# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ceab3b4a-43a7-4bb3-8d23-e1d20041438a/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 Ga2O3 / R-3c (167) / materials id 1243](https://mdr.nims.go.jp/datasets/ae7caf2a-f966-4e26-a27b-f932972308c3) ## 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: "R-3c" number: 167 Hall_symbol: "-R 3 2\"c"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.502494220000003, 1.444815713333332, 4.485956269999996 ] # a - [ -2.502494219999997, 1.444815713333332, 4.485956269999996 ] # b - [ 0.000000000000003, -2.889631426666668, 4.485956269999996 ] # c points: - symbol: O # 1 coordinates: [ 0.052820980000000, 0.750000000000001, 0.447179030000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.750000000000000, 0.447179030000001, 0.052820980000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.447179030000000, 0.052820980000001, 0.750000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.947179020000000, 0.250000000000002, 0.552820970000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.552820970000000, 0.947179020000002, 0.250000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.250000000000000, 0.552820970000002, 0.947179020000000 ] mass: 15.999400 - symbol: Ga # 7 coordinates: [ 0.855907250000000, 0.855907260000002, 0.855907250000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.644092750000000, 0.644092750000002, 0.644092750000000 ] mass: 69.723000 - symbol: Ga # 9 coordinates: [ 0.144092750000000, 0.144092740000001, 0.144092750000000 ] mass: 69.723000 - symbol: Ga # 10 coordinates: [ 0.355907250000000, 0.355907250000001, 0.355907250000000 ] mass: 69.723000 reciprocal_lattice: # without 2pi - [ 0.199800661277851, 0.115354965431647, 0.074305970292781 ] # a* - [ -0.199800661277851, 0.115354965431647, 0.074305970292781 ] # b* - [ 0.000000000000000, -0.230709930863293, 0.074305970292781 ] # c*unit_cell: lattice: - [ 5.004988440000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.502494220000000, 4.334447140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.457868810000001 ] # c points: - symbol: O # 1 coordinates: [ 0.636154310000000, 0.969487640000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.333333330000000, 0.363845690000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.030512360000000, 0.666666670000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.363845690000000, 0.030512360000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.969487640000000, 0.333333330000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.666666670000000, 0.636154310000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.302820970000000, 0.302820970000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.697179030000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.697179030000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.030512360000000, 0.363845690000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.636154310000000, 0.666666670000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.333333330000000, 0.969487640000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.969487640000000, 0.636154310000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.666666670000000, 0.030512360000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.363845690000000, 0.333333330000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.697179030000000, 0.697179030000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.302820970000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.302820970000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: Ga # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.522573920000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.644092750000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.477426080000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.355907250000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.855907250000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.977426080000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 25 coordinates: [ 0.333333330000000, 0.666666670000000, 0.810759410000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.689240590000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.189240590000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.310759410000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.144092750000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.022573920000000 ] mass: 69.723000 reduced_to: 22supercell: lattice: - [ 10.009976880000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.004988440000000, 8.668894280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.457868810000001 ] # c points: - symbol: O # 1 coordinates: [ 0.318077155000000, 0.484743820000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.818077155000000, 0.484743820000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.318077155000000, 0.984743820000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.818077155000000, 0.984743820000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.166666665000000, 0.181922845000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.666666665000000, 0.181922845000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.166666665000000, 0.681922845000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.666666665000000, 0.681922845000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.015256180000000, 0.333333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.515256180000000, 0.333333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.015256180000000, 0.833333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.515256180000000, 0.833333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.181922845000000, 0.015256180000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.681922845000000, 0.015256180000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.181922845000000, 0.515256180000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.681922845000000, 0.515256180000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.484743820000000, 0.166666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.984743820000000, 0.166666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.484743820000000, 0.666666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.984743820000000, 0.666666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.333333335000000, 0.318077155000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.833333335000000, 0.318077155000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.333333335000000, 0.818077155000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.833333335000000, 0.818077155000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.151410485000000, 0.151410485000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.651410485000000, 0.151410485000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.151410485000000, 0.651410485000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.651410485000000, 0.651410485000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.000000000000000, 0.348589515000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.500000000000000, 0.348589515000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.848589515000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.500000000000000, 0.848589515000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.348589515000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.848589515000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.348589515000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.848589515000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.015256180000000, 0.181922845000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.515256180000000, 0.181922845000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.015256180000000, 0.681922845000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.515256180000000, 0.681922845000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.318077155000000, 0.333333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.818077155000000, 0.333333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.318077155000000, 0.833333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.818077155000000, 0.833333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.166666665000000, 0.484743820000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.666666665000000, 0.484743820000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.166666665000000, 0.984743820000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.666666665000000, 0.984743820000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.484743820000000, 0.318077155000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.984743820000000, 0.318077155000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.484743820000000, 0.818077155000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.984743820000000, 0.818077155000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.333333335000000, 0.015256180000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.833333335000000, 0.015256180000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.333333335000000, 0.515256180000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 