# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/299373a6-3cba-4222-82dc-ea5c2a8d27aa/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 LiErO2 / I4_1/amd (141) / materials id 10971](https://mdr.nims.go.jp/datasets/0b23b692-4d3e-4ea2-acad-6123d0208df4) ## 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: - [ -2.184762075000000, 2.184762075000000, 5.068246265000000 ] # a - [ 2.184762075000000, -2.184762075000000, 5.068246265000000 ] # b - [ 2.184762075000000, 2.184762075000000, -5.068246265000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 6.941000 - symbol: O # 3 coordinates: [ 0.722933020000000, 0.722933020000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.277066980000000, 0.277066980000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.472933020000000, 0.972933020000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.027066980000000, 0.527066980000000, 0.500000000000000 ] mass: 15.999400 - symbol: Er # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 167.259000 - symbol: Er # 8 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 167.259000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.228857872315456, 0.098653454046397 ] # a* - [ 0.228857872315456, 0.000000000000000, 0.098653454046397 ] # b* - [ 0.228857872315456, 0.228857872315456, 0.000000000000000 ] # c*unit_cell: lattice: - [ 4.369524150000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.369524150000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.136492530000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.222933020000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.277066980000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.472933020000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.527066980000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.722933020000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.777066980000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.972933020000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.500000000000000, 0.000000000000000, 0.027066980000000 ] mass: 15.999400 reduced_to: 8 - symbol: Er # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 14 - symbol: Er # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 16 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 14supercell: lattice: - [ 13.108572450000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.108572450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.136492530000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.166666666666667, 0.166666666666667, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.166666666666667, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.833333333333333, 0.166666666666667, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.166666666666667, 0.833333333333333, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.500000000000000, 0.833333333333333, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.833333333333333, 0.833333333333333, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 10 coordinates: [ 0.000000000000000, 0.166666666666667, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.333333333333333, 0.166666666666667, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 12 coordinates: [ 0.666666666666667, 0.166666666666667, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 13 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 14 coordinates: [ 0.333333333333333, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 15 coordinates: [ 0.666666666666667, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 16 coordinates: [ 0.000000000000000, 0.833333333333333, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 17 coordinates: [ 0.333333333333333, 0.833333333333333, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 18 coordinates: [ 0.666666666666667, 0.833333333333333, 0.250000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 20 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 21 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 22 coordinates: [ 0.000000000000000, 0.333333333333333, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 23 coordinates: [ 0.333333333333333, 0.333333333333333, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 24 coordinates: [ 0.666666666666667, 0.333333333333333, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 25 coordinates: [ 0.000000000000000, 0.666666666666667, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 26 coordinates: [ 0.333333333333333, 0.666666666666667, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 27 coordinates: [ 0.666666666666667, 0.666666666666667, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 28 coordinates: [ 0.166666666666667, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 29 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 30 coordinates: [ 0.833333333333333, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 31 coordinates: [ 0.166666666666667, 0.333333333333333, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 32 coordinates: [ 0.500000000000000, 0.333333333333333, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 33 coordinates: [ 0.833333333333333, 0.333333333333333, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 34 coordinates: [ 0.166666666666667, 0.666666666666667, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 35 coordinates: [ 0.500000000000000, 0.666666666666667, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 36 coordinates: [ 0.833333333333333, 0.666666666666667, 0.750000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: O # 37 coordinates: [ 0.166666666666667, 0.166666666666667, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.166666666666667, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.833333333333333, 0.166666666666667, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.166666666666667, 0.500000000000000, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.500000000000000, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.833333333333333, 0.500000000000000, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.166666666666667, 0.833333333333333, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.833333333333333, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 45 coordinates: [ 0.833333333333333, 0.833333333333333, 0.222933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.333333333333333, 0.000000000000000, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.666666666666667, 0.000000000000000, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.333333333333333, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 50 coordinates: [ 0.333333333333333, 0.333333333333333, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 51 coordinates: [ 0.666666666666667, 0.333333333333333, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.666666666666667, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 53 coordinates: [ 0.333333333333333, 0.666666666666667, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 54 coordinates: [ 0.666666666666667, 0.666666666666667, 0.277066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 55 coordinates: [ 0.166666666666667, 0.000000000000000, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.833333333333333, 0.000000000000000, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.166666666666667, 0.333333333333333, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.500000000000000, 0.333333333333333, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.833333333333333, 0.333333333333333, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.166666666666667, 0.666666666666667, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.666666666666667, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 63 coordinates: [ 0.833333333333333, 0.666666666666667, 0.472933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.166666666666667, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.333333333333333, 0.166666666666667, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.666666666666667, 0.166666666666667, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 68 coordinates: [ 0.333333333333333, 0.500000000000000, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 69 coordinates: [ 0.666666666666667, 0.500000000000000, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 70 coordinates: [ 0.000000000000000, 0.833333333333333, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 71 coordinates: [ 0.333333333333333, 0.833333333333333, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 72 coordinates: [ 0.666666666666667, 0.833333333333333, 0.527066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 74 coordinates: [ 0.333333333333333, 0.000000000000000, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 75 coordinates: [ 0.666666666666667, 0.000000000000000, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.333333333333333, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 77 coordinates: [ 0.333333333333333, 0.333333333333333, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 78 coordinates: [ 0.666666666666667, 0.333333333333333, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.666666666666667, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.333333333333333, 0.666666666666667, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 81 coordinates: [ 0.666666666666667, 0.666666666666667, 0.722933020000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 82 coordinates: [ 0.166666666666667, 0.166666666666667, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 83 coordinates: [ 0.500000000000000, 0.166666666666667, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 84 coordinates: [ 0.833333333333333, 0.166666666666667, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 85 coordinates: [ 0.166666666666667, 0.500000000000000, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.500000000000000, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 87 coordinates: [ 0.833333333333333, 0.500000000000000, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 88 coordinates: [ 0.166666666666667, 0.833333333333333, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 89 coordinates: [ 0.500000000000000, 0.833333333333333, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 90 coordinates: [ 0.833333333333333, 0.833333333333333, 0.777066980000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 91 coordinates: [ 0.000000000000000, 0.166666666666667, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 92 coordinates: [ 0.333333333333333, 0.166666666666667, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 93 coordinates: [ 0.666666666666667, 0.166666666666667, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 94 coordinates: [ 0.000000000000000, 0.500000000000000, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 95 coordinates: [ 0.333333333333333, 0.500000000000000, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 96 coordinates: [ 0.666666666666667, 0.500000000000000, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.833333333333333, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 98 coordinates: [ 0.333333333333333, 0.833333333333333, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 99 coordinates: [ 0.666666666666667, 0.833333333333333, 0.972933020000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 100 coordinates: [ 0.166666666666667, 0.000000000000000, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 101 coordinates: [ 0.500000000000000, 0.000000000000000, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 102 coordinates: [ 0.833333333333333, 0.000000000000000, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 