# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4f486060-9d9d-4ca6-a257-08e2f56dd403/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 SnSe / Pnma (62) / materials id 691](https://mdr.nims.go.jp/datasets/9f0fa246-d949-4bf0-835e-d06df61787fb) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 11.437886669999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.147503270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.348816870000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.356662130000000, 0.750000000000000, 0.021045270000000 ] mass: 78.960000 - symbol: Se # 2 coordinates: [ 0.643337870000000, 0.250000000000000, 0.978954730000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.143337870000000, 0.250000000000000, 0.521045270000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.856662130000000, 0.750000000000000, 0.478954730000000 ] mass: 78.960000 - symbol: Sn # 5 coordinates: [ 0.617519480000000, 0.750000000000000, 0.407288300000000 ] mass: 118.710000 - symbol: Sn # 6 coordinates: [ 0.382480520000000, 0.250000000000000, 0.592711700000000 ] mass: 118.710000 - symbol: Sn # 7 coordinates: [ 0.882480520000000, 0.250000000000000, 0.907288300000000 ] mass: 118.710000 - symbol: Sn # 8 coordinates: [ 0.117519480000000, 0.750000000000000, 0.092711700000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ 0.087428738267084, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.241108911771877, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.229947599518027 ] # c*unit_cell: lattice: - [ 11.437886669999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.147503270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.348816870000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.356662130000000, 0.750000000000000, 0.021045270000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.643337870000000, 0.250000000000000, 0.978954730000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.143337870000000, 0.250000000000000, 0.521045270000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.856662130000000, 0.750000000000000, 0.478954730000000 ] mass: 78.960000 reduced_to: 4 - symbol: Sn # 5 coordinates: [ 0.617519480000000, 0.750000000000000, 0.407288300000000 ] mass: 118.710000 reduced_to: 5 - symbol: Sn # 6 coordinates: [ 0.382480520000000, 0.250000000000000, 0.592711700000000 ] mass: 118.710000 reduced_to: 6 - symbol: Sn # 7 coordinates: [ 0.882480520000000, 0.250000000000000, 0.907288300000000 ] mass: 118.710000 reduced_to: 7 - symbol: Sn # 8 coordinates: [ 0.117519480000000, 0.750000000000000, 0.092711700000000 ] mass: 118.710000 reduced_to: 8supercell: lattice: - [ 22.875773339999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.442509809999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.046450610000001 ] # c points: - symbol: Se # 1 coordinates: [ 0.178331065000000, 0.250000000000000, 0.007015090000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.678331065000000, 0.250000000000000, 0.007015090000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 3 coordinates: [ 0.178331065000000, 0.583333333333333, 0.007015090000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 4 coordinates: [ 0.678331065000000, 0.583333333333333, 0.007015090000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 5 coordinates: [ 0.178331065000000, 0.916666666666667, 0.007015090000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 6 coordinates: [ 0.678331065000000, 0.916666666666667, 0.007015090000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 7 coordinates: [ 0.178331065000000, 0.250000000000000, 0.340348423333333 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 8 coordinates: [ 0.678331065000000, 0.250000000000000, 0.340348423333333 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 9 coordinates: [ 0.178331065000000, 0.583333333333333, 0.340348423333333 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 10 coordinates: [ 0.678331065000000, 0.583333333333333, 0.340348423333333 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 11 coordinates: [ 0.178331065000000, 0.916666666666667, 0.340348423333333 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 12 coordinates: [ 0.678331065000000, 0.916666666666667, 0.340348423333333 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 13 coordinates: [ 0.178331065000000, 0.250000000000000, 0.673681756666667 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 14 coordinates: [ 0.678331065000000, 0.250000000000000, 0.673681756666667 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 15 coordinates: [ 0.178331065000000, 0.583333333333333, 0.673681756666667 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 16 coordinates: [ 0.678331065000000, 0.583333333333333, 0.673681756666667 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 17 coordinates: [ 0.178331065000000, 0.916666666666667, 0.673681756666667 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 18 coordinates: [ 0.678331065000000, 0.916666666666667, 0.673681756666667 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 19 coordinates: [ 0.321668935000000, 0.083333333333333, 0.326318243333333 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.821668935000000, 0.083333333333333, 0.326318243333333 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 21 coordinates: [ 0.321668935000000, 0.416666666666667, 0.326318243333333 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 22 coordinates: [ 0.821668935000000, 0.416666666666667, 0.326318243333333 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 23 coordinates: [ 0.321668935000000, 0.750000000000000, 0.326318243333333 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 24 coordinates: [ 0.821668935000000, 0.750000000000000, 0.326318243333333 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 25 coordinates: [ 0.321668935000000, 0.083333333333333, 0.659651576666667 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 26 coordinates: [ 0.821668935000000, 0.083333333333333, 0.659651576666667 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 27 coordinates: [ 0.321668935000000, 0.416666666666667, 0.659651576666667 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 28 coordinates: [ 0.821668935000000, 0.416666666666667, 0.659651576666667 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 29 coordinates: [ 0.321668935000000, 0.750000000000000, 0.659651576666667 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 30 coordinates: [ 0.821668935000000, 0.750000000000000, 0.659651576666667 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 31 coordinates: [ 0.321668935000000, 0.083333333333333, 0.992984910000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 32 coordinates: [ 0.821668935000000, 0.083333333333333, 0.992984910000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 33 coordinates: [ 0.321668935000000, 0.416666666666667, 0.992984910000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 34 coordinates: [ 0.821668935000000, 0.416666666666667, 0.992984910000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 35 coordinates: [ 0.321668935000000, 0.750000000000000, 0.992984910000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 36 coordinates: [ 0.821668935000000, 0.750000000000000, 0.992984910000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 37 coordinates: [ 0.071668935000000, 0.083333333333333, 0.173681756666667 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.571668935000000, 0.083333333333333, 0.173681756666667 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.071668935000000, 0.416666666666667, 0.173681756666667 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.571668935000000, 0.416666666666667, 0.173681756666667 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.071668935000000, 0.750000000000000, 0.173681756666667 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 42 coordinates: [ 0.571668935000000, 0.750000000000000, 0.173681756666667 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 43 coordinates: [ 0.071668935000000, 0.083333333333333, 0.507015090000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 44 coordinates: [ 0.571668935000000, 0.083333333333333, 0.507015090000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 45 coordinates: [ 0.071668935000000, 0.416666666666667, 0.507015090000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 46 coordinates: [ 0.571668935000000, 0.416666666666667, 0.507015090000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 47 coordinates: [ 0.071668935000000, 0.750000000000000, 0.507015090000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 48 coordinates: [ 0.571668935000000, 0.750000000000000, 0.507015090000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 49 coordinates: [ 0.071668935000000, 0.083333333333333, 0.840348423333333 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 50 coordinates: [ 0.571668935000000, 0.083333333333333, 0.840348423333333 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 51 coordinates: [ 0.071668935000000, 0.416666666666667, 0.840348423333333 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 52 coordinates: [ 0.571668935000000, 0.416666666666667, 0.840348423333333 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 53 coordinates: [ 0.071668935000000, 0.750000000000000, 0.840348423333333 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 54 coordinates: [ 0.571668935000000, 0.750000000000000, 0.840348423333333 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 55 coordinates: [ 0.428331065000000, 0.250000000000000, 0.159651576666667 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.928331065000000, 0.250000000000000, 0.159651576666667 