# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/58dc2e1c-d5b2-4ffe-a973-1765e28d84c1/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 Al2O3 / R-3c (167) / materials id 1143](https://mdr.nims.go.jp/datasets/085cd23e-52cd-43fa-8d44-27371dcc82d5) ## 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: - [ 2.387314183333336, 1.378316489999998, 4.337785496666662 ] # a - [ -2.387314186666664, 1.378316489999998, 4.337785496666662 ] # b - [ 0.000000003333336, -2.756632980000001, 4.337785496666662 ] # c points: - symbol: O # 1 coordinates: [ 0.250000000000000, 0.944198900000003, 0.555801110000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.444198890000000, 0.750000000000002, 0.055801110000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.555801110000000, 0.250000010000003, 0.944198890000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.944198890000000, 0.555801120000003, 0.250000000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.055801110000000, 0.444198890000002, 0.750000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.750000000000000, 0.055801110000002, 0.444198890000000 ] mass: 15.999400 - symbol: Al # 7 coordinates: [ 0.352089540000000, 0.352089530000002, 0.352089540000000 ] mass: 26.981539 - symbol: Al # 8 coordinates: [ 0.147910460000000, 0.147910470000002, 0.147910460000000 ] mass: 26.981539 - symbol: Al # 9 coordinates: [ 0.852089540000000, 0.852089540000002, 0.852089540000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.647910460000000, 0.647910450000003, 0.647910460000000 ] mass: 26.981539 reciprocal_lattice: # without 2pi - [ 0.209440384152872, 0.120920462190606, 0.076844125554267 ] # a* - [ -0.209440384152872, 0.120920461684094, 0.076844125554268 ] # b* - [ 0.000000000000000, -0.241840923874700, 0.076844125554267 ] # c*unit_cell: lattice: - [ 4.774628370000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.387314190000000, 4.134949470000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.013356490000000 ] # c points: - symbol: O # 1 coordinates: [ 0.333333330000000, 0.360865560000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.694198890000000, 0.694198890000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.639134440000000, 0.972467780000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.027532220000000, 0.666666670000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.305801110000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.305801110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.694198890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.360865560000000, 0.027532220000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.305801110000000, 0.305801110000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.694198890000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.972467780000000, 0.333333330000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.666666670000000, 0.639134440000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.666666670000000, 0.027532220000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.027532220000000, 0.360865560000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.972467780000000, 0.639134440000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.360865560000000, 0.333333330000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.639134440000000, 0.666666670000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.333333330000000, 0.972467780000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 6 - symbol: Al # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.685422870000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.814577130000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.852089540000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.981243790000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.018756210000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.147910460000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.185422870000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.314577130000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.352089540000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.481243790000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.518756210000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.647910460000000 ] mass: 26.981539 reduced_to: 22supercell: lattice: - [ 9.549256740000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.774628380000000, 8.269898939999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.013356490000000 ] # c points: - symbol: O # 1 coordinates: [ 0.166666665000000, 0.180432780000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.666666665000000, 0.180432780000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.166666665000000, 0.680432780000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.666666665000000, 0.680432780000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.347099445000000, 0.347099445000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.847099445000000, 0.347099445000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.347099445000000, 0.847099445000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.847099445000000, 0.847099445000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.319567220000000, 0.486233890000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.819567220000000, 0.486233890000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.319567220000000, 0.986233890000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.819567220000000, 0.986233890000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.013766110000000, 0.333333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.513766110000000, 0.333333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.013766110000000, 0.833333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.513766110000000, 0.833333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.152900555000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.652900555000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.152900555000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.652900555000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.152900555000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.152900555000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.652900555000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.652900555000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.347099445000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.347099445000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.000000000000000, 0.847099445000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.500000000000000, 0.847099445000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.180432780000000, 0.013766110000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.680432780000000, 0.013766110000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.180432780000000, 0.513766110000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.680432780000000, 0.513766110000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.152900555000000, 0.152900555000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.652900555000000, 0.152900555000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.152900555000000, 0.652900555000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.652900555000000, 0.652900555000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.347099445000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.847099445000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.347099445000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.847099445000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.486233890000000, 0.166666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.986233890000000, 0.166666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.486233890000000, 0.666666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.986233890000000, 0.666666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.333333335000000, 0.319567220000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.833333335000000, 0.319567220000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.333333335000000, 0.819567220000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.833333335000000, 0.819567220000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.333333335000000, 0.013766110000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.833333335000000, 0.013766110000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.333333335000000, 0.513766110000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.833333335000000, 0.513766110000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.013766110000000, 0.180432780000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.513766110000000, 0.180432780000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.013766110000000, 0.680432780000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 56 coordinates: [ 0.513766110000000, 0.680432780000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 57 coordinates: [ 0.486233890000000, 0.319567220000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.986233890000000, 0.319567220000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.486233890000000, 