103 coordinates: [ 0.166666666666667, 0.333333333333333, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 104 coordinates: [ 0.500000000000000, 0.333333333333333, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 105 coordinates: [ 0.833333333333333, 0.333333333333333, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 106 coordinates: [ 0.166666666666667, 0.666666666666667, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 107 coordinates: [ 0.500000000000000, 0.666666666666667, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 108 coordinates: [ 0.833333333333333, 0.666666666666667, 0.027066980000000 ] mass: 15.999400 reduced_to: 64 - symbol: Er # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 110 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 111 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 112 coordinates: [ 0.000000000000000, 0.333333333333333, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 113 coordinates: [ 0.333333333333333, 0.333333333333333, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 114 coordinates: [ 0.666666666666667, 0.333333333333333, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 115 coordinates: [ 0.000000000000000, 0.666666666666667, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 116 coordinates: [ 0.333333333333333, 0.666666666666667, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 117 coordinates: [ 0.666666666666667, 0.666666666666667, 0.500000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 118 coordinates: [ 0.166666666666667, 0.000000000000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 119 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 120 coordinates: [ 0.833333333333333, 0.000000000000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 121 coordinates: [ 0.166666666666667, 0.333333333333333, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 122 coordinates: [ 0.500000000000000, 0.333333333333333, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 123 coordinates: [ 0.833333333333333, 0.333333333333333, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 124 coordinates: [ 0.166666666666667, 0.666666666666667, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 125 coordinates: [ 0.500000000000000, 0.666666666666667, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 126 coordinates: [ 0.833333333333333, 0.666666666666667, 0.250000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 127 coordinates: [ 0.166666666666667, 0.166666666666667, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 128 coordinates: [ 0.500000000000000, 0.166666666666667, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 129 coordinates: [ 0.833333333333333, 0.166666666666667, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 130 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 131 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 132 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 133 coordinates: [ 0.166666666666667, 0.833333333333333, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 134 coordinates: [ 0.500000000000000, 0.833333333333333, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 135 coordinates: [ 0.833333333333333, 0.833333333333333, 0.000000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 136 coordinates: [ 0.000000000000000, 0.166666666666667, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 137 coordinates: [ 0.333333333333333, 0.166666666666667, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 138 coordinates: [ 0.666666666666667, 0.166666666666667, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 139 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 140 coordinates: [ 0.333333333333333, 0.500000000000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 141 coordinates: [ 0.666666666666667, 0.500000000000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 142 coordinates: [ 0.000000000000000, 0.833333333333333, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 143 coordinates: [ 0.333333333333333, 0.833333333333333, 0.750000000000000 ] mass: 167.259000 reduced_to: 118 - symbol: Er # 144 coordinates: [ 0.666666666666667, 0.833333333333333, 0.750000000000000 ] mass: 167.259000 reduced_to: 118born_effective_charge:- # 1 (Li) - [ 1.096057820000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.096057820000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.050620090000000 ]- # 2 (Li) - [ 1.096057820000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.096057820000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.050620090000000 ]- # 3 (O) - [ -1.545706320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.322471120000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -2.287368560000000 ]- # 4 (O) - [ -3.322471120000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.545706320000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -2.287368560000000 ]- # 5 (O) - [ -3.322471120000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.545706320000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.287368560000000 ]- # 6 (O) - [ -1.545706320000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -3.322471120000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -2.287368560000000 ]- # 7 (Er) - [ 3.772119620000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.772119620000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.524117030000000 ]- # 8 (Er) - [ 3.772119620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.772119620000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.524117030000000 ]dielectric_constant: - [ 3.811954420000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.811954420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.886961520000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0252019000000000, 0.0000000000000000, -0.0000793100000000 ] - [ 0.0019902200000000, 0.0000000000000000, -0.0002170000000000 ] - [ 0.0021036900000000, 0.0000000000000000, 0.0002220300000000 ] - [ -0.0003483000000000, -0.0000576400000000, -0.0000003200000000 ] - [ 0.0001925000000000, 0.0001809600000000, 0.0000330900000000 ] - [ 0.0002993400000000, -0.0002861200000000, -0.0000315900000000 ] - [ -0.0003483000000000, 0.0000576400000000, -0.0000003200000000 ] - [ 0.0001925000000000, -0.0001809600000000, 0.0000330900000000 ] - [ 0.0002993400000000, 0.0002861200000000, -0.0000315900000000 ] - [ 0.0005153500000000, 0.0000000000000000, 0.0023461300000000 ] - [ 0.0006278400000000, 0.0000000000000000, -0.0023638000000000 ] - [ 0.0003653600000000, 0.0000000000000000, 0.0000007500000000 ] - [ -0.0001300900000000, -0.0002987100000000, 0.0000763200000000 ] - [ -0.0000263800000000, 0.0001940000000000, -0.0000747900000000 ] - [ 0.0001258200000000, -0.0000556400000000, 0.0000007700000000 ] - [ -0.0001300900000000, 0.0002987100000000, 0.0000763200000000 ] - [ -0.0000263800000000, -0.0001940000000000, -0.0000747900000000 ] - [ 0.0001258200000000, 0.0000556400000000, 0.0000007700000000 ] - [ -0.0001484500000000, 0.0000493800000000, -0.0000651200000000 ] - [ -0.0000437100000000, -0.0001558600000000, 0.0000654700000000 ] - [ 0.0001792100000000, -0.0000558900000000, -0.0000004600000000 ] - [ -0.0001484500000000, -0.0000493800000000, -0.0000651200000000 ] - [ -0.0000437100000000, 0.0001558600000000, 0.0000654700000000 ] - [ 0.0001792100000000, 0.0000558900000000, -0.0000004600000000 ] - [ -0.0000762300000000, 0.0000000000000000, -0.0000338300000000 ] - [ 0.0000361800000000, 0.0000000000000000, 0.0000361200000000 ] - [ 0.0000380800000000, 0.0000000000000000, 0.0000004800000000 ] - [ -0.0011713700000000, -0.0000515200000000, -0.0000032700000000 ] - [ 0.0004517300000000, -0.0002981500000000, 0.0001825200000000 ] - [ 0.0005564800000000, 0.0001937400000000, -0.0001819400000000 ] - [ -0.0011713700000000, 0.0000515200000000, -0.0000032700000000 ] - [ 0.0004517300000000, 0.0002981500000000, 0.0001825200000000 ] - [ 0.0005564800000000, -0.0001937400000000, -0.0001819400000000 ] - [ -0.0003516700000000, 0.0000000000000000, 0.0000002800000000 ] - [ 0.0001181600000000, 0.0000000000000000, -0.0000021500000000 ] - [ 0.0002298200000000, 0.0000000000000000, 0.0000017700000000 ] - [ 0.0034229000000000, 0.0000000000000000, 0.0004056900000000 ] - [ -0.0007196500000000, 0.0000000000000000, 0.0009008700000000 ] - [ -0.0006937800000000, 0.0000000000000000, -0.0000583400000000 ] - [ 0.0004323100000000, -0.0000022000000000, 0.0004204700000000 ] - [ -0.0002401300000000, -0.0003128900000000, 0.0005418700000000 ] - [ -0.0002471300000000, 0.0003104300000000, 0.0003001400000000 ] - [ 0.0004323100000000, 0.0000022000000000, 0.0004204700000000 ] - [ -0.0002401300000000, 0.0003128900000000, 0.0005418700000000 ] - [ -0.0002471300000000, -0.0003104300000000, 0.0003001400000000 ] - [ 0.0003470000000000, -0.0011475100000000, -0.0016957600000000 ] - [ 0.0003612300000000, 0.0011626800000000, 0.0008582500000000 ] - [ -0.0011174500000000, -0.0000098200000000, -0.0004191400000000 ] - [ 0.0003470000000000, 0.0011475100000000, -0.0016957600000000 ] - [ 0.0003612300000000, -0.0011626800000000, 0.0008582500000000 ] - [ -0.0011174500000000, 0.0000098200000000, -0.0004191400000000 ] - [ 0.0002101200000000, 0.0000000000000000, -0.0005655700000000 ] - [ 0.0002254900000000, 0.0000000000000000, -0.0002708200000000 ] - [ -0.0004370300000000, 0.0000000000000000, -0.0004205000000000 ] - [ 0.0090877400000000, -0.0000085200000000, 0.0004237300000000 ] - [ -0.0017975200000000, 0.0010155800000000, 0.0007483600000000 ] - [ -0.0017752200000000, -0.0010209500000000, 0.0000979500000000 ] - [ 0.0090877400000000, 0.0000085200000000, 0.0004237300000000 ] - [ -0.0017975200000000, -0.0010155800000000, 0.0007483600000000 ] - [ -0.0017752200000000, 0.0010209500000000, 0.0000979500000000 ] - [ 0.0006377100000000, 0.0000000000000000, 0.0004213900000000 ] - [ -0.0003269400000000, 0.0000000000000000, 0.0004135500000000 ] - [ -0.0003141100000000, 0.0000000000000000, 0.0004280900000000 ] - [ -0.0073835200000000, 0.0000000000000000, 0.0024485400000000 ] - [ -0.0069795800000000, 0.0000000000000000, -0.0032557000000000 ] - [ -0.0011536200000000, 0.0000000000000000, -0.0004231700000000 ] - [ 0.0003543100000000, 0.0013676700000000, -0.0002241000000000 ] - [ 0.0003646300000000, -0.0013861600000000, -0.0006190500000000 ] - [ -0.0004631100000000, -0.0000026700000000, -0.0004223000000000 ] - [ 0.0003543100000000, -0.0013676700000000, -0.0002241000000000 ] - [ 0.0003646300000000, 0.0013861600000000, -0.0006190500000000 ] - [ -0.0004631100000000, 0.0000026700000000, -0.0004223000000000 ] - [ 0.0000998500000000, -0.0017544200000000, 0.0018336600000000 ] - [ 0.0001095600000000, 0.0017561400000000, -0.0009864700000000 ] - [ -0.0006235400000000, -0.0000080400000000, 0.0004248500000000 ] - [ 0.0000998500000000, 0.0017544200000000, 0.0018336600000000 ] - [ 0.0001095600000000, -0.0017561400000000, -0.0009864700000000 ] - [ -0.0006235400000000, 0.0000080400000000, 0.0004248500000000 ] - [ 0.0001228300000000, 0.0000000000000000, 0.0004843200000000 ] - [ 0.0001349500000000, 0.0000000000000000, 0.0003559200000000 ] - [ -0.0002733100000000, 0.0000000000000000, 0.0004215200000000 ] - [ 0.0050854400000000, 0.0000000000000000, -0.0004094400000000 ] - [ -0.0016475200000000, 0.0000000000000000, -0.0013007500000000 ] - [ -0.0016302800000000, 0.0000000000000000, 0.0004548900000000 ] - [ 0.0008552600000000, -0.0000074700000000, -0.0004225000000000 ] - [ -0.0004372600000000, -0.0001995900000000, -0.0004814600000000 ] - [ -0.0004335600000000, 0.0001893800000000, -0.0003678900000000 ] - [ 0.0008552600000000, 0.0000074700000000, -0.0004225000000000 ] - [ -0.0004372600000000, 