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 57 coordinates: [ 0.428331065000000, 0.583333333333333, 0.159651576666667 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 58 coordinates: [ 0.928331065000000, 0.583333333333333, 0.159651576666667 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 59 coordinates: [ 0.428331065000000, 0.916666666666667, 0.159651576666667 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 60 coordinates: [ 0.928331065000000, 0.916666666666667, 0.159651576666667 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 61 coordinates: [ 0.428331065000000, 0.250000000000000, 0.492984910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 62 coordinates: [ 0.928331065000000, 0.250000000000000, 0.492984910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 63 coordinates: [ 0.428331065000000, 0.583333333333333, 0.492984910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 64 coordinates: [ 0.928331065000000, 0.583333333333333, 0.492984910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 65 coordinates: [ 0.428331065000000, 0.916666666666667, 0.492984910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 66 coordinates: [ 0.928331065000000, 0.916666666666667, 0.492984910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 67 coordinates: [ 0.428331065000000, 0.250000000000000, 0.826318243333333 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 68 coordinates: [ 0.928331065000000, 0.250000000000000, 0.826318243333333 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 69 coordinates: [ 0.428331065000000, 0.583333333333333, 0.826318243333333 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 70 coordinates: [ 0.928331065000000, 0.583333333333333, 0.826318243333333 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 71 coordinates: [ 0.428331065000000, 0.916666666666667, 0.826318243333333 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 72 coordinates: [ 0.928331065000000, 0.916666666666667, 0.826318243333333 ] mass: 78.960000 reduced_to: 55 - symbol: Sn # 73 coordinates: [ 0.308759740000000, 0.250000000000000, 0.135762766666667 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 74 coordinates: [ 0.808759740000000, 0.250000000000000, 0.135762766666667 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 75 coordinates: [ 0.308759740000000, 0.583333333333333, 0.135762766666667 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 76 coordinates: [ 0.808759740000000, 0.583333333333333, 0.135762766666667 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 77 coordinates: [ 0.308759740000000, 0.916666666666667, 0.135762766666667 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 78 coordinates: [ 0.808759740000000, 0.916666666666667, 0.135762766666667 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 79 coordinates: [ 0.308759740000000, 0.250000000000000, 0.469096100000000 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 80 coordinates: [ 0.808759740000000, 0.250000000000000, 0.469096100000000 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 81 coordinates: [ 0.308759740000000, 0.583333333333333, 0.469096100000000 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 82 coordinates: [ 0.808759740000000, 0.583333333333333, 0.469096100000000 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 83 coordinates: [ 0.308759740000000, 0.916666666666667, 0.469096100000000 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 84 coordinates: [ 0.808759740000000, 0.916666666666667, 0.469096100000000 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 85 coordinates: [ 0.308759740000000, 0.250000000000000, 0.802429433333333 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 86 coordinates: [ 0.808759740000000, 0.250000000000000, 0.802429433333333 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 87 coordinates: [ 0.308759740000000, 0.583333333333333, 0.802429433333333 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 88 coordinates: [ 0.808759740000000, 0.583333333333333, 0.802429433333333 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 89 coordinates: [ 0.308759740000000, 0.916666666666667, 0.802429433333333 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 90 coordinates: [ 0.808759740000000, 0.916666666666667, 0.802429433333333 ] mass: 118.710000 reduced_to: 73 - symbol: Sn # 91 coordinates: [ 0.191240260000000, 0.083333333333333, 0.197570566666667 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 92 coordinates: [ 0.691240260000000, 0.083333333333333, 0.197570566666667 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 93 coordinates: [ 0.191240260000000, 0.416666666666667, 0.197570566666667 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 94 coordinates: [ 0.691240260000000, 0.416666666666667, 0.197570566666667 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 95 coordinates: [ 0.191240260000000, 0.750000000000000, 0.197570566666667 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 96 coordinates: [ 0.691240260000000, 0.750000000000000, 0.197570566666667 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 97 coordinates: [ 0.191240260000000, 0.083333333333333, 0.530903900000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 98 coordinates: [ 0.691240260000000, 0.083333333333333, 0.530903900000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 99 coordinates: [ 0.191240260000000, 0.416666666666667, 0.530903900000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 100 coordinates: [ 0.691240260000000, 0.416666666666667, 0.530903900000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 101 coordinates: [ 0.191240260000000, 0.750000000000000, 0.530903900000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 102 coordinates: [ 0.691240260000000, 0.750000000000000, 0.530903900000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 103 coordinates: [ 0.191240260000000, 0.083333333333333, 0.864237233333333 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 104 coordinates: [ 0.691240260000000, 0.083333333333333, 0.864237233333333 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 105 coordinates: [ 0.191240260000000, 0.416666666666667, 0.864237233333333 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 106 coordinates: [ 0.691240260000000, 0.416666666666667, 0.864237233333333 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 107 coordinates: [ 0.191240260000000, 0.750000000000000, 0.864237233333333 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 108 coordinates: [ 0.691240260000000, 0.750000000000000, 0.864237233333333 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 109 coordinates: [ 0.441240260000000, 0.083333333333333, 0.302429433333333 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 110 coordinates: [ 0.941240260000000, 0.083333333333333, 0.302429433333333 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 111 coordinates: [ 0.441240260000000, 0.416666666666667, 0.302429433333333 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 112 coordinates: [ 0.941240260000000, 0.416666666666667, 0.302429433333333 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 113 coordinates: [ 0.441240260000000, 0.750000000000000, 0.302429433333333 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 114 coordinates: [ 0.941240260000000, 0.750000000000000, 0.302429433333333 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 115 coordinates: [ 0.441240260000000, 0.083333333333333, 0.635762766666667 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 116 coordinates: [ 0.941240260000000, 0.083333333333333, 0.635762766666667 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 117 coordinates: [ 0.441240260000000, 0.416666666666667, 0.635762766666667 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 118 coordinates: [ 0.941240260000000, 0.416666666666667, 0.635762766666667 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 119 coordinates: [ 0.441240260000000, 0.750000000000000, 0.635762766666667 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 120 coordinates: [ 0.941240260000000, 0.750000000000000, 0.635762766666667 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 121 coordinates: [ 0.441240260000000, 0.083333333333333, 0.969096100000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 122 coordinates: [ 0.941240260000000, 0.083333333333333, 0.969096100000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 123 coordinates: [ 0.441240260000000, 0.416666666666667, 0.969096100000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 124 coordinates: [ 0.941240260000000, 0.416666666666667, 0.969096100000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 125 coordinates: [ 0.441240260000000, 0.750000000000000, 0.969096100000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 126 coordinates: [ 0.941240260000000, 0.750000000000000, 0.969096100000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 127 coordinates: [ 0.058759740000000, 0.250000000000000, 0.030903900000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 128 coordinates: [ 0.558759740000000, 0.250000000000000, 0.030903900000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 129 coordinates: [ 0.058759740000000, 0.583333333333333, 0.030903900000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 130 coordinates: [ 0.558759740000000, 0.583333333333333, 0.030903900000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 131 coordinates: [ 0.058759740000000, 0.916666666666667, 0.030903900000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 132 coordinates: [ 0.558759740000000, 0.916666666666667, 0.030903900000000 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 133 coordinates: [ 