56 coordinates: [ 0.833333335000000, 0.515256180000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 57 coordinates: [ 0.181922845000000, 0.166666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.681922845000000, 0.166666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.181922845000000, 0.666666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 60 coordinates: [ 0.681922845000000, 0.666666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 61 coordinates: [ 0.348589515000000, 0.348589515000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.848589515000000, 0.348589515000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.348589515000000, 0.848589515000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.848589515000000, 0.848589515000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.151410485000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.651410485000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.151410485000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 68 coordinates: [ 0.651410485000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.151410485000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.151410485000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.651410485000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.651410485000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: Ga # 73 coordinates: [ 0.166666665000000, 0.333333335000000, 0.522573920000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 74 coordinates: [ 0.666666665000000, 0.333333335000000, 0.522573920000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 75 coordinates: [ 0.166666665000000, 0.833333335000000, 0.522573920000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 76 coordinates: [ 0.666666665000000, 0.833333335000000, 0.522573920000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.644092750000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.644092750000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.644092750000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.644092750000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 81 coordinates: [ 0.333333335000000, 0.166666665000000, 0.477426080000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 82 coordinates: [ 0.833333335000000, 0.166666665000000, 0.477426080000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 83 coordinates: [ 0.333333335000000, 0.666666665000000, 0.477426080000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 84 coordinates: [ 0.833333335000000, 0.666666665000000, 0.477426080000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.355907250000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.355907250000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.355907250000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.355907250000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.855907250000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.855907250000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.855907250000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.855907250000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 93 coordinates: [ 0.333333335000000, 0.166666665000000, 0.977426080000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 94 coordinates: [ 0.833333335000000, 0.166666665000000, 0.977426080000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 95 coordinates: [ 0.333333335000000, 0.666666665000000, 0.977426080000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 96 coordinates: [ 0.833333335000000, 0.666666665000000, 0.977426080000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 97 coordinates: [ 0.166666665000000, 0.333333335000000, 0.810759410000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 98 coordinates: [ 0.666666665000000, 0.333333335000000, 0.810759410000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 99 coordinates: [ 0.166666665000000, 0.833333335000000, 0.810759410000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 100 coordinates: [ 0.666666665000000, 0.833333335000000, 0.810759410000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 101 coordinates: [ 0.333333335000000, 0.166666665000000, 0.689240590000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 102 coordinates: [ 0.833333335000000, 0.166666665000000, 0.689240590000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 103 coordinates: [ 0.333333335000000, 0.666666665000000, 0.689240590000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 104 coordinates: [ 0.833333335000000, 0.666666665000000, 0.689240590000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 105 coordinates: [ 0.333333335000000, 0.166666665000000, 0.189240590000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 106 coordinates: [ 0.833333335000000, 0.166666665000000, 0.189240590000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 107 coordinates: [ 0.333333335000000, 0.666666665000000, 0.189240590000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 108 coordinates: [ 0.833333335000000, 0.666666665000000, 0.189240590000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 109 coordinates: [ 0.166666665000000, 0.333333335000000, 0.310759410000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 110 coordinates: [ 0.666666665000000, 0.333333335000000, 0.310759410000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 111 coordinates: [ 0.166666665000000, 0.833333335000000, 0.310759410000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 112 coordinates: [ 0.666666665000000, 0.833333335000000, 0.310759410000000 ] mass: 69.723000 reduced_to: 77 - symbol: Ga # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.144092750000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.144092750000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.144092750000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.144092750000000 ] mass: 69.723000 reduced_to: 81 - symbol: Ga # 117 coordinates: [ 0.166666665000000, 0.333333335000000, 0.022573920000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 118 coordinates: [ 0.666666665000000, 0.333333335000000, 0.022573920000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 119 coordinates: [ 0.166666665000000, 0.833333335000000, 0.022573920000000 ] mass: 69.723000 reduced_to: 85 - symbol: Ga # 120 coordinates: [ 0.666666665000000, 0.833333335000000, 0.022573920000000 ] mass: 69.723000 reduced_to: 85born_effective_charge:- # 1 (O) - [ -2.141397550000000, -0.094156060000000, 0.318861960000000 ] - [ -0.094156060000000, -2.250119600000000, -0.184095040000000 ] - [ 0.469753170000000, -0.271212120000000, -2.164328460000000 ]- # 2 (O) - [ -2.141397547619749, 0.094156058856567, -0.318861961546120 ] - [ 0.094156058394954, -2.250119602380252, -0.184095037322041 ] - [ -0.469753170446355, -0.271212119226890, -2.164328460000000 ]- # 3 (O) - [ -2.304480627380252, 0.000000001489642, 0.000000001546120 ] - [ 0.000000001258836, -2.087036522619749, 0.368190077322041 ] - [ 0.000000000446355, 0.542424239226890, -2.164328460000000 ]- # 4 (O) - [ -2.141397550000000, -0.094156060000000, 0.318861960000000 ] - [ -0.094156060000000, -2.250119600000000, -0.184095040000000 ] - [ 0.469753170000000, -0.271212120000000, -2.164328460000000 ]- # 5 (O) - [ -2.304480627380252, 0.000000001489642, 0.000000001546120 ] - [ 0.000000001258836, -2.087036522619749, 0.368190077322041 ] - [ 0.000000000446355, 0.542424239226890, -2.164328460000000 ]- # 6 (O) - [ -2.141397547619749, 0.094156058856567, -0.318861961546120 ] - [ 0.094156058394954, -2.250119602380252, -0.184095037322041 ] - [ -0.469753170446355, -0.271212119226890, -2.164328460000000 ]- # 7 (Ga) - [ 3.293637860000000, 0.047372770000000, 0.000000000000000 ] - [ -0.047372770000000, 3.293637860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.246492690000000 ]- # 8 (Ga) - [ 3.293637860050284, -0.047372770087094, 0.000000000000000 ] - [ 0.047372769912905, 3.293637859949717, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.246492690000000 ]- # 9 (Ga) - [ 3.293637860000001, 0.047372770000000, 0.000000000000000 ] - [ -0.047372770000000, 3.293637860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.246492690000000 ]- # 10 (Ga) - [ 3.293637860050284, -0.047372770087094, 0.000000000000000 ] - [ 0.047372769912905, 3.293637859949717, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.246492690000000 ]dielectric_constant: - [ 4.433834510000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.433834510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.454246300000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1559016000000000, 0.0074282100000000, 0.0455067400000000 ] - [ 0.0040715500000000, 0.0004393100000000, -0.0002072500000000 ] - [ -0.0003182800000000, -0.0020977600000000, 0.0001869300000000 ] - [ -0.0000284500000000, 0.0035994200000000, 0.0006244900000000 ] - [ -0.0051330200000000, 0.0000571800000000, 0.0007788900000000 ] - [ 0.0046513100000000, -0.0002396800000000, 0.0008544600000000 ] - [ 0.0101348400000000, -0.0087387300000000, 0.0013239900000000 ] - [ 0.0102402600000000, 0.0093789200000000, 0.0021918700000000 ] - [ 0.0230425100000000, 