0.0001995900000000, -0.0004814600000000 ] - [ -0.0004335600000000, -0.0001893800000000, -0.0003678900000000 ] - [ 0.0005402200000000, 0.0000000000000000, 0.0016360100000000 ] - [ 0.0005553600000000, 0.0000000000000000, -0.0007891200000000 ] - [ -0.0010135000000000, 0.0000000000000000, 0.0004201500000000 ] - [ 0.0002360400000000, 0.0001578400000000, 0.0006085600000000 ] - [ 0.0002551300000000, -0.0001748500000000, 0.0002349100000000 ] - [ -0.0004908200000000, -0.0000125000000000, 0.0004169700000000 ] - [ 0.0002360400000000, -0.0001578400000000, 0.0006085600000000 ] - [ 0.0002551300000000, 0.0001748500000000, 0.0002349100000000 ] - [ -0.0004908200000000, 0.0000125000000000, 0.0004169700000000 ] - [ 0.0005257800000000, -0.0000068800000000, -0.0004296200000000 ] - [ -0.0002903100000000, 0.0002195800000000, -0.0003170700000000 ] - [ -0.0002646000000000, -0.0002346200000000, -0.0005347300000000 ] - [ 0.0005257800000000, 0.0000068800000000, -0.0004296200000000 ] - [ -0.0002903100000000, -0.0002195800000000, -0.0003170700000000 ] - [ -0.0002646000000000, 0.0002346200000000, -0.0005347300000000 ] - [ 0.0002287400000000, 0.0000000000000000, -0.0004255300000000 ] - [ -0.0001318900000000, 0.0000000000000000, -0.0004113700000000 ] - [ -0.0000988200000000, 0.0000000000000000, -0.0004265700000000 ] - [ 0.0035480200000000, 0.0126511400000000, 0.0007301400000000 ] - [ 0.0035718200000000, -0.0127552500000000, -0.0007254800000000 ] - [ 0.0021490900000000, -0.0000003900000000, 0.0000010600000000 ] - [ 0.0035480200000000, -0.0126511400000000, 0.0007301400000000 ] - [ 0.0035718200000000, 0.0127552500000000, -0.0007254800000000 ] - [ 0.0021490900000000, 0.0000003900000000, 0.0000010600000000 ] - [ -0.0002683500000000, 0.0000000000000000, 0.0001912200000000 ] - [ -0.0002697000000000, 0.0000000000000000, -0.0001928600000000 ] - [ 0.0005433700000000, 0.0000000000000000, -0.0000017300000000 ] - [ -0.0031040500000000, 0.0000215000000000, 0.0000205000000000 ] - [ 0.0011788200000000, -0.0005519900000000, -0.0006373900000000 ] - [ 0.0011858900000000, 0.0005474500000000, 0.0006355500000000 ] - [ -0.0031040500000000, -0.0000215000000000, 0.0000205000000000 ] - [ 0.0011788200000000, 0.0005519900000000, -0.0006373900000000 ] - [ 0.0011858900000000, -0.0005474500000000, 0.0006355500000000 ] - [ -0.0005288200000000, 0.0000000000000000, -0.0000022100000000 ] - [ 0.0002623900000000, 0.0000000000000000, 0.0000039600000000 ] - [ 0.0002638200000000, 0.0000000000000000, -0.0000081600000000 ] - [ -0.0013554600000000, 0.0000000000000000, 0.0000009300000000 ] - [ 0.0007335300000000, 0.0000000000000000, 0.0001516700000000 ] - [ 0.0007499800000000, 0.0000000000000000, -0.0001567200000000 ] - [ -0.0006934800000000, -0.0000003700000000, -0.0000016500000000 ] - [ 0.0003494900000000, 0.0002412400000000, -0.0000604600000000 ] - [ 0.0003450500000000, -0.0002437800000000, 0.0000516400000000 ] - [ -0.0006934800000000, 0.0000003700000000, -0.0000016500000000 ] - [ 0.0003494900000000, -0.0002412400000000, -0.0000604600000000 ] - [ 0.0003450500000000, 0.0002437800000000, 0.0000516400000000 ] - [ 0.0012106300000000, 0.0000000000000000, -0.0094461100000000 ] - [ 0.0012134300000000, 0.0000000000000000, 0.0094968500000000 ] - [ 0.0020780800000000, 0.0000000000000000, -0.0000019700000000 ] - [ -0.0003600100000000, -0.0009739200000000, -0.0004601700000000 ] - [ -0.0003533100000000, 0.0009614600000000, 0.0004607400000000 ] - [ 0.0007037000000000, -0.0000031400000000, 0.0000050100000000 ] - [ -0.0003600100000000, 0.0009739200000000, -0.0004601700000000 ] - [ -0.0003533100000000, -0.0009614600000000, 0.0004607400000000 ] - [ 0.0007037000000000, 0.0000031400000000, 0.0000050100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0137867000000000 ] - [ 0.0001583500000000, 0.0000000000000000, -0.0000429600000000 ] - [ -0.0001583500000000, 0.0000000000000000, -0.0000429600000000 ] - [ 0.0000000000000000, -0.0002778400000000, -0.0000457600000000 ] - [ -0.0000846800000000, -0.0000206500000000, -0.0000559900000000 ] - [ 0.0000846800000000, -0.0000206500000000, -0.0000559900000000 ] - [ 0.0000000000000000, 0.0002778400000000, -0.0000457600000000 ] - [ -0.0000846800000000, 0.0000206500000000, -0.0000559900000000 ] - [ 0.0000846800000000, 0.0000206500000000, -0.0000559900000000 ] - [ 0.0022859900000000, 0.0000000000000000, 0.0009513600000000 ] - [ -0.0022859900000000, 0.0000000000000000, 0.0009513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000082100000000 ] - [ 0.0000229000000000, -0.0002346800000000, 0.0000187500000000 ] - [ -0.0000229000000000, -0.0002346800000000, 0.0000187500000000 ] - [ 0.0000000000000000, -0.0000535700000000, -0.0000078600000000 ] - [ 0.0000229000000000, 0.0002346800000000, 0.0000187500000000 ] - [ -0.0000229000000000, 0.0002346800000000, 0.0000187500000000 ] - [ 0.0000000000000000, 0.0000535700000000, -0.0000078600000000 ] - [ 0.0000115700000000, -0.0001187300000000, 0.0003827300000000 ] - [ -0.0000115700000000, -0.0001187300000000, 0.0003827300000000 ] - [ 0.0000000000000000, -0.0000913000000000, 0.0000545400000000 ] - [ 0.0000115700000000, 0.0001187300000000, 0.0003827300000000 ] - [ -0.0000115700000000, 0.0001187300000000, 0.0003827300000000 ] - [ 0.0000000000000000, 0.0000913000000000, 0.0000545400000000 ] - [ -0.0000209000000000, 0.0000000000000000, 0.0000553800000000 ] - [ 0.0000209000000000, 0.0000000000000000, 0.0000553800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000303400000000 ] - [ 0.0000000000000000, -0.0024251900000000, 0.0009580000000000 ] - [ 0.0001291000000000, -0.0001286100000000, 0.0000175400000000 ] - [ -0.0001291000000000, -0.0001286100000000, 0.0000175400000000 ] - [ 0.0000000000000000, 0.0024251900000000, 0.0009580000000000 ] - [ 0.0001291000000000, 0.0001286100000000, 0.0000175400000000 ] - [ -0.0001291000000000, 0.0001286100000000, 0.0000175400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000083400000000 ] - [ -0.0000583100000000, 0.0000000000000000, -0.0000099700000000 ] - [ 0.0000583100000000, 0.0000000000000000, -0.0000099700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112181300000000 ] - [ 0.0002355400000000, 0.0000000000000000, 0.0003334600000000 ] - [ -0.0002355400000000, 0.0000000000000000, 0.0003334600000000 ] - [ 0.0000000000000000, 0.0008650300000000, 0.0001413100000000 ] - [ 0.0001334700000000, 0.0000869600000000, 0.0003749700000000 ] - [ -0.0001334700000000, 0.0000869600000000, 0.0003749700000000 ] - [ 0.0000000000000000, -0.0008650300000000, 0.0001413100000000 ] - [ 0.0001334700000000, -0.0000869600000000, 0.0003749700000000 ] - [ -0.0001334700000000, -0.0000869600000000, 0.0003749700000000 ] - [ -0.0012571200000000, -0.0009041500000000, -0.0002623900000000 ] - [ 0.0012571200000000, -0.0009041500000000, -0.0002623900000000 ] - [ 0.0000000000000000, -0.0000015100000000, -0.0003260100000000 ] - [ -0.0012571200000000, 0.0009041500000000, -0.0002623900000000 ] - [ 0.0012571200000000, 0.0009041500000000, -0.0002623900000000 ] - [ 0.0000000000000000, 0.0000015100000000, -0.0003260100000000 ] - [ -0.0001450100000000, 0.0000000000000000, -0.0003932200000000 ] - [ 0.0001450100000000, 0.0000000000000000, -0.0003932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004098100000000 ] - [ 0.0000000000000000, -0.0015100200000000, 0.0069659200000000 ] - [ 0.0000471300000000, 0.0002186800000000, 0.0007347900000000 ] - [ -0.0000471300000000, 0.0002186800000000, 0.0007347900000000 ] - [ 0.0000000000000000, 0.0015100200000000, 0.0069659200000000 ] - [ 0.0000471300000000, -0.0002186800000000, 0.0007347900000000 ] - [ -0.0000471300000000, -0.0002186800000000, 0.0007347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006096200000000 ] - [ 0.0000543900000000, 0.0000000000000000, 0.0005271200000000 ] - [ -0.0000543900000000, 0.0000000000000000, 0.0005271200000000 ] - [ 0.0014506500000000, 0.0000000000000000, 0.0060863800000000 ] - [ -0.0014506500000000, 0.0000000000000000, 0.0060863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003136600000000 ] - [ -0.0002298800000000, -0.0000466900000000, -0.0001802700000000 ] - [ 0.0002298800000000, -0.0000466900000000, -0.0001802700000000 ] - [ 0.0000000000000000, -0.0000595600000000, -0.0003949300000000 ] - [ -0.0002298800000000, 0.0000466900000000, -0.0001802700000000 ] - [ 0.0002298800000000, 0.0000466900000000, -0.0001802700000000 ] - [ 0.0000000000000000, 0.0000595600000000, -0.0003949300000000 ] - [ 0.0009074200000000, 0.0012551600000000, 0.0006732800000000 ] - [ -0.0009074200000000, 0.0012551600000000, 0.0006732800000000 ] - [ 0.0000000000000000, 0.0001362300000000, 0.0005344600000000 ] - [ 0.0009074200000000, -0.0012551600000000, 0.0006732800000000 ] - [ -0.0009074200000000, -0.0012551600000000, 0.0006732800000000 ] - [ 0.0000000000000000, -0.0001362300000000, 0.0005344600000000 ] - [ -0.0000021000000000, 0.0000000000000000, 0.0005991000000000 ] - [ 0.0000021000000000, 0.0000000000000000, 0.0005991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0122472300000000 ] - [ -0.0008823800000000, 0.0000000000000000, -0.0007748200000000 ] - [ 0.0008823800000000, 0.0000000000000000, -0.0007748200000000 ] - [ 0.0000000000000000, -0.0002431600000000, -0.0005804600000000 ] - [ -0.0000976400000000, -0.0001423900000000, -0.0005487300000000 ] - [ 0.0000976400000000, -0.0001423900000000, -0.0005487300000000 ] - [ 0.0000000000000000, 0.0002431600000000, -0.0005804600000000 ] - [ -0.0000976400000000, 0.0001423900000000, -0.0005487300000000 ] - [ 0.0000976400000000, 0.0001423900000000, -0.0005487300000000 ] - [ 0.0001901300000000, 0.0000000000000000, -0.0011341000000000 ] - [ -0.0001901300000000, 0.0000000000000000, -0.0011341000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002620900000000 ] - [ -0.0001025600000000, -0.0000318000000000, 0.0002259300000000 ] - [ 0.0001025600000000, -0.0000318000000000, 0.0002259300000000 ] - [ 0.0000000000000000, -0.0000223100000000, 0.0003683200000000 ] - [ -0.0001025600000000, 0.0000318000000000, 0.0002259300000000 ] - [ 0.0001025600000000, 0.0000318000000000, 0.0002259300000000 ] - [ 0.0000000000000000, 0.0000223100000000, 0.0003683200000000 ] - [ 0.0000000000000000, -0.0001831000000000, -0.0020558300000000 ] - [ 0.0000279100000000, 0.0001003800000000, -0.0006959900000000 ] - [ -0.0000279100000000, 0.0001003800000000, -0.0006959900000000 ] - [ 0.0000000000000000, 0.0001831000000000, -0.0020558300000000 ] - [ 0.0000279100000000, -0.0001003800000000, -0.0006959900000000 ] - [ -0.0000279100000000, -0.0001003800000000, -0.0006959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006658000000000 ] - [ 0.0000106600000000, 0.0000000000000000, -0.0005467400000000 ] - [ -0.0000106600000000, 0.0000000000000000, -0.0005467400000000 ] - [ 0.0007723500000000, -0.0007280300000000, -0.0033981600000000 ] - [ -0.0007723500000000, -0.0007280300000000, -0.0033981600000000 ] - [ 0.0000000000000000, -0.0000974800000000, -0.0002289900000000 ] - [ 0.0007723500000000, 0.0007280300000000, -0.0033981600000000 ] - [ -0.0007723500000000, 0.0007280300000000, -0.0033981600000000 ] - [ 0.0000000000000000, 0.0000974800000000, -0.0002289900000000 ] - [ 0.0001000200000000, 0.0000000000000000, -0.0002230600000000 ] - [ -0.0001000200000000, 0.0000000000000000, -0.0002230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001210400000000 ] - [ 0.0000000000000000, 0.0080853300000000, 0.0038094800000000 ] - [ -0.0006979300000000, -0.0000332200000000, -0.0000134600000000 ] - [ 0.0006979300000000, -0.0000332200000000, -0.0000134600000000 ] - [ 0.0000000000000000, -0.0080853300000000, 0.0038094800000000 ] - [ -0.0006979300000000, 0.0000332200000000, -0.0000134600000000 ] - [ 0.0006979300000000, 