0.819567220000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 60 coordinates: [ 0.986233890000000, 0.819567220000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 61 coordinates: [ 0.180432780000000, 0.166666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.680432780000000, 0.166666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.180432780000000, 0.666666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.680432780000000, 0.666666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.319567220000000, 0.333333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.819567220000000, 0.333333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.319567220000000, 0.833333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 68 coordinates: [ 0.819567220000000, 0.833333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 69 coordinates: [ 0.166666665000000, 0.486233890000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.666666665000000, 0.486233890000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.166666665000000, 0.986233890000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 72 coordinates: [ 0.666666665000000, 0.986233890000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 21 - symbol: Al # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.685422870000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.685422870000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.685422870000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.685422870000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 77 coordinates: [ 0.166666665000000, 0.333333335000000, 0.814577130000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 78 coordinates: [ 0.666666665000000, 0.333333335000000, 0.814577130000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 79 coordinates: [ 0.166666665000000, 0.833333335000000, 0.814577130000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 80 coordinates: [ 0.666666665000000, 0.833333335000000, 0.814577130000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.852089540000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.852089540000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.852089540000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.852089540000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 85 coordinates: [ 0.333333335000000, 0.166666665000000, 0.981243790000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 86 coordinates: [ 0.833333335000000, 0.166666665000000, 0.981243790000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 87 coordinates: [ 0.333333335000000, 0.666666665000000, 0.981243790000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 88 coordinates: [ 0.833333335000000, 0.666666665000000, 0.981243790000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 89 coordinates: [ 0.166666665000000, 0.333333335000000, 0.018756210000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 90 coordinates: [ 0.666666665000000, 0.333333335000000, 0.018756210000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 91 coordinates: [ 0.166666665000000, 0.833333335000000, 0.018756210000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 92 coordinates: [ 0.666666665000000, 0.833333335000000, 0.018756210000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.147910460000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.147910460000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.147910460000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.147910460000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 97 coordinates: [ 0.333333335000000, 0.166666665000000, 0.185422870000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 98 coordinates: [ 0.833333335000000, 0.166666665000000, 0.185422870000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 99 coordinates: [ 0.333333335000000, 0.666666665000000, 0.185422870000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.185422870000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 101 coordinates: [ 0.166666665000000, 0.333333335000000, 0.314577130000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 102 coordinates: [ 0.666666665000000, 0.333333335000000, 0.314577130000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 103 coordinates: [ 0.166666665000000, 0.833333335000000, 0.314577130000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 104 coordinates: [ 0.666666665000000, 0.833333335000000, 0.314577130000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 105 coordinates: [ 0.000000000000000, 0.000000000000000, 0.352089540000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 106 coordinates: [ 0.500000000000000, 0.000000000000000, 0.352089540000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 107 coordinates: [ 0.000000000000000, 0.500000000000000, 0.352089540000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 108 coordinates: [ 0.500000000000000, 0.500000000000000, 0.352089540000000 ] mass: 26.981539 reduced_to: 73 - symbol: Al # 109 coordinates: [ 0.333333335000000, 0.166666665000000, 0.481243790000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 110 coordinates: [ 0.833333335000000, 0.166666665000000, 0.481243790000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 111 coordinates: [ 0.333333335000000, 0.666666665000000, 0.481243790000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 112 coordinates: [ 0.833333335000000, 0.666666665000000, 0.481243790000000 ] mass: 26.981539 reduced_to: 77 - symbol: Al # 113 coordinates: [ 0.166666665000000, 0.333333335000000, 0.518756210000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 114 coordinates: [ 0.666666665000000, 0.333333335000000, 0.518756210000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 115 coordinates: [ 0.166666665000000, 0.833333335000000, 0.518756210000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 116 coordinates: [ 0.666666665000000, 0.833333335000000, 0.518756210000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.647910460000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.647910460000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 119 coordinates: [ 0.000000000000000, 0.500000000000000, 0.647910460000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.647910460000000 ] mass: 26.981539 reduced_to: 85born_effective_charge:- # 1 (O) - [ -1.923568180000000, 0.086514120000000, -0.223712240000000 ] - [ 0.086514120000000, -2.023466080000000, -0.129160320000000 ] - [ -0.304689720000000, -0.175912690000000, -1.953267070000000 ]- # 2 (O) - [ -1.923568179293945, -0.086514119925034, 0.223712238261717 ] - [ -0.086514119259684, -2.023466080706056, -0.129160322469767 ] - [ 0.304689718414220, -0.175912693483515, -1.953267070000000 ]- # 3 (O) - [ -1.923568179293945, -0.086514119925034, 0.223712238261717 ] - [ -0.086514119259684, -2.023466080706056, -0.129160322469767 ] - [ 0.304689718414220, -0.175912693483515, -1.953267070000000 ]- # 4 (O) - [ -2.073415030706056, -0.000000000392783, 0.000000001738283 ] - [ -0.000000000422499, -1.873619229293945, 0.258320642469767 ] - [ 0.000000001585779, 0.351825383483515, -1.953267070000000 ]- # 5 (O) - [ -2.073415030706056, -0.000000000392783, 0.000000001738283 ] - [ -0.000000000422499, -1.873619229293945, 0.258320642469767 ] - [ 0.000000001585779, 0.351825383483515, -1.953267070000000 ]- # 6 (O) - [ -1.923568180000000, 0.086514120000000, -0.223712240000000 ] - [ 0.086514120000000, -2.023466080000001, -0.129160320000000 ] - [ -0.304689720000000, -0.175912690000000, -1.953267070000000 ]- # 7 (Al) - [ 2.960275690000000, 0.029498300000000, 0.000000000000000 ] - [ -0.029498310000000, 2.960275690000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.929900610000000 ]- # 8 (Al) - [ 2.960275694397079, -0.029498307615964, -0.000000000000000 ] - [ 0.029498302384036, 2.960275685602921, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.929900610000000 ]- # 9 (Al) - [ 2.960275694397079, -0.029498307615964, -0.000000000000000 ] - [ 0.029498302384036, 2.960275685602921, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 2.929900610000000 ]- # 10 (Al) - [ 2.960275690000000, 0.029498300000000, 0.000000000000000 ] - [ -0.029498310000000, 2.960275690000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.929900610000000 ]dielectric_constant: - [ 3.277003930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.277003930000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.237774070000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1881292900000000, -0.0018322200000000, -0.0531775800000000 ] - [ 0.0051041400000000, -0.0002903600000000, 0.0001488400000000 ] - [ 0.0000161400000000, -0.0041137400000000, -0.0004935400000000 ] - [ -0.0003482400000000, 0.0028512300000000, -0.0001619900000000 ] - [ -0.0007503500000000, 0.0045146400000000, -0.0070447600000000 ] - [ 0.0024141400000000, -0.0006644600000000, 0.0011555900000000 ] - [ 0.0011393100000000, -0.0013211200000000, -0.0014418200000000 ] - [ -0.0012396600000000, 0.0024443200000000, 0.0011943700000000 ] - [ -0.0068938600000000, 0.0011216700000000, -0.0002750600000000 ] - [ 0.0052919900000000, -0.0000472000000000, -0.0006775900000000 ] - [ 