0.0118639700000000, -0.0000889300000000, -0.0002139000000000 ] - [ -0.0023787900000000, 0.0037700700000000, -0.0011913700000000 ] - [ -0.0023822000000000, -0.0037259900000000, 0.0007179100000000 ] - [ 0.0003706600000000, 0.0000710900000000, -0.0009167400000000 ] - [ 0.0003715500000000, -0.0000698800000000, 0.0004529700000000 ] - [ -0.0007763100000000, 0.0000004900000000, -0.0002306700000000 ] - [ -0.0001293800000000, 0.0003724200000000, -0.0003372700000000 ] - [ 0.0002901400000000, -0.0000001400000000, -0.0002324400000000 ] - [ -0.0001298400000000, -0.0003745900000000, -0.0001261100000000 ] - [ 0.0004938100000000, -0.0000001700000000, -0.0002300500000000 ] - [ -0.0002201100000000, 0.0002958500000000, 0.0004189800000000 ] - [ -0.0002219300000000, -0.0002940500000000, -0.0008882300000000 ] - [ 0.0075517900000000, 0.0009373100000000, -0.0000738500000000 ] - [ 0.0078325000000000, -0.0010828600000000, -0.0001917500000000 ] - [ -0.0035777700000000, 0.0000064300000000, 0.0000123100000000 ] - [ -0.0018783600000000, 0.0014958400000000, -0.0019076100000000 ] - [ 0.0059434100000000, -0.0000377900000000, 0.0000396600000000 ] - [ -0.0018867600000000, -0.0015092200000000, 0.0019247700000000 ] - [ 0.0007198500000000, -0.0000058100000000, -0.0000071200000000 ] - [ -0.0003971800000000, 0.0018308800000000, -0.0009177900000000 ] - [ -0.0004024100000000, -0.0018386900000000, 0.0009188700000000 ] - [ 0.0004520500000000, -0.0007383800000000, 0.0008319200000000 ] - [ 0.0004671300000000, 0.0007450300000000, -0.0008247500000000 ] - [ -0.0008284800000000, 0.0000012600000000, -0.0000033100000000 ] - [ -0.0008355200000000, 0.0004701500000000, 0.0005985100000000 ] - [ 0.0017443600000000, 0.0000011200000000, -0.0000013600000000 ] - [ -0.0008338800000000, -0.0004728800000000, -0.0006039500000000 ] - [ -0.0000180300000000, -0.0000070300000000, 0.0000045700000000 ] - [ 0.0000063300000000, 0.0004812100000000, -0.0000764800000000 ] - [ 0.0000044800000000, -0.0004819400000000, 0.0000731900000000 ] - [ -0.1159031400000000, -0.0005466200000000, -0.0054811900000000 ] - [ 0.0244044200000000, -0.0036282300000000, -0.0063753900000000 ] - [ 0.0241032100000000, 0.0035850700000000, -0.0040826200000000 ] - [ 0.0004183400000000, -0.0173119300000000, -0.0018918900000000 ] - [ 0.0004053800000000, 0.0174344800000000, -0.0085801700000000 ] - [ 0.0026963800000000, 0.0000135300000000, -0.0052231500000000 ] - [ 0.0003531800000000, -0.0101559400000000, -0.0030094600000000 ] - [ 0.0026979600000000, -0.0000064600000000, -0.0052283600000000 ] - [ 0.0004672900000000, 0.0101602100000000, -0.0074103900000000 ] - [ -0.0010598800000000, 0.0000000400000000, -0.0052331300000000 ] - [ 0.0005293700000000, 0.0000275300000000, -0.0055587900000000 ] - [ 0.0005275300000000, -0.0000282600000000, -0.0048925400000000 ] - [ -0.0002517400000000, -0.0004231300000000, -0.0050810900000000 ] - [ -0.0002559600000000, 0.0004258500000000, -0.0053735200000000 ] - [ 0.0005019100000000, 0.0000033800000000, -0.0052281900000000 ] - [ -0.0002535700000000, -0.0004782800000000, -0.0054154500000000 ] - [ 0.0005059700000000, -0.0000018900000000, -0.0052231400000000 ] - [ -0.0002564100000000, 0.0004808600000000, -0.0050429400000000 ] - [ -0.0007120700000000, -0.0039803200000000, 