0.0000332200000000, -0.0000134600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000174500000000 ] - [ -0.0000921200000000, 0.0000000000000000, 0.0000172000000000 ] - [ 0.0000921200000000, 0.0000000000000000, 0.0000172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081708300000000 ] - [ 0.0000597200000000, 0.0000000000000000, 0.0005837600000000 ] - [ -0.0000597200000000, 0.0000000000000000, 0.0005837600000000 ] - [ 0.0000000000000000, -0.0000646100000000, 0.0005820600000000 ] - [ -0.0000497500000000, 0.0000432500000000, 0.0002356300000000 ] - [ 0.0000497500000000, 0.0000432500000000, 0.0002356300000000 ] - [ 0.0000000000000000, 0.0000646100000000, 0.0005820600000000 ] - [ -0.0000497500000000, -0.0000432500000000, 0.0002356300000000 ] - [ 0.0000497500000000, -0.0000432500000000, 0.0002356300000000 ] - [ -0.0081934400000000, 0.0000000000000000, 0.0038192200000000 ] - [ 0.0081934400000000, 0.0000000000000000, 0.0038192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000218300000000 ] - [ 0.0000441400000000, 0.0007048300000000, -0.0000174300000000 ] - [ -0.0000441400000000, 0.0007048300000000, -0.0000174300000000 ] - [ 0.0000000000000000, 0.0001010000000000, 0.0000135800000000 ] - [ 0.0000441400000000, -0.0007048300000000, -0.0000174300000000 ] - [ -0.0000441400000000, -0.0007048300000000, -0.0000174300000000 ] - [ 0.0000000000000000, -0.0001010000000000, 0.0000135800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033151600000000, 0.0000000000000000, 0.0000111200000000 ] - [ -0.0007082300000000, 0.0000000000000000, -0.0002408500000000 ] - [ -0.0005953600000000, 0.0000000000000000, 0.0002382800000000 ] - [ 0.0003398600000000, -0.0000551400000000, 0.0000016100000000 ] - [ -0.0002482200000000, -0.0002467600000000, -0.0001396100000000 ] - [ -0.0001443700000000, 0.0001397500000000, 0.0001381400000000 ] - [ 0.0003398600000000, 0.0000551400000000, 0.0000016100000000 ] - [ -0.0002482200000000, 0.0002467600000000, -0.0001396100000000 ] - [ -0.0001443700000000, -0.0001397500000000, 0.0001381400000000 ] - [ -0.0073983200000000, 0.0000000000000000, 0.0015014200000000 ] - [ -0.0068796600000000, 0.0000000000000000, -0.0014568800000000 ] - [ -0.0012507500000000, 0.0000000000000000, 0.0000010400000000 ] - [ 0.0003581100000000, 0.0009552800000000, -0.0002238800000000 ] - [ 0.0004753000000000, -0.0010664900000000, 0.0002260200000000 ] - [ -0.0005766200000000, -0.0000564300000000, 0.0000006400000000 ] - [ 0.0003581100000000, -0.0009552800000000, -0.0002238800000000 ] - [ 0.0004753000000000, 0.0010664900000000, 0.0002260200000000 ] - [ -0.0005766200000000, 0.0000564300000000, 0.0000006400000000 ] - [ 0.0000917000000000, -0.0011941600000000, -0.0009017000000000 ] - [ 0.0002050200000000, 0.0010982200000000, 0.0009090900000000 ] - [ -0.0007096100000000, -0.0000557300000000, -0.0000004100000000 ] - [ 0.0000917000000000, 0.0011941600000000, -0.0009017000000000 ] - [ 0.0002050200000000, -0.0010982200000000, 0.0009090900000000 ] - [ -0.0007096100000000, 0.0000557300000000, -0.0000004100000000 ] - [ 0.0001169600000000, 0.0000000000000000, -0.0000002400000000 ] - [ 0.0002322900000000, 0.0000000000000000, -0.0000003000000000 ] - [ -0.0003633900000000, 0.0000000000000000, -0.0000001300000000 ] - [ 0.0004433600000000, -0.0000575900000000, -0.0000006200000000 ] - [ -0.0002877900000000, 0.0001214200000000, 0.0000303800000000 ] - [ -0.0001826800000000, -0.0002266800000000, -0.0000300200000000 ] - [ 0.0004433600000000, 0.0000575900000000, -0.0000006200000000 ] - [ -0.0002877900000000, -0.0001214200000000, 0.0000303800000000 ] - [ -0.0001826800000000, 0.0002266800000000, -0.0000300200000000 ] - [ 0.0001301300000000, 0.0000000000000000, 0.0000004000000000 ] - [ -0.0001203400000000, 0.0000000000000000, 0.0000168800000000 ] - [ -0.0000102600000000, 0.0000000000000000, -0.0000171700000000 ] - [ -0.0342956900000000, 0.0000000000000000, 0.0002712900000000 ] - [ 0.0028477500000000, 0.0000000000000000, 0.0000789400000000 ] - [ 0.0028455600000000, 0.0000000000000000, 0.0007407600000000 ] - [ -0.0000498600000000, -0.0000524900000000, 0.0004259200000000 ] - [ 0.0007833600000000, 0.0009115700000000, 0.0001235100000000 ] - [ 0.0007835300000000, -0.0009090300000000, 0.0007039900000000 ] - [ -0.0000498600000000, 0.0000524900000000, 0.0004259200000000 ] - [ 0.0007833600000000, -0.0009115700000000, 0.0001235100000000 ] - [ 0.0007835300000000, 0.0009090300000000, 0.0007039900000000 ] - [ 0.0034825500000000, 0.0084491400000000, -0.0027959900000000 ] - [ 0.0035109600000000, -0.0085412100000000, 0.0019863700000000 ] - [ 0.0024503800000000, -0.0000107100000000, -0.0004101100000000 ] - [ 0.0034825500000000, -0.0084491400000000, -0.0027959900000000 ] - [ 0.0035109600000000, 0.0085412100000000, 0.0019863700000000 ] - [ 0.0024503800000000, 0.0000107100000000, -0.0004101100000000 ] - [ -0.0003869300000000, 0.0000000000000000, -0.0003657700000000 ] - [ -0.0003854100000000, 0.0000000000000000, -0.0004614500000000 ] - [ 0.0008012600000000, 0.0000000000000000, -0.0004122100000000 ] - [ -0.0032879200000000, 0.0000009600000000, 0.0003997300000000 ] - [ 0.0013150100000000, -0.0002497000000000, 0.0011146200000000 ] - [ 0.0013325100000000, 0.0002404400000000, -0.0002806400000000 ] - [ -0.0032879200000000, -0.0000009600000000, 0.0003997300000000 ] - [ 0.0013150100000000, 0.0002497000000000, 0.0011146200000000 ] - [ 0.0013325100000000, -0.0002404400000000, -0.0002806400000000 ] - [ -0.0007267700000000, 0.0000000000000000, 0.0004061900000000 ] - [ 0.0003608300000000, 0.0000000000000000, 0.0005440600000000 ] - [ 0.0003735200000000, 0.0000000000000000, 0.0002791700000000 ] - [ 0.0006035200000000, 0.0000000000000000, -0.0026133800000000 ] - [ 0.0006108300000000, 0.0000000000000000, 0.0018049200000000 ] - [ 0.0008676400000000, 0.0000000000000000, -0.0004165400000000 ] - [ -0.0002830700000000, -0.0008028500000000, -0.0009089900000000 ] - [ -0.0002772200000000, 0.0007982600000000, 0.0000817700000000 ] - [ 0.0004719700000000, -0.0000003900000000, -0.0004159100000000 ] - [ -0.0002830700000000, 0.0008028500000000, -0.0009089900000000 ] - [ -0.0002772200000000, -0.0007982600000000, 0.0000817700000000 ] - [ 0.0004719700000000, 0.0000003900000000, -0.0004159100000000 ] - [ -0.0003082100000000, 0.0007411100000000, -0.0000667200000000 ] - [ -0.0003098200000000, -0.0007543800000000, 0.0009060700000000 ] - [ 0.0005848000000000, -0.0000093300000000, 0.0004162500000000 ] - [ -0.0003082100000000, -0.0007411100000000, -0.0000667200000000 ] - [ -0.0003098200000000, 0.0007543800000000, 0.0009060700000000 ] - [ 0.0005848000000000, 0.0000093300000000, 0.0004162500000000 ] - [ -0.0001358200000000, 0.0000000000000000, 0.0003237600000000 ] - [ -0.0001338200000000, 0.0000000000000000, 0.0004948100000000 ] - [ 0.0002754200000000, 0.0000000000000000, 0.0004130600000000 ] - [ -0.0016471700000000, 0.0000000000000000, -0.0003757900000000 ] - [ 0.0013028700000000, 0.0000000000000000, -0.0009561700000000 ] - [ 0.0013212900000000, 0.0000000000000000, 0.0001278700000000 ] - [ -0.0007698300000000, -0.0000039500000000, -0.0004058100000000 ] - [ 0.0003864400000000, 0.0001460200000000, -0.0005369600000000 ] - [ 0.0004006200000000, -0.0001501700000000, -0.0002918400000000 ] - [ -0.0007698300000000, 0.0000039500000000, -0.0004058100000000 ] - [ 0.0003864400000000, -0.0001460200000000, -0.0005369600000000 ] - [ 0.0004006200000000, 0.0001501700000000, -0.0002918400000000 ] - [ 0.0013396600000000, 0.0000000000000000, 0.0061191000000000 ] - [ 0.0013465500000000, 0.0000000000000000, -0.0053417700000000 ] - [ 0.0021081500000000, 0.0000000000000000, 0.0004117800000000 ] - [ -0.0004509900000000, -0.0002614800000000, 0.0005221900000000 ] - [ -0.0004530800000000, 0.0002395900000000, 0.0003073900000000 ] - [ 0.0008305600000000, -0.0000073400000000, 0.0004097700000000 ] - [ -0.0004509900000000, 0.0002614800000000, 0.0005221900000000 ] - [ -0.0004530800000000, -0.0002395900000000, 0.0003073900000000 ] - [ 0.0008305600000000, 0.0000073400000000, 0.0004097700000000 ] - [ -0.0048122700000000, 0.0000134400000000, -0.0003981400000000 ] - [ 0.0008108900000000, -0.0006794200000000, -0.0009082300000000 ] - [ 0.0008376500000000, 0.0006610700000000, 0.0000676100000000 ] - [ -0.0048122700000000, -0.0000134400000000, -0.0003981400000000 ] - [ 0.0008108900000000, 0.0006794200000000, -0.0009082300000000 ] - [ 0.0008376500000000, -0.0006610700000000, 0.0000676100000000 ] - [ -0.0004904000000000, 0.0000000000000000, -0.0004093400000000 ] - [ 0.0001590700000000, 0.0000000000000000, -0.0005144700000000 ] - [ 0.0001835600000000, 0.0000000000000000, -0.0003074300000000 ] - [ 0.0006866100000000, -0.0020188000000000, 0.0032136400000000 ] - [ 0.0007127400000000, 0.0020186500000000, -0.0032380500000000 ] - [ -0.0018926600000000, 0.0000048900000000, -0.0000017600000000 ] - [ 0.0006866100000000, 0.0020188000000000, 0.0032136400000000 ] - [ 0.0007127400000000, -0.0020186500000000, -0.0032380500000000 ] - [ -0.0018926600000000, -0.0000048900000000, -0.0000017600000000 ] - [ 0.0003490400000000, 0.0000000000000000, -0.0000173300000000 ] - [ 0.0003522900000000, 0.0000000000000000, 0.0000097900000000 ] - [ -0.0007058900000000, 0.0000000000000000, 0.0000042500000000 ] - [ 0.0149371000000000, 0.0001310100000000, -0.0000265500000000 ] - [ -0.0042625600000000, 0.0011863600000000, 0.0000818600000000 ] - [ -0.0042427100000000, -0.0011534400000000, -0.0000966800000000 ] - [ 0.0149371000000000, -0.0001310100000000, -0.0000265500000000 ] - [ -0.0042625600000000, -0.0011863600000000, 0.0000818600000000 ] - [ -0.0042427100000000, 0.0011534400000000, -0.0000966800000000 ] - [ 0.0009259100000000, 0.0000000000000000, 0.0000136600000000 ] - [ -0.0004461000000000, 0.0000000000000000, -0.0001319400000000 ] - [ -0.0004477600000000, 0.0000000000000000, 0.0001565500000000 ] - [ 0.0159041000000000, 0.0000000000000000, 0.0000601600000000 ] - [ -0.0034297800000000, 0.0000000000000000, 0.0010264500000000 ] - [ -0.0034166000000000, 0.0000000000000000, -0.0010035800000000 ] - [ 0.0010965700000000, 0.0000006500000000, -0.0000119400000000 ] - [ -0.0005335400000000, -0.0006282000000000, 0.0005282100000000 ] - [ -0.0005223600000000, 0.0006053100000000, -0.0005150000000000 ] - [ 0.0010965700000000, -0.0000006500000000, -0.0000119400000000 ] - [ -0.0005335400000000, 0.0006282000000000, 0.0005282100000000 ] - [ -0.0005223600000000, -0.0006053100000000, -0.0005150000000000 ] - [ 0.0008015400000000, 0.0000000000000000, -0.0007620600000000 ] - [ 0.0008305900000000, 0.0000000000000000, 0.0007782600000000 ] - [ -0.0017982400000000, 0.0000000000000000, 0.0000034500000000 ] - [ 0.0003897900000000, 0.0005108800000000, 0.0002946700000000 ] - [ 0.0003793800000000, -0.0004945600000000, -0.0003001800000000 ] - [ -0.0007578200000000, 0.0000027000000000, -0.0000000200000000 ] - [ 0.0003897900000000, -0.0005108800000000, 0.0002946700000000 ] - [ 0.0003793800000000, 0.0004945600000000, -0.0003001800000000 ] - [ -0.0007578200000000, -0.0000027000000000, -0.0000000200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0049935300000000, 0.0000433700000000 ] - [ -0.0000534300000000, 0.0007573300000000, -0.0000005800000000 ] - [ 0.0000534300000000, 0.0007573300000000, -0.0000005800000000 ] - [ 0.0000000000000000, -0.0016474300000000, -0.0008823700000000 ] - [ -0.0003657100000000, -0.0004369100000000, -0.0000928200000000 ] - [ 0.0003657100000000, -0.0004369100000000, -0.0000928200000000 ] - [ 0.0000000000000000, -0.0015358600000000, 0.0008674700000000 ] - [ 0.0002575100000000, -0.0003338500000000, 0.0000921000000000 ] - [ -0.0002575100000000, -0.0003338500000000, 0.0000921000000000 ] - [ -0.0001201300000000, 0.0089967000000000, 0.0000094800000000 ] - [ 0.0001201300000000, 