0.0112892800000000, -0.0102387200000000, -0.0012614100000000 ] - [ 0.0111456100000000, 0.0109045300000000, -0.0002759900000000 ] - [ 0.0300267200000000, -0.0224697800000000, 0.0016220400000000 ] - [ 0.0146634500000000, 0.0082999300000000, -0.0003580600000000 ] - [ -0.0037569900000000, -0.0023124300000000, -0.0002511000000000 ] - [ 0.0037195800000000, 0.0009531000000000, -0.0003730300000000 ] - [ -0.0030119500000000, -0.0032080400000000, -0.0066327400000000 ] - [ 0.0026241700000000, 0.0004597800000000, 0.0005972000000000 ] - [ -0.0006903200000000, -0.0027580200000000, 0.0019821100000000 ] - [ 0.0009490300000000, 0.0015064400000000, -0.0013355600000000 ] - [ 0.0084252900000000, 0.0036939000000000, 0.0196882300000000 ] - [ 0.0017648200000000, -0.0003995700000000, -0.0016318900000000 ] - [ 0.0002679700000000, -0.0009561100000000, -0.0001734500000000 ] - [ -0.0001830400000000, 0.0009744200000000, 0.0002042700000000 ] - [ 0.0000441500000000, -0.0009608800000000, -0.0010568700000000 ] - [ 0.0010794200000000, 0.0004452000000000, 0.0018063300000000 ] - [ -0.0007021200000000, -0.0005320200000000, 0.0007327300000000 ] - [ 0.0005176700000000, 0.0001860000000000, 0.0001591500000000 ] - [ -0.0007360200000000, -0.0053882000000000, 0.0089409000000000 ] - [ 0.0024113600000000, 0.0005492100000000, -0.0012915300000000 ] - [ -0.0012403900000000, -0.0020655500000000, -0.0014924700000000 ] - [ 0.0011342700000000, 0.0015481000000000, 0.0006277600000000 ] - [ -0.0018197500000000, 0.0000111300000000, 0.0010780400000000 ] - [ 0.0011018500000000, 0.0000980300000000, -0.0000888000000000 ] - [ 0.0000519900000000, -0.0005026500000000, 0.0000278700000000 ] - [ 0.0000504400000000, 0.0006604300000000, 0.0002511000000000 ] - [ 0.0006808200000000, -0.0005155200000000, 0.0013384300000000 ] - [ -0.0002088100000000, 0.0011099900000000, -0.0013523100000000 ] - [ -0.0008770400000000, 0.0007249800000000, 0.0009261400000000 ] - [ 0.0004491200000000, -0.0003213000000000, 0.0001029100000000 ] - [ 0.0032071000000000, -0.0005074700000000, 0.0021960700000000 ] - [ 0.0055886800000000, 0.0017320800000000, -0.0133372900000000 ] - [ -0.0000930400000000, 0.0008913600000000, -0.0004862600000000 ] - [ 0.0001463800000000, -0.0009701100000000, 0.0000396000000000 ] - [ 0.0013933300000000, 0.0077567100000000, 0.0126246000000000 ] - [ 0.0024738900000000, -0.0005467000000000, -0.0013128100000000 ] - [ 0.0012428200000000, -0.0015223800000000, 0.0006897100000000 ] - [ -0.0013572000000000, 0.0014108600000000, -0.0008685200000000 ] - [ 0.0000428500000000, -0.0001681000000000, -0.0005236200000000 ] - [ 0.0010854000000000, 0.0013970300000000, 0.0024421100000000 ] - [ -0.0006969600000000, 0.0002607800000000, -0.0002338600000000 ] - [ 0.0005192600000000, -0.0003205600000000, 0.0002230200000000 ] - [ -0.0005669300000000, -0.0000760400000000, 0.0005321800000000 ] - [ 0.0003148700000000, -0.0000602200000000, 0.0002568600000000 ] - [ -0.0000186600000000, -0.0001658200000000, 0.0002294800000000 ] - [ -0.0000188000000000, 0.0001630900000000, 0.0002957800000000 ] - [ 0.0003129200000000, -0.0000309600000000, -0.0006712100000000 ] - [ 0.0003192000000000, -0.0008028900000000, 0.0016874000000000 ] - [ 0.0004285100000000, 0.0003136900000000, 0.0000081400000000 ] - [ -0.0006009200000000, -0.0002196000000000, -0.0000886600000000 ] - [ -0.0017686100000000, -0.0000414200000000, 0.0004000400000000 ] - [ 0.0009596400000000, -0.0000250000000000, 0.0002784300000000 ] - [ -0.0000479700000000, -0.0006069800000000, 0.0003803500000000 ] - [ -0.0000215300000000, 0.0005476600000000, 0.0000138500000000 ] - [ -0.0002390800000000, -0.0001133700000000, 0.0004293300000000 ] - [ 0.0004612400000000, -0.0001119300000000, 0.0003068700000000 ] - [ 0.0001754900000000, -0.0002771100000000, 0.0003351500000000 ] - [ -0.0001943800000000, 0.0003545300000000, 0.0002349900000000 ] - [ -0.0003311500000000, -0.0002123400000000, 0.0002207800000000 ] - [ 0.0002513100000000, 0.0002981900000000, 0.0003991500000000 ] - [ -0.0001894600000000, 0.0000551100000000, 0.0003298700000000 ] - [ 0.0004177800000000, 0.0002021400000000, 0.0004551300000000 ] - [ 0.0001241800000000, 0.0002462500000000, 0.0037719200000000 ] - [ -0.0055831300000000, 0.0001656000000000, -0.0030641400000000 ] - [ 0.0005999700000000, 0.0011909100000000, -0.0002634500000000 ] - [ 0.0000693500000000, -0.0010045200000000, -0.0001405100000000 ] - [ 0.0211096600000000, 0.0035941000000000, -0.0003523700000000 ] - [ -0.0062500700000000, -0.0003108400000000, 0.0033735000000000 ] - [ 0.0010052700000000, 0.0050884600000000, 0.0027037100000000 ] - [ -0.0021301700000000, -0.0041468400000000, -0.0023450000000000 ] - [ 0.0297459700000000, 0.0127113600000000, 0.0101227800000000 ] - [ -0.0068770400000000, 0.0001146900000000, 0.0026431800000000 ] - [ -0.0040543000000000, 0.0076080900000000, -0.0035852800000000 ] - [ 0.0020861100000000, -0.0071250000000000, 0.0020545000000000 ] - [ 0.0552832700000000, -0.0021962400000000, 0.0193058800000000 ] - [ -0.0102457400000000, -0.0023400900000000, 0.0049002700000000 ] - [ -0.0000970300000000, 0.0015849300000000, 0.0006101400000000 ] - [ 0.0005645700000000, -0.0007604400000000, 0.0003238700000000 ] - [ 0.0233686400000000, -0.0003062500000000, 0.0024348800000000 ] - [ -0.0066333700000000, -0.0005594500000000, -0.0023440700000000 ] - [ 0.0003475600000000, 0.0062192200000000, -0.0009166400000000 ] - [ -0.0016699300000000, -0.0041470500000000, 0.0031727700000000 ] - [ 0.0064291900000000, -0.0021827200000000, 0.0008378600000000 ] - [ -0.0028083300000000, 0.0007392700000000, -0.0007278900000000 ] - [ -0.0007261100000000, 0.0017513500000000, 0.0010245300000000 ] - [ -0.0010952000000000, -0.0039556800000000, -0.0017157900000000 ] - [ -0.0010801000000000, 0.0005205500000000, -0.0045010900000000 ] - [ -0.0029311800000000, -0.0000527400000000, 0.0028306800000000 ] - [ 0.0003733600000000, 0.0004974800000000, 0.0001493600000000 ] - [ 0.0000831500000000, -0.0004189200000000, -0.0001315800000000 ] - [ 0.0012795400000000, 0.0001339500000000, -0.0004267700000000 ] - [ -0.0010698600000000, 0.0000095600000000, -0.0005664000000000 ] - [ 0.0000160700000000, 0.0006488300000000, -0.0008494100000000 ] - [ -0.0002977200000000, -0.0007490100000000, -0.0001422500000000 ] - [ 0.0009971300000000, -0.0000447200000000, -0.0004589000000000 ] - [ -0.0007987400000000, 0.0000344200000000, -0.0005411400000000 ] - [ -0.0002258000000000, 0.0005189500000000, -0.0000854000000000 ] - [ 0.0000681700000000, -0.0005165900000000, -0.0008426200000000 ] - [ 0.0004340300000000, 0.0000468600000000, -0.0002171400000000 ] - [ -0.0005858800000000, 0.0001354900000000, -0.0011271400000000 ] - [ 0.0001175400000000, 0.0000709300000000, -0.0003165500000000 ] - [ 0.0000174900000000, -0.0001260800000000, -0.0003125500000000 ] - [ 0.0011359800000000, 0.0004444900000000, -0.0009061200000000 ] - [ -0.0008249700000000, 0.0000311300000000, -0.0002402800000000 ] - [ 0.0000725800000000, 0.0004477400000000, -0.0000570600000000 ] - [ -0.0004141500000000, -0.0010192300000000, -0.0006386000000000 ] - [ 0.0049707700000000, -0.0034659100000000, -0.0023475300000000 ] - [ -0.0017184200000000, 0.0002149000000000, 0.0004481500000000 ] - [ -0.0008518900000000, 0.0014397400000000, -0.0009564200000000 ] - [ -0.0003012500000000, -0.0015442900000000, 0.0011889500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1847968800000000, 0.0019208600000000, 0.0511114000000000 ] - [ -0.0050274000000000, 0.0001768500000000, -0.0001279200000000 ] - [ 0.0000482500000000, 0.0039970700000000, 0.0005132600000000 ] - [ 0.0004021400000000, -0.0029607100000000, 0.0001819500000000 ] - [ 0.0006206100000000, -0.0046333500000000, 0.0070747500000000 ] - [ -0.0024645700000000, 0.0005638100000000, -0.0011679000000000 ] - [ -0.0011943600000000, 0.0012129400000000, 0.0014258900000000 ] - [ 0.0011894300000000, -0.0025355100000000, -0.0011952800000000 ] - [ 0.0069304000000000, -0.0012190100000000, 0.0002731500000000 ] - [ -0.0052215400000000, 0.0001804500000000, 0.0006974000000000 ] - [ -0.0110648100000000, 0.0101733100000000, 0.0012763800000000 ] - [ -0.0112072200000000, -0.0109329500000000, 0.0002953300000000 ] - [ -0.0306450600000000, 0.0228820500000000, -0.0016026600000000 ] - [ -0.0145644000000000, -0.0081438700000000, 0.0003798500000000 ] - [ 0.0036038100000000, 0.0023683300000000, 0.0002665400000000 ] - [ -0.0038405200000000, -0.0009794700000000, 0.0003948400000000 ] - [ 0.0030722600000000, 0.0032189200000000, 0.0066367900000000 ] - [ -0.0025043900000000, -0.0004610000000000, -0.0006032100000000 ] - [ 0.0008191400000000, 0.0027525700000000, -0.0019805100000000 ] - [ -0.0008494400000000, -0.0015001700000000, 0.0013196800000000 ] - [ -0.0084477800000000, -0.0036128300000000, -0.0198230400000000 ] - [ -0.0018241600000000, 0.0004938400000000, 0.0016115400000000 ] - [ -0.0003250200000000, 0.0010604600000000, 0.0001719700000000 ] - [ 0.0001220800000000, -0.0008887800000000, -0.0002003900000000 ] - [ 0.0000145200000000, 0.0008642900000000, 0.0010574100000000 ] - [ -0.0010262300000000, -0.0005411000000000, -0.0018031100000000 ] - [ 0.0007566100000000, 0.0004340700000000, -0.0007277100000000 ] - [ -0.0004601000000000, -0.0002831300000000, -0.0001563800000000 ] - [ 0.0006348500000000, 