0.0101904100000000 ] - [ -0.0007152800000000, 0.0039806600000000, 0.0002440300000000 ] - [ 0.0028139200000000, -0.0000001500000000, 0.0052148800000000 ] - [ 0.0001980600000000, -0.0015065400000000, 0.0060707000000000 ] - [ -0.0002242700000000, 0.0000014100000000, 0.0052259700000000 ] - [ 0.0001981700000000, 0.0015156900000000, 0.0043735700000000 ] - [ -0.0076140200000000, 0.0000048600000000, 0.0052355600000000 ] - [ 0.0038544700000000, -0.0023577300000000, 0.0024475800000000 ] - [ 0.0038566500000000, 0.0023499900000000, 0.0079978300000000 ] - [ 0.0007038400000000, -0.0026793400000000, -0.0137531700000000 ] - [ 0.0006275000000000, 0.0026800600000000, 0.0243659900000000 ] - [ 0.0042374200000000, 0.0000071200000000, 0.0052372000000000 ] - [ 0.0013358900000000, -0.0016622900000000, 0.0047233400000000 ] - [ -0.0026611800000000, -0.0000017100000000, 0.0052315300000000 ] - [ 0.0013429900000000, 0.0016836000000000, 0.0057283900000000 ] - [ -0.0039788100000000, 0.0000413700000000, 0.0051583700000000 ] - [ 0.0012249900000000, -0.0022641000000000, 0.0072467300000000 ] - [ 0.0012431800000000, 0.0022383900000000, 0.0032320800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0041972700000000 ] - [ 0.0019061800000000, 0.0003799100000000, -0.0021858900000000 ] - [ -0.0019061800000000, 0.0003799100000000, -0.0021858900000000 ] - [ -0.0012821000000000, 0.0014608500000000, -0.0021858900000000 ] - [ 0.0012821000000000, 0.0014608500000000, -0.0021858900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009449100000000 ] - [ 0.0006240800000000, -0.0018407600000000, -0.0021858900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012594400000000 ] - [ -0.0006240800000000, -0.0018407600000000, -0.0021858900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0231291500000000 ] - [ -0.0033106000000000, 0.0012683700000000, 0.0016427400000000 ] - [ 0.0033106000000000, 0.0012683700000000, 0.0016427400000000 ] - [ 0.0005568600000000, -0.0035012500000000, 0.0016427400000000 ] - [ -0.0005568600000000, -0.0035012500000000, 0.0016427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013398300000000 ] - [ -0.0027537400000000, 0.0022328800000000, 0.0016427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012721400000000 ] - [ 0.0027537400000000, 0.0022328800000000, 0.0016427400000000 ] - [ -0.0027657100000000, 0.0015967800000000, 0.0170579800000000 ] - [ 0.0027657100000000, 0.0015967800000000, 0.0170579800000000 ] - [ 0.0000000000000000, -0.0001293900000000, 0.0014325000000000 ] - [ 0.0001120600000000, 0.0000647000000000, 0.0014325000000000 ] - [ 0.0000000000000000, -0.0003914200000000, 0.0023709400000000 ] - [ -0.0001120600000000, 0.0000647000000000, 0.0014325000000000 ] - [ 0.0000000000000000, -0.0031935700000000, 0.0170579800000000 ] - [ -0.0003389800000000, 0.0001957100000000, 0.0023709400000000 ] - [ 0.0003389800000000, 0.0001957100000000, 0.0023709400000000 ] - [ -0.0000958300000000, 0.0000553300000000, -0.0032042200000000 ] - [ 0.0000958300000000, 0.0000553300000000, -0.0032042200000000 ] - [ 0.0000000000000000, 0.0003999400000000, -0.0017961800000000 ] - [ -0.0003463600000000, -0.0001999700000000, -0.0017961800000000 ] - [ 0.0000000000000000, -0.0003949600000000, -0.0025460300000000 ] - [ 0.0003463600000000, -0.0001999700000000, -0.0017961800000000 ] - [ 0.0000000000000000, -0.0001106600000000, -0.0032042200000000 ] - [ -0.0003420500000000, 0.0001974800000000, -0.0025460300000000 ] - [ 0.0003420500000000, 0.0001974800000000, -0.0025460300000000 ] - [ 0.0016163300000000, 0.0009331900000000, 0.0065642800000000 ] - [ -0.0016163300000000, 0.0009331900000000, 0.0065642800000000 ] - [ 0.0000000000000000, 0.0003702400000000, 0.0013654500000000 ] - [ -0.0006966400000000, 0.0004022100000000, 0.0014679000000000 ] - [ 0.0000000000000000, -0.0018663700000000, 0.0065642800000000 ] - [ 0.0006966400000000, 0.0004022100000000, 0.0014679000000000 ] - [ 0.0000000000000000, -0.0008044100000000, 0.0014679000000000 ] - [ -0.0003206400000000, -0.0001851200000000, 0.0013654500000000 ] - [ 0.0003206400000000, -0.0001851200000000, 0.0013654500000000 ] - [ 0.0014593300000000, 0.0008425500000000, -0.0034075400000000 ] - [ -0.0014593300000000, 0.0008425500000000, -0.0034075400000000 ] - [ 0.0000000000000000, 0.0001377100000000, -0.0009480200000000 ] - [ 0.0008994400000000, -0.0005192900000000, -0.0019169000000000 ] - [ 0.0000000000000000, -0.0016850900000000, -0.0034075400000000 ] - [ -0.0008994400000000, -0.0005192900000000, -0.0019169000000000 ] - [ 0.0000000000000000, 0.0010385800000000, -0.0019169000000000 ] - [ -0.0001192600000000, -0.0000688600000000, -0.0009480200000000 ] - [ 0.0001192600000000, -0.0000688600000000, -0.0009480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1238013900000000 ] - [ 0.0011064200000000, -0.0031858600000000, -0.0130215900000000 ] - [ -0.0011064200000000, -0.0031858600000000, -0.0130215900000000 ] - [ 0.0022058300000000, 0.0025511200000000, -0.0130215900000000 ] - [ -0.0022058300000000, 0.0025511200000000, -0.0130215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077756800000000 ] - [ 0.0033122500000000, 0.0006347400000000, -0.0130215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077781500000000 ] - [ -0.0033122500000000, 0.0006347400000000, -0.0130215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002265700000000 ] - [ 0.0003396300000000, 0.0000221000000000, -0.0019167300000000 ] - [ -0.0003396300000000, 0.0000221000000000, -0.0019167300000000 ] - [ -0.0001889500000000, 0.0002830800000000, -0.0019167300000000 ] - [ 0.0001889500000000, 0.0002830800000000, -0.0019167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029070500000000 ] - [ 0.0001506800000000, -0.0003051800000000, -0.0019167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029013500000000 ] - [ -0.0001506800000000, -0.0003051800000000, -0.0019167300000000 ] - [ 0.0049425700000000, -0.0028535900000000, 0.0131127400000000 ] - [ -0.0049425700000000, -0.0028535900000000, 0.0131127400000000 ] - [ 0.0000000000000000, -0.0009815400000000, 0.0060212700000000 ] - [ 0.0008500400000000, 0.0004907700000000, 0.0060212700000000 ] - [ 0.0000000000000000, -0.0031913000000000, 0.0090997000000000 ] - [ -0.0008500400000000, 0.0004907700000000, 0.0060212700000000 ] - [ 0.0000000000000000, 0.0057071800000000, 0.0131127400000000 ] - [ -0.0027637500000000, 0.0015956500000000, 0.0090997000000000 ] - [ 0.0027637500000000, 0.0015956500000000, 0.0090997000000000 ] - [ -0.0191985900000000, 