0.058759740000000, 0.250000000000000, 0.364237233333333 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 134 coordinates: [ 0.558759740000000, 0.250000000000000, 0.364237233333333 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 135 coordinates: [ 0.058759740000000, 0.583333333333333, 0.364237233333333 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 136 coordinates: [ 0.558759740000000, 0.583333333333333, 0.364237233333333 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 137 coordinates: [ 0.058759740000000, 0.916666666666667, 0.364237233333333 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 138 coordinates: [ 0.558759740000000, 0.916666666666667, 0.364237233333333 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 139 coordinates: [ 0.058759740000000, 0.250000000000000, 0.697570566666667 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 140 coordinates: [ 0.558759740000000, 0.250000000000000, 0.697570566666667 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 141 coordinates: [ 0.058759740000000, 0.583333333333333, 0.697570566666667 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 142 coordinates: [ 0.558759740000000, 0.583333333333333, 0.697570566666667 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 143 coordinates: [ 0.058759740000000, 0.916666666666667, 0.697570566666667 ] mass: 118.710000 reduced_to: 127 - symbol: Sn # 144 coordinates: [ 0.558759740000000, 0.916666666666667, 0.697570566666667 ] mass: 118.710000 reduced_to: 127born_effective_charge:- # 1 (Se) - [ -4.310144740000000, 0.000000000000000, 0.877117910000000 ] - [ 0.000000000000000, -4.788736560000000, 0.000000000000000 ] - [ 0.423013090000000, 0.000000000000000, -3.794568980000000 ]- # 2 (Se) - [ -4.310144740000000, 0.000000000000000, 0.877117910000000 ] - [ 0.000000000000000, -4.788736560000000, 0.000000000000000 ] - [ 0.423013090000000, 0.000000000000000, -3.794568980000000 ]- # 3 (Se) - [ -4.310144740000000, 0.000000000000000, -0.877117910000000 ] - [ 0.000000000000000, -4.788736560000000, 0.000000000000000 ] - [ -0.423013090000000, 0.000000000000000, -3.794568980000000 ]- # 4 (Se) - [ -4.310144740000000, 0.000000000000000, -0.877117910000000 ] - [ 0.000000000000000, -4.788736560000000, 0.000000000000000 ] - [ -0.423013090000000, 0.000000000000000, -3.794568980000000 ]- # 5 (Sn) - [ 4.310144740000000, 0.000000000000000, -0.217447210000000 ] - [ 0.000000000000000, 4.788736560000000, 0.000000000000000 ] - [ 0.557120030000000, 0.000000000000000, 3.794568970000000 ]- # 6 (Sn) - [ 4.310144740000000, 0.000000000000000, -0.217447210000000 ] - [ 0.000000000000000, 4.788736560000000, 0.000000000000000 ] - [ 0.557120030000000, 0.000000000000000, 3.794568970000000 ]- # 7 (Sn) - [ 4.310144740000000, 0.000000000000000, 0.217447210000000 ] - [ 0.000000000000000, 4.788736560000000, 0.000000000000000 ] - [ -0.557120030000000, 0.000000000000000, 3.794568970000000 ]- # 8 (Sn) - [ 4.310144740000000, 0.000000000000000, 0.217447210000000 ] - [ 0.000000000000000, 4.788736560000000, 0.000000000000000 ] - [ -0.557120030000000, 0.000000000000000, 3.794568970000000 ]dielectric_constant: - [ 30.676272130000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 27.701949590000002, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 28.540245339999998 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0335490900000000, 0.0000000000000000, 0.0103266300000000 ] - [ 0.0149390900000000, 0.0000000000000000, 0.0066342800000000 ] - [ 0.0130492800000000, 0.0002262500000000, 0.0073729000000000 ] - [ 0.0137713800000000, 0.0000135000000000, 0.0067936500000000 ] - [ 0.0130492800000000, -0.0002262500000000, 0.0073729000000000 ] - [ 0.0137713800000000, -0.0000135000000000, 0.0067936500000000 ] - [ 0.0133932400000000, 0.0000000000000000, 0.0068041500000000 ] - [ 0.0137537500000000, 0.0000000000000000, 0.0067961200000000 ] - [ 0.0131604200000000, 0.0002774900000000, 0.0070446300000000 ] - [ 0.0138563200000000, -0.0000541400000000, 0.0067483600000000 ] - [ 0.0131604200000000, -0.0002774900000000, 0.0070446300000000 ] - [ 0.0138563200000000, 0.0000541400000000, 0.0067483600000000 ] - [ 0.0133968400000000, 0.0000000000000000, 0.0069902400000000 ] - [ 0.0137580900000000, 0.0000000000000000, 0.0067993800000000 ] - [ 0.0131643800000000, 0.0008862500000000, 0.0057500600000000 ] - [ 0.0138603800000000, -0.0000165600000000, 0.0067763800000000 ] - [ 0.0131643800000000, -0.0008862500000000, 0.0057500600000000 ] - [ 0.0138603800000000, 0.0000165600000000, 0.0067763800000000 ] - [ -0.0134855100000000, -0.0005724800000000, -0.0061671200000000 ] - [ -0.0133230000000000, 0.0002598600000000, -0.0070933900000000 ] - [ -0.0134855100000000, 0.0005724800000000, -0.0061671200000000 ] - [ -0.0133230000000000, -0.0002598600000000, -0.0070933900000000 ] - [ -0.0133377800000000, 0.0000000000000000, -0.0071350600000000 ] - [ -0.0134547000000000, 0.0000000000000000, -0.0068643900000000 ] - [ -0.0129898000000000, -0.0002054600000000, -0.0074182100000000 ] - [ -0.0134081000000000, 0.0000040400000000, -0.0068207200000000 ] - [ -0.0129898000000000, 0.0002054600000000, -0.0074182100000000 ] - [ -0.0134081000000000, -0.0000040400000000, -0.0068207200000000 ] - [ -0.0134520800000000, 0.0000000000000000, -0.0069933700000000 ] - [ -0.0132482100000000, 0.0000000000000000, -0.0067792800000000 ] - [ -0.0110967600000000, -0.0009345200000000, -0.0069574100000000 ] - [ -0.0124625200000000, -0.0001545400000000, -0.0070160900000000 ] - [ -0.0110967600000000, 0.0009345200000000, -0.0069574100000000 ] - [ -0.0124625200000000, 0.0001545400000000, -0.0070160900000000 ] - [ -0.0135206700000000, 0.0000000000000000, -0.0066243700000000 ] - [ -0.0134512100000000, 0.0000000000000000, -0.0068417800000000 ] - [ -0.0135545800000000, 0.0018761300000000, 0.0051000500000000 ] - [ -0.0131207300000000, -0.0000542500000000, 0.0069057700000000 ] - [ -0.0135545800000000, -0.0018761300000000, 0.0051000500000000 ] - [ -0.0131207300000000, 0.0000542500000000, 0.0069057700000000 ] - [ -0.0139349400000000, 0.0000000000000000, 0.0067577400000000 ] - [ -0.0132341100000000, 0.0000000000000000, 0.0068891400000000 ] - [ -0.0138701200000000, -0.0000239800000000, 0.0067389600000000 ] - [ -0.0132465900000000, 0.0000078300000000, 0.0068683300000000 ] - [ -0.0138701200000000, 0.0000239800000000, 0.0067389600000000 ] - [ -0.0132465900000000, -0.0000078300000000, 0.0068683300000000 ] - [ -0.0142057400000000, 0.0000000000000000, 0.0067670800000000 ] - [ -0.0131672100000000, 0.0000000000000000, 0.0068812500000000 ] - [ -0.0135513100000000, 0.0023052900000000, 0.0092632600000000 ] - [ -0.0131182900000000, -0.0000137000000000, 0.0068507600000000 ] - [ -0.0135513100000000, -0.0023052900000000, 0.0092632600000000 ] - [ -0.0131182900000000, 0.0000137000000000, 0.0068507600000000 ] - [ -0.0139296900000000, 0.0000000000000000, 0.0067235600000000 ] - [ -0.0132305300000000, 0.0000000000000000, 0.0068669500000000 ] - [ 0.0163560500000000, 0.0000000000000000, -0.0067712500000000 ] - [ 0.0163190500000000, 0.0000000000000000, -0.0075093100000000 ] - [ 0.0135916000000000, 0.0001643100000000, -0.0067069100000000 ] - [ 0.0135969300000000, -0.0003140600000000, -0.0070661800000000 ] - [ 0.0135916000000000, -0.0001643100000000, -0.0067069100000000 ] - [ 0.0135969300000000, 0.0003140600000000, -0.0070661800000000 ] - [ 0.0135749700000000, 0.0000000000000000, -0.0068999000000000 ] - [ 0.0135781600000000, 0.0000000000000000, -0.0069378100000000 ] - [ 0.0136810100000000, 0.0000955500000000, -0.0068009000000000 ] - [ 0.0136837100000000, 0.0000701300000000, -0.0067979900000000 ] - [ 0.0136810100000000, -0.0000955500000000, -0.0068009000000000 ] - [ 0.0136837100000000, -0.0000701300000000, -0.0067979900000000 ] - [ 0.0136495700000000, 0.0000000000000000, -0.0067775600000000 ] - [ 0.0136421000000000, 0.0000000000000000, -0.0068798600000000 ] - [ 0.0139145900000000, 0.0001469200000000, -0.0069766400000000 ] - [ 0.0139210600000000, -0.0007464500000000, -0.0061846600000000 ] - [ 0.0139145900000000, -0.0001469200000000, -0.0069766400000000 ] - [ 0.0139210600000000, 0.0007464500000000, -0.0061846600000000 ] - [ 0.0032897000000000, 0.0000000000000000, 0.0065779800000000 ] - [ 0.0033244100000000, 0.0000000000000000, 0.0075249800000000 ] - [ 0.0047314400000000, -0.0001868600000000, 0.0074524700000000 ] - [ 0.0041937900000000, 0.0001719700000000, 0.0078468400000000 ] - [ 0.0047314400000000, 0.0001868600000000, 0.0074524700000000 ] - [ 0.0041937900000000, -0.0001719700000000, 0.0078468400000000 ] - [ 0.0045214300000000, 0.0000000000000000, 0.0076954800000000 ] - [ 0.0042300200000000, 0.0000000000000000, 0.0079273600000000 ] - [ 0.0045045500000000, -0.0002309900000000, 0.0079100900000000 ] - [ 0.0042606900000000, 0.0000519200000000, 0.0078145300000000 ] - [ 0.0045045500000000, 0.0002309900000000, 0.0079100900000000 ] - [ 0.0042606900000000, -0.0000519200000000, 0.0078145300000000 ] - [ 0.0043677300000000, 0.0000000000000000, 0.0082208100000000 ] - [ 0.0040189200000000, 0.0000000000000000, 0.0073716500000000 ] - [ 0.0040570600000000, -0.0004344000000000, 0.0077672500000000 ] - [ 0.0040074000000000, -0.0000622700000000, 0.0075674600000000 ] - [ 0.0040570600000000, 0.0004344000000000, 0.0077672500000000 ] - [ 0.0040074000000000, 0.0000622700000000, 0.0075674600000000 ] - [ -0.0044809300000000, 0.0000926200000000, -0.0076576400000000 ] - [ -0.0049490700000000, -0.0001336600000000, -0.0074662700000000 ] - [ -0.0044809300000000, -0.0000926200000000, -0.0076576400000000 ] - [ -0.0049490700000000, 0.0001336600000000, -0.0074662700000000 ] - [ -0.0041329500000000, 0.0000000000000000, -0.0076285300000000 ] - [ -0.0047520800000000, 0.0000000000000000, -0.0075538500000000 ] - [ -0.0040631400000000, -0.0002066700000000, -0.0074843400000000 ] - [ -0.0047243100000000, 0.0000038900000000, -0.0077305900000000 ] - [ -0.0040631400000000, 0.0002066700000000, -0.0074843400000000 ] - [ -0.0047243100000000, -0.0000038900000000, -0.0077305900000000 ] - [ -0.0040100500000000, 0.0000000000000000, -0.0073811500000000 ] - [ -0.0047512200000000, 0.0000000000000000, -0.0077539200000000 ] - [ -0.0013346800000000, -0.0005223200000000, -0.0089316400000000 ] - [ -0.0048769300000000, 0.0000886100000000, -0.0077859100000000 ] - [ -0.0013346800000000, 0.0005223200000000, -0.0089316400000000 ] - [ -0.0048769300000000, -0.0000886100000000, -0.0077859100000000 ] - [ -0.0039980800000000, 0.0000000000000000, -0.0078270700000000 ] - [ -0.0047265900000000, 0.0000000000000000, -0.0077620600000000 ] - [ -0.0047242500000000, 0.0002895900000000, 0.0072382300000000 ] - [ -0.0043896900000000, -0.0005448300000000, 0.0080168400000000 ] - [ -0.0047242500000000, -0.0002895900000000, 0.0072382300000000 ] - [ -0.0043896900000000, 0.0005448300000000, 0.0080168400000000 ] - [ -0.0046593300000000, 0.0000000000000000, 0.0075127400000000 ] - [ -0.0043503100000000, 0.0000000000000000, 0.0078071300000000 ] - [ -0.0048366300000000, -0.0001012600000000, 0.0077791100000000 ] - [ -0.0044025200000000, 0.0000964000000000, 0.0076528300000000 ] - [ -0.0048366300000000, 0.0001012600000000, 0.0077791100000000 ] - [ -0.0044025200000000, -0.0000964000000000, 0.0076528300000000 ] - [ -0.0046609600000000, 0.0000000000000000, 0.0077453100000000 ] - [ -0.0044871600000000, 0.0000000000000000, 0.0072238500000000 ] - [ -0.0053827600000000, 0.0000524500000000, 0.0081135400000000 ] - [ -0.0055379200000000, -0.0014339500000000, 0.0068532300000000 ] - [ -0.0053827600000000, -0.0000524500000000, 0.0081135400000000 ] - [ -0.0055379200000000, 0.0014339500000000, 0.0068532300000000 ] - [ -0.0046110500000000, 0.0000000000000000, 0.0076524100000000 ] - [ -0.0043574900000000, 0.0000000000000000, 0.0080734700000000 ] - [ 0.0362174900000000, 0.0000000000000000, -0.0070585300000000 ] - [ 0.0036164000000000, 0.0000000000000000, -0.0075947400000000 ] - [ 0.0050316600000000, 0.0003933800000000, -0.0079239500000000 ] - [ 0.0041123400000000, -0.0000859400000000, -0.0077976600000000 ] - [ 0.0050316600000000, -0.0003933800000000, -0.0079239500000000 ] - [ 0.0041123400000000, 0.0000859400000000, -0.0077976600000000 ] - [ 0.0047790100000000, 0.0000000000000000, -0.0074544400000000 ] - [ 0.0041091800000000, 0.0000000000000000, -0.0078348800000000 ] - [ 0.0048545900000000, 0.0001763800000000, -0.0073882400000000 ] - [ 0.0041156900000000, -0.0000224100000000, -0.0078024100000000 ] - [ 0.0048545900000000, -0.0001763800000000, -0.0073882400000000 ] - [ 0.0041156900000000, 0.0000224100000000, -0.0078024100000000 ] - [ 0.0048584300000000, 0.0000000000000000, -0.0078849000000000 ] - [ 0.0041806000000000, 0.0000000000000000, -0.0075382900000000 ] - [ 0.0053495200000000, 0.0005847200000000, -0.0079156700000000 ] - [ 0.0041298600000000, -0.0000361500000000, -0.0074766700000000 ] - [ 0.0053495200000000, -0.0005847200000000, -0.0079156700000000 ] - [ 0.0041298600000000, 0.0000361500000000, -0.0074766700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0621360000000000, 0.0000000000000000, 0.0030836100000000 ] - [ 0.0121115500000000, 0.0000000000000000, 0.0070186000000000 ] - [ 0.0139975100000000, -0.0002324600000000, 0.0062739000000000 ] - [ 0.0132764500000000, -0.0000133900000000, 0.0068584700000000 ] - [ 0.0139975100000000, 0.0002324600000000, 0.0062739000000000 ] - [ 0.0132764500000000, 0.0000133900000000, 0.0068584700000000 ] - [ 0.0136436500000000, 0.0000000000000000, 0.0068457400000000 ] - [ 0.0132871400000000, 0.0000000000000000, 0.0068505600000000 ] - [ 0.0138787800000000, -0.0002854800000000, 0.0065976800000000 ] - [ 0.0131845700000000, 0.0000551200000000, 0.0068989700000000 ] - [ 0.0138787800000000, 0.0002854800000000, 0.0065976800000000 ] - [ 0.0131845700000000, -0.0000551200000000, 0.0068989700000000 ] - [ 0.0136473600000000, 0.0000000000000000, 0.0066633200000000 ] - [ 0.0132915200000000, 0.0000000000000000, 0.0068491900000000 ] - [ 0.0138829200000000, -0.0009013400000000, 0.0079204100000000 ] - [ 0.0131885300000000, 0.0000178300000000, 0.0068712900000000 ] - [ 0.0138829200000000, 0.0009013400000000, 0.0079204100000000 ] - [ 0.0131885300000000, -0.0000178300000000, 0.0068712900000000 ] - [ -0.0135760600000000, 0.0005698600000000, -0.0074812500000000 ] - [ -0.0137214700000000, -0.0002616800000000, -0.0065527000000000 ] - [ -0.0135760600000000, -0.0005698600000000, -0.0074812500000000 ] - [ -0.0137214700000000, 0.0002616800000000, -0.0065527000000000 ] - [ -0.0137150200000000, 0.0000000000000000, -0.0065113700000000 ] - [ -0.0135920800000000, 0.0000000000000000, -0.0067849100000000 ] - [ -0.0140569800000000, 0.0001983400000000, -0.0062309800000000 ] - [ -0.0136305800000000, -0.0000056500000000, -0.0068268600000000 ] - [ -0.0140569800000000, -0.0001983400000000, -0.0062309800000000 ] - [ -0.0136305800000000, 0.0000056500000000, -0.0068268600000000 ] - [ -0.0135969300000000, 0.0000000000000000, -0.0066456900000000 ] - [ -0.0137915400000000, 0.0000000000000000, -0.0068665200000000 ] - [ -0.0159010500000000, 0.0009158100000000, -0.0066953300000000 ] - [ -0.0145973000000000, 0.0001571000000000, -0.0066343000000000 ] - [ -0.0159010500000000, -0.0009158100000000, -0.0066953300000000 ] - [ -0.0145973000000000, -0.0001571000000000, -0.0066343000000000 ] - [ -0.0135304400000000, 0.0000000000000000, -0.0070291900000000 ] - [ -0.0135936400000000, 0.0000000000000000, -0.0068110900000000 ] - [ -0.0134919000000000, -0.0018757700000000, 0.0085489400000000 ] - [ -0.0139253800000000, 0.0000528600000000, 0.0067452200000000 ] - [ -0.0134919000000000, 0.0018757700000000, 0.0085489400000000 ] - [ -0.0139253800000000, -0.0000528600000000, 0.0067452200000000 ] - [ -0.0131118000000000, 0.0000000000000000, 0.0068922100000000 ] - [ -0.0138148000000000, 0.0000000000000000, 0.0067611600000000 ] - [ -0.0131752600000000, 0.0000250600000000, 0.0069152900000000 ] - [ -0.0138018700000000, -0.0000083600000000, 0.0067843600000000 ] - [ -0.0131752600000000, -0.0000250600000000, 0.0069152900000000 ] - [ -0.0138018700000000, 0.0000083600000000, 0.0067843600000000 ] - [ -0.0128386100000000, 0.0000000000000000, 0.0068903800000000 ] - [ -0.0138810200000000, 0.0000000000000000, 0.0067716500000000 ] - [ -0.0134884500000000, -0.0023212900000000, 0.0043686800000000 ] - [ -0.0139228600000000, 0.0000120900000000, 0.0067946400000000 ] - [ -0.0134884500000000, 0.0023212900000000, 0.0043686800000000 ] - [ -0.0139228600000000, -0.0000120900000000, 0.0067946400000000 ] - [ -0.0131065200000000, 0.0000000000000000, 0.0069239300000000 ] - [ -0.0138109300000000, 0.0000000000000000, 0.0067780800000000 ] - [ 0.0107349200000000, 0.0000000000000000, -0.0068737900000000 ] - [ 0.0106979200000000, 0.0000000000000000, -0.0061396400000000 ] - [ 0.0134456200000000, -0.0001630000000000, -0.0069374600000000 ] - [ 0.0134504300000000, 0.0003139700000000, -0.0065799400000000 ] - [ 0.0134456200000000, 0.0001630000000000, -0.0069374600000000 ] - [ 0.0134504300000000, -0.0003139700000000, -0.0065799400000000 ] - [ 0.0134690400000000, 0.0000000000000000, -0.0067525000000000 ] - [ 0.0134719200000000, 0.0000000000000000, -0.0067174800000000 ] - [ 0.0133624500000000, -0.0000957800000000, -0.0068507500000000 ] - [ 0.0133647500000000, -0.0000702000000000, -0.0068546600000000 ] - [ 0.0133624500000000, 0.0000957800000000, -0.0068507500000000 ] - [ 0.0133647500000000, 0.0000702000000000, -0.0068546600000000 ] - [ 0.0134078400000000, 0.0000000000000000, -0.0068672700000000 ] - [ 0.0134000400000000, 0.0000000000000000, -0.0067683200000000 ] - [ 0.0131266600000000, -0.0001439200000000, -0.0066770300000000 ] - [ 0.0131330800000000, 0.0007528000000000, -0.0074723500000000 ] - [ 0.0131266600000000, 0.0001439200000000, -0.0066770300000000 ] - [ 0.0131330800000000, -0.0007528000000000, -0.0074723500000000 ] - [ 0.0056484000000000, 0.0000000000000000, 0.0089536500000000 ] - [ 0.0055779600000000, 0.0000000000000000, 0.0079829700000000 ] - [ 0.0041752400000000, 0.0001857500000000, 0.0080515400000000 ] - [ 0.0047043100000000, -0.0001748300000000, 0.0076557700000000 ] - [ 0.0041752400000000, -0.0001857500000000, 0.0080515400000000 ] - [ 0.0047043100000000, 0.0001748300000000, 0.0076557700000000 ] - [ 0.0043730000000000, 0.0000000000000000, 0.0078303500000000 ] - [ 0.0046569700000000, 0.0000000000000000, 0.0075985700000000 ] - [ 0.0043884600000000, 0.0002274200000000, 0.0076151600000000 ] - [ 0.0046277100000000, -0.0000519000000000, 0.0077137400000000 ] - [ 0.0043884600000000, -0.0002274200000000, 0.0076151600000000 ] - [ 0.0046277100000000, 0.0000519000000000, 0.0077137400000000 ] - [ 0.0045866000000000, 0.0000000000000000, 0.0068788300000000 ] - [ 0.0049201500000000, 0.0000000000000000, 0.0077209000000000 ] - [ 0.0048898600000000, 0.0004358900000000, 0.0073216200000000 ] - [ 0.0049270200000000, 0.0000623000000000, 0.0075209300000000 ] - [ 0.0048898600000000, -0.0004358900000000, 0.0073216200000000 ] - [ 0.0049270200000000, -0.0000623000000000, 0.0075209300000000 ] - [ -0.0044548100000000, -0.0000730000000000, -0.0074468900000000 ] - [ -0.0039890900000000, 0.0001366100000000, -0.0076252800000000 ] - [ -0.0044548100000000, 0.0000730000000000, -0.0074468900000000 ] - [ -0.0039890900000000, -0.0001366100000000, -0.0076252800000000 ] - [ -0.0048019800000000, 0.0000000000000000, -0.0074600600000000 ] - [ -0.0041842000000000, 0.0000000000000000, -0.0075335000000000 ] - [ -0.0048267500000000, 0.0002097900000000, -0.0080499800000000 ] - [ -0.0041650900000000, -0.0000044000000000, -0.0077967400000000 ] - [ -0.0048267500000000, -0.0002097900000000, -0.0080499800000000 ] - [ -0.0041650900000000, 0.0000044000000000, -0.0077967400000000 ] - [ -0.0048805000000000, 0.0000000000000000, -0.0081547200000000 ] - [ -0.0041362400000000, 0.0000000000000000, -0.0077727300000000 ] - [ -0.0075991800000000, 0.0005299200000000, -0.0065455800000000 ] - [ -0.0040211100000000, -0.0000868800000000, -0.0077178500000000 ] - [ -0.0075991800000000, -0.0005299200000000, -0.0065455800000000 ] - [ -0.0040211100000000, 0.0000868800000000, -0.0077178500000000 ] - [ -0.0049052900000000, 0.0000000000000000, -0.0076815600000000 ] - [ -0.0041722200000000, 0.0000000000000000, -0.0077436200000000 ] - [ -0.0042066200000000, -0.0002803300000000, 0.0078412600000000 ] - [ -0.0045557900000000, 0.0005471200000000, 0.0070702700000000 ] - [ -0.0042066200000000, 0.0002803300000000, 0.0078412600000000 ] - [ -0.0045557900000000, -0.0005471200000000, 0.0070702700000000 ] - [ -0.0042740400000000, 0.0000000000000000, 0.0075731300000000 ] - [ -0.0045881000000000, 0.0000000000000000, 0.0072801500000000 ] - [ -0.0040595400000000, 0.0001043100000000, 0.0077277200000000 ] - [ -0.0045016900000000, -0.0000986600000000, 0.0078538300000000 ] - [ -0.0040595400000000, -0.0001043100000000, 0.0077277200000000 ] - [ -0.0045016900000000, 0.0000986600000000, 0.0078538300000000 ] - [ -0.0042313200000000, 0.0000000000000000, 0.0077609200000000 ] - [ -0.0044141300000000, 0.0000000000000000, 0.0082847500000000 ] - [ -0.0035122500000000, -0.0000478800000000, 0.0074197000000000 ] - [ -0.0033341200000000, 0.0014641500000000, 0.0086914200000000 ] - [ -0.0035122500000000, 0.0000478800000000, 0.0074197000000000 ] - [ -0.0033341200000000, -0.0014641500000000, 0.0086914200000000 ] - [ -0.0042762600000000, 0.0000000000000000, 0.0078746400000000 ] - [ -0.0045371800000000, 0.0000000000000000, 0.0074520500000000 ] - [ -0.0289589200000000, 0.0000000000000000, -0.0082830800000000 ] - [ 0.0052653300000000, 0.0000000000000000, -0.0079311800000000 ] - [ 0.0038516400000000, -0.0003873600000000, -0.0076053500000000 ] - [ 0.0047799300000000, 0.0000814200000000, -0.0077294900000000 ] - [ 0.0038516400000000, 0.0003873600000000, -0.0076053500000000 ] - [ 0.0047799300000000, -0.0000814200000000, -0.0077294900000000 ] - [ 0.0041201800000000, 0.0000000000000000, -0.0080508700000000 ] - [ 0.0047908100000000, 0.0000000000000000, -0.0076758000000000 ] - [ 0.0040427800000000, -0.0001775000000000, -0.0081206000000000 ] - [ 0.0047863000000000, 0.0000207800000000, -0.0077055900000000 ] - [ 0.0040427800000000, 0.0001775000000000, -0.0081206000000000 ] - [ 0.0047863000000000, -0.0000207800000000, -0.0077055900000000 ] - [ 0.0040727300000000, 0.0000000000000000, -0.0072086900000000 ] - [ 0.0047553000000000, 0.0000000000000000, -0.0075444000000000 ] - [ 0.0035788700000000, -0.0005835900000000, -0.0071723600000000 ] - [ 0.0048100400000000, 0.0000344000000000, -0.0076071500000000 ] - [ 0.0035788700000000, 0.0005835900000000, -0.0071723600000000 ] - [ 0.0048100400000000, -0.0000344000000000, -0.0076071500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0134352400000000, -0.0437642000000000, 0.0072484700000000 ] - [ 0.0135286800000000, -0.0000121600000000, 0.0068264100000000 ] - [ 0.0132973700000000, 0.0026658500000000, 0.0068326500000000 ] - [ 0.0135130100000000, 0.0000328500000000, 0.0068020600000000 ] - [ 0.0137561600000000, 0.0025975600000000, 0.0067931900000000 ] - [ 0.0135393500000000, 0.0000329500000000, 0.0068501900000000 ] - [ 0.0135194000000000, -0.0008902800000000, 0.0068230800000000 ] - [ 0.0135230800000000, 0.0000058700000000, 0.0068233900000000 ] - [ 0.0126238000000000, 0.0028068400000000, 0.0084494700000000 ] - [ 0.0135410700000000, 0.0000010900000000, 0.0068111800000000 ] - [ 0.0144113000000000, 0.0027882300000000, 0.0052132800000000 ] - [ 0.0135061400000000, 0.0000016200000000, 0.0068350700000000 ] - [ 0.0135269200000000, -0.0008898400000000, 0.0068227500000000 ] - [ 0.0135271900000000, 0.0000054000000000, 0.0068246000000000 ] - [ 0.0132467500000000, 0.0027955400000000, 0.0043979000000000 ] - [ 0.0135820400000000, 0.0000017000000000, 0.0068209300000000 ] - [ 0.0138097000000000, 0.0027989900000000, 0.0092563900000000 ] - [ 0.0134726400000000, 0.0000014700000000, 0.0068287600000000 ] - [ -0.0140960600000000, 0.0001963200000000, -0.0072347200000000 ] - [ -0.0132664000000000, 0.0000370300000000, -0.0068407700000000 ] - [ -0.0129535300000000, 0.0001910500000000, -0.0064205000000000 ] - [ -0.0137881000000000, 0.0000370200000000, -0.0068096100000000 ] - [ -0.0135264800000000, 0.0000599100000000, -0.0068263900000000 ] - [ -0.0135269200000000, 0.0000958200000000, -0.0068246100000000 ] - [ -0.0137236400000000, -0.0001302600000000, -0.0070013800000000 ] - [ -0.0135182800000000, 0.0000201300000000, -0.0068380400000000 ] - [ -0.0133201400000000, -0.0001290600000000, -0.0066500600000000 ] - [ -0.0135281700000000, 0.0000212600000000, -0.0068083600000000 ] - [ -0.0135232800000000, 0.0007196600000000, -0.0068242900000000 ] - [ -0.0135226300000000, 0.0000468800000000, -0.0068227100000000 ] - [ -0.0144462700000000, 0.0005370500000000, -0.0068661200000000 ] - [ -0.0136791000000000, -0.0000020600000000, -0.0068276100000000 ] - [ -0.0125961300000000, 0.0005274500000000, -0.0067861400000000 ] - [ -0.0133682700000000, -0.0000008000000000, -0.0068267100000000 ] - [ -0.0135251200000000, 0.0008553900000000, -0.0068282600000000 ] - [ -0.0135267200000000, 0.0000289000000000, -0.0068264200000000 ] - [ -0.0112229400000000, 0.0017133700000000, 0.0050553100000000 ] - [ -0.0135394700000000, 0.0000058200000000, 0.0067730800000000 ] - [ -0.0158492000000000, 0.0017179800000000, 0.0086182500000000 ] - [ -0.0135131500000000, 0.0000051300000000, 0.0068776600000000 ] - [ -0.0135291200000000, 0.0008421400000000, 0.0068247400000000 ] - [ -0.0135254500000000, 0.0000393400000000, 0.0068246000000000 ] - [ -0.0135524900000000, -0.0000300400000000, 0.0066962100000000 ] - [ -0.0135172800000000, -0.0000282000000000, 0.0068350900000000 ] - [ -0.0135028200000000, -0.0000281900000000, 0.0069582800000000 ] - [ -0.0135338200000000, -0.0000284700000000, 0.0068178100000000 ] - [ -0.0135277800000000, 0.0024205400000000, 0.0068303900000000 ] - [ -0.0135253200000000, 0.0000869400000000, 0.0068269500000000 ] - [ -0.0116510000000000, 0.0017117700000000, 0.0090600200000000 ] - [ -0.0135757300000000, 0.0000056000000000, 0.0068994200000000 ] - [ -0.0154031700000000, 0.0017200500000000, 0.0045699800000000 ] - [ -0.0134681100000000, 0.0000048800000000, 0.0067488300000000 ] - [ -0.0135240100000000, 0.0008417300000000, 0.0068235600000000 ] - [ -0.0135224300000000, 0.0000398000000000, 0.0068240200000000 ] - [ 0.0135200600000000, -0.0000110600000000, -0.0068242500000000 ] - [ 0.0135316100000000, -0.0000108200000000, -0.0068261800000000 ] - [ 0.0138371200000000, 0.0000845300000000, -0.0066833800000000 ] - [ 0.0133584800000000, 0.0000836300000000, -0.0068002100000000 ] - [ 0.0132091600000000, 0.0000859400000000, -0.0069639800000000 ] - [ 0.0136867700000000, 0.0000866100000000, -0.0068490600000000 ] - [ 0.0135261700000000, -0.0001995600000000, -0.0068271700000000 ] - [ 0.0135264200000000, -0.0001990700000000, -0.0068262600000000 ] - [ 0.0134560800000000, 0.0000759800000000, -0.0068255000000000 ] - [ 0.0134302600000000, 0.0000775200000000, -0.0067568900000000 ] - [ 0.0135962400000000, 0.0000768300000000, -0.0068293700000000 ] - [ 0.0136217900000000, 0.0000748500000000, -0.0068952500000000 ] - [ 0.0135319200000000, -0.0000416500000000, -0.0068243900000000 ] - [ 0.0135290500000000, -0.0000410700000000, -0.0068238000000000 ] - [ 0.0142765200000000, 0.0000689700000000, -0.0068526600000000 ] - [ 0.0133815900000000, 0.0000678300000000, -0.0067387800000000 ] - [ 0.0127777600000000, 0.0000714800000000, -0.0067952200000000 ] - [ 0.0136724900000000, 0.0000718900000000, -0.0069064900000000 ] - [ 0.0044547000000000, 0.0000688400000000, 0.0077480500000000 ] - [ 0.0044426300000000, -0.0000972600000000, 0.0077537500000000 ] - [ 0.0039466300000000, -0.0005858000000000, 0.0078665700000000 ] - [ 0.0044970700000000, 0.0000003500000000, 0.0078466300000000 ] - [ 0.0049474400000000, -0.0005855300000000, 0.0076431300000000 ] - [ 0.0043934900000000, -0.0000013600000000, 0.0076623000000000 ] - [ 0.0044463700000000, 0.0003242800000000, 0.0077639400000000 ] - [ 0.0044401600000000, 0.0000692400000000, 0.0077645100000000 ] - [ 0.0045276500000000, -0.0001378400000000, 0.0076486300000000 ] - [ 0.0044799900000000, -0.0000421800000000, 0.0077443700000000 ] - [ 0.0043600400000000, -0.0001393400000000, 0.0078792200000000 ] - [ 0.0044029700000000, -0.0000416500000000, 0.0077831000000000 ] - [ 0.0044672900000000, 0.0011508100000000, 0.0075449600000000 ] - [ 0.0044633500000000, -0.0000495600000000, 0.0075432400000000 ] - [ 0.0036060400000000, -0.0007624400000000, 0.0078430200000000 ] - [ 0.0045004500000000, 0.0000127900000000, 0.0075183600000000 ] - [ 0.0053197400000000, -0.0007578200000000, 0.0072415300000000 ] - [ 0.0044279200000000, 0.0000121500000000, 0.0075689800000000 ] - [ -0.0052862100000000, 0.0000135300000000, -0.0062232000000000 ] - [ -0.0045113100000000, 0.0000080900000000, -0.0075698200000000 ] - [ -0.0036202800000000, 0.0000659800000000, -0.0088059400000000 ] - [ -0.0044252400000000, 0.0000085600000000, -0.0075162300000000 ] - [ -0.0044637100000000, -0.0015563700000000, -0.0075455200000000 ] - [ -0.0044667400000000, -0.0000327900000000, -0.0075441100000000 ] - [ -0.0044709300000000, 0.0006647300000000, -0.0079557700000000 ] - [ -0.0044477000000000, 0.0000088000000000, -0.0077602800000000 ] - [ -0.0044146400000000, 0.0006645200000000, -0.0075716000000000 ] - [ -0.0044410900000000, 0.0000093900000000, -0.0077669600000000 ] - [ -0.0044445500000000, -0.0031776800000000, -0.0077672200000000 ] - [ -0.0044448900000000, -0.0000055600000000, -0.0077628700000000 ] - [ -0.0065917400000000, 0.0110965200000000, 0.0012339600000000 ] - [ -0.0043963500000000, 0.0000003000000000, -0.0077169400000000 ] - [ -0.0022332600000000, 0.0115346500000000, -0.0172086400000000 ] - [ -0.0045028000000000, 0.0000010500000000, -0.0077898100000000 ] - [ -0.0044494600000000, -0.0019386500000000, -0.0077386500000000 ] - [ -0.0044476600000000, -0.0000343000000000, -0.0077540700000000 ] - [ -0.0043649200000000, 0.0001351900000000, 0.0074362300000000 ] - [ -0.0047903900000000, -0.0000586100000000, 0.0077313200000000 ] - [ -0.0045748500000000, 0.0001351800000000, 0.0076502300000000 ] - [ -0.0041362600000000, -0.0000544400000000, 0.0073581500000000 ] - [ -0.0044700100000000, -0.0001477600000000, 0.0075426800000000 ] - [ -0.0044630300000000, -0.0000682000000000, 0.0075454800000000 ] - [ -0.0042608900000000, 0.0000655000000000, 0.0076430600000000 ] - [ -0.0044924800000000, 0.0000742000000000, 0.0076781800000000 ] - [ -0.0046444000000000, 0.0000634200000000, 0.0078613800000000 ] - [ -0.0043982800000000, 0.0000738000000000, 0.0078292000000000 ] - [ -0.0044515900000000, -0.0000540400000000, 0.0077521300000000 ] - [ -0.0044480100000000, -0.0002275300000000, 0.0077504500000000 ] - [ -0.0042733200000000, 0.0001999600000000, 0.0077198200000000 ] - [ -0.0047878000000000, 0.0000759100000000, 0.0079915900000000 ] - [ -0.0046184600000000, 0.0001992200000000, 0.0078034400000000 ] - [ -0.0040988800000000, 0.0000817200000000, 0.0075327800000000 ] - [ -0.0044461500000000, -0.0002968700000000, 0.0077629700000000 ] - [ -0.0044407900000000, -0.0002015700000000, 0.0077654400000000 ] - [ 0.0044605800000000, 0.0024422900000000, -0.0077680400000000 ] - [ 0.0044424800000000, -0.0000502000000000, -0.0077623800000000 ] - [ 0.0050596800000000, -0.0007237100000000, -0.0077083800000000 ] - [ 0.0043654500000000, -0.0000407600000000, -0.0077648500000000 ] - [ 0.0038339600000000, -0.0007281600000000, -0.0078233800000000 ] - [ 0.0045205500000000, -0.0000404900000000, -0.0077612200000000 ] - [ 0.0044503500000000, 0.0002059700000000, -0.0077515700000000 ] - [ 0.0044480600000000, 0.0000716800000000, -0.0077526200000000 ] - [ 0.0051245100000000, -0.0004984600000000, -0.0082726500000000 ] - [ 0.0044398700000000, -0.0000441500000000, -0.0077995000000000 ] - [ 0.0037807900000000, -0.0004969600000000, -0.0072338200000000 ] - [ 0.0044566300000000, -0.0000435700000000, -0.0077056400000000 ] - [ 0.0044672500000000, 0.0008242500000000, -0.0075474300000000 ] - [ 0.0044656200000000, 0.0000339900000000, -0.0075418500000000 ] - [ 0.0049005500000000, -0.0010781000000000, -0.0072193400000000 ] - [ 0.0043749800000000, -0.0000351900000000, -0.0074717200000000 ] - [ 0.0040338200000000, -0.0010802800000000, -0.0078704000000000 ] - [ 0.0045592600000000, -0.0000359100000000, -0.0076127500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0170492600000000, 0.0000000000000000, -0.0359728900000000 ] - [ 0.0133355400000000, 0.0000000000000000, 0.0067155800000000 ] - [ 0.0140722500000000, -0.0000240100000000, 0.0050978200000000 ] - [ 0.0134933900000000, 0.0000237400000000, 0.0068215800000000 ] - [ 0.0140722500000000, 0.0000240100000000, 0.0050978200000000 ] - [ 0.0134933900000000, -0.0000237400000000, 0.0068215800000000 ] - [ 0.0136825900000000, 0.0000000000000000, 0.0070309200000000 ] - [ 0.0134968400000000, 0.0000000000000000, 0.0068633800000000 ] - [ 0.0124273500000000, 0.0024446700000000, 0.0091684100000000 ] - [ 0.0134746100000000, 0.0000032400000000, 0.0068436900000000 ] - [ 0.0124273500000000, -0.0024446700000000, 0.0091684100000000 ] - [ 0.0134746100000000, -0.0000032400000000, 0.0068436900000000 ] - [ 0.0135048200000000, 0.0000000000000000, 0.0069970300000000 ] - [ 0.0134982100000000, 0.0000000000000000, 0.0068642500000000 ] - [ 0.0137487400000000, -0.0016239100000000, 0.0091611300000000 ] - [ 0.0134505000000000, 0.0000117300000000, 0.0068452800000000 ] - [ 0.0137487400000000, 0.0016239100000000, 0.0091611300000000 ] - [ 0.0134505000000000, -0.0000117300000000, 0.0068452800000000 ] - [ -0.0128673000000000, -0.0004043100000000, -0.0059059300000000 ] - [ -0.0137950000000000, -0.0000153600000000, -0.0068120200000000 ] - [ -0.0128673000000000, 0.0004043100000000, -0.0059059300000000 ] - [ -0.0137950000000000, 0.0000153600000000, -0.0068120200000000 ] - [ -0.0138362000000000, 0.0000000000000000, -0.0066768200000000 ] - [ -0.0135651500000000, 0.0000000000000000, -0.0067275800000000 ] - [ -0.0141137400000000, -0.0001760500000000, -0.0063543000000000 ] - [ -0.0135177600000000, -0.0000148900000000, -0.0067669300000000 ] - [ -0.0141137400000000, 0.0001760500000000, -0.0063543000000000 ] - [ -0.0135177600000000, 0.0000148900000000, -0.0067669300000000 ] - [ -0.0136939100000000, 0.0000000000000000, -0.0061033100000000 ] - [ -0.0134767000000000, 0.0000000000000000, -0.0068450400000000 ] - [ -0.0136518200000000, -0.0000353500000000, -0.0070439400000000 ] - [ -0.0137118900000000, -0.0000007400000000, -0.0068839900000000 ] - [ -0.0136518200000000, 0.0000353500000000, -0.0070439400000000 ] - [ -0.0137118900000000, 0.0000007400000000, -0.0068839900000000 ] - [ -0.0133211900000000, 0.0000000000000000, -0.0073612500000000 ] - [ -0.0135387800000000, 0.0000000000000000, -0.0068634000000000 ] - [ -0.0159863300000000, -0.0022572600000000, 0.0084897700000000 ] - [ -0.0135515100000000, -0.0000757600000000, 0.0068045400000000 ] - [ -0.0159863300000000, 0.0022572600000000, 0.0084897700000000 ] - [ -0.0135515100000000, 0.0000757600000000, 0.0068045400000000 ] - [ -0.0134271200000000, 0.0000000000000000, 0.0066038400000000 ] - [ -0.0135683300000000, 0.0000000000000000, 0.0067811700000000 ] - [ -0.0134382500000000, 0.0001309300000000, 0.0075248000000000 ] - [ -0.0135647400000000, -0.0000086800000000, 0.0068682500000000 ] - [ -0.0134382500000000, -0.0001309300000000, 0.0075248000000000 ] - [ -0.0135647400000000, 0.0000086800000000, 0.0068682500000000 ] - [ -0.0134647300000000, 0.0000000000000000, 0.0092612700000000 ] - [ -0.0135775700000000, 0.0000000000000000, 0.0069229100000000 ] - [ -0.0117997500000000, 0.0017742200000000, 0.0084794000000000 ] - [ -0.0135996900000000, 0.0000522200000000, 0.0068035800000000 ] - [ -0.0117997500000000, -0.0017742200000000, 0.0084794000000000 ] - [ -0.0135996900000000, -0.0000522200000000, 0.0068035800000000 ] - [ -0.0134548200000000, 0.0000000000000000, 0.0066055700000000 ] - [ -0.0135842000000000, 0.0000000000000000, 0.0067793900000000 ] - [ 0.0142037100000000, 0.0000000000000000, -0.0068269800000000 ] - [ 0.0134778400000000, 0.0000000000000000, -0.0068303800000000 ] - [ 0.0137653300000000, 0.0000239700000000, -0.0067294900000000 ] - [ 0.0134056600000000, 0.0001392100000000, -0.0067306900000000 ] - [ 0.0137653300000000, -0.0000239700000000, -0.0067294900000000 ] - [ 0.0134056600000000, -0.0001392100000000, -0.0067306900000000 ] - [ 0.0136352700000000, 0.0000000000000000, -0.0066029200000000 ] - [ 0.0135987400000000, 0.0000000000000000, -0.0066035300000000 ] - [ 0.0134962100000000, 0.0000685600000000, -0.0066834100000000 ] - [ 0.0134999100000000, 0.0000027400000000, -0.0066829600000000 ] - [ 0.0134962100000000, -0.0000685600000000, -0.0066834100000000 ] - [ 0.0134999100000000, -0.0000027400000000, -0.0066829600000000 ] - [ 0.0135775800000000, 0.0000000000000000, -0.0068819700000000 ] - [ 0.0134802000000000, 0.0000000000000000, -0.0068821200000000 ] - [ 0.0128804200000000, 0.0000835300000000, -0.0069025800000000 ] - [ 0.0136756300000000, -0.0000300000000000, -0.0069014800000000 ] - [ 0.0128804200000000, -0.0000835300000000, -0.0069025800000000 ] - [ 0.0136756300000000, 0.0000300000000000, -0.0069014800000000 ] - [ 0.0052623100000000, 0.0000000000000000, 0.0085654300000000 ] - [ 0.0046175200000000, 0.0000000000000000, 0.0077135500000000 ] - [ 0.0039605600000000, -0.0003880300000000, 0.0080775200000000 ] - [ 0.0045129200000000, -0.0000301400000000, 0.0078125900000000 ] - [ 0.0039605600000000, 0.0003880300000000, 0.0080775200000000 ] - [ 0.0045129200000000, 0.0000301400000000, 0.0078125900000000 ] - [ 0.0044058800000000, 0.0000000000000000, 0.0072110300000000 ] - [ 0.0044598700000000, 0.0000000000000000, 0.0076706000000000 ] - [ 0.0045764300000000, -0.0002841400000000, 0.0073404600000000 ] - [ 0.0044576700000000, -0.0000069800000000, 0.0077060200000000 ] - [ 0.0045764300000000, 0.0002841400000000, 0.0073404600000000 ] - [ 0.0044576700000000, 0.0000069800000000, 0.0077060200000000 ] - [ 0.0048346400000000, 0.0000000000000000, 0.0081906400000000 ] - [ 0.0044704300000000, 0.0000000000000000, 0.0075819700000000 ] - [ 0.0053543500000000, 0.0003983700000000, 0.0074658400000000 ] - [ 0.0044345100000000, -0.0000604500000000, 0.0075812100000000 ] - [ 0.0053543500000000, -0.0003983700000000, 0.0074658400000000 ] - [ 0.0044345100000000, 0.0000604500000000, 0.0075812100000000 ] - [ -0.0041797800000000, 0.0012644700000000, -0.0085612500000000 ] - [ -0.0044079200000000, -0.0000302400000000, -0.0075177200000000 ] - [ -0.0041797800000000, -0.0012644700000000, -0.0085612500000000 ] - [ -0.0044079200000000, 0.0000302400000000, -0.0075177200000000 ] - [ -0.0044137000000000, 0.0000000000000000, -0.0062596400000000 ] - [ -0.0044201300000000, 0.0000000000000000, -0.0075325900000000 ] - [ -0.0045290600000000, 0.0000709400000000, -0.0089654800000000 ] - [ -0.0044090400000000, 0.0000008900000000, -0.0078064400000000 ] - [ -0.0045290600000000, -0.0000709400000000, -0.0089654800000000 ] - [ -0.0044090400000000, -0.0000008900000000, -0.0078064400000000 ] - [ -0.0044019800000000, 0.0000000000000000, -0.0104274800000000 ] - [ -0.0044203500000000, 