0.0052528300000000, -0.0089051000000000 ] - [ -0.0024671900000000, -0.0006529900000000, 0.0012749500000000 ] - [ 0.0011888800000000, 0.0019547500000000, 0.0014609200000000 ] - [ -0.0011994400000000, -0.0016434600000000, -0.0006392400000000 ] - [ 0.0018736200000000, 0.0000888500000000, -0.0010755500000000 ] - [ -0.0010422100000000, 0.0000020200000000, 0.0000949300000000 ] - [ 0.0000047300000000, 0.0005986300000000, -0.0000273700000000 ] - [ 0.0000031900000000, -0.0005631700000000, -0.0002488600000000 ] - [ -0.0007944700000000, 0.0005134000000000, -0.0013321600000000 ] - [ 0.0000937100000000, -0.0011101000000000, 0.0013524500000000 ] - [ 0.0007615800000000, -0.0007239900000000, -0.0009255900000000 ] - [ -0.0005593600000000, 0.0003221800000000, -0.0000999000000000 ] - [ -0.0030776100000000, 0.0005031900000000, -0.0021915400000000 ] - [ -0.0054650400000000, -0.0017355100000000, 0.0133895600000000 ] - [ 0.0002134100000000, -0.0008999000000000, 0.0004548200000000 ] - [ -0.0000232100000000, 0.0009718200000000, -0.0000650300000000 ] - [ -0.0015142200000000, -0.0076137500000000, -0.0125880400000000 ] - [ -0.0025269800000000, 0.0006532200000000, 0.0012999900000000 ] - [ -0.0012988500000000, 0.0016190000000000, -0.0007048000000000 ] - [ 0.0012969800000000, -0.0013004500000000, 0.0008439900000000 ] - [ 0.0000135800000000, 0.0000622000000000, 0.0005021000000000 ] - [ -0.0010203600000000, -0.0015014000000000, -0.0024610000000000 ] - [ 0.0007618800000000, -0.0003680400000000, 0.0002158900000000 ] - [ -0.0004584700000000, 0.0002197200000000, -0.0002470400000000 ] - [ 0.0005087800000000, -0.0000303300000000, -0.0005077600000000 ] - [ -0.0003775700000000, -0.0000485100000000, -0.0002314300000000 ] - [ -0.0000416700000000, 0.0000578400000000, -0.0002051100000000 ] - [ -0.0000418200000000, -0.0002724300000000, -0.0002710400000000 ] - [ -0.0002623400000000, 0.0001395300000000, 0.0006548800000000 ] - [ -0.0002561100000000, 0.0009102300000000, -0.0017068400000000 ] - [ -0.0003672500000000, -0.0002070700000000, -0.0000309500000000 ] - [ 0.0006615500000000, 0.0003321200000000, 0.0000692000000000 ] - [ 0.0016472400000000, 0.0000409800000000, -0.0004159100000000 ] - [ -0.0010809100000000, 0.0000244400000000, -0.0003045000000000 ] - [ -0.0000751800000000, 0.0006050100000000, -0.0004030700000000 ] - [ -0.0001036500000000, -0.0005469200000000, -0.0000372100000000 ] - [ 0.0003654900000000, 0.0001129800000000, -0.0004026800000000 ] - [ -0.0003378500000000, 0.0001124300000000, -0.0002827000000000 ] - [ -0.0000526700000000, 0.0002768000000000, -0.0003087500000000 ] - [ 0.0003192900000000, -0.0003534900000000, -0.0002093700000000 ] - [ 0.0002708900000000, 0.0003164900000000, -0.0001958100000000 ] - [ -0.0003146300000000, -0.0001932000000000, -0.0003752100000000 ] - [ 0.0001260700000000, 0.0000517400000000, -0.0003041700000000 ] - [ -0.0004783900000000, -0.0000984900000000, -0.0004309600000000 ] - [ -0.0000949600000000, -0.0002537200000000, -0.0037583300000000 ] - [ 0.0055554100000000, -0.0001613200000000, 0.0030681200000000 ] - [ -0.0006072900000000, -0.0011786700000000, 0.0002671200000000 ] - [ -0.0000707800000000, 0.0010007700000000, 0.0001485400000000 ] - [ -0.0212449100000000, -0.0032679900000000, 0.0000063000000000 ] - [ 0.0062295400000000, 0.0003063600000000, -0.0033373900000000 ] - [ -0.0009645600000000, -0.0050728500000000, -0.0026781000000000 ] - [ 0.0021317100000000, 0.0041582300000000, 0.0023574000000000 ] - [ -0.0296886500000000, -0.0132894900000000, -0.0104269300000000 ] - [ 0.0068408500000000, -0.0001070600000000, -0.0026074800000000 ] - [ 0.0040379800000000, -0.0076165000000000, 0.0036204300000000 ] - [ -0.0020138800000000, 0.0070895500000000, -0.0020187300000000 ] - [ -0.0513808800000000, 0.0018683600000000, -0.0170121400000000 ] - [ 0.0102412500000000, 0.0023483200000000, -0.0049394100000000 ] - [ 0.0000609700000000, -0.0015401300000000, -0.0006025100000000 ] - [ -0.0005758700000000, 0.0007336400000000, -0.0003347200000000 ] - [ -0.0233695200000000, 0.0005848000000000, -0.0020958200000000 ] - [ 0.0066101800000000, 0.0005544100000000, 0.0023266600000000 ] - [ -0.0003194700000000, -0.0061917700000000, 0.0009165200000000 ] - [ 0.0016735800000000, 0.0041551600000000, -0.0031699400000000 ] - [ -0.0064217000000000, 0.0021733300000000, -0.0008319800000000 ] - [ 0.0028021700000000, -0.0007286800000000, 0.0007084700000000 ] - [ 0.0007203900000000, -0.0017530500000000, -0.0010412600000000 ] - [ 0.0011044600000000, 0.0039614500000000, 0.0017062900000000 ] - [ 0.0010872700000000, -0.0005279300000000, 0.0044986000000000 ] - [ 0.0029170200000000, 0.0000532900000000, -0.0028182500000000 ] - [ -0.0003770600000000, -0.0004930800000000, -0.0001441000000000 ] - [ -0.0000833400000000, 0.0004160500000000, 0.0001330200000000 ] - [ -0.0012759700000000, -0.0001345700000000, 0.0004168800000000 ] - [ 0.0010717600000000, -0.0000138000000000, 0.0005553600000000 ] - [ -0.0000154800000000, -0.0006478300000000, 0.0008398500000000 ] - [ 0.0002992400000000, 0.0007499300000000, 0.0001339000000000 ] - [ -0.0009974300000000, 0.0000427900000000, 0.0004633100000000 ] - [ 0.0007967100000000, -0.0000301600000000, 0.0005458900000000 ] - [ 0.0002225000000000, -0.0005170300000000, 0.0000918200000000 ] - [ -0.0000692400000000, 0.0005150500000000, 0.0008504700000000 ] - [ -0.0004316500000000, -0.0000460900000000, 0.0001940300000000 ] - [ 0.0005811000000000, -0.0001334800000000, 0.0011082200000000 ] - [ -0.0001188700000000, -0.0000650400000000, 0.0002990000000000 ] - [ -0.0000181000000000, 0.0001290900000000, 0.0002918300000000 ] - [ -0.0011344400000000, -0.0004448700000000, 0.0009146100000000 ] - [ 0.0008270400000000, -0.0000357300000000, 0.0002511100000000 ] - [ -0.0000704100000000, -0.0004503700000000, 0.0000674800000000 ] - [ 0.0004128000000000, 0.0010151100000000, 0.0006503400000000 ] - [ -0.0049755000000000, 0.0034530900000000, 0.0023179000000000 ] - [ 0.0017170400000000, -0.0002135500000000, -0.0004485500000000 ] - [ 0.0008487200000000, -0.0014412000000000, 0.0009504700000000 ] - [ 0.0003129200000000, 0.0015600400000000, -0.0012133500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0518121300000000, -0.0306385600000000, -0.1639602400000000 ] - [ 0.0001681600000000, -0.0003312900000000, -0.0021858000000000 ] - [ -0.0004747600000000, -0.0003406900000000, -0.0020364900000000 ] - [ -0.0001408300000000, 0.0002067000000000, -0.0021846500000000 ] - [ -0.0088895500000000, -0.0127714100000000, 0.0126016800000000 ] - [ 0.0012508100000000, -0.0008376900000000, -0.0011049900000000 ] - [ -0.0006623800000000, 0.0002788400000000, -0.0009515400000000 ] - [ 0.0014461900000000, 0.0030847900000000, -0.0006272900000000 ] - [ 0.0003075800000000, 0.0019985800000000, -0.0081506300000000 ] - [ 0.0007197500000000, 0.0000078300000000, -0.0020174100000000 ] - [ 0.0002675800000000, -0.0001811800000000, -0.0053170900000000 ] - [ 0.0013276200000000, 0.0005023200000000, -0.0053130200000000 ] - [ 0.0018881800000000, -0.0008099500000000, -0.0081136200000000 ] - [ 0.0009207300000000, 0.0008673000000000, -0.0053243200000000 ] - [ -0.0001444900000000, 0.0004353600000000, -0.0053202500000000 ] - [ 0.0002418300000000, 0.0006193400000000, -0.0020178400000000 ] - [ -0.0061936500000000, 0.0116885700000000, 0.0125937100000000 ] - [ 0.0015371500000000, 0.0007934200000000, -0.0009532800000000 ] - [ 0.0010518300000000, -0.0019518600000000, -0.0006281000000000 ] - [ -0.0015711300000000, -0.0003989200000000, -0.0011058000000000 ] - [ 0.0195626100000000, 0.0031726600000000, 0.0210387100000000 ] - [ -0.0016476200000000, -0.0000046400000000, -0.0011154400000000 ] - [ -0.0002000800000000, 0.0009526400000000, -0.0009024100000000 ] - [ 0.0001731700000000, -0.0015710900000000, -0.0012673800000000 ] - [ -0.0004868600000000, 0.0010939100000000, 0.0020532600000000 ] - [ 0.0024876700000000, 0.0006201900000000, 0.0039087900000000 ] - [ -0.0001983700000000, -0.0011430400000000, 0.0020529500000000 ] - [ 0.0002623600000000, -0.0000018600000000, 0.0010125000000000 ] - [ 0.0070912400000000, -0.0115060700000000, 0.0127649700000000 ] - [ -0.0011967400000000, -0.0012710700000000, -0.0011329500000000 ] - [ -0.0012292300000000, 0.0017960800000000, -0.0006558900000000 ] - [ 0.0014087300000000, 0.0008382100000000, -0.0009806000000000 ] - [ -0.0010501100000000, -0.0001040200000000, 0.0039689900000000 ] - [ 0.0001215900000000, 0.0001321500000000, 0.0011944200000000 ] - [ -0.0002216900000000, 0.0002416100000000, 0.0010888400000000 ] - [ 0.0000011800000000, 0.0004855800000000, 0.0010893300000000 ] - [ 0.0013620000000000, -0.0007259000000000, 0.0024825500000000 ] - [ -0.0008308400000000, -0.0015180200000000, 0.0025588600000000 ] - [ -0.0007491700000000, 0.0011685800000000, 0.0025598600000000 ] - [ 0.0000266400000000, -0.0000686800000000, 0.0009607100000000 ] - [ 0.0035254100000000, -0.0002937300000000, -0.0006570300000000 ] - [ -0.0156067900000000, -0.0013302900000000, 0.0127571300000000 ] - [ 0.0000159700000000, 0.0015117700000000, -0.0011346300000000 ] - [ 0.0000278400000000, -0.0007123600000000, -0.0009825200000000 ] - [ 0.0126810000000000, 0.0157221100000000, 0.0213737800000000 ] - [ -0.0013420800000000, 0.0010454700000000, -0.0012951400000000 ] - [ 