0.0110843100000000, 0.0183079400000000 ] - [ 0.0191985900000000, 0.0110843100000000, 0.0183079400000000 ] - [ 0.0000000000000000, 0.0005745500000000, 0.0049428900000000 ] - [ -0.0004975700000000, -0.0002872700000000, 0.0049428900000000 ] - [ 0.0000000000000000, 0.0023197500000000, 0.0049041000000000 ] - [ 0.0004975700000000, -0.0002872700000000, 0.0049428900000000 ] - [ 0.0000000000000000, -0.0221686200000000, 0.0183079400000000 ] - [ 0.0020089600000000, -0.0011598700000000, 0.0049041000000000 ] - [ -0.0020089600000000, -0.0011598700000000, 0.0049041000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0046770700000000 ] - [ -0.0019160800000000, -0.0003744400000000, 0.0026391500000000 ] - [ 0.0019160800000000, -0.0003744400000000, 0.0026391500000000 ] - [ 0.0012823100000000, -0.0014721600000000, 0.0026391500000000 ] - [ -0.0012823100000000, -0.0014721600000000, 0.0026391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013940600000000 ] - [ -0.0006337700000000, 0.0018465900000000, 0.0026391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017061300000000 ] - [ 0.0006337700000000, 0.0018465900000000, 0.0026391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0205135000000000 ] - [ 0.0032948800000000, -0.0012656600000000, -0.0011612800000000 ] - [ -0.0032948800000000, -0.0012656600000000, -0.0011612800000000 ] - [ -0.0005513400000000, 0.0034862800000000, -0.0011612800000000 ] - [ 0.0005513400000000, 0.0034862800000000, -0.0011612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008727400000000 ] - [ 0.0027435300000000, -0.0022206100000000, -0.0011612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008068700000000 ] - [ -0.0027435300000000, -0.0022206100000000, -0.0011612800000000 ] - [ 0.0025672000000000, -0.0014821700000000, -0.0174312100000000 ] - [ -0.0025672000000000, -0.0014821700000000, -0.0174312100000000 ] - [ 0.0000000000000000, 0.0001349300000000, -0.0018827800000000 ] - [ -0.0001168500000000, -0.0000674600000000, -0.0018827800000000 ] - [ 0.0000000000000000, 0.0003985600000000, -0.0028214900000000 ] - [ 0.0001168500000000, -0.0000674600000000, -0.0018827800000000 ] - [ 0.0000000000000000, 0.0029643500000000, -0.0174312100000000 ] - [ 0.0003451600000000, -0.0001992800000000, -0.0028214900000000 ] - [ -0.0003451600000000, -0.0001992800000000, -0.0028214900000000 ] - [ 0.0001036900000000, -0.0000598700000000, 0.0027435400000000 ] - [ -0.0001036900000000, -0.0000598700000000, 0.0027435400000000 ] - [ 0.0000000000000000, -0.0004015300000000, 0.0013315300000000 ] - [ 0.0003477400000000, 0.0002007700000000, 0.0013315300000000 ] - [ 0.0000000000000000, 0.0003888100000000, 0.0020762100000000 ] - [ -0.0003477400000000, 0.0002007700000000, 0.0013315300000000 ] - [ 0.0000000000000000, 0.0001197300000000, 0.0027435400000000 ] - [ 0.0003367200000000, -0.0001944100000000, 0.0020762100000000 ] - [ -0.0003367200000000, -0.0001944100000000, 0.0020762100000000 ] - [ -0.0018371100000000, -0.0010606600000000, -0.0067777900000000 ] - [ 0.0018371100000000, -0.0010606600000000, -0.0067777900000000 ] - [ 0.0000000000000000, -0.0003718600000000, -0.0013789700000000 ] - [ 0.0006975800000000, -0.0004027500000000, -0.0014857000000000 ] - [ 0.0000000000000000, 