0.0089967000000000, 0.0000094800000000 ] - [ 0.0000000000000000, 0.0005316100000000, 0.0000002400000000 ] - [ 0.0013418200000000, -0.0017930600000000, -0.0000494500000000 ] - [ -0.0013418200000000, -0.0017930600000000, -0.0000494500000000 ] - [ 0.0000000000000000, -0.0003212600000000, -0.0000581500000000 ] - [ -0.0014278100000000, -0.0016877900000000, 0.0000467600000000 ] - [ 0.0014278100000000, -0.0016877900000000, 0.0000467600000000 ] - [ 0.0000000000000000, -0.0002115200000000, 0.0000582800000000 ] - [ -0.0018081400000000, 0.0003389200000000, -0.0012559900000000 ] - [ 0.0018081400000000, 0.0003389200000000, -0.0012559900000000 ] - [ 0.0000000000000000, 0.0002103300000000, -0.0001424600000000 ] - [ 0.0017047500000000, 0.0004662100000000, 0.0012578200000000 ] - [ -0.0017047500000000, 0.0004662100000000, 0.0012578200000000 ] - [ 0.0000000000000000, 0.0003259400000000, 0.0001410500000000 ] - [ -0.0000529400000000, -0.0012120900000000, 0.0000023500000000 ] - [ 0.0000529400000000, -0.0012120900000000, 0.0000023500000000 ] - [ 0.0000000000000000, -0.0005356800000000, -0.0000000400000000 ] - [ 0.0000000000000000, 0.0005347100000000, -0.0001857700000000 ] - [ 0.0001774700000000, 0.0002383600000000, 0.0001014100000000 ] - [ -0.0001774700000000, 0.0002383600000000, 0.0001014100000000 ] - [ 0.0000000000000000, 0.0006632200000000, 0.0001855800000000 ] - [ -0.0002820100000000, 0.0003492300000000, -0.0001017500000000 ] - [ 0.0002820100000000, 0.0003492300000000, -0.0001017500000000 ] - [ 0.0000000000000000, -0.0011138500000000, 0.0000001800000000 ] - [ -0.0000565900000000, -0.0005860400000000, -0.0000008900000000 ] - [ 0.0000565900000000, -0.0005860400000000, -0.0000008900000000 ] - [ 0.0000000000000000, -0.1766623800000000, -0.0001523000000000 ] - [ -0.0000115700000000, -0.0031817100000000, 0.0004400300000000 ] - [ 0.0000115700000000, -0.0031817100000000, 0.0004400300000000 ] - [ 0.0000000000000000, 0.0235610500000000, -0.0043508700000000 ] - [ 0.0009101400000000, 0.0015779200000000, 0.0002743500000000 ] - [ -0.0009101400000000, 0.0015779200000000, 0.0002743500000000 ] - [ 0.0000000000000000, 0.0233058200000000, 0.0051575800000000 ] - [ -0.0009134700000000, 0.0015941100000000, 0.0006159500000000 ] - [ 0.0009134700000000, 0.0015941100000000, 0.0006159500000000 ] - [ 0.0119358400000000, 0.0035183300000000, -0.0035388000000000 ] - [ -0.0119358400000000, 0.0035183300000000, -0.0035388000000000 ] - [ 0.0000000000000000, -0.0003846400000000, -0.0008117600000000 ] - [ -0.0120432400000000, 0.0034747600000000, 0.0026568300000000 ] - [ 0.0120432400000000, 0.0034747600000000, 0.0026568300000000 ] - [ 0.0000000000000000, -0.0003858900000000, -0.0000802900000000 ] - [ -0.0000178200000000, 0.0024511600000000, -0.0004445000000000 ] - [ 0.0000178200000000, 0.0024511600000000, -0.0004445000000000 ] - [ 0.0000000000000000, 0.0008003700000000, -0.0004446200000000 ] - [ 0.0000000000000000, 0.0013660400000000, -0.0086288900000000 ] - [ -0.0016274600000000, -0.0004514500000000, -0.0002776900000000 ] - [ 0.0016274600000000, -0.0004514500000000, -0.0002776900000000 ] - [ 0.0000000000000000, 0.0013198400000000, 0.0095979000000000 ] - [ 0.0016160800000000, -0.0004527700000000, 0.0011724900000000 ] - [ -0.0016160800000000, -0.0004527700000000, 0.0011724900000000 ] - [ 0.0000000000000000, 0.0021080300000000, 0.0004584300000000 ] - [ -0.0000021700000000, 0.0008301700000000, 0.0004496200000000 ] - [ 0.0000021700000000, 0.0008301700000000, 0.0004496200000000 ] - [ 0.0000095000000000, -0.0042193600000000, -0.0004501700000000 ] - [ -0.0000095000000000, -0.0042193600000000, -0.0004501700000000 ] - [ 0.0000000000000000, -0.0014164600000000, -0.0004433300000000 ] - [ -0.0008046400000000, 0.0020687700000000, 0.0002150800000000 ] - [ 0.0008046400000000, 0.0020687700000000, 0.0002150800000000 ] - [ 0.0000000000000000, 0.0007006300000000, -0.0004094100000000 ] - [ 0.0007922700000000, 0.0020876300000000, -0.0011020000000000 ] - [ -0.0007922700000000, 0.0020876300000000, -0.0011020000000000 ] - [ 0.0000000000000000, 0.0007110900000000, -0.0004776100000000 ] - [ 0.0007436200000000, -0.0009764500000000, -0.0005023200000000 ] - [ -0.0007436200000000, -0.0009764500000000, -0.0005023200000000 ] - [ 0.0000000000000000, -0.0004631300000000, 0.0001633600000000 ] - [ -0.0007501400000000, -0.0009910500000000, 0.0014013200000000 ] - [ 0.0007501400000000, -0.0009910500000000, 0.0014013200000000 ] - [ 0.0000000000000000, -0.0004588400000000, 0.0007337900000000 ] - [ -0.0000060600000000, 0.0019710900000000, 0.0004470600000000 ] - [ 0.0000060600000000, 0.0019710900000000, 0.0004470600000000 ] - [ 0.0000000000000000, 0.0009245400000000, 0.0004483600000000 ] - [ 0.0000000000000000, -0.0016458200000000, -0.0003772900000000 ] - [ -0.0000140300000000, -0.0007680300000000, -0.0004438800000000 ] - [ 0.0000140300000000, -0.0007680300000000, -0.0004438800000000 ] - [ 0.0000000000000000, 0.0013042900000000, -0.0016062100000000 ] - [ 0.0005241300000000, 0.0003874600000000, -0.0005496400000000 ] - [ -0.0005241300000000, 0.0003874600000000, -0.0005496400000000 ] - [ 0.0000000000000000, 0.0013173800000000, 0.0007053800000000 ] - [ -0.0005295900000000, 0.0003978200000000, -0.0003414600000000 ] - [ 0.0005295900000000, 0.0003978200000000, -0.0003414600000000 ] - [ 0.0000390900000000, -0.0032898300000000, 0.0004769500000000 ] - [ -0.0000390900000000, -0.0032898300000000, 0.0004769500000000 ] - [ 0.0000000000000000, -0.0007272400000000, 0.0004497800000000 ] - [ -0.0016333200000000, 0.0013159600000000, -0.0003875600000000 ] - [ 0.0016333200000000, 0.0013159600000000, -0.0003875600000000 ] - [ 0.0000000000000000, 0.0003598800000000, 0.0002401000000000 ] - [ 0.0016117300000000, 0.0013349400000000, 0.0012742500000000 ] - [ -0.0016117300000000, 0.0013349400000000, 0.0012742500000000 ] - [ 0.0000000000000000, 0.0003751100000000, 0.0006437500000000 ] - [ 0.0000000000000000, 0.0050617100000000, 0.0138511300000000 ] - [ -0.0006814900000000, -0.0007400000000000, 0.0003177700000000 ] - [ 0.0006814900000000, -0.0007400000000000, 0.0003177700000000 ] - [ 0.0000000000000000, 0.0050453700000000, -0.0149051100000000 ] - [ 0.0006626700000000, -0.0007469100000000, -0.0012142000000000 ] - [ -0.0006626700000000, -0.0007469100000000, -0.0012142000000000 ] - [ 0.0000000000000000, 0.0066164200000000, -0.0004610000000000 ] - [ -0.0000055000000000, 0.0015079900000000, -0.0004439000000000 ] - [ 0.0000055000000000, 0.0015079900000000, -0.0004439000000000 ] - [ -0.0041318400000000, 0.0014017600000000, 0.0050097300000000 ] - [ 0.0041318400000000, 0.0014017600000000, 0.0050097300000000 ] - [ 0.0000000000000000, 0.0006092800000000, 0.0007388300000000 ] - [ 0.0041450900000000, 0.0014452400000000, -0.0050248800000000 ] - [ -0.0041450900000000, 0.0014452400000000, -0.0050248800000000 ] - [ 0.0000000000000000, 0.0006157200000000, -0.0007413600000000 ] - [ 0.0000078800000000, -0.0032898600000000, -0.0000053900000000 ] - [ -0.0000078800000000, -0.0032898600000000, -0.0000053900000000 ] - [ 0.0000000000000000, -0.0012218500000000, 0.0000000600000000 ] - [ 0.0000000000000000, 0.0389537000000000, -0.0078152700000000 ] - [ 0.0048414500000000, 0.0012051700000000, -0.0008215600000000 ] - [ -0.0048414500000000, 0.0012051700000000, -0.0008215600000000 ] - [ 0.0000000000000000, 0.0426121800000000, 0.0084083300000000 ] - [ -0.0048523700000000, 0.0012203800000000, 0.0008245800000000 ] - [ 0.0048523700000000, 0.0012203800000000, 0.0008245800000000 ] - [ 0.0000000000000000, -0.0120767700000000, -0.0000021400000000 ] - [ -0.0000081600000000, -0.0023139800000000, -0.0000010400000000 ] - [ 0.0000081600000000, -0.0023139800000000, -0.0000010400000000 ] - [ 0.0000000000000000, 0.0223272200000000, -0.0000388000000000 ] - [ 0.0000212700000000, 0.0021125600000000, 0.0000052400000000 ] - [ -0.0000212700000000, 0.0021125600000000, 0.0000052400000000 ] - [ 0.0000000000000000, -0.0066318500000000, 0.0050141000000000 ] - [ -0.0011312400000000, -0.0010510700000000, 0.0002921200000000 ] - [ 0.0011312400000000, -0.0010510700000000, 0.0002921200000000 ] - [ 0.0000000000000000, -0.0066430400000000, -0.0049530400000000 ] - [ 0.0011230800000000, -0.0010625900000000, -0.0002885200000000 ] - [ -0.0011230800000000, -0.0010625900000000, -0.0002885200000000 ] - [ -0.0000139300000000, 0.0029776200000000, -0.0000150900000000 ] - [ 0.0000139300000000, 0.0029776200000000, -0.0000150900000000 ] - [ 0.0000000000000000, 0.0011781600000000, -0.0000042100000000 ] - [ 0.0010304000000000, -0.0015064000000000, 0.0002898300000000 ] - [ -0.0010304000000000, -0.0015064000000000, 0.0002898300000000 ] - [ 0.0000000000000000, -0.0005849500000000, 0.0001657600000000 ] - [ -0.0010195700000000, -0.0015220300000000, -0.0002877300000000 ] - [ 0.0010195700000000, -0.0015220300000000, -0.0002877300000000 ] - [ 0.0000000000000000, -0.0005934100000000, -0.0001631100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0117545200000000 ] - [ -0.0005384600000000, 0.0000000000000000, -0.0001192100000000 ] - [ 0.0005384600000000, 0.0000000000000000, -0.0001192100000000 ] - [ 0.0000000000000000, -0.0009412000000000, -0.0003136400000000 ] - [ -0.0001768300000000, -0.0001113300000000, -0.0000896400000000 ] - [ 0.0001768300000000, -0.0001113300000000, -0.0000896400000000 ] - [ 0.0000000000000000, 0.0009412000000000, -0.0003136400000000 ] - [ -0.0001768300000000, 0.0001113300000000, -0.0000896400000000 ] - [ 0.0001768300000000, 0.0001113300000000, -0.0000896400000000 ] - [ 0.0027535700000000, 0.0000000000000000, 0.0065399700000000 ] - [ -0.0027535700000000, 0.0000000000000000, 0.0065399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001485400000000 ] - [ 0.0001344000000000, -0.0003810900000000, 0.0002827000000000 ] - [ -0.0001344000000000, -0.0003810900000000, 0.0002827000000000 ] - [ 0.0000000000000000, -0.0000459600000000, 0.0000650200000000 ] - [ 0.0001344000000000, 0.0003810900000000, 0.0002827000000000 ] - [ -0.0001344000000000, 0.0003810900000000, 0.0002827000000000 ] - [ 0.0000000000000000, 0.0000459600000000, 0.0000650200000000 ] - [ -0.0014619400000000, -0.0013198400000000, 0.0002018900000000 ] - [ 0.0014619400000000, -0.0013198400000000, 0.0002018900000000 ] - [ 0.0000000000000000, -0.0002095000000000, 0.0000690400000000 ] - [ -0.0014619400000000, 0.0013198400000000, 0.0002018900000000 ] - [ 0.0014619400000000, 0.0013198400000000, 0.0002018900000000 ] - [ 0.0000000000000000, 0.0002095000000000, 0.0000690400000000 ] - [ -0.0001347700000000, 0.0000000000000000, 0.0001319100000000 ] - [ 0.0001347700000000, 0.0000000000000000, 0.0001319100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000558600000000 ] - [ 0.0000000000000000, -0.0012674300000000, -0.0015896700000000 ] - [ 0.0000584300000000, -0.0002326300000000, -0.0002307100000000 ] - [ -0.0000584300000000, -0.0002326300000000, -0.0002307100000000 ] - [ 0.0000000000000000, 0.0012674300000000, -0.0015896700000000 ] - [ 0.0000584300000000, 0.0002326300000000, -0.0002307100000000 ] - [ -0.0000584300000000, 0.0002326300000000, -0.0002307100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110700000000 ] - [ -0.0000596200000000, 0.0000000000000000, -0.0000895300000000 ] - [ 0.0000596200000000, 0.0000000000000000, -0.0000895300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0823525500000000 ] - [ 0.0003278400000000, 0.0000000000000000, -0.0008930400000000 ] - [ -0.0003278400000000, 0.0000000000000000, -0.0008930400000000 ] - [ 0.0000000000000000, 0.0046892000000000, -0.0018916200000000 ] - [ 0.0002620700000000, 0.0001687500000000, -0.0000646100000000 ] - [ -0.0002620700000000, 0.0001687500000000, -0.0000646100000000 ] - [ 0.0000000000000000, -0.0046892000000000, -0.0018916200000000 ] - [ 