0.0006668000000000, -0.0005489300000000, -0.0009326400000000 ] - [ -0.0008878100000000, -0.0013266100000000, -0.0011445700000000 ] - [ -0.0010221900000000, 0.0002974700000000, 0.0020423300000000 ] - [ 0.0018315800000000, 0.0017297900000000, 0.0038808600000000 ] - [ 0.0007598300000000, -0.0010628000000000, 0.0020417900000000 ] - [ 0.0001888800000000, 0.0001293800000000, 0.0010062000000000 ] - [ -0.0005501900000000, 0.0001269600000000, 0.0026246100000000 ] - [ -0.0002737900000000, 0.0000601700000000, 0.0021827500000000 ] - [ -0.0003132600000000, 0.0001216300000000, 0.0017480700000000 ] - [ -0.0002473300000000, 0.0001927000000000, 0.0017487600000000 ] - [ -0.0016637100000000, 0.0001421400000000, 0.0025446500000000 ] - [ 0.0006902100000000, -0.0011198800000000, 0.0025441500000000 ] - [ 0.0000091300000000, 0.0001599900000000, 0.0009546600000000 ] - [ 0.0001077700000000, 0.0016382000000000, 0.0024690600000000 ] - [ -0.0007275800000000, -0.0008572900000000, 0.0039494800000000 ] - [ 0.0003010800000000, -0.0002426400000000, 0.0010825100000000 ] - [ -0.0000204600000000, -0.0003126400000000, 0.0010827200000000 ] - [ 0.0000554600000000, 0.0000374200000000, 0.0011869600000000 ] - [ -0.0000405500000000, -0.0005393500000000, 0.0026258600000000 ] - [ 0.0001654500000000, -0.0003108100000000, 0.0017482300000000 ] - [ 0.0000733600000000, -0.0003342700000000, 0.0017493100000000 ] - [ 0.0000403700000000, -0.0002697200000000, 0.0021830000000000 ] - [ 0.0001770100000000, 0.0001734300000000, 0.0020382300000000 ] - [ 0.0003564600000000, 0.0003417400000000, 0.0019732300000000 ] - [ 0.0002863000000000, 0.0002346200000000, 0.0024130600000000 ] - [ 0.0004107700000000, 0.0002429300000000, 0.0019713300000000 ] - [ 0.0058885900000000, 0.0001173500000000, -0.0056127100000000 ] - [ -0.0075522500000000, 0.0010089600000000, -0.0029363800000000 ] - [ -0.0001314100000000, 0.0009436700000000, -0.0005530500000000 ] - [ 0.0000895900000000, -0.0013951600000000, -0.0008820100000000 ] - [ -0.0005135900000000, 0.0070121400000000, 0.0197183200000000 ] - [ -0.0000182000000000, 0.0001059600000000, 0.0034727500000000 ] - [ 0.0030872000000000, -0.0040683600000000, 0.0057370200000000 ] - [ -0.0012337500000000, -0.0008743500000000, 0.0032731500000000 ] - [ 0.0095380600000000, 0.0157743400000000, 0.0318278900000000 ] - [ -0.0001742700000000, -0.0001693400000000, 0.0034018800000000 ] - [ -0.0005410600000000, 0.0004694800000000, 0.0029825900000000 ] - [ 0.0013859000000000, 0.0024968200000000, 0.0068650000000000 ] - [ 0.0194182900000000, 0.0003830800000000, 0.0320964200000000 ] - [ 0.0028451500000000, -0.0000511500000000, 0.0069010300000000 ] - [ 0.0001272300000000, -0.0006928400000000, 0.0030093500000000 ] - [ -0.0002536700000000, -0.0000852900000000, 0.0034274100000000 ] - [ 0.0053300400000000, -0.0029867300000000, 0.0206464500000000 ] - [ -0.0013697000000000, -0.0006351100000000, 0.0033205800000000 ] - [ -0.0019744400000000, 0.0047039600000000, 0.0058203200000000 ] - [ 0.0000795500000000, -0.0000781000000000, 0.0035164300000000 ] - [ 0.0030548200000000, 0.0050682700000000, -0.0056208700000000 ] - [ -0.0011675900000000, 0.0007806100000000, -0.0008771300000000 ] - [ 0.0007557500000000, -0.0005898100000000, -0.0005486600000000 ] - [ -0.0029130900000000, -0.0070758000000000, -0.0029424000000000 ] - [ -0.0043293800000000, 0.0016912400000000, -0.0071809000000000 ] - [ 0.0041965900000000, -0.0001702400000000, -0.0034761700000000 ] - [ 0.0002531400000000, -0.0009632600000000, -0.0008912900000000 ] - [ -0.0000743400000000, 0.0004886000000000, -0.0007788300000000 ] - [ 0.0006988300000000, -0.0006300700000000, -0.0041088100000000 ] - [ -0.0010248000000000, -0.0000333700000000, -0.0026769400000000 ] - [ -0.0002301300000000, 0.0006776700000000, -0.0031016200000000 ] - [ 0.0003925000000000, 0.0002453500000000, -0.0025352200000000 ] - [ 0.0002884300000000, 0.0005244200000000, -0.0038858700000000 ] - [ -0.0005109800000000, 0.0001008700000000, -0.0026590300000000 ] - [ 0.0002133700000000, -0.0002333800000000, -0.0025471700000000 ] - [ -0.0000605700000000, -0.0006295400000000, -0.0033256900000000 ] - [ 0.0005946900000000, -0.0000096500000000, -0.0038977900000000 ] - [ -0.0005697100000000, 0.0002628600000000, -0.0033368400000000 ] - [ -0.0000946500000000, 0.0003015700000000, -0.0025617800000000 ] - [ -0.0001698900000000, -0.0004871500000000, -0.0026750400000000 ] - [ -0.0001945600000000, 0.0009122300000000, -0.0040929500000000 ] - [ 0.0004042400000000, 0.0002128600000000, -0.0025290600000000 ] - [ 0.0004692300000000, -0.0005356200000000, -0.0030911400000000 ] - [ -0.0005365600000000, -0.0008691400000000, -0.0026678100000000 ] - [ -0.0007027000000000, -0.0045661400000000, -0.0071693100000000 ] - [ 0.0003865000000000, -0.0003082300000000, -0.0007990200000000 ] - [ -0.0007007600000000, 0.0006950500000000, -0.0009094000000000 ] - [ 0.0019444300000000, 0.0037050900000000, -0.0034849800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001292200000000, 0.0014113900000000, 0.0059096200000000 ] - [ -0.0055348300000000, -0.0014311800000000, -0.0075485400000000 ] - [ 0.0006355900000000, 0.0009312100000000, -0.0001220500000000 ] - [ 0.0001016500000000, -0.0009788700000000, 0.0001018900000000 ] - [ 0.0296542600000000, -0.0113853800000000, -0.0096406500000000 ] - [ -0.0068871800000000, -0.0036007000000000, 0.0001824800000000 ] - [ 0.0020286600000000, 0.0094134100000000, -0.0013798800000000 ] - [ -0.0040857600000000, -0.0038953700000000, 0.0005365700000000 ] - [ -0.0010763400000000, 0.0024758700000000, 0.0029321500000000 ] - [ -0.0006893600000000, -0.0018997600000000, -0.0007448900000000 ] - [ 0.0064663200000000, 0.0034539100000000, -0.0030476300000000 ] - [ -0.0027723900000000, -0.0005990600000000, 0.0011691800000000 ] - [ -0.0026668200000000, 0.0006634400000000, 0.0008883900000000 ] - [ 0.0048873600000000, -0.0030413000000000, -0.0028459800000000 ] - [ -0.0001126500000000, -0.0033572200000000, 0.0046836300000000 ] - [ -0.0011958700000000, 0.0017025500000000, -0.0012483800000000 ] - [ 0.0318519500000000, 0.0138732300000000, -0.0088692700000000 ] - [ -0.0099427500000000, 0.0041731200000000, -0.0006783900000000 ] - [ -0.0025423900000000, 0.0025671300000000, 0.0000555700000000 ] - [ 0.0041548200000000, -0.0059460000000000, -0.0014654200000000 ] - [ -0.0102355500000000, 0.0000495000000000, 0.0028348900000000 ] - [ 0.0552942000000000, -0.0007266900000000, 0.0200734600000000 ] - [ 0.0005416500000000, -0.0041386700000000, -0.0002449000000000 ] - [ -0.0001074200000000, 0.0053879200000000, 0.0001310700000000 ] - [ -0.0007696900000000, 0.0002946700000000, -0.0005095400000000 ] - [ 0.0010253500000000, -0.0003282400000000, 0.0002868900000000 ] - [ 0.0000973500000000, -0.0002914600000000, -0.0000590200000000 ] - [ -0.0001951900000000, 0.0002171100000000, 0.0002137300000000 ] - [ 0.0011043100000000, -0.0002688800000000, 0.0001850000000000 ] - [ -0.0008572400000000, 0.0003914300000000, -0.0004190600000000 ] - [ -0.0004474400000000, 0.0003137900000000, 0.0005277700000000 ] - [ 0.0000400400000000, -0.0006696000000000, -0.0004821700000000 ] - [ 0.0004620900000000, -0.0002326100000000, -0.0005968000000000 ] - [ -0.0005531400000000, 0.0001889300000000, 0.0005703500000000 ] - [ 0.0000460000000000, 0.0004869800000000, 0.0001681300000000 ] - [ 0.0001463600000000, -0.0002705100000000, 0.0000938900000000 ] - [ 0.0006557900000000, 0.0002080300000000, 0.0003061300000000 ] - [ -0.0006185500000000, -0.0003240100000000, -0.0003094200000000 ] - [ 0.0000159200000000, 0.0005138500000000, -0.0005131200000000 ] - [ -0.0003638600000000, -0.0003154600000000, 0.0003397600000000 ] - [ 0.0007681200000000, 0.0001952700000000, -0.0009035500000000 ] - [ -0.0008454100000000, -0.0001163300000000, 0.0006870600000000 ] - [ 0.0001202000000000, 0.0005441500000000, 0.0000048000000000 ] - [ 0.0001906000000000, -0.0007058400000000, 0.0004734300000000 ] - [ 0.0012475900000000, 0.0004155100000000, 0.0006825600000000 ] - [ -0.0011015200000000, -0.0005835000000000, -0.0010348500000000 ] - [ -0.0000145100000000, 0.0005359200000000, -0.0002416100000000 ] - [ -0.0003306700000000, -0.0002161400000000, 0.0003778700000000 ] - [ 0.0234777100000000, 0.0020355300000000, 0.0054922100000000 ] - [ -0.0065902400000000, -0.0016037500000000, -0.0013739800000000 ] - [ 0.0003574800000000, 0.0053992800000000, -0.0019913100000000 ] - [ -0.0016334900000000, -0.0029997600000000, 0.0000738600000000 ] - [ -0.0029628200000000, -0.0000119500000000, -0.0041854400000000 ] - [ -0.0011057200000000, -0.0000944900000000, 0.0043193000000000 ] - [ 0.0003446900000000, -0.0007887900000000, -0.0002407500000000 ] - [ 0.0000526000000000, 0.0007726700000000, 0.0000852500000000 ] - [ 0.0213012100000000, -0.0006669300000000, 0.0000923800000000 ] - [ -0.0062111700000000, 0.0015617400000000, 0.0000213800000000 ] - [ -0.0020961500000000, 0.0032061300000000, 0.0012279200000000 ] - [ 0.0010095700000000, -0.0057708100000000, -0.0030982800000000 ] - [ 0.0189539000000000, 0.0025750600000000, -0.0063439200000000 ] - [ -0.0091887100000000, -0.0007526000000000, 0.0050728900000000 ] - [ -0.0001544800000000, 0.0032317200000000, -0.0001117300000000 ] - [ -0.0003578600000000, -0.0030870600000000, 0.0001279200000000 ] - [ 