0.0021213200000000, -0.0067777900000000 ] - [ -0.0006975800000000, -0.0004027500000000, -0.0014857000000000 ] - [ 0.0000000000000000, 0.0008055000000000, -0.0014857000000000 ] - [ 0.0003220400000000, 0.0001859300000000, -0.0013789700000000 ] - [ -0.0003220400000000, 0.0001859300000000, -0.0013789700000000 ] - [ -0.0014448200000000, -0.0008341700000000, 0.0033900300000000 ] - [ 0.0014448200000000, -0.0008341700000000, 0.0033900300000000 ] - [ 0.0000000000000000, -0.0001365800000000, 0.0009504400000000 ] - [ -0.0008933800000000, 0.0005158000000000, 0.0019133600000000 ] - [ 0.0000000000000000, 0.0016683300000000, 0.0033900300000000 ] - [ 0.0008933800000000, 0.0005158000000000, 0.0019133600000000 ] - [ 0.0000000000000000, -0.0010315900000000, 0.0019133600000000 ] - [ 0.0001182800000000, 0.0000682900000000, 0.0009504400000000 ] - [ -0.0001182800000000, 0.0000682900000000, 0.0009504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1114461400000000 ] - [ -0.0011792200000000, 0.0032136900000000, 0.0026542300000000 ] - [ 0.0011792200000000, 0.0032136900000000, 0.0026542300000000 ] - [ -0.0021935200000000, -0.0026280800000000, 0.0026542300000000 ] - [ 0.0021935200000000, -0.0026280800000000, 0.0026542300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026063200000000 ] - [ -0.0033727500000000, -0.0005856100000000, 0.0026542300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026137100000000 ] - [ 0.0033727500000000, -0.0005856100000000, 0.0026542300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106087400000000 ] - [ -0.0003305600000000, -0.0000215700000000, -0.0084584400000000 ] - [ 0.0003305600000000, -0.0000215700000000, -0.0084584400000000 ] - [ 0.0001839600000000, -0.0002754900000000, -0.0084584400000000 ] - [ -0.0001839600000000, -0.0002754900000000, -0.0084584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074678300000000 ] - [ -0.0001466000000000, 0.0002970600000000, -0.0084584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074715000000000 ] - [ 0.0001466000000000, 0.0002970600000000, -0.0084584400000000 ] - [ -0.0049979400000000, 0.0028855600000000, -0.0027830600000000 ] - [ 0.0049979400000000, 0.0028855600000000, -0.0027830600000000 ] - [ 0.0000000000000000, 0.0009811700000000, 0.0043690600000000 ] - [ -0.0008497100000000, -0.0004905800000000, 0.0043690600000000 ] - [ 0.0000000000000000, 0.0032105800000000, 0.0012883200000000 ] - [ 0.0008497100000000, -0.0004905800000000, 0.0043690600000000 ] - [ 0.0000000000000000, -0.0057711200000000, -0.0027830600000000 ] - [ 0.0027804500000000, -0.0016052900000000, 0.0012883200000000 ] - [ -0.0027804500000000, -0.0016052900000000, 0.0012883200000000 ] - [ 0.0189240100000000, -0.0109257800000000, -0.0078137300000000 ] - [ -0.0189240100000000, -0.0109257800000000, -0.0078137300000000 ] - [ 0.0000000000000000, -0.0005791000000000, 0.0054186200000000 ] - [ 0.0005015100000000, 0.0002895500000000, 0.0054186200000000 ] - [ 0.0000000000000000, -0.0023171100000000, 0.0054589100000000 ] - [ -0.0005015100000000, 0.0002895500000000, 0.0054186200000000 ] - [ 0.0000000000000000, 0.0218515700000000, -0.0078137300000000 ] - [ -0.0020066800000000, 0.0011585600000000, 0.0054589100000000 ] - [ 0.0020066800000000, 0.0011585600000000, 0.0054589100000000 ]