0.0162196300000000, -0.0008069600000000 ] - [ 0.0126174100000000, -0.0080272800000000, 0.0015700800000000 ] - [ 0.0031507800000000, -0.0006494100000000, 0.0002917000000000 ] - [ -0.0031675500000000, 0.0010634100000000, 0.0004273000000000 ] - [ -0.0002300500000000, -0.0006880300000000, -0.0002291100000000 ] - [ 0.0000562000000000, 0.0004594700000000, 0.0002410600000000 ] - [ 0.0082931600000000, -0.0034954200000000, -0.0167629300000000 ] - [ 0.0010607900000000, 0.0002133100000000, 0.0014177700000000 ] - [ 0.0007638300000000, -0.0012271500000000, 0.0012556000000000 ] - [ -0.0003716400000000, 0.0020972800000000, -0.0013645300000000 ] - [ -0.0026348000000000, 0.0022091800000000, 0.0048298100000000 ] - [ 0.0023975200000000, -0.0003950900000000, -0.0003972300000000 ] - [ -0.0013875200000000, -0.0029212700000000, 0.0045587600000000 ] - [ 0.0019393600000000, 0.0005559000000000, -0.0009488300000000 ] - [ -0.0009141500000000, -0.0017724000000000, -0.0008401100000000 ] - [ 0.0009061000000000, 0.0012750600000000, 0.0014500400000000 ] - [ -0.0005001300000000, -0.0000540400000000, 0.0000900700000000 ] - [ 0.0005330100000000, 0.0004133600000000, -0.0002065500000000 ] - [ 0.0011229800000000, -0.0012578800000000, -0.0022472900000000 ] - [ 0.0000180500000000, 0.0002190900000000, 0.0003114000000000 ] - [ 0.0002469000000000, 0.0006605200000000, -0.0015869100000000 ] - [ 0.0002399300000000, -0.0000266000000000, 0.0003933000000000 ] - [ 0.0004615800000000, -0.0004416400000000, -0.0000118300000000 ] - [ -0.0003960200000000, 0.0000586300000000, -0.0000147900000000 ] - [ -0.0001797200000000, -0.0004412200000000, -0.0000388100000000 ] - [ -0.0001865300000000, 0.0005255900000000, -0.0003256400000000 ] - [ -0.0016494400000000, 0.0000718200000000, -0.0005510100000000 ] - [ 0.0006220400000000, 0.0000450200000000, -0.0002565800000000 ] - [ -0.0003524800000000, 0.0000851900000000, -0.0002494900000000 ] - [ 0.0001265400000000, -0.0003653900000000, -0.0003875800000000 ] - [ 0.0003159800000000, -0.0002681500000000, -0.0004296200000000 ] - [ -0.0001732100000000, -0.0001937700000000, -0.0003823700000000 ] - [ -0.0000362800000000, 0.0001460000000000, -0.0004809000000000 ] - [ 0.0005013900000000, 0.0001107300000000, -0.0002878600000000 ] - [ -0.0001140700000000, -0.0003313800000000, -0.0002612300000000 ] - [ 0.0002982500000000, 0.0002288400000000, -0.0003251200000000 ] - [ -0.0005977600000000, 0.0001729800000000, -0.0005648600000000 ] - [ 0.0002106900000000, 0.0001731700000000, -0.0002742800000000 ] - [ -0.0000863200000000, -0.0000098500000000, -0.0002884700000000 ] - [ -0.0000750000000000, 0.0002443500000000, -0.0002402900000000 ] - [ 0.0011396000000000, -0.0001775700000000, -0.0015530400000000 ] - [ 0.0000212600000000, 0.0009640700000000, 0.0008110600000000 ] - [ -0.0004821700000000, 0.0006849100000000, -0.0008478100000000 ] - [ 0.0005321000000000, -0.0001561200000000, -0.0002000700000000 ] - [ 0.0000490900000000, -0.0006722300000000, -0.0002640400000000 ] - [ 0.0000401900000000, 0.0002741700000000, -0.0001213000000000 ] - [ -0.0015610800000000, -0.0001641700000000, -0.0011478800000000 ] - [ 0.0008808800000000, -0.0001916200000000, 0.0000417800000000 ] - [ -0.0009789500000000, -0.0006632200000000, -0.0010598800000000 ] - [ 0.0002680400000000, 0.0003227600000000, -0.0001734500000000 ] - [ -0.0003749000000000, -0.0010209900000000, 0.0011621100000000 ] - [ 0.0005422700000000, 0.0004765900000000, -0.0011794000000000 ] - [ 0.0006358800000000, -0.0078847200000000, -0.0107764000000000 ] - [ 0.0018124000000000, 0.0005125700000000, 0.0009943400000000 ] - [ -0.0013575900000000, -0.0011589000000000, 0.0007744600000000 ] - [ 0.0011968600000000, 0.0011251300000000, -0.0006219800000000 ] - [ 0.0000157400000000, -0.0008246500000000, 0.0005555500000000 ] - [ 0.0002067200000000, 0.0008316600000000, -0.0000235100000000 ] - [ 0.0048617100000000, -0.0021178800000000, 0.0108114500000000 ] - [ 0.0025913700000000, 0.0003519300000000, -0.0015888700000000 ] - [ -0.0008825100000000, 0.0016984400000000, 0.0010509800000000 ] - [ 0.0009263300000000, -0.0012427800000000, -0.0005011100000000 ] - [ 0.0019523900000000, -0.0002887600000000, 0.0010486900000000 ] - [ -0.0013421400000000, 0.0057176600000000, -0.0086219100000000 ] - [ 0.0129908600000000, -0.0031685600000000, -0.0012704600000000 ] - [ -0.0051915600000000, 0.0001385000000000, -0.0035072800000000 ] - [ -0.0016817600000000, 0.0033347100000000, 0.0016249800000000 ] - [ 0.0012774600000000, -0.0039225600000000, -0.0027267700000000 ] - [ 0.0003492200000000, -0.0012405100000000, 0.0002785800000000 ] - [ 0.0000032200000000, 0.0009588600000000, 0.0001970100000000 ] - [ -0.0052940700000000, -0.0002026900000000, 0.0026758600000000 ] - [ 0.0001384500000000, -0.0000254300000000, -0.0028467200000000 ] - [ 0.0025205500000000, 0.0057752000000000, -0.0018133000000000 ] - [ -0.0035123300000000, -0.0066121200000000, 0.0029852700000000 ] - [ 0.0236892300000000, -0.0170128800000000, -0.0092660900000000 ] - [ -0.0061401300000000, 0.0002498700000000, -0.0024554200000000 ] - [ -0.0003767700000000, -0.0013608600000000, -0.0007944200000000 ] - [ 0.0004265700000000, 0.0006259600000000, -0.0005860600000000 ] - [ -0.0079670700000000, 0.0015724500000000, -0.0039794100000000 ] - [ 0.0544611900000000, 0.0040551700000000, -0.0175899700000000 ] - [ 0.0000706600000000, -0.0000809400000000, 0.0002945500000000 ] - [ 0.0000344400000000, 0.0001325500000000, 0.0002795400000000 ] - [ -0.0004669200000000, -0.0001579300000000, 0.0010024000000000 ] - [ 0.0003828100000000, -0.0000199200000000, 0.0003292600000000 ] - [ 0.0000004700000000, 0.0003838700000000, 0.0010367200000000 ] - [ -0.0001987000000000, -0.0004455700000000, 0.0003673500000000 ] - [ 0.0008873100000000, -0.0000153000000000, 0.0007704600000000 ] - [ -0.0007186300000000, -0.0000061600000000, 0.0007642300000000 ] - [ 0.0009379500000000, -0.0003677700000000, 0.0012262300000000 ] - [ -0.0006274300000000, -0.0000755000000000, 0.0005796600000000 ] - [ -0.0004293100000000, 0.0010114300000000, 0.0009161600000000 ] - [ 0.0000830100000000, -0.0003295700000000, 0.0004519900000000 ] - [ -0.0000828300000000, 0.0009823900000000, -0.0010570500000000 ] - [ -0.0006813100000000, -0.0012240500000000, 0.0004443400000000 ] - [ 0.0039142900000000, 0.0030431700000000, 0.0019056900000000 ] - [ -0.0013810400000000, -0.0000769700000000, -0.0006489200000000 ] - [ -0.0013857500000000, 0.0037222000000000, 0.0012920500000000 ] - [ -0.0004736400000000, -0.0014218600000000, -0.0009423500000000 ] - [ 0.0059976500000000, 0.0018667000000000, -0.0006183200000000 ] - [ -0.0023615500000000, -0.0004635300000000, 0.0002672500000000 ] - [ 0.0164930700000000, 0.0012426600000000, 0.0009377300000000 ] - [ -0.0054312400000000, 0.0003016700000000, 0.0024599200000000 ] - [ -0.0013257200000000, 0.0035332600000000, -0.0025512500000000 ] - [ 0.0002760600000000, -0.0054038200000000, 0.0005353400000000 ] - [ 0.0002966400000000, -0.0002985700000000, -0.0000197300000000 ] - [ 0.0001007100000000, 0.0002955500000000, 0.0002140400000000 ] - [ -0.0024893700000000, -0.0000623700000000, -0.0024488700000000 ] - [ -0.0012428700000000, -0.0001426500000000, 0.0038942900000000 ] - [ 0.0011269800000000, -0.0000863900000000, 0.0003986000000000 ] - [ -0.0009338400000000, -0.0000518400000000, 0.0003757100000000 ] - [ -0.0002816800000000, 0.0006983400000000, 0.0000257300000000 ] - [ -0.0000657400000000, -0.0005538800000000, 0.0006858600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1527428500000000, -0.0074818100000000, -0.0435974400000000 ] - [ -0.0039231300000000, -0.0001061200000000, 0.0002358600000000 ] - [ 0.0004588900000000, 0.0024273900000000, -0.0001614700000000 ] - [ 0.0001723600000000, -0.0032740200000000, -0.0006045500000000 ] - [ 0.0053025700000000, -0.0001949000000000, -0.0007420300000000 ] - [ -0.0044548300000000, -0.0000789000000000, -0.0008366600000000 ] - [ -0.0100060600000000, 0.0085375400000000, -0.0013021000000000 ] - [ -0.0098841300000000, -0.0095017700000000, -0.0021437000000000 ] - [ -0.0237527500000000, -0.0165677700000000, 0.0008307000000000 ] - [ -0.0127743100000000, 0.0078177800000000, -0.0015100300000000 ] - [ -0.0035008800000000, 0.0006174400000000, -0.0002664700000000 ] - [ 0.0027715500000000, -0.0011737500000000, -0.0003880700000000 ] - [ 0.0000901600000000, 0.0003609600000000, 0.0001943900000000 ] - [ -0.0002003800000000, -0.0007901100000000, -0.0002590200000000 ] - [ -0.0083970500000000, 0.0031715900000000, 0.0168274200000000 ] - [ -0.0012062600000000, -0.0005449500000000, -0.0014228100000000 ] - [ -0.0004099800000000, 0.0012796700000000, -0.0012715400000000 ] - [ 0.0007474400000000, -0.0020271200000000, 0.0013391100000000 ] - [ 0.0029358500000000, -0.0021638200000000, -0.0048687100000000 ] - [ -0.0020351700000000, 0.0004547800000000, 0.0003734700000000 ] - [ 0.0010992400000000, 0.0032370000000000, -0.0046131800000000 ] - [ -0.0021493100000000, -0.0002606100000000, 0.0009386300000000 ] - [ 0.0007047900000000, 0.0020585700000000, 0.0008001600000000 ] - [ -0.0011090700000000, -0.0009772300000000, -0.0014554600000000 ] - [ 0.0006785600000000, 0.0003835600000000, -0.0000816600000000 ] - [ -0.0003390400000000, -0.0000901300000000, 0.0002019200000000 ] - [ -0.0009466700000000, 0.0015748000000000, 0.0022561500000000 ] - [ 0.0001734500000000, 0.0000965100000000, -0.0003220700000000 ] - [ -0.0000628400000000, -0.0009931800000000, 0.0015897600000000 ] - [ -0.0000693300000000, -0.0003000600000000, -0.0004003300000000 ] - [ -0.0002892200000000, 0.0001095000000000, 0.0000105000000000 ] - [ 0.0005718000000000, -0.0003821600000000, 0.0000132300000000 ] - [ -0.0001922700000000, 0.0004308800000000, 0.0000379600000000 ] - [ -0.0001836900000000, -0.0005213500000000, 0.0003249400000000 ] - [ 0.0012795800000000, -0.0000961000000000, 0.0005562400000000 ] - [ -0.0009946200000000, -0.0000499500000000, 0.0002658800000000 ] - [ 0.0001327700000000, -0.0003780200000000, 0.0002728900000000 ] - [ -0.0003473800000000, 0.0000798600000000, 0.0004148600000000 ] - [ -0.0005399000000000, -0.0000341700000000, 0.0004543500000000 ] - [ -0.0000415800000000, -0.0000999500000000, 0.0004073400000000 ] - [ 0.0003910500000000, -0.0001822500000000, 0.0005037100000000 ] - [ -0.0001301400000000, -0.0001428900000000, 0.0003109600000000 ] - [ 0.0004717500000000, 0.0002991700000000, 0.0002812200000000 ] - [ 0.0000791400000000, -0.0002644600000000, 0.0003519600000000 ] - [ 0.0004519600000000, 0.0001575300000000, 0.0005801700000000 ] - [ -0.0003404100000000, 0.0001769200000000, 0.0003053300000000 ] - [ -0.0000564300000000, 0.0003561100000000, 0.0003129300000000 ] - [ -0.0000552100000000, 0.0001100800000000, 0.0002752000000000 ] - [ -0.0009321900000000, 0.0004794500000000, 0.0015275200000000 ] - [ 0.0001950500000000, -0.0006772700000000, -0.0008431600000000 ] - [ 0.0006928500000000, -0.0003883400000000, 0.0008211600000000 ] - [ -0.0003217200000000, 0.0004345000000000, 0.0001694100000000 ] - [ 0.0000870300000000, 0.0003335700000000, 0.0002327500000000 ] - [ 0.0000891000000000, -0.0006048600000000, 0.0000857400000000 ] - [ 0.0017065900000000, -0.0001832900000000, 0.0011236200000000 ] - [ -0.0007486300000000, -0.0001377500000000, -0.0000712500000000 ] - [ 0.0006140400000000, 0.0007000500000000, 0.0010236000000000 ] - [ -0.0006218100000000, -0.0002918200000000, 0.0001429200000000 ] - [ 0.0000131200000000, 0.0010478300000000, -0.0011830900000000 ] - [ -0.0008946600000000, -0.0004559800000000, 0.0011583100000000 ] - [ -0.0008964700000000, 0.0075011700000000, 0.0106940300000000 ] - [ -0.0019976500000000, -0.0008324300000000, -0.0010060700000000 ] - [ 0.0011697700000000, 0.0008424900000000, -0.0007700300000000 ] - [ -0.0013807600000000, -0.0014484800000000, 0.0006138300000000 ] - [ 0.0003515700000000, 0.0008287300000000, -0.0005442300000000 ] - [ 0.0001586000000000, -0.0008316600000000, 0.0000300100000000 ] - [ -0.0044819800000000, 0.0021156200000000, -0.0108592600000000 ] - [ -0.0022373400000000, -0.0003362400000000, 0.0015850600000000 ] - [ 0.0007220900000000, -0.0013526800000000, -0.0010365800000000 ] - [ -0.0010958400000000, 0.0015616300000000, 0.0004989900000000 ] - [ -0.0021341100000000, 0.0006188600000000, -0.0010586900000000 ] - [ 0.0011325100000000, -0.0053253600000000, 0.0085323300000000 ] - [ -0.0130690200000000, 0.0029400900000000, 0.0011121000000000 ] - [ 0.0051676000000000, -0.0001516600000000, 0.0030922700000000 ] - [ 0.0016741900000000, -0.0033536300000000, -0.0020169800000000 ] - [ -0.0012490700000000, 0.0038963200000000, 0.0023254200000000 ] - [ -0.0003660800000000, 0.0012174400000000, -0.0001676700000000 ] - [ -0.0000132500000000, -0.0009688200000000, -0.0000813900000000 ] - [ 0.0052563300000000, 0.0001882400000000, -0.0025617700000000 ] - [ -0.0001280000000000, 0.0000179200000000, 0.0029527900000000 ] - [ -0.0024585200000000, -0.0057265400000000, 0.0021707300000000 ] - [ 0.0035101700000000, 0.0066346900000000, -0.0026377900000000 ] - [ -0.0235730800000000, 0.0175757300000000, 0.0099436900000000 ] - [ 0.0061123000000000, -0.0002384900000000, 0.0028100100000000 ] - [ 0.0003558000000000, 0.0013342300000000, 0.0006631800000000 ] - [ -0.0004277900000000, -0.0005855000000000, 0.0004603000000000 ] - [ 0.0079767000000000, -0.0015670900000000, 0.0038929900000000 ] - [ -0.0508242400000000, -0.0036870900000000, 0.0154431800000000 ] - [ -0.0000782700000000, 0.0000586300000000, -0.0004093400000000 ] - [ -0.0000436900000000, -0.0001547700000000, -0.0003934100000000 ] - [ 0.0004580100000000, 0.0001428400000000, -0.0011190300000000 ] - [ -0.0003931600000000, 0.0000044600000000, -0.0004384200000000 ] - [ -0.0000093800000000, -0.0003925500000000, -0.0006539600000000 ] - [ 0.0001879200000000, 0.0004324400000000, 0.0000214700000000 ] - [ -0.0008913700000000, 0.0000131900000000, -0.0003944800000000 ] - [ 0.0007089900000000, -0.0000009700000000, -0.0003769500000000 ] - [ -0.0009291900000000, 0.0003783600000000, -0.0006897500000000 ] - [ 0.0006308900000000, 0.0000851900000000, -0.0000519900000000 ] - [ 0.0004372300000000, -0.0009988400000000, -0.0003911000000000 ] - [ -0.0000839800000000, 0.0003388900000000, 0.0000719100000000 ] - [ 0.0000992700000000, -0.0009924900000000, 0.0005449700000000 ] - [ 0.0006800800000000, 0.0012258300000000, -0.0009847400000000 ] - [ -0.0039116700000000, -0.0030248900000000, -0.0024143000000000 ] - [ 0.0013805600000000, 0.0000843800000000, 0.0001066900000000 ] - [ 0.0013853400000000, -0.0037411300000000, -0.0018207300000000 ] - [ 0.0004619700000000, 0.0014141100000000, 0.0004185500000000 ] - [ -0.0059889100000000, -0.0018646200000000, 0.0000784700000000 ] - [ 0.0023536100000000, 0.0004537600000000, -0.0007934800000000 ] - [ -0.0164603700000000, -0.0014707500000000, -0.0006442100000000 ] - [ 0.0054125900000000, -0.0003134800000000, -0.0019025900000000 ] - [ 0.0013196700000000, -0.0035436100000000, 0.0030884400000000 ] - [ -0.0002592800000000, 0.0053704900000000, 0.0000070300000000 ] - [ -0.0002892400000000, 0.0003149000000000, 0.0001298800000000 ] - [ -0.0000931000000000, -0.0002777300000000, -0.0000970000000000 ] - [ 0.0024871200000000, 0.0000808600000000, 0.0025591600000000 ] - [ 0.0012492600000000, 0.0001683100000000, -0.0037707600000000 ] - [ -0.0011152100000000, 0.0000920700000000, -0.0007688800000000 ] - [ 0.0009394600000000, 0.0000587900000000, -0.0007464500000000 ] - [ 0.0002908300000000, -0.0006884800000000, -0.0003971600000000 ] - [ 0.0000670500000000, 0.0005631500000000, -0.0010557900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0448826300000000, -0.0251197100000000, -0.1202727200000000 ] - [ -0.0001468300000000, -0.0001636800000000, -0.0016633600000000 ] - [ 0.0002606000000000, 0.0005194200000000, -0.0016694400000000 ] - [ 0.0006919100000000, -0.0001955900000000, -0.0015223800000000 ] - [ -0.0006569500000000, 0.0012750100000000, -0.0077783500000000 ] - [ -0.0007546400000000, 0.0000054800000000, -0.0016579200000000 ] - [ -0.0020506900000000, 0.0006197600000000, -0.0043808100000000 ] - [ -0.0012501900000000, -0.0012152200000000, -0.0043935000000000 ] - [ -0.0017326500000000, -0.0000256500000000, -0.0078123700000000 ] - [ -0.0019709000000000, 0.0014944300000000, -0.0043830100000000 ] - [ -0.0007492800000000, 0.0006223700000000, -0.0016426300000000 ] - [ 0.0000437400000000, 0.0015801800000000, -0.0043787400000000 ] - [ -0.0002838700000000, -0.0014637300000000, -0.0012037200000000 ] - [ 0.0001770500000000, 0.0006877300000000, -0.0006223600000000 ] - [ -0.0170106700000000, 0.0025703100000000, 0.0178800900000000 ] - [ 0.0013449300000000, -0.0002424300000000, -0.0011184800000000 ] - [ 0.0016846300000000, -0.0001974100000000, -0.0011375400000000 ] - [ -0.0005841600000000, -0.0013623900000000, -0.0007174000000000 ] - [ 0.0064841500000000, 0.0090039200000000, 0.0108186200000000 ] - [ -0.0012952200000000, 0.0008614600000000, -0.0008617400000000 ] - [ 0.0085356200000000, -0.0104635800000000, 0.0108167000000000 ] - [ -0.0011694000000000, -0.0007071900000000, -0.0011278900000000 ] - [ -0.0011581900000000, 0.0023130300000000, -0.0007327800000000 ] - [ 0.0003987200000000, 0.0003048500000000, -0.0008573100000000 ] - [ -0.0007562900000000, -0.0006942000000000, 0.0017162500000000 ] - [ -0.0000826000000000, 0.0003036400000000, 0.0008045700000000 ] - [ -0.0014449900000000, 0.0018841100000000, 0.0033595400000000 ] - [ 0.0009376700000000, 0.0005439600000000, 0.0016974500000000 ] - [ -0.0003020500000000, -0.0013067900000000, 0.0022634200000000 ] - [ 0.0016960100000000, 0.0001207000000000, 0.0022663700000000 ] - [ 0.0000879200000000, 0.0000099400000000, 0.0007392800000000 ] - [ 0.0000944100000000, 0.0011801300000000, 0.0019271800000000 ] - [ -0.0002798300000000, 0.0000090400000000, 0.0008905800000000 ] - [ -0.0001955100000000, -0.0002864700000000, 0.0008047700000000 ] - [ 0.0003886200000000, -0.0009898900000000, 0.0032263600000000 ] - [ -0.0004232800000000, -0.0002529000000000, 0.0008113500000000 ] - [ -0.0003738100000000, -0.0000074900000000, 0.0016916300000000 ] - [ -0.0005138500000000, 0.0001389500000000, 0.0016515400000000 ] - [ -0.0005760000000000, 0.0000573600000000, 0.0016612800000000 ] - [ -0.0005139000000000, 0.0000880400000000, 0.0019264400000000 ] - [ 0.0002554000000000, -0.0006394300000000, 0.0021692400000000 ] - [ 0.0000993300000000, -0.0003768900000000, 0.0014031000000000 ] - [ 0.0002121800000000, -0.0003470900000000, 0.0018551100000000 ] - [ 0.0002097100000000, -0.0003656200000000, 0.0014001500000000 ] - [ 