0.0045435600000000, 0.0037361400000000, -0.0035976100000000 ] - [ -0.0018492200000000, -0.0008290300000000, 0.0009734600000000 ] - [ -0.0001604300000000, 0.0014988200000000, 0.0022434400000000 ] - [ -0.0005800900000000, -0.0008338000000000, -0.0004467200000000 ] - [ -0.0008821200000000, 0.0012541300000000, -0.0006914700000000 ] - [ -0.0003340400000000, -0.0015035500000000, 0.0019487600000000 ] - [ 0.0049372500000000, -0.0029165600000000, -0.0006877100000000 ] - [ -0.0017482900000000, 0.0006777400000000, 0.0004018600000000 ] - [ -0.2145812500000000, 0.0006720900000000, -0.0008661300000000 ] - [ 0.0138091800000000, 0.0001927900000000, 0.0008281100000000 ] - [ 0.0028572600000000, -0.0065313900000000, -0.0009577000000000 ] - [ 0.0025237500000000, 0.0063418500000000, 0.0001228100000000 ] - [ 0.0120272100000000, -0.0101444700000000, -0.0114506300000000 ] - [ 0.0120560600000000, 0.0194876300000000, 0.0147478300000000 ] - [ -0.0136927000000000, 0.0046547200000000, -0.0032139200000000 ] - [ 0.0037326500000000, -0.0019348100000000, -0.0000027600000000 ] - [ 0.0093380800000000, 0.0052830000000000, -0.0100917400000000 ] - [ 0.0081424100000000, -0.0141678500000000, 0.0146930900000000 ] - [ 0.0021220900000000, 0.0012049300000000, 0.0000091600000000 ] - [ -0.0081735200000000, -0.0033980200000000, -0.0045457200000000 ] - [ -0.0059549800000000, 0.0000010600000000, -0.0000185700000000 ] - [ 0.0043840900000000, -0.0002168300000000, 0.0005115700000000 ] - [ 0.0002670800000000, -0.0021643300000000, -0.0001268300000000 ] - [ 0.0006460300000000, 0.0023820300000000, -0.0004004100000000 ] - [ 0.0010705100000000, -0.0012064000000000, -0.0024320800000000 ] - [ -0.0001680600000000, 0.0018185500000000, 0.0026193700000000 ] - [ -0.0021759400000000, -0.0007666000000000, -0.0001611600000000 ] - [ 0.0011757300000000, -0.0000491800000000, 0.0000114000000000 ] - [ -0.0000022600000000, 0.0003246000000000, -0.0003054600000000 ] - [ -0.0000030400000000, -0.0004775600000000, 0.0002741100000000 ] - [ 0.0006150100000000, 0.0002605700000000, -0.0000038600000000 ] - [ -0.0006979600000000, -0.0000767100000000, 0.0000206800000000 ] - [ -0.0012881200000000, 0.0001191100000000, 0.0000049900000000 ] - [ 0.0012790900000000, -0.0000428800000000, 0.0002805500000000 ] - [ 0.0000717100000000, -0.0007407000000000, -0.0001017100000000 ] - [ 0.0000721900000000, 0.0006537700000000, -0.0001650100000000 ] - [ 0.0002153200000000, -0.0010727400000000, 0.0018991400000000 ] - [ 0.0005494900000000, 0.0008763300000000, -0.0016752300000000 ] - [ -0.0012998200000000, 0.0001943800000000, -0.0002295200000000 ] - [ 0.0007693000000000, -0.0000016300000000, -0.0000042500000000 ] - [ -0.0001692600000000, 0.0019239000000000, 0.0025226800000000 ] - [ 0.0010600800000000, -0.0011050700000000, -0.0019863200000000 ] - [ 0.0011749000000000, 0.0000481800000000, 0.0000036200000000 ] - [ -0.0021702300000000, -0.0006613200000000, -0.0005149900000000 ] - [ -0.0273567300000000, 0.0008540500000000, 0.0001035000000000 ] - [ 0.0069801000000000, -0.0000905900000000, -0.0010932300000000 ] - [ 0.0011016800000000, -0.0034735100000000, 0.0003198700000000 ] - [ 0.0011011700000000, 0.0032929100000000, 0.0007256200000000 ] - [ 0.0093058300000000, -0.0134604300000000, 0.0109804300000000 ] - [ 0.0080933300000000, 0.0060376900000000, -0.0089446200000000 ] - [ -0.0081356000000000, -0.0047508000000000, -0.0020617700000000 ] - [ 0.0021233300000000, 0.0011872600000000, 0.0000043200000000 ] - [ 0.0323265000000000, 0.0273534000000000, 0.0054590400000000 ] - [ 0.0316828900000000, -0.0282848500000000, -0.0133877000000000 ] - [ 0.0025349700000000, 0.0000127600000000, -0.0000070900000000 ] - [ -0.0161815900000000, 0.0004656700000000, 0.0077836600000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000905500000000, -0.0015255400000000, -0.0058955600000000 ] - [ 0.0056041100000000, 0.0013247200000000, 0.0075856200000000 ] - [ -0.0005713400000000, -0.0010415900000000, 0.0001415900000000 ] - [ -0.0000378400000000, 0.0008734200000000, -0.0000806500000000 ] - [ -0.0297794600000000, 0.0117873700000000, 0.0099365700000000 ] - [ 0.0068299700000000, 0.0034832400000000, -0.0001929600000000 ] - [ -0.0020718000000000, -0.0094686500000000, 0.0013846900000000 ] - [ 0.0040062500000000, 0.0038093300000000, -0.0005406300000000 ] - [ 0.0011239400000000, -0.0023576300000000, -0.0028821200000000 ] - [ 0.0007564800000000, 0.0020021600000000, 0.0007606100000000 ] - [ -0.0063842800000000, -0.0033387700000000, 0.0030544000000000 ] - [ 0.0028388700000000, 0.0007161000000000, -0.0011626100000000 ] - [ 0.0025402600000000, -0.0006698000000000, -0.0008810700000000 ] - [ -0.0049875000000000, 0.0030325400000000, 0.0028572200000000 ] - [ -0.0000163100000000, 0.0033454900000000, -0.0046365600000000 ] - [ 0.0010740200000000, -0.0016939000000000, 0.0012656500000000 ] - [ -0.0321620300000000, -0.0147777600000000, 0.0094050300000000 ] - [ 0.0100724800000000, -0.0041669000000000, 0.0006621900000000 ] - [ 0.0026444500000000, -0.0025794000000000, -0.0000575200000000 ] - [ -0.0040209300000000, 0.0059137500000000, 0.0014715700000000 ] - [ 0.0102500900000000, 0.0000681800000000, -0.0028670800000000 ] - [ -0.0513700700000000, 0.0005100600000000, -0.0178193300000000 ] - [ -0.0005984000000000, 0.0042177000000000, 0.0002430500000000 ] - [ 0.0000511600000000, -0.0052550000000000, -0.0001321100000000 ] - [ 0.0008262400000000, -0.0003922700000000, 0.0005094500000000 ] - [ -0.0009694800000000, 0.0002301500000000, -0.0002897700000000 ] - [ -0.0000402400000000, 0.0001929800000000, 0.0000584800000000 ] - [ 0.0002539500000000, -0.0003144600000000, -0.0002139000000000 ] - [ -0.0011670600000000, 0.0001632600000000, -0.0002084600000000 ] - [ 0.0007949000000000, -0.0004986500000000, 0.0003929300000000 ] - [ 0.0003799000000000, -0.0004221400000000, -0.0005490700000000 ] - [ -0.0001037500000000, 0.0005627600000000, 0.0004591500000000 ] - [ -0.0004047700000000, 0.0003314800000000, 0.0005957300000000 ] - [ 0.0006140000000000, -0.0000898500000000, -0.0005734500000000 ] - [ 0.0000111700000000, -0.0003894000000000, -0.0001696900000000 ] - [ -0.0000896000000000, 0.0003699300000000, -0.0000957000000000 ] - [ -0.0007705800000000, -0.0002077500000000, -0.0003104600000000 ] - [ 0.0005024000000000, 0.0003239300000000, 0.0003078000000000 ] - [ -0.0001306700000000, -0.0005132000000000, 0.0005131200000000 ] - [ 0.0002522400000000, 0.0003151600000000, -0.0003412400000000 ] - [ -0.0006442500000000, -0.0001976800000000, 0.0008796100000000 ] - [ 0.0009681300000000, 0.0001151100000000, -0.0007131100000000 ] - [ 0.0000050000000000, -0.0005430000000000, -0.0000271200000000 ] - [ -0.0000661400000000, 0.0007025200000000, -0.0004942100000000 ] - [ -0.0013090500000000, -0.0003086300000000, -0.0007071100000000 ] - [ 0.0010405900000000, 0.0006918500000000, 0.0010100600000000 ] - [ -0.0000467200000000, -0.0004268100000000, 0.0002174600000000 ] - [ 0.0002665000000000, 0.0003262100000000, -0.0004021700000000 ] - [ -0.0232585700000000, -0.0022974500000000, -0.0056586000000000 ] - [ 0.0066525300000000, 0.0015158100000000, 0.0013725100000000 ] - [ -0.0003092700000000, -0.0055130600000000, 0.0019634000000000 ] - [ 0.0017096700000000, 0.0028913200000000, -0.0000863800000000 ] - [ 0.0028845600000000, -0.0000944600000000, 0.0041928100000000 ] - [ 0.0010621800000000, -0.0000197600000000, -0.0043134100000000 ] - [ -0.0004058200000000, 0.0006775400000000, 0.0002637600000000 ] - [ -0.0001138000000000, -0.0008794100000000, -0.0000625200000000 ] - [ -0.0210511000000000, 0.0009730800000000, -0.0003519700000000 ] - [ 0.0062676100000000, -0.0014655100000000, -0.0000250100000000 ] - [ 0.0021655100000000, -0.0030923000000000, -0.0012435100000000 ] - [ -0.0009602100000000, 0.0058859200000000, 0.0030756200000000 ] - [ -0.0204341300000000, -0.0025676800000000, 0.0052321700000000 ] - [ 0.0090390000000000, 0.0007481400000000, -0.0050558000000000 ] - [ 0.0000324800000000, -0.0032480600000000, 0.0000950300000000 ] - [ 0.0002379400000000, 0.0031012100000000, -0.0001468900000000 ] - [ -0.0044306900000000, -0.0037454800000000, 0.0036317700000000 ] - [ 0.0019792700000000, 0.0008238300000000, -0.0009389800000000 ] - [ 0.0002914500000000, -0.0015106700000000, -0.0022385500000000 ] - [ 0.0007024800000000, 0.0008380000000000, 0.0004723700000000 ] - [ 0.0008175300000000, -0.0011512200000000, 0.0007166200000000 ] - [ 0.0002807600000000, 0.0016241000000000, -0.0019477100000000 ] - [ -0.0050101100000000, 0.0030293900000000, 0.0007153300000000 ] - [ 0.0016884200000000, -0.0005671300000000, -0.0003695900000000 ] - [ 0.2119312800000000, 0.0006720900000000, -0.0008038800000000 ] - [ -0.0138440500000000, -0.0001899800000000, -0.0008422100000000 ] - [ -0.0028462100000000, 0.0065235400000000, 0.0009585700000000 ] - [ -0.0025168100000000, -0.0063308700000000, -0.0001237500000000 ] - [ -0.0120118000000000, 0.0102741100000000, 0.0115534300000000 ] - [ -0.0119832600000000, -0.0194320800000000, -0.0146422300000000 ] - [ 0.0136558900000000, -0.0045964100000000, 0.0031716400000000 ] - [ -0.0037338900000000, 0.0019118700000000, -0.0000028600000000 ] - [ -0.0092985700000000, -0.0053569900000000, 0.0101537800000000 ] - [ -0.0080928700000000, 0.0141490700000000, -0.0146256100000000 ] - [ -0.0021245400000000, -0.0011894300000000, 0.0000090100000000 ] - [ 0.0081280300000000, 0.0033608500000000, 0.0045278200000000 ] - [ 0.0059514400000000, 0.0000010600000000, -0.0000185400000000 ] - [ -0.0043905200000000, 0.0002196100000000, -0.0005135800000000 ] - [ -0.0002665900000000, 0.0021569800000000, 0.0001120100000000 ] - [ -0.0006439300000000, -0.0023757300000000, 0.0003857800000000 ] - [ -0.0010612900000000, 0.0012135200000000, 0.0024498000000000 ] - [ 0.0001691400000000, -0.0018190000000000, -0.0025996500000000 ] - [ 0.0021727000000000, 0.0007631000000000, 0.0001765100000000 ] - [ -0.0011748600000000, 0.0000421800000000, 0.0000115400000000 ] - [ 0.0000032700000000, -0.0003250200000000, 0.0002986400000000 ] - [ 0.0000025700000000, 0.0004786000000000, -0.0002801300000000 ] - [ -0.0006136300000000, -0.0002579100000000, -0.0000037900000000 ] - [ 0.0006983700000000, 0.0000764200000000, -0.0000291800000000 ] - [ 0.0012871000000000, -0.0001189100000000, 0.0000050500000000 ] - [ -0.0012812200000000, 0.0000431200000000, -0.0002697300000000 ] - [ -0.0000733900000000, 0.0007398800000000, 0.0001100300000000 ] - [ -0.0000729200000000, -0.0006545300000000, 0.0001740500000000 ] - [ -0.0002151600000000, 0.0010701600000000, -0.0019063000000000 ] - [ -0.0005565800000000, -0.0008764000000000, 0.0016743800000000 ] - [ 0.0013059000000000, -0.0001956800000000, 0.0002260800000000 ] - [ -0.0007670300000000, -0.0000014900000000, -0.0000043300000000 ] - [ 0.0001679800000000, -0.0019216400000000, -0.0025121300000000 ] - [ -0.0010716500000000, 0.0011068800000000, 0.0020013500000000 ] - [ -0.0011757400000000, -0.0000433600000000, 0.0000037600000000 ] - [ 0.0021787200000000, 0.0006602000000000, 0.0005323600000000 ] - [ 0.0274167200000000, -0.0008448000000000, 0.0001037200000000 ] - [ -0.0069627900000000, 0.0000924700000000, 0.0010421900000000 ] - [ -0.0011090200000000, 0.0034830800000000, -0.0003411800000000 ] - [ -0.0011094400000000, -0.0032977500000000, -0.0007487000000000 ] - [ -0.0093308400000000, 0.0134695000000000, -0.0110331000000000 ] - [ -0.0081416000000000, -0.0059886300000000, 0.0089040300000000 ] - [ 0.0081658100000000, 0.0047811500000000, 0.0021037100000000 ] - [ -0.0021230700000000, -0.0012071700000000, 0.0000043900000000 ] - [ -0.0326375400000000, -0.0277310900000000, -0.0056017500000000 ] - [ -0.0313613100000000, 0.0279085300000000, 0.0132292300000000 ] - [ -0.0025354200000000, 0.0000129200000000, -0.0000072900000000 ] - [ 0.0161806500000000, -0.0006428000000000, -0.0077737700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0038195700000000, -0.0012687700000000, -0.0056135500000000 ] - [ -0.0030368300000000, -0.0002544500000000, -0.0029093200000000 ] - [ -0.0002339600000000, 0.0012970700000000, -0.0005334000000000 ] - [ -0.0001126800000000, -0.0008018300000000, -0.0008625200000000 ] - [ -0.0105213000000000, 0.0153811400000000, 0.0321045700000000 ] - [ -0.0026477400000000, -0.0011808000000000, 0.0034182400000000 ] - [ -0.0020650900000000, 0.0044506000000000, 0.0068878400000000 ] - [ 0.0035610700000000, 0.0027237800000000, 0.0029975500000000 ] - [ 0.0017387700000000, -0.0025027400000000, -0.0029093200000000 ] - [ -0.0010063100000000, -0.0008511500000000, -0.0005334000000000 ] - [ -0.0008110000000000, 0.0039422300000000, -0.0056135500000000 ] - [ 0.0007507500000000, 0.0003033300000000, -0.0008625200000000 ] - [ 0.0012402700000000, -0.0004459200000000, -0.0005334000000000 ] - [ -0.0030085700000000, -0.0026734700000000, -0.0056135500000000 ] - [ 0.0012980500000000, 0.0027571900000000, -0.0029093200000000 ] - [ -0.0006380700000000, 0.0004985000000000, -0.0008625200000000 ] - [ -0.0080598100000000, -0.0168022800000000, 0.0321045700000000 ] - [ -0.0041393900000000, 0.0017220900000000, 0.0029975500000000 ] - [ 0.0023464700000000, -0.0017026100000000, 0.0034182400000000 ] - [ -0.0028217900000000, -0.0040137300000000, 0.0068878400000000 ] - [ 0.0048868800000000, -0.0004368800000000, 0.0068878400000000 ] - [ 0.0185811100000000, 0.0014211400000000, 0.0321045700000000 ] - [ 0.0003012600000000, 0.0028834100000000, 0.0034182400000000 ] - [ 0.0005783200000000, -0.0044458600000000, 0.0029975500000000 ] - [ -0.0005150800000000, -0.0000840200000000, -0.0026668700000000 ] - [ -0.0004341200000000, -0.0000233100000000, -0.0038922000000000 ] - [ -0.0008174300000000, -0.0008488500000000, -0.0033305200000000 ] - [ -0.0000602700000000, -0.0003534600000000, -0.0025554500000000 ] - [ 0.0008814800000000, -0.0000120900000000, -0.0041198400000000 ] - [ 0.0002138600000000, -0.0000695900000000, -0.0025434200000000 ] - [ 0.0006127800000000, -0.0003285600000000, -0.0026852300000000 ] - [ 0.0000284700000000, -0.0009969200000000, -0.0031129600000000 ] - [ 0.0002372500000000, -0.0003643100000000, -0.0038922000000000 ] - [ 0.0011438400000000, -0.0002834900000000, -0.0033305200000000 ] - [ 0.0003303100000000, -0.0004040600000000, -0.0026668700000000 ] - [ 0.0003362500000000, 0.0001245300000000, -0.0025554500000000 ] - [ 0.0001968800000000, 0.0003876100000000, -0.0038922000000000 ] - [ -0.0002759700000000, 0.0002289300000000, -0.0025554500000000 ] - [ -0.0003264100000000, 0.0011323300000000, -0.0033305200000000 ] - [ 0.0001847700000000, 0.0004880800000000, -0.0026668700000000 ] - [ -0.0004302600000000, 0.0007694300000000, -0.0041198400000000 ] - [ 0.0008491200000000, 0.0005231100000000, -0.0031129600000000 ] - [ -0.0000466600000000, 0.0002200000000000, -0.0025434200000000 ] - [ -0.0000218500000000, 0.0006949600000000, -0.0026852300000000 ] - [ -0.0004512100000000, -0.0007573300000000, -0.0041198400000000 ] - [ -0.0005909300000000, -0.0003664000000000, -0.0026852300000000 ] - [ -0.0008775900000000, 0.0004738100000000, -0.0031129600000000 ] - [ -0.0001672000000000, -0.0001504100000000, -0.0025434200000000 ] - [ 0.0024962400000000, -0.0019684800000000, 0.0196872900000000 ] - [ -0.0023046100000000, -0.0014187200000000, 0.0032808400000000 ] - [ -0.0008845200000000, 0.0035783700000000, 0.0057563900000000 ] - [ 0.0032018000000000, 0.0019896200000000, 0.0034784900000000 ] - [ -0.0028575400000000, -0.0002963800000000, -0.0034808800000000 ] - [ 0.0044602900000000, -0.0001528300000000, -0.0071557400000000 ] - [ -0.0001766700000000, -0.0012378100000000, -0.0008907900000000 ] - [ 0.0001030000000000, 0.0005391500000000, -0.0007797800000000 ] - [ 0.0004566300000000, 0.0031460500000000, 0.0196872900000000 ] - [ -0.0033239600000000, 0.0017780300000000, 0.0034784900000000 ] - [ 0.0023809500000000, -0.0012864900000000, 0.0032808400000000 ] - [ -0.0026567000000000, -0.0025552000000000, 0.0057563900000000 ] - [ -0.0029528700000000, -0.0011775700000000, 0.0196872900000000 ] - [ 0.0035412200000000, -0.0010231700000000, 0.0057563900000000 ] - [ 0.0001221600000000, -0.0037676500000000, 0.0034784900000000 ] - [ -0.0000763400000000, 0.0027052100000000, 0.0032808400000000 ] - [ -0.0020977900000000, 0.0039391400000000, -0.0071557400000000 ] - [ 0.0011603100000000, 0.0004659100000000, -0.0008907900000000 ] - [ 0.0016854500000000, -0.0023265100000000, -0.0034808800000000 ] - [ -0.0005184200000000, -0.0001803700000000, -0.0007797800000000 ] - [ -0.0009836400000000, 0.0007719000000000, -0.0008907900000000 ] - [ 0.0011720900000000, 0.0026228900000000, -0.0034808800000000 ] - [ -0.0023625000000000, -0.0037863100000000, -0.0071557400000000 ] - [ 0.0004154200000000, -0.0003587800000000, -0.0007797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1884499200000000 ] - [ 0.0008308900000000, 0.0006241300000000, -0.0096624600000000 ] - [ -0.0009559600000000, 0.0004075100000000, -0.0096624600000000 ] - [ 0.0001250700000000, -0.0010316400000000, -0.0096624600000000 ] - [ -0.0147061200000000, 0.0048285400000000, 0.0031405500000000 ] - [ 0.0115347000000000, 0.0103216000000000, 0.0031405500000000 ] - [ 0.0031714200000000, -0.0151501400000000, 0.0031405500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004495200000000 ] - [ -0.0110210500000000, -0.0039827400000000, 0.0052083200000000 ] - [ 0.0089596800000000, -0.0075531400000000, 0.0052083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008134400000000 ] - [ 0.0020613700000000, 0.0115358800000000, 0.0052083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0128988500000000 ] - [ 0.0005089900000000, -0.0001584800000000, 0.0031532200000000 ] - [ -0.0001172500000000, 0.0005200400000000, 0.0031532200000000 ] - [ -0.0003917400000000, -0.0003615600000000, 0.0031532200000000 ] - [ -0.0020016400000000, 0.0017711300000000, 0.0052983200000000 ] - [ 0.0025346600000000, 0.0008479000000000, 0.0052983200000000 ] - [ -0.0005330200000000, -0.0026190300000000, 0.0052983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030288900000000 ] - [ -0.0002802500000000, -0.0001910500000000, 0.0049036400000000 ] - [ 0.0003055800000000, -0.0001471800000000, 0.0049036400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039837100000000 ] - [ -0.0000253300000000, 0.0003382300000000, 0.0049036400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059997900000000 ] - [ -0.0002754400000000, -0.0000369900000000, 0.0042395000000000 ] - [ 0.0001697500000000, -0.0002200500000000, 0.0042395000000000 ] - [ 0.0001056900000000, 0.0002570300000000, 0.0042395000000000 ] - [ 0.0018973300000000, -0.0008364100000000, 