0.0002620700000000, -0.0001687500000000, -0.0000646100000000 ] - [ -0.0002620700000000, -0.0001687500000000, -0.0000646100000000 ] - [ -0.0030597800000000, -0.0023817600000000, -0.0022871600000000 ] - [ 0.0030597800000000, -0.0023817600000000, -0.0022871600000000 ] - [ 0.0000000000000000, 0.0000712600000000, -0.0004698000000000 ] - [ -0.0030597800000000, 0.0023817600000000, -0.0022871600000000 ] - [ 0.0030597800000000, 0.0023817600000000, -0.0022871600000000 ] - [ 0.0000000000000000, -0.0000712600000000, -0.0004698000000000 ] - [ -0.0003655900000000, 0.0000000000000000, -0.0004739000000000 ] - [ 0.0003655900000000, 0.0000000000000000, -0.0004739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003740700000000 ] - [ 0.0000000000000000, -0.0057838400000000, 0.0042381800000000 ] - [ 0.0008234700000000, -0.0001078200000000, 0.0004082700000000 ] - [ -0.0008234700000000, -0.0001078200000000, 0.0004082700000000 ] - [ 0.0000000000000000, 0.0057838400000000, 0.0042381800000000 ] - [ 0.0008234700000000, 0.0001078200000000, 0.0004082700000000 ] - [ -0.0008234700000000, 0.0001078200000000, 0.0004082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005907200000000 ] - [ 0.0001959000000000, 0.0000000000000000, 0.0003798200000000 ] - [ -0.0001959000000000, 0.0000000000000000, 0.0003798200000000 ] - [ -0.0022294200000000, 0.0000000000000000, 0.0044978300000000 ] - [ 0.0022294200000000, 0.0000000000000000, 0.0044978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000826900000000 ] - [ -0.0004876900000000, 0.0006667900000000, 0.0004375300000000 ] - [ 0.0004876900000000, 0.0006667900000000, 0.0004375300000000 ] - [ 0.0000000000000000, 0.0000430500000000, -0.0001454000000000 ] - [ -0.0004876900000000, -0.0006667900000000, 0.0004375300000000 ] - [ 0.0004876900000000, -0.0006667900000000, 0.0004375300000000 ] - [ 0.0000000000000000, -0.0000430500000000, -0.0001454000000000 ] - [ 0.0004891100000000, 0.0009501100000000, 0.0022867300000000 ] - [ -0.0004891100000000, 0.0009501100000000, 0.0022867300000000 ] - [ 0.0000000000000000, 0.0002699000000000, 0.0007583300000000 ] - [ 0.0004891100000000, -0.0009501100000000, 0.0022867300000000 ] - [ -0.0004891100000000, -0.0009501100000000, 0.0022867300000000 ] - [ 0.0000000000000000, -0.0002699000000000, 0.0007583300000000 ] - [ 0.0000697500000000, 0.0000000000000000, 0.0009073400000000 ] - [ -0.0000697500000000, 0.0000000000000000, 0.0009073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005664100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0169051500000000 ] - [ -0.0011681600000000, 0.0000000000000000, 0.0005201800000000 ] - [ 0.0011681600000000, 0.0000000000000000, 0.0005201800000000 ] - [ 0.0000000000000000, -0.0005464300000000, 0.0005307300000000 ] - [ -0.0001020300000000, -0.0001001600000000, -0.0002105700000000 ] - [ 0.0001020300000000, -0.0001001600000000, -0.0002105700000000 ] - [ 0.0000000000000000, 0.0005464300000000, 0.0005307300000000 ] - [ -0.0001020300000000, 0.0001001600000000, -0.0002105700000000 ] - [ 0.0001020300000000, 0.0001001600000000, -0.0002105700000000 ] - [ 0.0090579200000000, 0.0000000000000000, 0.0042404200000000 ] - [ -0.0090579200000000, 0.0000000000000000, 0.0042404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005969300000000 ] - [ 0.0007364100000000, -0.0006964600000000, 0.0004104900000000 ] - [ -0.0007364100000000, -0.0006964600000000, 0.0004104900000000 ] - [ 0.0000000000000000, -0.0001549800000000, 0.0003612200000000 ] - [ 0.0007364100000000, 0.0006964600000000, 0.0004104900000000 ] - [ -0.0007364100000000, 0.0006964600000000, 0.0004104900000000 ] - [ 0.0000000000000000, 0.0001549800000000, 0.0003612200000000 ] - [ 0.0000000000000000, 0.0142967400000000, 0.0024888700000000 ] - [ -0.0004865200000000, 0.0007701400000000, -0.0011002500000000 ] - [ 0.0004865200000000, 0.0007701400000000, -0.0011002500000000 ] - [ 0.0000000000000000, -0.0142967400000000, 0.0024888700000000 ] - [ -0.0004865200000000, -0.0007701400000000, -0.0011002500000000 ] - [ 0.0004865200000000, -0.0007701400000000, -0.0011002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016519800000000 ] - [ -0.0001257600000000, 0.0000000000000000, -0.0006746100000000 ] - [ 0.0001257600000000, 0.0000000000000000, -0.0006746100000000 ] - [ 0.0032142900000000, 0.0018442300000000, -0.0027249100000000 ] - [ -0.0032142900000000, 0.0018442300000000, -0.0027249100000000 ] - [ 0.0000000000000000, -0.0000888700000000, -0.0004174900000000 ] - [ 0.0032142900000000, -0.0018442300000000, -0.0027249100000000 ] - [ -0.0032142900000000, -0.0018442300000000, -0.0027249100000000 ] - [ 0.0000000000000000, 0.0000888700000000, -0.0004174900000000 ] - [ 0.0002433500000000, 0.0000000000000000, -0.0004166600000000 ] - [ -0.0002433500000000, 0.0000000000000000, -0.0004166600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002221800000000 ] - [ 0.0000000000000000, -0.0019682100000000, 0.0167358700000000 ] - [ -0.0012584500000000, -0.0002084800000000, 0.0010680500000000 ] - [ 0.0012584500000000, -0.0002084800000000, 0.0010680500000000 ] - [ 0.0000000000000000, 0.0019682100000000, 0.0167358700000000 ] - [ -0.0012584500000000, 0.0002084800000000, 0.0010680500000000 ] - [ 0.0012584500000000, 0.0002084800000000, 0.0010680500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010093100000000 ] - [ -0.0001917400000000, 0.0000000000000000, 0.0003245100000000 ] - [ 0.0001917400000000, 0.0000000000000000, 0.0003245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0241998200000000 ] - [ 0.0035158200000000, 0.0000000000000000, 0.0010689800000000 ] - [ -0.0035158200000000, 0.0000000000000000, 0.0010689800000000 ] - [ 0.0000000000000000, 0.0046159000000000, 0.0011777300000000 ] - [ 0.0003387600000000, 0.0003843400000000, 0.0003737700000000 ] - [ -0.0003387600000000, 0.0003843400000000, 0.0003737700000000 ] - [ 0.0000000000000000, -0.0046159000000000, 0.0011777300000000 ] - [ 0.0003387600000000, -0.0003843400000000, 0.0003737700000000 ] - [ -0.0003387600000000, -0.0003843400000000, 0.0003737700000000 ] - [ -0.0040651300000000, 0.0000000000000000, -0.0058855400000000 ] - [ 0.0040651300000000, 0.0000000000000000, -0.0058855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008316100000000 ] - [ -0.0002566300000000, 0.0005285400000000, -0.0011363200000000 ] - [ 0.0002566300000000, 0.0005285400000000, -0.0011363200000000 ] - [ 0.0000000000000000, 0.0001399900000000, -0.0002851200000000 ] - [ -0.0002566300000000, -0.0005285400000000, -0.0011363200000000 ] - [ 0.0002566300000000, -0.0005285400000000, -0.0011363200000000 ] - [ 0.0000000000000000, -0.0001399900000000, -0.0002851200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0117054800000000 ] - [ 0.0004213200000000, 0.0000000000000000, 0.0001262000000000 ] - [ -0.0004213200000000, 0.0000000000000000, 0.0001262000000000 ] - [ 0.0000000000000000, 0.0008171700000000, 0.0003197900000000 ] - [ 0.0000715000000000, 0.0000002000000000, 0.0000879900000000 ] - [ -0.0000715000000000, 0.0000002000000000, 0.0000879900000000 ] - [ 0.0000000000000000, -0.0008171700000000, 0.0003197900000000 ] - [ 0.0000715000000000, -0.0000002000000000, 0.0000879900000000 ] - [ -0.0000715000000000, -0.0000002000000000, 0.0000879900000000 ] - [ -0.0029468600000000, 0.0000000000000000, -0.0065167400000000 ] - [ 0.0029468600000000, 0.0000000000000000, -0.0065167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001463000000000 ] - [ -0.0002545300000000, 0.0002752500000000, -0.0002795400000000 ] - [ 0.0002545300000000, 0.0002752500000000, -0.0002795400000000 ] - [ 0.0000000000000000, -0.0000567200000000, -0.0000634000000000 ] - [ -0.0002545300000000, -0.0002752500000000, -0.0002795400000000 ] - [ 0.0002545300000000, -0.0002752500000000, -0.0002795400000000 ] - [ 0.0000000000000000, 0.0000567200000000, -0.0000634000000000 ] - [ 0.0013591100000000, 0.0012252400000000, -0.0002114100000000 ] - [ -0.0013591100000000, 0.0012252400000000, -0.0002114100000000 ] - [ 0.0000000000000000, 0.0000885100000000, -0.0000728300000000 ] - [ 0.0013591100000000, -0.0012252400000000, -0.0002114100000000 ] - [ -0.0013591100000000, -0.0012252400000000, -0.0002114100000000 ] - [ 0.0000000000000000, -0.0000885100000000, -0.0000728300000000 ] - [ 0.0000083000000000, 0.0000000000000000, -0.0001380100000000 ] - [ -0.0000083000000000, 0.0000000000000000, -0.0001380100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000480000000000 ] - [ 0.0000000000000000, 0.0011697700000000, 0.0015966000000000 ] - [ -0.0001671100000000, 0.0001290700000000, 0.0002353600000000 ] - [ 0.0001671100000000, 0.0001290700000000, 0.0002353600000000 ] - [ 0.0000000000000000, -0.0011697700000000, 0.0015966000000000 ] - [ -0.0001671100000000, -0.0001290700000000, 0.0002353600000000 ] - [ 0.0001671100000000, -0.0001290700000000, 0.0002353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002015900000000 ] - [ -0.0000619000000000, 0.0000000000000000, 0.0000875900000000 ] - [ 0.0000619000000000, 0.0000000000000000, 0.0000875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0865201100000000 ] - [ -0.0003366300000000, 0.0000000000000000, 0.0017213900000000 ] - [ 0.0003366300000000, 0.0000000000000000, 0.0017213900000000 ] - [ 0.0000000000000000, -0.0048045400000000, 0.0027700900000000 ] - [ -0.0002997800000000, -0.0001802100000000, 0.0008930400000000 ] - [ 0.0002997800000000, -0.0001802100000000, 0.0008930400000000 ] - [ 0.0000000000000000, 0.0048045400000000, 0.0027700900000000 ] - [ -0.0002997800000000, 0.0001802100000000, 0.0008930400000000 ] - [ 0.0002997800000000, 0.0001802100000000, 0.0008930400000000 ] - [ 0.0031194500000000, 0.0023926000000000, 0.0014072200000000 ] - [ -0.0031194500000000, 0.0023926000000000, 0.0014072200000000 ] - [ 0.0000000000000000, -0.0000527000000000, -0.0003615100000000 ] - [ 0.0031194500000000, -0.0023926000000000, 0.0014072200000000 ] - [ -0.0031194500000000, -0.0023926000000000, 0.0014072200000000 ] - [ 0.0000000000000000, 0.0000527000000000, -0.0003615100000000 ] - [ 0.0003705300000000, 0.0000000000000000, -0.0003648000000000 ] - [ -0.0003705300000000, 0.0000000000000000, -0.0003648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004283100000000 ] - [ 0.0000000000000000, 0.0056839800000000, -0.0034314300000000 ] - [ -0.0008357600000000, 0.0000951300000000, 0.0004080100000000 ] - [ 0.0008357600000000, 0.0000951300000000, 0.0004080100000000 ] - [ 0.0000000000000000, -0.0056839800000000, -0.0034314300000000 ] - [ -0.0008357600000000, -0.0000951300000000, 0.0004080100000000 ] - [ 0.0008357600000000, -0.0000951300000000, 0.0004080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002365500000000 ] - [ -0.0002058100000000, 0.0000000000000000, 0.0004458000000000 ] - [ 0.0002058100000000, 0.0000000000000000, 0.0004458000000000 ] - [ 0.0021925900000000, 0.0000000000000000, -0.0053082800000000 ] - [ -0.0021925900000000, 0.0000000000000000, -0.0053082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009141500000000 ] - [ 0.0004905500000000, -0.0006616400000000, -0.0012629800000000 ] - [ -0.0004905500000000, -0.0006616400000000, -0.0012629800000000 ] - [ 0.0000000000000000, -0.0000364100000000, -0.0006716400000000 ] - [ 0.0004905500000000, 0.0006616400000000, -0.0012629800000000 ] - [ -0.0004905500000000, 0.0006616400000000, -0.0012629800000000 ] - [ 0.0000000000000000, 0.0000364100000000, -0.0006716400000000 ] - [ -0.0004970500000000, -0.0009721900000000, -0.0014483900000000 ] - [ 0.0004970500000000, -0.0009721900000000, -0.0014483900000000 ] - [ 0.0000000000000000, -0.0002904300000000, 0.0000811200000000 ] - [ -0.0004970500000000, 0.0009721900000000, -0.0014483900000000 ] - [ 0.0004970500000000, 0.0009721900000000, -0.0014483900000000 ] - [ 0.0000000000000000, 