0.0005022100000000, 0.0004163800000000, 0.0021677200000000 ] - [ 0.0002426100000000, 0.0003259100000000, 0.0018613100000000 ] - [ 0.0001814100000000, 0.0004281800000000, 0.0013995400000000 ] - [ 0.0002362900000000, 0.0003613100000000, 0.0014072500000000 ] - [ -0.0021370900000000, 0.0006146500000000, 0.0033241900000000 ] - [ 0.0004239100000000, 0.0012928600000000, 0.0016890800000000 ] - [ 0.0001787600000000, -0.0007562200000000, 0.0016985100000000 ] - [ -0.0001057700000000, 0.0002376500000000, 0.0007941200000000 ] - [ 0.0001788800000000, 0.0001467900000000, 0.0007993400000000 ] - [ 0.0003185700000000, -0.0000029800000000, 0.0007943500000000 ] - [ 0.0012038900000000, -0.0001786800000000, 0.0032055200000000 ] - [ 0.0000035800000000, -0.0000897700000000, 0.0008754100000000 ] - [ 0.0005924700000000, 0.0009092700000000, 0.0022435800000000 ] - [ -0.0003284300000000, -0.0000824200000000, 0.0007290700000000 ] - [ 0.0003797100000000, -0.0015008400000000, 0.0022445900000000 ] - [ -0.0013151600000000, -0.0006678600000000, 0.0019152000000000 ] - [ -0.0107478500000000, 0.0129181900000000, 0.0175989000000000 ] - [ 0.0009069400000000, 0.0006593100000000, -0.0011745600000000 ] - [ 0.0006830600000000, -0.0013397000000000, -0.0010934900000000 ] - [ -0.0007012400000000, -0.0008025600000000, -0.0006056700000000 ] - [ 0.0003852500000000, 0.0013382600000000, -0.0011072500000000 ] - [ 0.0002865900000000, -0.0005085100000000, -0.0008291400000000 ] - [ 0.0135275300000000, -0.0021425600000000, 0.0107046200000000 ] - [ -0.0022100600000000, -0.0001665200000000, -0.0006935300000000 ] - [ 0.0007389200000000, 0.0015333700000000, -0.0006869300000000 ] - [ -0.0015248600000000, 0.0010220800000000, -0.0008281600000000 ] - [ 0.0008450000000000, -0.0010139600000000, -0.0011084700000000 ] - [ -0.0046308500000000, -0.0096223400000000, 0.0106934600000000 ] - [ 0.0001496900000000, 0.0035652200000000, 0.0158059800000000 ] - [ 0.0003569500000000, 0.0000085000000000, 0.0029505700000000 ] - [ 0.0009743600000000, -0.0008390700000000, 0.0022642500000000 ] - [ -0.0029163200000000, -0.0033301500000000, 0.0046901200000000 ] - [ 0.0001614700000000, 0.0006382800000000, -0.0002952500000000 ] - [ -0.0000903300000000, -0.0009872700000000, -0.0007257500000000 ] - [ 0.0072681800000000, 0.0009797300000000, -0.0027858100000000 ] - [ -0.0050949200000000, 0.0002016400000000, -0.0047490300000000 ] - [ -0.0009156800000000, 0.0016675900000000, 0.0058636500000000 ] - [ 0.0003027800000000, 0.0001370200000000, 0.0024770100000000 ] - [ -0.0090387900000000, 0.0177316400000000, 0.0216485400000000 ] - [ 0.0007162300000000, -0.0001450600000000, 0.0032205300000000 ] - [ 0.0000348600000000, -0.0003279500000000, 0.0022092100000000 ] - [ 0.0004728000000000, -0.0005139800000000, 0.0029394300000000 ] - [ -0.0018982000000000, -0.0000292300000000, 0.0055846000000000 ] - [ -0.0191569000000000, -0.0010561700000000, 0.0212867000000000 ] - [ 0.0001014000000000, 0.0002606200000000, -0.0021601800000000 ] - [ 0.0001681400000000, -0.0004158100000000, -0.0022216300000000 ] - [ 0.0004457200000000, 0.0002133200000000, -0.0028028200000000 ] - [ -0.0004401600000000, -0.0000677400000000, -0.0032609300000000 ] - [ 0.0000252000000000, -0.0004953600000000, -0.0025569400000000 ] - [ -0.0001861300000000, -0.0002330600000000, -0.0019073200000000 ] - [ -0.0001730300000000, 0.0003982800000000, -0.0030176500000000 ] - [ 0.0004276200000000, 0.0000483300000000, -0.0019735400000000 ] - [ 0.0001059100000000, 0.0007697300000000, -0.0030922300000000 ] - [ -0.0004594000000000, 0.0002089000000000, -0.0018495500000000 ] - [ 0.0005190600000000, -0.0008974600000000, -0.0019656500000000 ] - [ -0.0003518700000000, -0.0004708200000000, -0.0022651200000000 ] - [ -0.0017455700000000, 0.0035799400000000, -0.0035784000000000 ] - [ 0.0004801400000000, 0.0006405300000000, -0.0008373500000000 ] - [ 0.0003983100000000, -0.0036883300000000, -0.0059303700000000 ] - [ -0.0002424900000000, -0.0002469400000000, -0.0008501200000000 ] - [ 0.0027689400000000, -0.0067560500000000, -0.0030911200000000 ] - [ -0.0004771100000000, -0.0004667100000000, -0.0006215000000000 ] - [ -0.0027172100000000, 0.0042769400000000, -0.0050569200000000 ] - [ 0.0007995000000000, 0.0005552100000000, -0.0010547000000000 ] - [ -0.0033787200000000, -0.0026840200000000, 0.0155776900000000 ] - [ 0.0012132400000000, -0.0004350600000000, 0.0026829100000000 ] - [ 0.0001615600000000, -0.0003144600000000, 0.0033701500000000 ] - [ 0.0014188700000000, 0.0041790700000000, 0.0050730300000000 ] - [ -0.0003034900000000, -0.0007197200000000, -0.0005228100000000 ] - [ 0.0000984600000000, 0.0003394200000000, -0.0005374000000000 ] - [ -0.0039524400000000, -0.0002636100000000, -0.0032585600000000 ] - [ 0.0033803300000000, 0.0014953900000000, -0.0056000200000000 ] - [ -0.0006023500000000, -0.0004645800000000, -0.0035345800000000 ] - [ 0.0010353700000000, 0.0000128200000000, -0.0024091500000000 ] - [ -0.0004009400000000, 0.0003003700000000, -0.0022973400000000 ] - [ 0.0002332200000000, 0.0005404000000000, -0.0026998200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0131474300000000, -0.0004098700000000, 0.0003356800000000 ] - [ -0.0051088400000000, 0.0014717600000000, 0.0003706500000000 ] - [ -0.0015995500000000, 0.0026396300000000, 0.0009916300000000 ] - [ 0.0013319200000000, -0.0046402700000000, -0.0028973400000000 ] - [ 0.0166004200000000, 0.0008555400000000, 0.0031408400000000 ] - [ -0.0053165000000000, -0.0013261400000000, -0.0011945100000000 ] - [ 0.0003653900000000, 0.0043290700000000, -0.0014161800000000 ] - [ -0.0012109600000000, -0.0025212100000000, -0.0001468100000000 ] - [ 0.0126593000000000, 0.0031904200000000, -0.0039946000000000 ] - [ -0.0074810900000000, -0.0010534800000000, 0.0043643900000000 ] - [ -0.0002426100000000, 0.0027784600000000, -0.0001763200000000 ] - [ -0.0005677900000000, -0.0026187200000000, 0.0002476200000000 ] - [ 0.0024176900000000, 0.0074597300000000, -0.0009299700000000 ] - [ -0.0035937400000000, -0.0033292200000000, 0.0002863900000000 ] - [ 0.0235685300000000, -0.0128126800000000, -0.0087511800000000 ] - [ -0.0061955500000000, -0.0033495500000000, 0.0006803500000000 ] - [ -0.0086493900000000, 0.0035694300000000, -0.0002892300000000 ] - [ 0.0265074600000000, 0.0185220400000000, -0.0104155100000000 ] - [ 0.0037879900000000, -0.0050959400000000, -0.0009944100000000 ] - [ -0.0019378600000000, 0.0020927200000000, -0.0002350500000000 ] - [ 0.0543912700000000, 0.0005676300000000, 0.0205579100000000 ] - [ -0.0080471800000000, 0.0004458100000000, 0.0018745300000000 ] - [ -0.0004689600000000, 0.0049677800000000, -0.0000439800000000 ] - [ 0.0003230000000000, -0.0038844400000000, -0.0004903000000000 ] - [ 0.0060919500000000, 0.0035250000000000, -0.0027258100000000 ] - [ -0.0022636500000000, -0.0002376000000000, 0.0007960600000000 ] - [ -0.0013012300000000, 0.0022135100000000, 0.0027845600000000 ] - [ -0.0003737200000000, -0.0015450800000000, -0.0004728700000000 ] - [ 0.0002145000000000, 0.0013550800000000, 0.0050710400000000 ] - [ -0.0051806700000000, -0.0016522100000000, -0.0072419700000000 ] - [ 0.0004466400000000, 0.0007777600000000, -0.0001705700000000 ] - [ 0.0000950800000000, -0.0010683200000000, 0.0000797900000000 ] - [ -0.0009240500000000, 0.0013908500000000, -0.0008905500000000 ] - [ -0.0004524100000000, -0.0030980300000000, 0.0044840900000000 ] - [ 0.0044829600000000, -0.0026429700000000, -0.0023584600000000 ] - [ -0.0025316900000000, 0.0003263300000000, 0.0006342200000000 ] - [ 0.0008226200000000, -0.0003447200000000, 0.0001173700000000 ] - [ -0.0007338500000000, 0.0003493500000000, -0.0004498200000000 ] - [ -0.0005439400000000, 0.0000862500000000, 0.0005226200000000 ] - [ -0.0000232500000000, -0.0006194300000000, -0.0003369000000000 ] - [ 0.0008081900000000, 0.0001816600000000, -0.0006988400000000 ] - [ -0.0005815400000000, -0.0001722600000000, 0.0005932500000000 ] - [ 0.0002577300000000, 0.0004679800000000, 0.0000629500000000 ] - [ 0.0003187900000000, -0.0006889400000000, 0.0005365800000000 ] - [ 0.0010510500000000, 0.0004368100000000, 0.0006228800000000 ] - [ -0.0010028600000000, -0.0005462300000000, -0.0010229400000000 ] - [ -0.0001337600000000, 0.0005926900000000, -0.0002215300000000 ] - [ -0.0003588100000000, 0.0000539400000000, 0.0004191500000000 ] - [ -0.0003548900000000, 0.0002664000000000, 0.0004356900000000 ] - [ 0.0004961700000000, -0.0001577700000000, -0.0004487400000000 ] - [ 0.0001810400000000, -0.0001376100000000, 0.0000919200000000 ] - [ 0.0001465200000000, 0.0005788900000000, 0.0001606800000000 ] - [ -0.0001236800000000, 0.0000539700000000, 0.0001686700000000 ] - [ 0.0000729500000000, -0.0002896400000000, -0.0000441500000000 ] - [ 0.0009570100000000, -0.0004440000000000, 0.0001546900000000 ] - [ -0.0006441300000000, 0.0001198700000000, -0.0004458000000000 ] - [ 0.0004314000000000, 0.0001582600000000, 0.0002558300000000 ] - [ -0.0006784900000000, -0.0002453400000000, -0.0002991800000000 ] - [ -0.0002023500000000, 0.0004193100000000, -0.0004257900000000 ] - [ -0.0003956400000000, -0.0002769300000000, 0.0002537600000000 ] - [ -0.0013315000000000, -0.0001065400000000, 0.0033808600000000 ] - [ -0.0025869500000000, -0.0005578000000000, -0.0039670200000000 ] - [ 0.0000048100000000, 0.0006110500000000, 0.0000983500000000 ] - [ 0.0002013200000000, -0.0008240300000000, -0.0003115000000000 ] - [ -0.0003091900000000, 0.0012223900000000, 0.0022114600000000 ] - [ -0.0002787000000000, -0.0006035400000000, -0.0003357900000000 ] - [ 0.0040052400000000, 0.0030832400000000, -0.0029818100000000 ] - [ -0.0013311100000000, -0.0007344900000000, 0.0007879000000000 ] - [ 0.0038172700000000, -0.0026561000000000, -0.0003977900000000 ] - [ -0.0014658900000000, 0.0007304400000000, 0.0002453100000000 ] - [ -0.0007692600000000, 0.0010315600000000, -0.0004732400000000 ] - [ -0.0001799200000000, -0.0011427200000000, 0.0017365900000000 ] - [ -0.1767714400000000, 0.0005940400000000, -0.0010461700000000 ] - [ 0.0108978200000000, 0.0002447500000000, 0.0003150700000000 ] - [ 0.0025883200000000, -0.0050656700000000, -0.0009086800000000 ] - [ 0.0021587700000000, 0.0048002300000000, 0.0000130400000000 ] - [ -0.0125450100000000, 0.0049563900000000, -0.0035644100000000 ] - [ 0.0030187200000000, -0.0022892800000000, 0.0000613600000000 ] - [ 0.0110628700000000, -0.0086321400000000, -0.0093449200000000 ] - [ 0.0111118800000000, 0.0185866300000000, 0.0131831500000000 ] - [ 0.0259512100000000, -0.0234706000000000, -0.0122443300000000 ] - [ 0.0270379100000000, 0.0224124100000000, 0.0051123500000000 ] - [ -0.0132455500000000, 0.0007190200000000, 0.0075981400000000 ] - [ 0.0017437400000000, 0.0000157500000000, 0.0001894400000000 ] - [ -0.0073575800000000, -0.0051520900000000, -0.0021916000000000 ] - [ 0.0016111800000000, 0.0011764100000000, -0.0000630300000000 ] - [ 0.0082815800000000, -0.0126540000000000, 0.0090916300000000 ] - [ 0.0069512100000000, 0.0046776300000000, -0.0071247600000000 ] - [ -0.0019073100000000, -0.0008891500000000, -0.0001116800000000 ] - [ 0.0009513100000000, -0.0001814500000000, -0.0000541400000000 ] - [ 0.0010116200000000, -0.0009011000000000, -0.0022128000000000 ] - [ -0.0004331100000000, 0.0016257500000000, 0.0021477100000000 ] - [ -0.0000634500000000, -0.0003834400000000, 0.0004329000000000 ] - [ -0.0000637100000000, 0.0001755400000000, -0.0000441200000000 ] - [ -0.0005483500000000, -0.0001037500000000, 0.0001843600000000 ] - [ 0.0005472900000000, 0.0003634900000000, 0.0001892700000000 ] - [ -0.0050703100000000, 0.0000064400000000, 0.0002559200000000 ] - [ 0.0040497600000000, -0.0001776500000000, 0.0009258700000000 ] - [ 0.0002894800000000, -0.0019880800000000, 0.0000416300000000 ] - [ 0.0006082100000000, 0.0021821300000000, -0.0001581900000000 ] - [ 0.0069885700000000, -0.0134527200000000, 0.0132093400000000 ] - [ 0.0083122800000000, 0.0038509200000000, -0.0086863800000000 ] - [ -0.0073881500000000, -0.0036394700000000, -0.0053009800000000 ] - [ 0.0016086900000000, 0.0011854700000000, -0.0002644300000000 ] - [ 0.0010059100000000, -0.0008087100000000, -0.0018733800000000 ] - [ -0.0004313300000000, 0.0017225200000000, 0.0017322100000000 ] - [ -0.0018983300000000, -0.0007916400000000, -0.0006622700000000 ] - [ 0.0009536800000000, 0.0001684600000000, -0.0002697100000000 ] - [ -0.0213623400000000, 0.0004348500000000, 0.0003261000000000 ] - [ 0.0056684900000000, -0.0001451400000000, -0.0007970400000000 ] - [ 0.0009670900000000, -0.0028520100000000, 0.0006141100000000 ] - [ 0.0009678900000000, 0.0025603600000000, 0.0009655200000000 ] - [ -0.0011067100000000, 0.0001609700000000, -0.0000968200000000 ] - [ 0.0006308700000000, 0.0000088100000000, 0.0000570100000000 ] - [ 0.0001054900000000, -0.0008443100000000, 0.0016147900000000 ] - [ 0.0003666800000000, 0.0007108000000000, -0.0013382300000000 ] - [ -0.0009904600000000, 0.0001951500000000, -0.0001900900000000 ] - [ 0.0010850200000000, -0.0000672800000000, 0.0000936200000000 ] - [ 0.0000609900000000, -0.0006590700000000, -0.0002932400000000 ] - [ 0.0000621300000000, 0.0005250100000000, -0.0003729400000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0129116800000000, 0.0008538600000000, -0.0004566200000000 ] - [ 0.0052558800000000, -0.0011447000000000, -0.0003403000000000 ] - [ 0.0017537500000000, -0.0023015100000000, -0.0009641200000000 ] - [ -0.0011949400000000, 0.0049865600000000, 0.0029253100000000 ] - [ -0.0163549700000000, -0.0012743600000000, -0.0032579800000000 ] - [ 0.0055310100000000, 0.0010390900000000, 0.0012304300000000 ] - [ -0.0001699000000000, -0.0046446300000000, 0.0014285900000000 ] - [ 0.0014327400000000, 0.0022203300000000, 0.0001783000000000 ] - [ -0.0139197000000000, -0.0032099700000000, 0.0031821200000000 ] - [ 0.0070906000000000, 0.0010000400000000, -0.0043044500000000 ] - [ -0.0001202200000000, -0.0028416700000000, 0.0002063900000000 ] - [ 0.0002050800000000, 0.0025784300000000, -0.0002199800000000 ] - [ -0.0025549700000000, -0.0077588500000000, 0.0009059600000000 ] - [ 0.0034289200000000, 0.0029955200000000, -0.0003198100000000 ] - [ -0.0236928700000000, 0.0129155500000000, 0.0089417300000000 ] - [ 0.0060546100000000, 0.0030035900000000, -0.0007195300000000 ] - [ 0.0090297600000000, -0.0035191300000000, 0.0002496300000000 ] - [ -0.0264827100000000, -0.0193740600000000, 0.0109173000000000 ] - [ -0.0034070400000000, 0.0051216400000000, 0.0009682000000000 ] - [ 0.0022917900000000, -0.0020472700000000, 0.0002016800000000 ] - [ -0.0508926500000000, -0.0005503300000000, -0.0185073900000000 ] - [ 0.0078912400000000, -0.0001336900000000, -0.0019292900000000 ] - [ 0.0002595100000000, -0.0046435700000000, 0.0000191700000000 ] - [ -0.0005328000000000, 0.0041697200000000, 0.0004625300000000 ] - [ -0.0058931500000000, -0.0031977600000000, 0.0027150800000000 ] - [ 0.0024528700000000, 0.0005687300000000, -0.0008094100000000 ] - [ 0.0014704400000000, -0.0018819400000000, -0.0027590900000000 ] - [ 0.0005583300000000, 0.0018654100000000, 0.0004718000000000 ] - [ -0.0000514300000000, -0.0016837200000000, -0.0050783000000000 ] - [ 0.0053701700000000, 0.0013236500000000, 0.0072546200000000 ] - [ -0.0002659700000000, -0.0011040000000000, 0.0001695100000000 ] - [ 0.0000843700000000, 0.0007415000000000, -0.0000851000000000 ] - [ 0.0005491300000000, -0.0013975700000000, 0.0008881600000000 ] - [ 0.0000797700000000, 0.0030750800000000, -0.0044601200000000 ] - [ -0.0048366000000000, 0.0026259300000000, 0.0023523500000000 ] - [ 0.0021616900000000, -0.0003434700000000, -0.0006403400000000 ] - [ -0.0010360900000000, 0.0000476700000000, -0.0000914900000000 ] - [ 0.0005184400000000, -0.0006451900000000, 0.0004690300000000 ] - [ 0.0003265900000000, -0.0003859900000000, -0.0005015900000000 ] - [ -0.0001958400000000, 0.0003239100000000, 0.0003611200000000 ] - [ -0.0004427300000000, -0.0002128000000000, 0.0007257900000000 ] - [ 0.0009450000000000, 0.0001461800000000, -0.0005794800000000 ] - [ 0.0001087300000000, -0.0004998000000000, -0.0000445300000000 ] - [ 0.0000469200000000, 0.0006584900000000, -0.0005114700000000 ] - [ -0.0011935300000000, -0.0000938300000000, -0.0005965400000000 ] - [ 0.0008678900000000, 0.0008904900000000, 0.0010458300000000 ] - [ -0.0000078100000000, -0.0002470400000000, 0.0002441800000000 ] - [ 0.0002186800000000, 0.0002855100000000, -0.0003938400000000 ] - [ 0.0005702200000000, 0.0000294200000000, -0.0004593100000000 ] - [ -0.0002821500000000, 0.0004543300000000, 0.0004261400000000 ] - [ 0.0000351600000000, 0.0004351100000000, -0.0001190100000000 ] - [ 0.0000663700000000, -0.0002839000000000, -0.0001851200000000 ] - [ 0.0002669000000000, -0.0003937900000000, -0.0001947600000000 ] - [ 0.0000643200000000, -0.0000537000000000, 0.0000213200000000 ] - [ -0.0008206700000000, 0.0001026500000000, -0.0001835600000000 ] - [ 0.0007868600000000, -0.0004582000000000, 0.0004213600000000 ] - [ -0.0007956700000000, -0.0001266300000000, -0.0002788900000000 ] - [ 0.0003172400000000, 0.0002717400000000, 0.0002808600000000 ] - [ -0.0001600400000000, -0.0003934900000000, 0.0004043500000000 ] - [ 0.0000291100000000, 0.0003071300000000, -0.0002781600000000 ] - [ 0.0011585100000000, -0.0002154400000000, -0.0033902100000000 ] - [ 0.0023926300000000, 0.0002350700000000, 0.0039623800000000 ] - [ -0.0001913000000000, -0.0009294200000000, -0.0000968800000000 ] - [ -0.0003857900000000, 0.0005026900000000, 0.0003129900000000 ] - [ 0.0006896100000000, -0.0012239100000000, -0.0022243800000000 ] - [ 0.0006488000000000, 0.0006193700000000, 0.0003357100000000 ] - [ -0.0036480600000000, -0.0030832800000000, 0.0029907700000000 ] - [ 0.0017050000000000, 0.0007387300000000, -0.0007808100000000 ] - [ -0.0040086500000000, 0.0029916500000000, 0.0004043700000000 ] - [ 0.0012943400000000, -0.0003996800000000, -0.0002347100000000 ] - [ 0.0005953900000000, -0.0007070400000000, 0.0004789800000000 ] - [ 0.0000070500000000, 0.0014807800000000, -0.0017492700000000 ] - [ 0.1739725700000000, 0.0005930400000000, -0.0009966400000000 ] - [ -0.0109331300000000, -0.0002569400000000, -0.0007036500000000 ] - [ -0.0025823600000000, 0.0050442200000000, 0.0005261300000000 ] - [ -0.0021567500000000, -0.0048060000000000, -0.0003974000000000 ] - [ 0.0125060400000000, -0.0049249000000000, 0.0036631600000000 ] - [ -0.0030298700000000, 0.0022601100000000, 0.0000579300000000 ] - [ -0.0110808800000000, 0.0087375300000000, 0.0095622100000000 ] - [ -0.0110315400000000, -0.0185422000000000, -0.0129550400000000 ] - [ -0.0256867600000000, 0.0231879800000000, 0.0124808300000000 ] - [ -0.0272831500000000, -0.0226983800000000, -0.0048252600000000 ] - [ 0.0132473700000000, -0.0008308700000000, -0.0071915500000000 ] - [ -0.0017418500000000, 0.0000167300000000, 0.0001897900000000 ] - [ 0.0073924700000000, 0.0051869400000000, 0.0020904000000000 ] - [ -0.0016029600000000, -0.0011781900000000, -0.0000622300000000 ] - [ -0.0083074500000000, 0.0127000900000000, -0.0092730600000000 ] - [ -0.0069714900000000, -0.0046144300000000, 0.0069574600000000 ] - [ 0.0018944500000000, 0.0008677400000000, -0.0000079500000000 ] - [ -0.0009610400000000, 0.0001605300000000, -0.0000566100000000 ] - [ -0.0010150000000000, 0.0008909400000000, 0.0020956800000000 ] - [ 0.0004249700000000, -0.0016448300000000, -0.0022653600000000 ] - [ 0.0000549800000000, 0.0003757800000000, -0.0000543400000000 ] - [ 0.0000567500000000, -0.0001848100000000, 0.0004247600000000 ] - [ 0.0005426500000000, 0.0000958600000000, 0.0001979900000000 ] - [ -0.0005530400000000, -0.0003700500000000, 0.0001892800000000 ] - [ 0.0050737000000000, 0.0000052600000000, 0.0002566900000000 ] - [ -0.0040517000000000, 0.0001889900000000, -0.0003810600000000 ] - [ -0.0002821200000000, 0.0019922000000000, 0.0004929700000000 ] - [ -0.0005990300000000, -0.0021656100000000, 0.0006918100000000 ] - [ -0.0069331100000000, 0.0134414800000000, -0.0136995900000000 ] - [ -0.0082762000000000, -0.0039041300000000, 0.0081814200000000 ] - [ 0.0073627300000000, 0.0036208300000000, 0.0047481400000000 ] - [ -0.0016066000000000, -0.0011675400000000, -0.0002615700000000 ] - [ -0.0010215600000000, 0.0007978300000000, 0.0013422700000000 ] - [ 0.0004266500000000, -0.0017331000000000, -0.0022690300000000 ] - [ 0.0019018700000000, 0.0007821200000000, 0.0001305600000000 ] - [ -0.0009575200000000, -0.0001759500000000, -0.0002657900000000 ] - [ 0.0214169400000000, -0.0004387100000000, 0.0003251900000000 ] - [ -0.0056607500000000, 0.0001397200000000, 0.0013033700000000 ] - [ -0.0009772700000000, 0.0028510500000000, -0.0000864600000000 ] - [ -0.0009781200000000, -0.0025744500000000, -0.0004400300000000 ] - [ 0.0011184500000000, -0.0001435500000000, 0.0002141600000000 ] - [ -0.0006229700000000, 0.0000079600000000, 0.0000583400000000 ] - [ -0.0000967900000000, 0.0008631800000000, -0.0014977700000000 ] - [ -0.0003640400000000, -0.0006922700000000, 0.0014614700000000 ] - [ 0.0009999500000000, -0.0001874100000000, -0.0001907900000000 ] - [ -0.0010797600000000, 0.0000756000000000, -0.0004738200000000 ] - [ -0.0000547500000000, 0.0006657600000000, -0.0000858800000000 ] - [ -0.0000544800000000, -0.0005153800000000, -0.0000094100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008895300000000, -0.0010809800000000, 0.0153056100000000 ] - [ -0.0032226400000000, 0.0015243800000000, 0.0031350900000000 ] - [ 0.0018932800000000, -0.0013012900000000, 0.0024497600000000 ] - [ -0.0024481100000000, -0.0015935200000000, 0.0048510500000000 ] - [ -0.0004913900000000, 0.0013108400000000, 0.0153056100000000 ] - [ -0.0020735900000000, -0.0009889800000000, 0.0024497600000000 ] - [ -0.0001559700000000, 0.0029168900000000, 0.0048510500000000 ] - [ 0.0029314700000000, 0.0020287000000000, 0.0031350900000000 ] - [ 0.0013809200000000, -0.0002298600000000, 0.0153056100000000 ] - [ 0.0026040900000000, -0.0013233700000000, 0.0048510500000000 ] - [ 0.0002911700000000, -0.0035530700000000, 0.0031350900000000 ] - [ 0.0001803100000000, 0.0022902700000000, 0.0024497600000000 ] - [ -0.0020686300000000, 0.0032268200000000, 0.0056520600000000 ] - [ 0.0027316300000000, 0.0022945400000000, 0.0022642400000000 ] - [ -0.0098187300000000, 0.0136119300000000, 0.0214420800000000 ] - [ -0.0026985300000000, -0.0010787300000000, 0.0030081700000000 ] - [ -0.0033529500000000, 0.0012183900000000, 0.0022642400000000 ] - [ -0.0068789100000000, -0.0153092400000000, 0.0214420800000000 ] - [ -0.0017601900000000, -0.0034048900000000, 0.0056520600000000 ] - [ 0.0022834700000000, -0.0017976300000000, 0.0030081700000000 ] - [ 0.0166976500000000, 0.0016973100000000, 0.0214420800000000 ] - [ 0.0038288200000000, 0.0001780800000000, 0.0056520600000000 ] - [ 0.0006213100000000, -0.0035129300000000, 0.0022642400000000 ] - [ 0.0004150600000000, 0.0028763600000000, 0.0030081700000000 ] - [ -0.0002623400000000, 0.0033273600000000, -0.0048099200000000 ] - [ 0.0006259600000000, 0.0003090600000000, -0.0007767400000000 ] - [ 0.0016415200000000, -0.0019696000000000, -0.0028179200000000 ] - [ -0.0005893900000000, -0.0004937400000000, -0.0003563600000000 ] - [ 0.0030127500000000, -0.0014364900000000, -0.0048099200000000 ] - [ -0.0025264900000000, -0.0004368000000000, -0.0028179200000000 ] - [ -0.0001328900000000, 0.0007572900000000, -0.0003563600000000 ] - [ -0.0000453200000000, -0.0006966300000000, -0.0007767400000000 ] - [ -0.0005806400000000, 0.0003875600000000, -0.0007767400000000 ] - [ 0.0008849600000000, 0.0024064000000000, -0.0028179200000000 ] - [ -0.0027504100000000, -0.0018908700000000, -0.0048099200000000 ] - [ 0.0007222800000000, -0.0002635600000000, -0.0003563600000000 ] - [ 0.0008514200000000, -0.0002625100000000, -0.0033481200000000 ] - [ 0.0002088500000000, -0.0002078900000000, -0.0021040200000000 ] - [ 0.0005464700000000, -0.0004150800000000, -0.0022097600000000 ] - [ 0.0000839000000000, -0.0010420300000000, -0.0025102600000000 ] - [ -0.0001983700000000, 0.0008686000000000, -0.0033481200000000 ] - [ 0.0008604700000000, 0.0005936800000000, -0.0025102600000000 ] - [ 0.0000756100000000, 0.0002848100000000, -0.0021040200000000 ] - [ 0.0000862300000000, 0.0006808000000000, -0.0022097600000000 ] - [ -0.0006530500000000, -0.0006060900000000, -0.0033481200000000 ] - [ -0.0006327000000000, -0.0002657200000000, -0.0022097600000000 ] - [ -0.0009443800000000, 0.0004483500000000, -0.0025102600000000 ] - [ -0.0002844600000000, -0.0000769200000000, -0.0021040200000000 ] - [ 0.0011675200000000, -0.0002146800000000, -0.0027636200000000 ] - [ 0.0004948200000000, -0.0003047700000000, -0.0032228800000000 ] - [ 0.0004597300000000, 0.0001552300000000, -0.0021133600000000 ] - [ 0.0004432800000000, -0.0003152000000000, -0.0021797200000000 ] - [ -0.0000954300000000, -0.0004757500000000, -0.0021133600000000 ] - [ -0.0007696800000000, -0.0009037700000000, -0.0027636200000000 ] - [ -0.0005113500000000, -0.0002761400000000, -0.0032228800000000 ] - [ -0.0004946100000000, -0.0002262900000000, -0.0021797200000000 ] - [ 0.0000165300000000, 0.0005809200000000, -0.0032228800000000 ] - [ -0.0003643000000000, 0.0003205200000000, -0.0021133600000000 ] - [ -0.0003978500000000, 0.0011184400000000, -0.0027636200000000 ] - [ 0.0000513300000000, 0.0005414900000000, -0.0021797200000000 ] - [ 0.0037300500000000, -0.0004431900000000, -0.0056526000000000 ] - [ -0.0025970900000000, -0.0006785100000000, -0.0033222600000000 ] - [ 0.0000652200000000, 0.0003619500000000, -0.0005926800000000 ] - [ -0.0001649400000000, -0.0010292200000000, -0.0005733100000000 ] - [ 0.0018861500000000, -0.0019098900000000, -0.0033222600000000 ] - [ -0.0003460700000000, -0.0001244900000000, -0.0005926800000000 ] - [ -0.0014812100000000, 0.0034519100000000, -0.0056526000000000 ] - [ 0.0009738100000000, 0.0003717700000000, -0.0005733100000000 ] - [ -0.0022488400000000, -0.0030087200000000, -0.0056526000000000 ] - [ 0.0002808500000000, -0.0002374600000000, -0.0005926800000000 ] - [ -0.0008088600000000, 0.0006574600000000, -0.0005733100000000 ] - [ 0.0007109300000000, 0.0025884000000000, -0.0033222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1360185800000000 ] - [ 0.0005086700000000, 0.0005301000000000, -0.0082147300000000 ] - [ -0.0007134100000000, 0.0001754800000000, -0.0082147300000000 ] - [ 0.0002047400000000, -0.0007055700000000, -0.0082147300000000 ] - [ 0.0035965200000000, -0.0130211100000000, 0.0029505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000099500000000 ] - [ -0.0130748800000000, 0.0033958800000000, 0.0029505000000000 ] - [ 0.0094783500000000, 0.0096252400000000, 0.0029505000000000 ] - [ -0.0123821800000000, -0.0013834500000000, -0.0211236200000000 ] - [ 0.0049929900000000, 0.0114150000000000, -0.0211236200000000 ] - [ 0.0073891900000000, -0.0100315500000000, -0.0211236200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071191900000000 ] - [ 0.0050310900000000, 0.0126194800000000, 0.0044917000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006116200000000 ] - [ 0.0084132500000000, -0.0106667900000000, 0.0044917000000000 ] - [ -0.0134443300000000, -0.0019526900000000, 0.0044917000000000 ] - [ -0.0004037200000000, -0.0020928700000000, 0.0043663500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024380700000000 ] - [ -0.0016106200000000, 0.0013960600000000, 0.0043663500000000 ] - [ 0.0020143400000000, 0.0006968100000000, 0.0043663500000000 ] - [ 0.0002389500000000, -0.0001467000000000, 0.0042326600000000 ] - [ -0.0002465200000000, -0.0001335900000000, 0.0042326600000000 ] - [ 0.0000075700000000, 0.0002802900000000, 0.0042326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0114560100000000 ] - [ 0.0006484300000000, -0.0001149800000000, 0.0029355800000000 ] - [ -0.0002246400000000, 0.0006190400000000, 0.0029355800000000 ] - [ -0.0004237900000000, -0.0005040600000000, 0.0029355800000000 ] - [ 0.0070683200000000, -0.0065295200000000, 0.0042676200000000 ] - [ -0.0091888900000000, -0.0028565900000000, 0.0042676200000000 ] - [ 0.0021205700000000, 0.0093861000000000, 0.0042676200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008311800000000 ] - [ -0.0021513200000000, 0.0012988500000000, 0.0041558300000000 ] - [ 0.0022005000000000, 0.0012136700000000, 0.0041558300000000 ] - [ -0.0000491800000000, -0.0025125200000000, 0.0041558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0442810600000000 ] - [ 0.0010537400000000, 0.0002027100000000, -0.0001037400000000 ] - [ -0.0007024200000000, 0.0008112100000000, -0.0001037400000000 ] - [ -0.0003513200000000, -0.0010139200000000, -0.0001037400000000 ] - [ -0.0001516800000000, 0.0017041200000000, 0.0044605500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024403100000000 ] - [ 0.0015516600000000, -0.0007207000000000, 0.0044605500000000 ] - [ -0.0013999700000000, -0.0009834200000000, 0.0044605500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047306400000000 ] - [ -0.0002841200000000, -0.0000443900000000, 0.0033291800000000 ] - [ 0.0001805000000000, -0.0002238600000000, 0.0033291800000000 ] - [ 0.0001036200000000, 0.0002682500000000, 0.0033291800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014908400000000, 0.0021187200000000, -0.0159977800000000 ] - [ 0.0033709300000000, -0.0011889800000000, -0.0031159700000000 ] - [ -0.0017486100000000, 0.0016301900000000, -0.0024326100000000 ] - [ 0.0026035400000000, 0.0019264900000000, -0.0048400000000000 ] - [ 0.0010894500000000, -0.0023504600000000, -0.0159977800000000 ] - [ 0.0022860900000000, 0.0006992400000000, -0.0024326100000000 ] - [ 0.0003666200000000, -0.0032179800000000, -0.0048400000000000 ] - [ -0.0027151500000000, -0.0023248300000000, -0.0031159700000000 ] - [ -0.0025802800000000, 0.0002317400000000, -0.0159977800000000 ] - [ -0.0029701600000000, 0.0012914800000000, -0.0048400000000000 ] - [ -0.0006557800000000, 0.0035138000000000, -0.0031159700000000 ] - [ -0.0005374800000000, -0.0023294300000000, -0.0024326100000000 ] - [ 0.0019192100000000, -0.0035692400000000, -0.0056735700000000 ] - [ -0.0028945100000000, -0.0026410200000000, -0.0022942700000000 ] - [ 0.0093995200000000, -0.0133880100000000, -0.0213753000000000 ] - [ 0.0025657800000000, 0.0007536000000000, -0.0030343100000000 ] - [ 0.0037344500000000, -0.0011862000000000, -0.0022942700000000 ] - [ 0.0068945900000000, 0.0148342200000000, -0.0213753000000000 ] - [ 0.0021314500000000, 0.0034467000000000, -0.0056735700000000 ] - [ -0.0019355300000000, 0.0018452300000000, -0.0030343100000000 ] - [ -0.0162941100000000, -0.0014462200000000, -0.0213753000000000 ] - [ -0.0040506600000000, 0.0001225400000000, -0.0056735700000000 ] - [ -0.0008399400000000, 0.0038272300000000, -0.0022942700000000 ] - [ -0.0006302500000000, -0.0025988300000000, -0.0030343100000000 ] - [ 0.0004333800000000, -0.0029684400000000, 0.0047943000000000 ] - [ -0.0004367600000000, 0.0000135500000000, 0.0007903100000000 ] - [ -0.0014684200000000, 0.0022901400000000, 0.0028494300000000 ] - [ 0.0007699100000000, 0.0008095900000000, 0.0003612300000000 ] - [ -0.0027874300000000, 0.0011089000000000, 0.0047943000000000 ] - [ 0.0027175300000000, 0.0001266200000000, 0.0028494300000000 ] - [ 0.0003161700000000, -0.0010715500000000, 0.0003612300000000 ] - [ 0.0002301200000000, 0.0003714700000000, 0.0007903100000000 ] - [ 0.0002066400000000, -0.0003850200000000, 0.0007903100000000 ] - [ -0.0012491100000000, -0.0024167600000000, 0.0028494300000000 ] - [ 0.0023540500000000, 0.0018595400000000, 0.0047943000000000 ] - [ -0.0010860800000000, 0.0002619600000000, 0.0003612300000000 ] - [ -0.0010629700000000, -0.0000211900000000, 0.0033650900000000 ] - [ -0.0004247700000000, -0.0000870800000000, 0.0021350500000000 ] - [ -0.0007609700000000, 0.0001256100000000, 0.0022400600000000 ] - [ -0.0003016100000000, 0.0007455800000000, 0.0025327300000000 ] - [ 0.0005498400000000, -0.0009099700000000, 0.0033650900000000 ] - [ -0.0004948900000000, -0.0006339900000000, 0.0025327300000000 ] - [ 0.0002878000000000, -0.0003243200000000, 0.0021350500000000 ] - [ 0.0002717000000000, -0.0007218200000000, 0.0022400600000000 ] - [ 0.0005131300000000, 0.0009311600000000, 0.0033650900000000 ] - [ 0.0004892600000000, 0.0005962100000000, 0.0022400600000000 ] - [ 0.0007965000000000, -0.0001115900000000, 0.0025327300000000 ] - [ 0.0001369700000000, 0.0004114000000000, 0.0021350500000000 ] - [ -0.0009558100000000, 0.0005049200000000, 0.0027396500000000 ] - [ -0.0002755900000000, 0.0005961700000000, 0.0031991200000000 ] - [ -0.0002452500000000, 0.0001354500000000, 0.0020874300000000 ] - [ -0.0002269100000000, 0.0006072800000000, 0.0021560100000000 ] - [ 0.0002399300000000, 0.0001446700000000, 0.0020874300000000 ] - [ 0.0009151800000000, 0.0005753000000000, 0.0027396500000000 ] - [ 0.0006540900000000, -0.0000594200000000, 0.0031991200000000 ] - [ 0.0006393800000000, -0.0001071300000000, 0.0021560100000000 ] - [ -0.0003785000000000, -0.0005367500000000, 0.0031991200000000 ] - [ 0.0000053200000000, -0.0002801200000000, 0.0020874300000000 ] - [ 0.0000406300000000, -0.0010802200000000, 0.0027396500000000 ] - [ -0.0004124700000000, -0.0005001500000000, 0.0021560100000000 ] - [ -0.0039281900000000, 0.0001168700000000, 0.0056641400000000 ] - [ 0.0024125600000000, 0.0003604200000000, 0.0033070600000000 ] - [ -0.0002440700000000, -0.0006825000000000, 0.0005879100000000 ] - [ -0.0000157200000000, 0.0007138000000000, 0.0005725300000000 ] - [ -0.0015184200000000, 0.0019091300000000, 0.0033070600000000 ] - [ 0.0007131000000000, 0.0001298800000000, 0.0005879100000000 ] - [ 0.0018628800000000, -0.0034603500000000, 0.0056641400000000 ] - [ -0.0006103100000000, -0.0003705200000000, 0.0005725300000000 ] - [ 0.0020653100000000, 0.0033434800000000, 0.0056641400000000 ] - [ -0.0004690300000000, 0.0005526200000000, 0.0005879100000000 ] - [ 0.0006260300000000, -0.0003432800000000, 0.0005725300000000 ] - [ -0.0008941500000000, -0.0022695500000000, 0.0033070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1382139200000000 ] - [ -0.0005133300000000, -0.0005340300000000, 0.0078535300000000 ] - [ 0.0007191500000000, -0.0001775400000000, 0.0078535300000000 ] - [ -0.0002058200000000, 0.0007115800000000, 0.0078535300000000 ] - [ -0.0036323900000000, 0.0129859000000000, -0.0028850200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849300000000 ] - [ 0.0130623100000000, -0.0033472100000000, -0.0028850200000000 ] - [ -0.0094299300000000, -0.0096386900000000, -0.0028850200000000 ] - [ 0.0123388900000000, 0.0014190000000000, 0.0215884700000000 ] - [ -0.0049405600000000, -0.0113952900000000, 0.0215884700000000 ] - [ -0.0073983400000000, 0.0099763000000000, 0.0215884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0075130300000000 ] - [ -0.0050158100000000, -0.0126545400000000, -0.0046182700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004998300000000 ] - [ -0.0084512500000000, 0.0106710900000000, -0.0046182700000000 ] - [ 0.0134670600000000, 0.0019834600000000, -0.0046182700000000 ] - [ 0.0003877000000000, 0.0020728900000000, -0.0044778500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025633900000000 ] - [ 0.0016013300000000, -0.0013722000000000, -0.0044778500000000 ] - [ -0.0019890300000000, -0.0007006900000000, -0.0044778500000000 ] - [ -0.0002327600000000, 0.0001438000000000, -0.0038534900000000 ] - [ 0.0002409100000000, 0.0001296700000000, -0.0038534900000000 ] - [ -0.0000081500000000, -0.0002734700000000, -0.0038534900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108291600000000 ] - [ -0.0006556100000000, 0.0001150100000000, -0.0024149200000000 ] - [ 0.0002282100000000, -0.0006252800000000, -0.0024149200000000 ] - [ 0.0004274100000000, 0.0005102800000000, -0.0024149200000000 ] - [ -0.0070171600000000, 0.0065459900000000, -0.0048431000000000 ] - [ 0.0091775700000000, 0.0028040400000000, -0.0048431000000000 ] - [ -0.0021604200000000, -0.0093500300000000, -0.0048431000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002818000000000 ] - [ 0.0021566000000000, -0.0013112200000000, -0.0046887900000000 ] - [ -0.0022138500000000, -0.0012120600000000, -0.0046887900000000 ] - [ 0.0000572500000000, 0.0025232800000000, -0.0046887900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027668300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0444695100000000 ] - [ -0.0010494500000000, -0.0002041500000000, 0.0006362600000000 ] - [ 0.0007015300000000, -0.0008067700000000, 0.0006362600000000 ] - [ 0.0003479200000000, 0.0010109300000000, 0.0006362600000000 ] - [ 0.0001589300000000, -0.0017119800000000, -0.0043471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023210000000000 ] - [ -0.0015620800000000, 0.0007183600000000, -0.0043471500000000 ] - [ 0.0014031500000000, 0.0009936200000000, -0.0043471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051109200000000 ] - [ 0.0002841900000000, 0.0000446900000000, -0.0037097200000000 ] - [ -0.0001808000000000, 0.0002237700000000, -0.0037097200000000 ] - [ -0.0001033900000000, -0.0002684600000000, -0.0037097200000000 ]