0.0052468000000000 ] - [ -0.0016730200000000, -0.0012249300000000, 0.0052468000000000 ] - [ -0.0002243100000000, 0.0020613400000000, 0.0052468000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029577100000000 ] - [ 0.0026036600000000, 0.0013136800000000, 0.0052914800000000 ] - [ -0.0024395100000000, 0.0015979900000000, 0.0052914800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030317000000000 ] - [ -0.0001641500000000, -0.0029116800000000, 0.0052914800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0578456300000000 ] - [ 0.0010704200000000, 0.0002354300000000, -0.0002558900000000 ] - [ -0.0007391000000000, 0.0008093000000000, -0.0002558900000000 ] - [ -0.0003313200000000, -0.0010447200000000, -0.0002558900000000 ] - [ 0.0101038600000000, -0.0110838200000000, 0.0052356200000000 ] - [ -0.0146507900000000, -0.0032082900000000, 0.0052356200000000 ] - [ 0.0045469400000000, 0.0142921000000000, 0.0052356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007910200000000 ] - [ 0.0055849500000000, 0.0122011000000000, -0.0258523300000000 ] - [ -0.0133589400000000, -0.0012638400000000, -0.0258523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085189400000000 ] - [ 0.0077739900000000, -0.0109372600000000, -0.0258523300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0037102200000000, 0.0011504300000000, 0.0056189700000000 ] - [ 0.0030950600000000, 0.0001565000000000, 0.0029675300000000 ] - [ 0.0002954800000000, -0.0013912500000000, 0.0005667900000000 ] - [ 0.0001750900000000, 0.0006894800000000, 0.0008967000000000 ] - [ 0.0100324300000000, -0.0146445000000000, -0.0318212400000000 ] - [ 0.0026027200000000, 0.0010923400000000, -0.0034164000000000 ] - [ 0.0020089900000000, -0.0045577100000000, -0.0068801000000000 ] - [ -0.0036443300000000, -0.0028348500000000, -0.0029979600000000 ] - [ -0.0016830600000000, 0.0026021500000000, 0.0029675300000000 ] - [ 0.0010571200000000, 0.0009515100000000, 0.0005667900000000 ] - [ 0.0008588100000000, -0.0037883600000000, 0.0056189700000000 ] - [ -0.0006846500000000, -0.0001931100000000, 0.0008967000000000 ] - [ -0.0013525900000000, 0.0004397300000000, 0.0005667900000000 ] - [ 0.0028514100000000, 0.0026379300000000, 0.0056189700000000 ] - [ -0.0014120000000000, -0.0027586500000000, 0.0029675300000000 ] - [ 0.0005095700000000, -0.0004963700000000, 0.0008967000000000 ] - [ 0.0076663000000000, 0.0160105900000000, -0.0318212400000000 ] - [ 0.0042772200000000, -0.0017386600000000, -0.0029979600000000 ] - [ -0.0022473500000000, 0.0017078600000000, -0.0034164000000000 ] - [ 0.0029426000000000, 0.0040186900000000, -0.0068801000000000 ] - [ -0.0049515900000000, 0.0005390200000000, -0.0068801000000000 ] - [ -0.0176987300000000, -0.0013660900000000, -0.0318212400000000 ] - [ -0.0003553700000000, -0.0028001900000000, -0.0034164000000000 ] - [ -0.0006328900000000, 0.0045735100000000, -0.0029979600000000 ] - [ 0.0005715000000000, -0.0000135700000000, 0.0026647600000000 ] - [ 0.0004883000000000, -0.0000785100000000, 0.0038899400000000 ] - [ 0.0008759500000000, 0.0007556300000000, 0.0033315100000000 ] - [ 0.0001155100000000, 0.0002563100000000, 0.0025526800000000 ] - [ -0.0009385500000000, -0.0000878000000000, 0.0040883200000000 ] - [ -0.0002774700000000, -0.0000341300000000, 0.0025257200000000 ] - [ -0.0006755300000000, 0.0002234200000000, 0.0026665000000000 ] - [ -0.0000953800000000, 0.0008826500000000, 0.0030857000000000 ] - [ -0.0001761600000000, 0.0004621300000000, 0.0038899400000000 ] - [ -0.0010923700000000, 0.0003807800000000, 0.0033315100000000 ] - [ -0.0002739900000000, 0.0005017200000000, 0.0026647600000000 ] - [ -0.0002797300000000, -0.0000281200000000, 0.0025526800000000 ] - [ -0.0003121400000000, -0.0003836200000000, 0.0038899400000000 ] - [ 0.0001642200000000, -0.0002281900000000, 0.0025526800000000 ] - [ 0.0002164200000000, -0.0011364100000000, 0.0033315100000000 ] - [ -0.0002975000000000, -0.0004881400000000, 0.0026647600000000 ] - [ 0.0005453100000000, -0.0007689100000000, 0.0040883200000000 ] - [ -0.0007167100000000, -0.0005239300000000, 0.0030857000000000 ] - [ 0.0001682900000000, -0.0002232300000000, 0.0025257200000000 ] - [ 0.0001442800000000, -0.0006967300000000, 0.0026665000000000 ] - [ 0.0003932400000000, 0.0008567100000000, 0.0040883200000000 ] - [ 0.0005312500000000, 0.0004733200000000, 0.0026665000000000 ] - [ 0.0008120900000000, -0.0003587300000000, 0.0030857000000000 ] - [ 0.0001091800000000, 0.0002573600000000, 0.0025257200000000 ] - [ -0.0020292300000000, 0.0010515300000000, -0.0206720900000000 ] - [ 0.0023655000000000, 0.0013150000000000, -0.0033114900000000 ] - [ 0.0009477400000000, -0.0036923100000000, -0.0057965100000000 ] - [ -0.0031418800000000, -0.0020963500000000, -0.0035076400000000 ] - [ 0.0027908700000000, 0.0001915100000000, 0.0034785900000000 ] - [ -0.0045374600000000, 0.0000405100000000, 0.0071929500000000 ] - [ 0.0001172900000000, 0.0011339200000000, 0.0009090700000000 ] - [ -0.0001619800000000, -0.0006479000000000, 0.0007969300000000 ] - [ 0.0001039600000000, -0.0022831200000000, -0.0206720900000000 ] - [ 0.0033864300000000, -0.0016727700000000, -0.0035076400000000 ] - [ -0.0023215800000000, 0.0013910800000000, -0.0033114900000000 ] - [ 0.0027237600000000, 0.0026669200000000, -0.0057965100000000 ] - [ 0.0019252600000000, 0.0012316000000000, -0.0206720900000000 ] - [ -0.0036715000000000, 0.0010253900000000, -0.0057965100000000 ] - [ -0.0002445600000000, 0.0037691200000000, -0.0035076400000000 ] - [ -0.0000439200000000, -0.0027060900000000, -0.0033114900000000 ] - [ 0.0022336500000000, -0.0039498100000000, 0.0071929500000000 ] - [ -0.0010406400000000, -0.0004653900000000, 0.0009090700000000 ] - [ -0.0015612900000000, 0.0023212100000000, 0.0034785900000000 ] - [ 0.0006420900000000, 0.0001836700000000, 0.0007969300000000 ] - [ 0.0009233600000000, -0.0006685300000000, 0.0009090700000000 ] - [ -0.0012295900000000, -0.0025127200000000, 0.0034785900000000 ] - [ 0.0023038100000000, 0.0039093000000000, 0.0071929500000000 ] - [ -0.0004801100000000, 0.0004642300000000, 0.0007969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1914465000000000 ] - [ -0.0008385300000000, -0.0006257700000000, 0.0096873000000000 ] - [ 0.0009612000000000, -0.0004133000000000, 0.0096873000000000 ] - [ -0.0001226700000000, 0.0010390700000000, 0.0096873000000000 ] - [ 0.0146847900000000, -0.0047662800000000, -0.0032186700000000 ] - [ -0.0114701100000000, -0.0103342600000000, -0.0032186700000000 ] - [ -0.0032146700000000, 0.0151005400000000, -0.0032186700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004170100000000 ] - [ 0.0109924100000000, 0.0039169700000000, -0.0052526700000000 ] - [ -0.0088884000000000, 0.0075612200000000, -0.0052526700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007974700000000 ] - [ -0.0021040100000000, -0.0114781900000000, -0.0052526700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127957700000000 ] - [ -0.0005162300000000, 0.0001570100000000, -0.0031781300000000 ] - [ 0.0001221400000000, -0.0005255800000000, -0.0031781300000000 ] - [ 0.0003940900000000, 0.0003685700000000, -0.0031781300000000 ] - [ 0.0019861300000000, -0.0017407700000000, -0.0052723600000000 ] - [ -0.0025006200000000, -0.0008496500000000, -0.0052723600000000 ] - [ 0.0005144900000000, 0.0025904300000000, -0.0052723600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030207200000000 ] - [ 0.0002735700000000, 0.0001861900000000, -0.0049089900000000 ] - [ -0.0002980300000000, 0.0001438200000000, -0.0049089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039931000000000 ] - [ 0.0000244600000000, -0.0003300100000000, -0.0049089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059866500000000 ] - [ 0.0002747500000000, 0.0000368800000000, -0.0042307700000000 ] - [ -0.0001693200000000, 0.0002195000000000, -0.0042307700000000 ] - [ -0.0001054400000000, -0.0002563800000000, -0.0042307700000000 ] - [ -0.0019087500000000, 0.0008344500000000, -0.0052503700000000 ] - [ 0.0016770300000000, 0.0012358000000000, -0.0052503700000000 ] - [ 0.0002317200000000, -0.0020702500000000, -0.0052503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029620500000000 ] - [ -0.0026159400000000, -0.0013103200000000, -0.0052779300000000 ] - [ 0.0024427400000000, -0.0016103100000000, -0.0052779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030182900000000 ] - [ 0.0001732000000000, 0.0029206300000000, -0.0052779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0588915700000000 ] - [ -0.0010643900000000, -0.0002350600000000, 0.0002473300000000 ] - [ 0.0007357700000000, -0.0008042600000000, 0.0002473300000000 ] - [ 0.0003286300000000, 0.0010393200000000, 0.0002473300000000 ] - [ -0.0101419800000000, 0.0110817900000000, -0.0052254800000000 ] - [ 0.0146681000000000, 0.0032423200000000, -0.0052254800000000 ] - [ -0.0045261200000000, -0.0143241100000000, -0.0052254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008182700000000 ] - [ -0.0054744900000000, -0.0121482300000000, 0.0259385300000000 ] - [ 0.0132579200000000, 0.0013330700000000, 0.0259385300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085278900000000 ] - [ -0.0077834300000000, 0.0108151600000000, 0.0259385300000000 ]