0.0002904300000000, 0.0000811200000000 ] - [ -0.0000854300000000, 0.0000000000000000, -0.0000771200000000 ] - [ 0.0000854300000000, 0.0000000000000000, -0.0000771200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179889600000000 ] - [ 0.0011634500000000, 0.0000000000000000, -0.0013449900000000 ] - [ -0.0011634500000000, 0.0000000000000000, -0.0013449900000000 ] - [ 0.0000000000000000, 0.0005461900000000, -0.0013441500000000 ] - [ 0.0000989800000000, 0.0001155500000000, -0.0006193700000000 ] - [ -0.0000989800000000, 0.0001155500000000, -0.0006193700000000 ] - [ 0.0000000000000000, -0.0005461900000000, -0.0013441500000000 ] - [ 0.0000989800000000, -0.0001155500000000, -0.0006193700000000 ] - [ -0.0000989800000000, -0.0001155500000000, -0.0006193700000000 ] - [ -0.0091717000000000, 0.0000000000000000, -0.0034205600000000 ] - [ 0.0091717000000000, 0.0000000000000000, -0.0034205600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002386600000000 ] - [ -0.0007281700000000, 0.0006943000000000, 0.0004179300000000 ] - [ 0.0007281700000000, 0.0006943000000000, 0.0004179300000000 ] - [ 0.0000000000000000, 0.0001302500000000, 0.0004405400000000 ] - [ -0.0007281700000000, -0.0006943000000000, 0.0004179300000000 ] - [ 0.0007281700000000, -0.0006943000000000, 0.0004179300000000 ] - [ 0.0000000000000000, -0.0001302500000000, 0.0004405400000000 ] - [ 0.0000000000000000, -0.0144652500000000, -0.0032949800000000 ] - [ 0.0004847400000000, -0.0007748500000000, 0.0002712300000000 ] - [ -0.0004847400000000, -0.0007748500000000, 0.0002712300000000 ] - [ 0.0000000000000000, 0.0144652500000000, -0.0032949800000000 ] - [ 0.0004847400000000, 0.0007748500000000, 0.0002712300000000 ] - [ -0.0004847400000000, 0.0007748500000000, 0.0002712300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008221600000000 ] - [ 0.0001009100000000, 0.0000000000000000, -0.0001486600000000 ] - [ -0.0001009100000000, 0.0000000000000000, -0.0001486600000000 ] - [ -0.0032096700000000, -0.0018101300000000, 0.0027536500000000 ] - [ 0.0032096700000000, -0.0018101300000000, 0.0027536500000000 ] - [ 0.0000000000000000, 0.0000936400000000, 0.0004155200000000 ] - [ -0.0032096700000000, 0.0018101300000000, 0.0027536500000000 ] - [ 0.0032096700000000, 0.0018101300000000, 0.0027536500000000 ] - [ 0.0000000000000000, -0.0000936400000000, 0.0004155200000000 ] - [ -0.0002452800000000, 0.0000000000000000, 0.0004361600000000 ] - [ 0.0002452800000000, 0.0000000000000000, 0.0004361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001963600000000 ] - [ 0.0000000000000000, 0.0020256800000000, -0.0168652600000000 ] - [ 0.0012939900000000, 0.0001973300000000, -0.0010613600000000 ] - [ -0.0012939900000000, 0.0001973300000000, -0.0010613600000000 ] - [ 0.0000000000000000, -0.0020256800000000, -0.0168652600000000 ] - [ 0.0012939900000000, -0.0001973300000000, -0.0010613600000000 ] - [ -0.0012939900000000, -0.0001973300000000, -0.0010613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009949700000000 ] - [ 0.0002266600000000, 0.0000000000000000, -0.0003411800000000 ] - [ -0.0002266600000000, 0.0000000000000000, -0.0003411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0270419400000000 ] - [ -0.0035442800000000, 0.0000000000000000, -0.0010897400000000 ] - [ 0.0035442800000000, 0.0000000000000000, -0.0010897400000000 ] - [ 0.0000000000000000, -0.0046555400000000, -0.0012261100000000 ] - [ -0.0003231000000000, -0.0003713400000000, -0.0003697700000000 ] - [ 0.0003231000000000, -0.0003713400000000, -0.0003697700000000 ] - [ 0.0000000000000000, 0.0046555400000000, -0.0012261100000000 ] - [ -0.0003231000000000, 0.0003713400000000, -0.0003697700000000 ] - [ 0.0003231000000000, 0.0003713400000000, -0.0003697700000000 ] - [ 0.0041139600000000, 0.0000000000000000, 0.0059014000000000 ] - [ -0.0041139600000000, 0.0000000000000000, 0.0059014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008247100000000 ] - [ 0.0002608300000000, -0.0005338100000000, 0.0011372400000000 ] - [ -0.0002608300000000, -0.0005338100000000, 0.0011372400000000 ] - [ 0.0000000000000000, -0.0001544400000000, 0.0002932700000000 ] - [ 0.0002608300000000, 0.0005338100000000, 0.0011372400000000 ] - [ -0.0002608300000000, 0.0005338100000000, 0.0011372400000000 ] - [ 0.0000000000000000, 0.0001544400000000, 0.0002932700000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034656800000000, 0.0126590700000000, 0.0007487800000000 ] - [ 0.0021422700000000, -0.0001005800000000, 0.0000006000000000 ] - [ 0.0036630400000000, -0.0127381300000000, -0.0007448700000000 ] - [ -0.0003677500000000, 0.0000000000000000, 0.0000982700000000 ] - [ 0.0005381100000000, 0.0000000000000000, 0.0000006600000000 ] - [ -0.0001637900000000, 0.0000000000000000, -0.0000978700000000 ] - [ 0.0034656800000000, -0.0126590700000000, 0.0007487800000000 ] - [ 0.0021422700000000, 0.0001005800000000, 0.0000006000000000 ] - [ 0.0036630400000000, 0.0127381300000000, -0.0007448700000000 ] - [ -0.0031035600000000, -0.0001117500000000, 0.0000178100000000 ] - [ 0.0012953300000000, 0.0008549400000000, -0.0006987800000000 ] - [ 0.0010701200000000, -0.0010748300000000, 0.0006957800000000 ] - [ -0.0005325000000000, 0.0000000000000000, 0.0000006100000000 ] - [ 0.0003648900000000, 0.0000000000000000, -0.0000954900000000 ] - [ 0.0001670600000000, 0.0000000000000000, 0.0000979100000000 ] - [ -0.0031035600000000, 0.0001117500000000, 0.0000178100000000 ] - [ 0.0012953300000000, -0.0008549400000000, -0.0006987800000000 ] - [ 0.0010701200000000, 0.0010748300000000, 0.0006957800000000 ] - [ -0.0013576200000000, 0.0000000000000000, -0.0000072300000000 ] - [ 0.0008446800000000, 0.0000000000000000, -0.0000602000000000 ] - [ 0.0006439700000000, 0.0000000000000000, 0.0000604300000000 ] - [ -0.0006960200000000, 0.0000990500000000, -0.0000004400000000 ] - [ 0.0004600800000000, 0.0003535500000000, 0.0000461600000000 ] - [ 0.0002373200000000, -0.0001283300000000, -0.0000465500000000 ] - [ -0.0006960200000000, -0.0000990500000000, -0.0000004400000000 ] - [ 0.0004600800000000, -0.0003535500000000, 0.0000461600000000 ] - [ 0.0002373200000000, 0.0001283300000000, -0.0000465500000000 ] - [ 0.0011101300000000, 0.0000000000000000, 0.0081879300000000 ] - [ 0.0020741000000000, 0.0000000000000000, 0.0000017900000000 ] - [ 0.0013165200000000, 0.0000000000000000, -0.0080980100000000 ] - [ -0.0004721200000000, 0.0006629300000000, -0.0000373600000000 ] - [ 0.0007073300000000, 0.0001008700000000, -0.0000003400000000 ] - [ -0.0002432300000000, -0.0004376200000000, 0.0000357600000000 ] - [ -0.0004721200000000, -0.0006629300000000, -0.0000373600000000 ] - [ 0.0007073300000000, -0.0001008700000000, -0.0000003400000000 ] - [ -0.0002432300000000, 0.0004376200000000, 0.0000357600000000 ] - [ 0.0006868900000000, -0.0041588500000000, 0.0036719600000000 ] - [ -0.0018819500000000, -0.0000116200000000, 0.0004404400000000 ] - [ 0.0006914500000000, 0.0041176600000000, -0.0027654200000000 ] - [ 0.0003470800000000, 0.0000000000000000, 0.0006894000000000 ] - [ -0.0007111000000000, 0.0000000000000000, 0.0004512300000000 ] - [ 0.0003596000000000, 0.0000000000000000, 0.0001962700000000 ] - [ 0.0006868900000000, 0.0041588500000000, 0.0036719600000000 ] - [ -0.0018819500000000, 0.0000116200000000, 0.0004404400000000 ] - [ 0.0006914500000000, -0.0041176600000000, -0.0027654200000000 ] - [ 0.0223308500000000, 0.0000000000000000, -0.0003163300000000 ] - [ -0.0066344400000000, 0.0000000000000000, 0.0042069800000000 ] - [ -0.0066459800000000, 0.0000000000000000, -0.0050811200000000 ] - [ 0.0021131000000000, 0.0000124100000000, -0.0004504300000000 ] - [ -0.0010448100000000, -0.0006099600000000, -0.0000713600000000 ] - [ -0.0010694100000000, 0.0006225300000000, -0.0008167900000000 ] - [ 0.0021131000000000, -0.0000124100000000, -0.0004504300000000 ] - [ -0.0010448100000000, 0.0006099600000000, -0.0000713600000000 ] - [ -0.0010694100000000, -0.0006225300000000, -0.0008167900000000 ] - [ 0.0426799400000000, 0.0000000000000000, -0.0018259100000000 ] - [ -0.0120771900000000, 0.0000000000000000, 0.0004419700000000 ] - [ 0.0388882900000000, 0.0000000000000000, 0.0021794500000000 ] - [ 0.0012144500000000, -0.0011541000000000, 0.0002419700000000 ] - [ -0.0023165400000000, 0.0000059200000000, 0.0004444700000000 ] - [ 0.0012109200000000, 0.0011719200000000, 0.0006442100000000 ] - [ 0.0012144500000000, 0.0011541000000000, 0.0002419700000000 ] - [ -0.0023165400000000, -0.0000059200000000, 0.0004444700000000 ] - [ 0.0012109200000000, -0.0011719200000000, 0.0006442100000000 ] - [ 0.0149337600000000, -0.0001682200000000, -0.0004981200000000 ] - [ -0.0042555700000000, -0.0048664800000000, -0.0017270000000000 ] - [ -0.0042510700000000, 0.0048271600000000, 0.0008323600000000 ] - [ 0.0009257300000000, 0.0000000000000000, -0.0004477400000000 ] - [ -0.0004373100000000, 0.0000000000000000, -0.0006654200000000 ] - [ -0.0004567900000000, 0.0000000000000000, -0.0002201500000000 ] - [ 0.0149337600000000, 0.0001682200000000, -0.0004981200000000 ] - [ -0.0042555700000000, 0.0048664800000000, -0.0017270000000000 ] - [ -0.0042510700000000, -0.0048271600000000, 0.0008323600000000 ] - [ 0.0159241900000000, 0.0000000000000000, 0.0003992400000000 ] - [ -0.0034298100000000, 0.0000000000000000, -0.0030971100000000 ] - [ -0.0034272000000000, 0.0000000000000000, 0.0039728900000000 ] - [ 0.0011075800000000, 0.0000236800000000, 0.0004414600000000 ] - [ -0.0005242900000000, -0.0011191200000000, 0.0001179900000000 ] - [ -0.0005441500000000, 0.0011355600000000, 0.0007720800000000 ] - [ 0.0011075800000000, -0.0000236800000000, 0.0004414600000000 ] - [ -0.0005242900000000, 0.0011191200000000, 0.0001179900000000 ] - [ -0.0005441500000000, -0.0011355600000000, 0.0007720800000000 ] - [ 0.0014308700000000, -0.0020342500000000, -0.0022751100000000 ] - [ -0.0032913100000000, -0.0000094100000000, -0.0004474000000000 ] - [ 0.0014169500000000, 0.0020118400000000, 0.0013790600000000 ] - [ 0.0006072200000000, 0.0000000000000000, -0.0003447700000000 ] - [ -0.0012225600000000, 0.0000000000000000, -0.0004516900000000 ] - [ 0.0006186200000000, 0.0000000000000000, -0.0005326500000000 ] - [ 0.0014308700000000, 0.0020342500000000, -0.0022751100000000 ] - [ -0.0032913100000000, 0.0000094100000000, -0.0004474000000000 ] - [ 0.0014169500000000, -0.0020118400000000, 0.0013790600000000 ] - [ 0.0029793600000000, -0.0000067700000000, 0.0004586000000000 ] - [ -0.0015030100000000, -0.0005087400000000, -0.0000815200000000 ] - [ -0.0015270900000000, 0.0004917400000000, 0.0009717100000000 ] - [ 0.0011787500000000, 0.0000000000000000, 0.0004528900000000 ] - [ -0.0005773900000000, 0.0000000000000000, 0.0002864400000000 ] - [ -0.0006007000000000, 0.0000000000000000, 0.0005909700000000 ] - [ 0.0029793600000000, 0.0000067700000000, 0.0004586000000000 ] - [ -0.0015030100000000, 0.0005087400000000, -0.0000815200000000 ] - [ -0.0015270900000000, -0.0004917400000000, 0.0009717100000000 ] - [ 0.0008126300000000, 0.0000000000000000, 0.0036560600000000 ] - [ -0.0018040700000000, 0.0000000000000000, -0.0004494000000000 ] - [ 0.0008266500000000, 0.0000000000000000, -0.0045135500000000 ] - [ 0.0003851100000000, -0.0010169900000000, -0.0001837700000000 ] - [ -0.0007727100000000, 0.0000084000000000, -0.0004414500000000 ] - [ 0.0003966300000000, 0.0010348500000000, -0.0007080000000000 ] - [ 0.0003851100000000, 0.0010169900000000, -0.0001837700000000 ] - [ -0.0007727100000000, -0.0000084000000000, -0.0004414500000000 ] - [ 0.0003966300000000, -0.0010348500000000, -0.0007080000000000 ] - [ -0.1856581700000000, 0.0000000000000000, 0.0007689200000000 ] - [ 0.0271096600000000, 0.0000000000000000, 0.0020393700000000 ] - [ 0.0269196200000000, 0.0000000000000000, -0.0020208600000000 ] - [ -0.0025608400000000, -0.0000376100000000, 0.0000073800000000 ] - [ 0.0013122200000000, 0.0028208900000000, -0.0004010400000000 ] - [ 0.0013276600000000, -0.0028089900000000, 0.0003960600000000 ] - [ -0.0025608400000000, 0.0000376100000000, 0.0000073800000000 ] - [ 0.0013122200000000, -0.0028208900000000, -0.0004010400000000 ] - [ 0.0013276600000000, 0.0028089900000000, 0.0003960600000000 ] - [ 0.0052581700000000, 0.0000000000000000, -0.0335541500000000 ] - [ 0.0076615900000000, 0.0000000000000000, 0.0000084400000000 ] - [ 0.0052275400000000, 0.0000000000000000, 0.0332551100000000 ] - [ -0.0010073900000000, 0.0025949800000000, 0.0000141500000000 ] - [ 0.0020226400000000, -0.0000053100000000, -0.0000016900000000 ] - [ -0.0010013800000000, -0.0025867000000000, -0.0000029900000000 ] - [ -0.0010073900000000, -0.0025949800000000, 0.0000141500000000 ] - [ 0.0020226400000000, 0.0000053100000000, -0.0000016900000000 ] - [ -0.0010013800000000, 0.0025867000000000, -0.0000029900000000 ] - [ -0.0014896900000000, 0.0014293300000000, -0.0008986400000000 ] - [ 0.0028424700000000, 0.0000028900000000, 0.0000135000000000 ] - [ -0.0014418600000000, -0.0014482000000000, 0.0008957500000000 ] - [ -0.0005988500000000, 0.0000000000000000, -0.0003804000000000 ] - [ 0.0012058500000000, 0.0000000000000000, -0.0000045000000000 ] - [ -0.0006008300000000, 0.0000000000000000, 0.0003756900000000 ] - [ -0.0014896900000000, -0.0014293300000000, -0.0008986400000000 ] - [ 0.0028424700000000, -0.0000028900000000, 0.0000135000000000 ] - [ -0.0014418600000000, 0.0014482000000000, 0.0008957500000000 ] - [ -0.0095551900000000, -0.0000725000000000, -0.0000646900000000 ] - [ 0.0030501100000000, 0.0025915100000000, 0.0026791300000000 ] - [ 0.0030737600000000, -0.0025785000000000, -0.0026768400000000 ] - [ -0.0012978200000000, 0.0000000000000000, -0.0000086500000000 ] - [ 0.0006366600000000, 0.0000000000000000, 0.0004689200000000 ] - [ 0.0006559000000000, 0.0000000000000000, -0.0004678200000000 ] - [ -0.0095551900000000, 0.0000725000000000, -0.0000646900000000 ] - [ 0.0030501100000000, -0.0025915100000000, 0.0026791300000000 ] - [ 0.0030737600000000, 0.0025785000000000, -0.0026768400000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005885900000000, -0.0008616000000000, -0.0033951700000000 ] - [ 0.0000000000000000, -0.0002914500000000, -0.0002285000000000 ] - [ -0.0005885900000000, -0.0008616000000000, -0.0033951700000000 ] - [ 0.0000902200000000, 0.0000000000000000, -0.0002310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001222500000000 ] - [ -0.0000902200000000, 0.0000000000000000, -0.0002310200000000 ] - [ 0.0005885900000000, 0.0008616000000000, -0.0033951700000000 ] - [ 0.0000000000000000, 0.0002914500000000, -0.0002285000000000 ] - [ -0.0005885900000000, 0.0008616000000000, -0.0033951700000000 ] - [ 0.0000000000000000, -0.0095183100000000, 0.0037930200000000 ] - [ -0.0005189900000000, -0.0005709800000000, -0.0000115400000000 ] - [ 0.0005189900000000, -0.0005709800000000, -0.0000115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233600000000 ] - [ 0.0001075600000000, 0.0000000000000000, 0.0000137800000000 ] - [ -0.0001075600000000, 0.0000000000000000, 0.0000137800000000 ] - [ 0.0000000000000000, 0.0095183100000000, 0.0037930200000000 ] - [ -0.0005189900000000, 0.0005709800000000, -0.0000115400000000 ] - [ 0.0005189900000000, 0.0005709800000000, -0.0000115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081739700000000 ] - [ -0.0000519600000000, 0.0000000000000000, 0.0005775600000000 ] - [ 0.0000519600000000, 0.0000000000000000, 0.0005775600000000 ] - [ 0.0000000000000000, 0.0002528000000000, 0.0005822200000000 ] - [ 0.0001678300000000, 0.0000569200000000, 0.0002322000000000 ] - [ -0.0001678300000000, 0.0000569200000000, 0.0002322000000000 ] - [ 0.0000000000000000, -0.0002528000000000, 0.0005822200000000 ] - [ 0.0001678300000000, -0.0000569200000000, 0.0002322000000000 ] - [ -0.0001678300000000, -0.0000569200000000, 0.0002322000000000 ] - [ 0.0094100500000000, 0.0000000000000000, 0.0038337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000277700000000 ] - [ -0.0094100500000000, 0.0000000000000000, 0.0038337600000000 ] - [ 0.0003468300000000, 0.0007452200000000, -0.0000164200000000 ] - [ 0.0000000000000000, 0.0000922500000000, 0.0000086800000000 ] - [ -0.0003468300000000, 0.0007452200000000, -0.0000164200000000 ] - [ 0.0003468300000000, -0.0007452200000000, -0.0000164200000000 ] - [ 0.0000000000000000, -0.0000922500000000, 0.0000086800000000 ] - [ -0.0003468300000000, -0.0007452200000000, -0.0000164200000000 ] - [ 0.0032076300000000, 0.0049915400000000, -0.0022684800000000 ] - [ 0.0000000000000000, 0.0007253900000000, 0.0000504400000000 ] - [ -0.0032076300000000, 0.0049915400000000, -0.0022684800000000 ] - [ -0.0000217600000000, 0.0000000000000000, 0.0000431800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002785400000000 ] - [ 0.0000217600000000, 0.0000000000000000, 0.0000431800000000 ] - [ 0.0032076300000000, -0.0049915400000000, -0.0022684800000000 ] - [ 0.0000000000000000, -0.0007253900000000, 0.0000504400000000 ] - [ -0.0032076300000000, -0.0049915400000000, -0.0022684800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0236424000000000 ] - [ 0.0049744000000000, 0.0000000000000000, 0.0007360100000000 ] - [ -0.0049744000000000, 0.0000000000000000, 0.0007360100000000 ] - [ 0.0000000000000000, 0.0010177600000000, 0.0005984000000000 ] - [ 0.0003029400000000, 0.0005288100000000, -0.0001068900000000 ] - [ -0.0003029400000000, 0.0005288100000000, -0.0001068900000000 ] - [ 0.0000000000000000, -0.0010177600000000, 0.0005984000000000 ] - [ 0.0003029400000000, -0.0005288100000000, -0.0001068900000000 ] - [ -0.0003029400000000, -0.0005288100000000, -0.0001068900000000 ] - [ -0.0082038700000000, 0.0000000000000000, 0.0173489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014576300000000 ] - [ 0.0082038700000000, 0.0000000000000000, 0.0173489200000000 ] - [ -0.0008257000000000, -0.0000670400000000, 0.0015255500000000 ] - [ 0.0000000000000000, 0.0001551000000000, 0.0008022900000000 ] - [ 0.0008257000000000, -0.0000670400000000, 0.0015255500000000 ] - [ -0.0008257000000000, 0.0000670400000000, 0.0015255500000000 ] - [ 0.0000000000000000, -0.0001551000000000, 0.0008022900000000 ] - [ 0.0008257000000000, 0.0000670400000000, 0.0015255500000000 ] - [ 0.0000000000000000, 0.0080039200000000, 0.0162568400000000 ] - [ 0.0000968200000000, 0.0008200400000000, 0.0005981800000000 ] - [ -0.0000968200000000, 0.0008200400000000, 0.0005981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005263100000000 ] - [ -0.0001336900000000, 0.0000000000000000, -0.0001315800000000 ] - [ 0.0001336900000000, 0.0000000000000000, -0.0001315800000000 ] - [ 0.0000000000000000, -0.0080039200000000, 0.0162568400000000 ] - [ 0.0000968200000000, -0.0008200400000000, 0.0005981800000000 ] - [ -0.0000968200000000, -0.0008200400000000, 0.0005981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0276086000000000 ] - [ -0.0010062500000000, 0.0000000000000000, 0.0015534200000000 ] - [ 0.0010062500000000, 0.0000000000000000, 0.0015534200000000 ] - [ 0.0000000000000000, -0.0049999200000000, 0.0016757700000000 ] - [ -0.0005158900000000, -0.0002825300000000, 0.0008356400000000 ] - [ 0.0005158900000000, -0.0002825300000000, 0.0008356400000000 ] - [ 0.0000000000000000, 0.0049999200000000, 0.0016757700000000 ] - [ -0.0005158900000000, 0.0002825300000000, 0.0008356400000000 ] - [ 0.0005158900000000, 0.0002825300000000, 0.0008356400000000 ] - [ -0.0050452600000000, -0.0032517200000000, -0.0032052300000000 ] - [ 0.0000000000000000, 0.0000082500000000, -0.0008897200000000 ] - [ 0.0050452600000000, -0.0032517200000000, -0.0032052300000000 ] - [ -0.0007510900000000, 0.0000000000000000, -0.0008772000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006662200000000 ] - [ 0.0007510900000000, 0.0000000000000000, -0.0008772000000000 ] - [ -0.0050452600000000, 0.0032517200000000, -0.0032052300000000 ] - [ 0.0000000000000000, -0.0000082500000000, -0.0008897200000000 ] - [ 0.0050452600000000, 0.0032517200000000, -0.0032052300000000 ] - [ 0.0000000000000000, -0.0007816200000000, -0.0054245200000000 ] - [ -0.0002857100000000, 0.0002809200000000, -0.0006662600000000 ] - [ 0.0002857100000000, 0.0002809200000000, -0.0006662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003462000000000 ] - [ -0.0001541400000000, 0.0000000000000000, 0.0001726500000000 ] - [ 0.0001541400000000, 0.0000000000000000, 0.0001726500000000 ] - [ 0.0000000000000000, 0.0007816200000000, -0.0054245200000000 ] - [ -0.0002857100000000, -0.0002809200000000, -0.0006662600000000 ] - [ 0.0002857100000000, -0.0002809200000000, -0.0006662600000000 ] - [ 0.0007589800000000, 0.0000000000000000, -0.0063667300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012865100000000 ] - [ -0.0007589800000000, 0.0000000000000000, -0.0063667300000000 ] - [ -0.0003048700000000, 0.0002920600000000, -0.0016016600000000 ] - [ 0.0000000000000000, 0.0001711400000000, -0.0007483700000000 ] - [ 0.0003048700000000, 0.0002920600000000, -0.0016016600000000 ] - [ -0.0003048700000000, -0.0002920600000000, -0.0016016600000000 ] - [ 0.0000000000000000, -0.0001711400000000, -0.0007483700000000 ] - [ 0.0003048700000000, -0.0002920600000000, -0.0016016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1695329600000000 ] - [ -0.0020642300000000, 0.0000000000000000, -0.0029046800000000 ] - [ 0.0020642300000000, 0.0000000000000000, -0.0029046800000000 ] - [ 0.0000000000000000, 0.0019953200000000, -0.0029163200000000 ] - [ 0.0003890500000000, -0.0003946800000000, -0.0008463800000000 ] - [ -0.0003890500000000, -0.0003946800000000, -0.0008463800000000 ] - [ 0.0000000000000000, -0.0019953200000000, -0.0029163200000000 ] - [ 0.0003890500000000, 0.0003946800000000, -0.0008463800000000 ] - [ -0.0003890500000000, 0.0003946800000000, -0.0008463800000000 ] - [ -0.0332409400000000, 0.0000000000000000, 0.0159540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003160200000000 ] - [ 0.0332409400000000, 0.0000000000000000, 0.0159540500000000 ] - [ 0.0000033200000000, -0.0026721900000000, -0.0003750300000000 ] - [ 0.0000000000000000, -0.0004683300000000, 0.0000089000000000 ] - [ -0.0000033200000000, -0.0026721900000000, -0.0003750300000000 ] - [ 0.0000033200000000, 0.0026721900000000, -0.0003750300000000 ] - [ 0.0000000000000000, 0.0004683300000000, 0.0000089000000000 ] - [ -0.0000033200000000, 0.0026721900000000, -0.0003750300000000 ] - [ 0.0008849500000000, -0.0009044600000000, 0.0063079100000000 ] - [ 0.0000000000000000, -0.0003692300000000, 0.0010035900000000 ] - [ -0.0008849500000000, -0.0009044600000000, 0.0063079100000000 ] - [ 0.0003760000000000, 0.0000000000000000, 0.0009919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004555500000000 ] - [ -0.0003760000000000, 0.0000000000000000, 0.0009919800000000 ] - [ 0.0008849500000000, 0.0009044600000000, 0.0063079100000000 ] - [ 0.0000000000000000, 0.0003692300000000, 0.0010035900000000 ] - [ -0.0008849500000000, 0.0009044600000000, 0.0063079100000000 ] - [ 0.0000000000000000, 0.0335796100000000, 0.0161249200000000 ] - [ 0.0026739100000000, -0.0000063600000000, -0.0003994800000000 ] - [ -0.0026739100000000, -0.0000063600000000, -0.0003994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983800000000 ] - [ 0.0004565100000000, 0.0000000000000000, -0.0000016600000000 ] - [ -0.0004565100000000, 0.0000000000000000, -0.0000016600000000 ] - [ 0.0000000000000000, -0.0335796100000000, 0.0161249200000000 ] - [ 0.0026739100000000, 0.0000063600000000, -0.0003994800000000 ] - [ -0.0026739100000000, 0.0000063600000000, -0.0003994800000000 ]