0.0000000000000000, -0.0077862100000000 ] - [ -0.0072519900000000, 0.0095096900000000, 0.0064824600000000 ] - [ -0.0043622200000000, 0.0000248600000000, -0.0077030800000000 ] - [ -0.0072519900000000, -0.0095096900000000, 0.0064824600000000 ] - [ -0.0043622200000000, -0.0000248600000000, -0.0077030800000000 ] - [ -0.0046876100000000, 0.0000000000000000, -0.0072833100000000 ] - [ -0.0043936500000000, 0.0000000000000000, -0.0077208100000000 ] - [ -0.0046397400000000, -0.0000258600000000, 0.0076150200000000 ] - [ -0.0040746300000000, 0.0000147700000000, 0.0072794100000000 ] - [ -0.0046397400000000, 0.0000258600000000, 0.0076150200000000 ] - [ -0.0040746300000000, -0.0000147700000000, 0.0072794100000000 ] - [ -0.0043254900000000, 0.0000000000000000, 0.0074543800000000 ] - [ -0.0045002800000000, 0.0000000000000000, 0.0073900800000000 ] - [ -0.0040807700000000, 0.0001333600000000, 0.0076516000000000 ] - [ -0.0045655300000000, 0.0000242200000000, 0.0076200500000000 ] - [ -0.0040807700000000, -0.0001333600000000, 0.0076516000000000 ] - [ -0.0045655300000000, -0.0000242200000000, 0.0076200500000000 ] - [ -0.0041940300000000, 0.0000000000000000, 0.0077080300000000 ] - [ -0.0045255000000000, 0.0000000000000000, 0.0076766900000000 ] - [ -0.0043893900000000, 0.0001340600000000, 0.0079189700000000 ] - [ -0.0045709300000000, -0.0000097900000000, 0.0081306200000000 ] - [ -0.0043893900000000, -0.0001340600000000, 0.0079189700000000 ] - [ -0.0045709300000000, 0.0000097900000000, 0.0081306200000000 ] - [ -0.0044537100000000, 0.0000000000000000, 0.0079285200000000 ] - [ -0.0044227800000000, 0.0000000000000000, 0.0078948600000000 ] - [ 0.0058659200000000, 0.0000000000000000, -0.0060286100000000 ] - [ 0.0044790800000000, 0.0000000000000000, -0.0077763500000000 ] - [ 0.0041584600000000, -0.0005185400000000, -0.0070483800000000 ] - [ 0.0044652400000000, -0.0000258700000000, -0.0076547000000000 ] - [ 0.0041584600000000, 0.0005185400000000, -0.0070483800000000 ] - [ 0.0044652400000000, 0.0000258700000000, -0.0076547000000000 ] - [ 0.0046804400000000, 0.0000000000000000, -0.0084373700000000 ] - [ 0.0044026400000000, 0.0000000000000000, -0.0078244000000000 ] - [ 0.0052127900000000, -0.0003554900000000, -0.0085376200000000 ] - [ 0.0044781700000000, -0.0000426800000000, -0.0078146000000000 ] - [ 0.0052127900000000, 0.0003554900000000, -0.0085376200000000 ] - [ 0.0044781700000000, 0.0000426800000000, -0.0078146000000000 ] - [ 0.0039898400000000, 0.0000000000000000, -0.0082186900000000 ] - [ 0.0045208500000000, 0.0000000000000000, -0.0075069200000000 ] - [ 0.0040453000000000, 0.0007120500000000, -0.0081843000000000 ] - [ 0.0045813100000000, 0.0000139500000000, -0.0076139800000000 ] - [ 0.0040453000000000, -0.0007120500000000, -0.0081843000000000 ] - [ 0.0045813100000000, -0.0000139500000000, -0.0076139800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0098070300000000, 0.0000000000000000, 0.0501304100000000 ] - [ 0.0137196900000000, 0.0000000000000000, 0.0069384200000000 ] - [ 0.0129731100000000, 0.0000153800000000, 0.0085672200000000 ] - [ 0.0135580900000000, -0.0000246600000000, 0.0068309200000000 ] - [ 0.0129731100000000, -0.0000153800000000, 0.0085672200000000 ] - [ 0.0135580900000000, 0.0000246600000000, 0.0068309200000000 ] - [ 0.0133556400000000, 0.0000000000000000, 0.0066584300000000 ] - [ 0.0135464300000000, 0.0000000000000000, 0.0067831700000000 ] - [ 0.0145976600000000, -0.0024143000000000, 0.0045115200000000 ] - [ 0.0135693900000000, -0.0000046300000000, 0.0068025300000000 ] - [ 0.0145976600000000, 0.0024143000000000, 0.0045115200000000 ] - [ 0.0135693900000000, 0.0000046300000000, 0.0068025300000000 ] - [ 0.0135462500000000, 0.0000000000000000, 0.0066250500000000 ] - [ 0.0135527100000000, 0.0000000000000000, 0.0067840900000000 ] - [ 0.0133019500000000, 0.0016122900000000, 0.0045045500000000 ] - [ 0.0136012100000000, -0.0000116700000000, 0.0068042200000000 ] - [ 0.0133019500000000, -0.0016122900000000, 0.0045045500000000 ] - [ 0.0136012100000000, 0.0000116700000000, 0.0068042200000000 ] - [ -0.0141811100000000, 0.0004098400000000, -0.0077478900000000 ] - [ -0.0132544600000000, 0.0000162000000000, -0.0068386100000000 ] - [ -0.0141811100000000, -0.0004098400000000, -0.0077478900000000 ] - [ -0.0132544600000000, -0.0000162000000000, -0.0068386100000000 ] - [ -0.0132122500000000, 0.0000000000000000, -0.0069750100000000 ] - [ -0.0134856000000000, 0.0000000000000000, -0.0069218400000000 ] - [ -0.0129263500000000, 0.0001754500000000, -0.0072934000000000 ] - [ -0.0135239800000000, 0.0000145400000000, -0.0068795000000000 ] - [ -0.0129263500000000, -0.0001754500000000, -0.0072934000000000 ] - [ -0.0135239800000000, -0.0000145400000000, -0.0068795000000000 ] - [ -0.0133464000000000, 0.0000000000000000, -0.0075462100000000 ] - [ -0.0135639200000000, 0.0000000000000000, -0.0068006300000000 ] - [ -0.0133894300000000, 0.0000443200000000, -0.0066087600000000 ] - [ -0.0133300200000000, 0.0000002200000000, -0.0067714000000000 ] - [ -0.0133894300000000, -0.0000443200000000, -0.0066087600000000 ] - [ -0.0133300200000000, -0.0000002200000000, -0.0067714000000000 ] - [ -0.0137260300000000, 0.0000000000000000, -0.0062967900000000 ] - [ -0.0135083600000000, 0.0000000000000000, -0.0067895100000000 ] - [ -0.0110915000000000, 0.0022330800000000, 0.0051744400000000 ] - [ -0.0134953100000000, 0.0000750900000000, 0.0068459600000000 ] - [ -0.0110915000000000, -0.0022330800000000, 0.0051744400000000 ] - [ -0.0134953100000000, -0.0000750900000000, 0.0068459600000000 ] - [ -0.0136273700000000, 0.0000000000000000, 0.0070424500000000 ] - [ -0.0134789800000000, 0.0000000000000000, 0.0068687500000000 ] - [ -0.0136143300000000, -0.0001305900000000, 0.0061324700000000 ] - [ -0.0134806200000000, 0.0000090000000000, 0.0067847900000000 ] - [ -0.0136143300000000, 0.0001305900000000, 0.0061324700000000 ] - [ -0.0134806200000000, -0.0000090000000000, 0.0067847900000000 ] - [ -0.0135878600000000, 0.0000000000000000, 0.0044114300000000 ] - [ -0.0134677900000000, 0.0000000000000000, 0.0067306800000000 ] - [ -0.0152479900000000, -0.0017892100000000, 0.0051639900000000 ] - [ -0.0134390000000000, -0.0000525300000000, 0.0068451800000000 ] - [ -0.0152479900000000, 0.0017892100000000, 0.0051639900000000 ] - [ -0.0134390000000000, 0.0000525300000000, 0.0068451800000000 ] - [ -0.0135886900000000, 0.0000000000000000, 0.0070442900000000 ] - [ -0.0134559200000000, 0.0000000000000000, 0.0068669600000000 ] - [ 0.0128339200000000, 0.0000000000000000, -0.0068180600000000 ] - [ 0.0135799800000000, 0.0000000000000000, -0.0068219000000000 ] - [ 0.0132791700000000, -0.0000252300000000, -0.0069175300000000 ] - [ 0.0136360800000000, -0.0001413900000000, -0.0069189300000000 ] - [ 0.0132791700000000, 0.0000252300000000, -0.0069175300000000 ] - [ 0.0136360800000000, 0.0001413900000000, -0.0069189300000000 ] - [ 0.0134150700000000, 0.0000000000000000, -0.0070488400000000 ] - [ 0.0134511600000000, 0.0000000000000000, -0.0070495900000000 ] - [ 0.0135527700000000, -0.0000691200000000, -0.0069701400000000 ] - [ 0.0135496900000000, -0.0000012900000000, -0.0069697200000000 ] - [ 0.0135527700000000, 0.0000691200000000, -0.0069701400000000 ] - [ 0.0135496900000000, 0.0000012900000000, -0.0069697200000000 ] - [ 0.0134661900000000, 0.0000000000000000, -0.0067683700000000 ] - [ 0.0135696400000000, 0.0000000000000000, -0.0067684200000000 ] - [ 0.0141681900000000, -0.0000842500000000, -0.0067464100000000 ] - [ 0.0133757600000000, 0.0000278000000000, -0.0067453500000000 ] - [ 0.0141681900000000, 0.0000842500000000, -0.0067464100000000 ] - [ 0.0133757600000000, -0.0000278000000000, -0.0067453500000000 ] - [ 0.0036755200000000, 0.0000000000000000, 0.0069275700000000 ] - [ 0.0042786100000000, 0.0000000000000000, 0.0077898800000000 ] - [ 0.0049363400000000, 0.0003866800000000, 0.0074331000000000 ] - [ 0.0043881500000000, 0.0000321700000000, 0.0076925200000000 ] - [ 0.0049363400000000, -0.0003866800000000, 0.0074331000000000 ] - [ 0.0043881500000000, -0.0000321700000000, 0.0076925200000000 ] - [ 0.0044868200000000, 0.0000000000000000, 0.0083132100000000 ] - [ 0.0044292800000000, 0.0000000000000000, 0.0078554600000000 ] - [ 0.0043139700000000, 0.0002864000000000, 0.0081868400000000 ] - [ 0.0044343300000000, 0.0000068200000000, 0.0078193900000000 ] - [ 0.0043139700000000, -0.0002864000000000, 0.0081868400000000 ] - [ 0.0044343300000000, -0.0000068200000000, 0.0078193900000000 ] - [ 0.0041223400000000, 0.0000000000000000, 0.0068914900000000 ] - [ 0.0044671400000000, 0.0000000000000000, 0.0075037900000000 ] - [ 0.0035808800000000, -0.0004005300000000, 0.0076217200000000 ] - [ 0.0045028200000000, 0.0000613600000000, 0.0075040500000000 ] - [ 0.0035808800000000, 0.0004005300000000, 0.0076217200000000 ] - [ 0.0045028200000000, -0.0000613600000000, 0.0075040500000000 ] - [ -0.0047424400000000, -0.0012952700000000, -0.0064894300000000 ] - [ -0.0045358000000000, 0.0000290300000000, -0.0075658500000000 ] - [ -0.0047424400000000, 0.0012952700000000, -0.0064894300000000 ] - [ -0.0045358000000000, -0.0000290300000000, -0.0075658500000000 ] - [ -0.0045246600000000, 0.0000000000000000, -0.0088178400000000 ] - [ -0.0045198200000000, 0.0000000000000000, -0.0075536700000000 ] - [ -0.0043607300000000, -0.0000660500000000, -0.0065698400000000 ] - [ -0.0044852700000000, -0.0000017500000000, -0.0077189400000000 ] - [ -0.0043607300000000, 0.0000660500000000, -0.0065698400000000 ] - [ -0.0044852700000000, 0.0000017500000000, -0.0077189400000000 ] - [ -0.0044939200000000, 0.0000000000000000, -0.0051194900000000 ] - [ -0.0044736500000000, 0.0000000000000000, -0.0077376500000000 ] - [ -0.0015787800000000, -0.0099764200000000, -0.0223369600000000 ] - [ -0.0045425900000000, -0.0000263100000000, -0.0078008700000000 ] - [ -0.0015787800000000, 0.0099764200000000, -0.0223369600000000 ] - [ -0.0045425900000000, 0.0000263100000000, -0.0078008700000000 ] - [ -0.0042164500000000, 0.0000000000000000, -0.0082289000000000 ] - [ -0.0045081900000000, 0.0000000000000000, -0.0077840200000000 ] - [ -0.0043004600000000, 0.0000262500000000, 0.0074712400000000 ] - [ -0.0048613000000000, -0.0000194000000000, 0.0078065400000000 ] - [ -0.0043004600000000, -0.0000262500000000, 0.0074712400000000 ] - [ -0.0048613000000000, 0.0000194000000000, 0.0078065400000000 ] - [ -0.0046165700000000, 0.0000000000000000, 0.0076309700000000 ] - [ -0.0044355900000000, 0.0000000000000000, 0.0076987500000000 ] - [ -0.0048233100000000, -0.0001308500000000, 0.0078510200000000 ] - [ -0.0043364800000000, -0.0000245600000000, 0.0078843600000000 ] - [ -0.0048233100000000, 0.0001308500000000, 0.0078510200000000 ] - [ -0.0043364800000000, 0.0000245600000000, 0.0078843600000000 ] - [ -0.0047100700000000, 0.0000000000000000, 0.0077960900000000 ] - [ -0.0043790000000000, 0.0000000000000000, 0.0078230400000000 ] - [ -0.0045054500000000, -0.0001340500000000, 0.0076060200000000 ] - [ -0.0043285200000000, 0.0000055300000000, 0.0073925900000000 ] - [ -0.0045054500000000, 0.0001340500000000, 0.0076060200000000 ] - [ -0.0043285200000000, -0.0000055300000000, 0.0073925900000000 ] - [ -0.0044412800000000, 0.0000000000000000, 0.0075961200000000 ] - [ -0.0044706900000000, 0.0000000000000000, 0.0076325700000000 ] - [ 0.0030570400000000, 0.0000000000000000, -0.0094809100000000 ] - [ 0.0044114700000000, 0.0000000000000000, -0.0077494200000000 ] - [ 0.0047339600000000, 0.0005230200000000, -0.0084722200000000 ] - [ 0.0044270800000000, 0.0000242500000000, -0.0078704700000000 ] - [ 0.0047339600000000, -0.0005230200000000, -0.0084722200000000 ] - [ 0.0044270800000000, -0.0000242500000000, -0.0078704700000000 ] - [ 0.0042323700000000, 0.0000000000000000, -0.0070710400000000 ] - [ 0.0044976100000000, 0.0000000000000000, -0.0076806300000000 ] - [ 0.0037018900000000, 0.0003556500000000, -0.0069718600000000 ] - [ 0.0044243400000000, 0.0000420000000000, -0.0076906300000000 ] - [ 0.0037018900000000, -0.0003556500000000, -0.0069718600000000 ] - [ 0.0044243400000000, -0.0000420000000000, -0.0076906300000000 ] - [ 0.0049544000000000, 0.0000000000000000, -0.0068729700000000 ] - [ 0.0044166100000000, 0.0000000000000000, -0.0075777400000000 ] - [ 0.0048927900000000, -0.0007038500000000, -0.0069048200000000 ] - [ 0.0043586800000000, -0.0000130400000000, -0.0074694800000000 ] - [ 0.0048927900000000, 0.0007038500000000, -0.0069048200000000 ] - [ 0.0043586800000000, 0.0000130400000000, -0.0074694800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0123438800000000, 0.0000000000000000, 0.0076100100000000 ] - [ 0.0124093400000000, 0.0000000000000000, 0.0069969100000000 ] - [ 0.0137989300000000, 0.0004961300000000, 0.0063438600000000 ] - [ 0.0132678400000000, -0.0000515600000000, 0.0068898600000000 ] - [ 0.0137989300000000, -0.0004961300000000, 0.0063438600000000 ] - [ 0.0132678400000000, 0.0000515600000000, 0.0068898600000000 ] - [ 0.0134066800000000, 0.0000000000000000, 0.0071825500000000 ] - [ 0.0130711400000000, 0.0000000000000000, 0.0068253000000000 ] - [ 0.0131070400000000, 0.0008498500000000, 0.0077050200000000 ] - [ 0.0130587300000000, -0.0000359300000000, 0.0067904700000000 ] - [ 0.0131070400000000, -0.0008498500000000, 0.0077050200000000 ] - [ 0.0130587300000000, 0.0000359300000000, 0.0067904700000000 ] - [ 0.0135955000000000, 0.0000000000000000, 0.0067865900000000 ] - [ 0.0133105600000000, 0.0000000000000000, 0.0068412000000000 ] - [ 0.0135789800000000, -0.0000842300000000, 0.0069582200000000 ] - [ 0.0133414100000000, -0.0000398200000000, 0.0068371500000000 ] - [ 0.0135789800000000, 0.0000842300000000, 0.0069582200000000 ] - [ 0.0133414100000000, 0.0000398200000000, 0.0068371500000000 ] - [ -0.0135475400000000, -0.0008302300000000, -0.0065450200000000 ] - [ -0.0140011500000000, -0.0000433600000000, -0.0067623500000000 ] - [ -0.0135475400000000, 0.0008302300000000, -0.0065450200000000 ] - [ -0.0140011500000000, 0.0000433600000000, -0.0067623500000000 ] - [ -0.0131896700000000, 0.0000000000000000, -0.0067690700000000 ] - [ -0.0138068200000000, 0.0000000000000000, -0.0067760500000000 ] - [ -0.0131386500000000, -0.0000292100000000, -0.0069100200000000 ] - [ -0.0137979700000000, -0.0000022700000000, -0.0067868500000000 ] - [ -0.0131386500000000, 0.0000292100000000, -0.0069100200000000 ] - [ -0.0137979700000000, 0.0000022700000000, -0.0067868500000000 ] - [ -0.0130799800000000, 0.0000000000000000, -0.0067826500000000 ] - [ -0.0138252200000000, 0.0000000000000000, -0.0067978800000000 ] - [ -0.0104037700000000, -0.0021727800000000, -0.0096513600000000 ] - [ -0.0139485700000000, 0.0000536600000000, -0.0067382900000000 ] - [ -0.0104037700000000, 0.0021727800000000, -0.0096513600000000 ] - [ -0.0139485700000000, -0.0000536600000000, -0.0067382900000000 ] - [ -0.0130712200000000, 0.0000000000000000, -0.0070620000000000 ] - [ -0.0138000100000000, 0.0000000000000000, -0.0067705300000000 ] - [ -0.0146207100000000, -0.0003410500000000, 0.0069464900000000 ] - [ -0.0144530500000000, 0.0001723000000000, 0.0067694700000000 ] - [ -0.0146207100000000, 0.0003410500000000, 0.0069464900000000 ] - [ -0.0144530500000000, -0.0001723000000000, 0.0067694700000000 ] - [ -0.0134371900000000, 0.0000000000000000, 0.0068022000000000 ] - [ -0.0136911300000000, 0.0000000000000000, 0.0068330400000000 ] - [ -0.0134766000000000, -0.0000473200000000, 0.0069407900000000 ] - [ -0.0139116600000000, 0.0001901400000000, 0.0064580300000000 ] - [ -0.0134766000000000, 0.0000473200000000, 0.0069407900000000 ] - [ -0.0139116600000000, -0.0001901400000000, 0.0064580300000000 ] - [ -0.0135628500000000, 0.0000000000000000, 0.0068997200000000 ] - [ -0.0137377600000000, 0.0000000000000000, 0.0065687200000000 ] - [ -0.0134379300000000, -0.0003248400000000, 0.0064345800000000 ] - [ -0.0137800500000000, 0.0001027400000000, 0.0069936100000000 ] - [ -0.0134379300000000, 0.0003248400000000, 0.0064345800000000 ] - [ -0.0137800500000000, -0.0001027400000000, 0.0069936100000000 ] - [ -0.0134048200000000, 0.0000000000000000, 0.0068572700000000 ] - [ -0.0137113300000000, 0.0000000000000000, 0.0066800100000000 ] - [ 0.0469605800000000, 0.0000000000000000, -0.0081497600000000 ] - [ 0.0127025300000000, 0.0000000000000000, -0.0068597100000000 ] - [ 0.0141090900000000, -0.0006132100000000, -0.0065358200000000 ] - [ 0.0131873700000000, 0.0000774900000000, -0.0068438300000000 ] - [ 0.0141090900000000, 0.0006132100000000, -0.0065358200000000 ] - [ 0.0131873700000000, -0.0000774900000000, -0.0068438300000000 ] - [ 0.0138513400000000, 0.0000000000000000, -0.0070526700000000 ] - [ 0.0131829400000000, 0.0000000000000000, -0.0067806100000000 ] - [ 0.0139289300000000, -0.0006750900000000, -0.0075876800000000 ] - [ 0.0131882700000000, 0.0000077500000000, -0.0068548800000000 ] - [ 0.0139289300000000, 0.0006750900000000, -0.0075876800000000 ] - [ 0.0131882700000000, -0.0000077500000000, -0.0068548800000000 ] - [ 0.0139162000000000, 0.0000000000000000, -0.0063441600000000 ] - [ 0.0132372300000000, 0.0000000000000000, -0.0068778600000000 ] - [ 0.0144100900000000, -0.0004331100000000, -0.0064023800000000 ] - [ 0.0131848700000000, 0.0000911700000000, -0.0069364300000000 ] - [ 0.0144100900000000, 0.0004331100000000, -0.0064023800000000 ] - [ 0.0131848700000000, -0.0000911700000000, -0.0069364300000000 ] - [ -0.0422697400000000, 0.0000000000000000, 0.0134383900000000 ] - [ 0.0050242200000000, 0.0000000000000000, 0.0077673300000000 ] - [ 0.0033842100000000, 0.0001925800000000, 0.0081322500000000 ] - [ 0.0048018200000000, 0.0000256500000000, 0.0077416700000000 ] - [ 0.0033842100000000, -0.0001925800000000, 0.0081322500000000 ] - [ 0.0048018200000000, -0.0000256500000000, 0.0077416700000000 ] - [ 0.0037032500000000, 0.0000000000000000, 0.0077811200000000 ] - [ 0.0048168600000000, 0.0000000000000000, 0.0077630300000000 ] - [ 0.0042618900000000, -0.0001523800000000, 0.0076377900000000 ] - [ 0.0047649600000000, 0.0000131000000000, 0.0078047700000000 ] - [ 0.0042618900000000, 0.0001523800000000, 0.0076377900000000 ] - [ 0.0047649600000000, -0.0000131000000000, 0.0078047700000000 ] - [ 0.0037264700000000, 0.0000000000000000, 0.0073340400000000 ] - [ 0.0048400800000000, 0.0000000000000000, 0.0075035300000000 ] - [ 0.0042856900000000, -0.0002785500000000, 0.0076934900000000 ] - [ 0.0047873300000000, 0.0000367800000000, 0.0074995100000000 ] - [ 0.0042856900000000, 0.0002785500000000, 0.0076934900000000 ] - [ 0.0047873300000000, -0.0000367800000000, 0.0074995100000000 ] - [ -0.0006835900000000, 0.0036545300000000, -0.0100133100000000 ] - [ -0.0037848500000000, 0.0000292700000000, -0.0074422100000000 ] - [ -0.0006835900000000, -0.0036545300000000, -0.0100133100000000 ] - [ -0.0037848500000000, -0.0000292700000000, -0.0074422100000000 ] - [ -0.0048267900000000, 0.0000000000000000, -0.0070994000000000 ] - [ -0.0041803700000000, 0.0000000000000000, -0.0076094400000000 ] - [ -0.0047685100000000, 0.0000292800000000, -0.0080407400000000 ] - [ -0.0040422700000000, 0.0000191000000000, -0.0077285500000000 ] - [ -0.0047685100000000, -0.0000292800000000, -0.0080407400000000 ] - [ -0.0040422700000000, -0.0000191000000000, -0.0077285500000000 ] - [ -0.0046989600000000, 0.0000000000000000, -0.0083084500000000 ] - [ -0.0040906100000000, 0.0000000000000000, -0.0077391800000000 ] - [ -0.0054196700000000, 0.0014289000000000, -0.0066424500000000 ] - [ -0.0041076500000000, -0.0001139600000000, -0.0078721300000000 ] - [ -0.0054196700000000, -0.0014289000000000, -0.0066424500000000 ] - [ -0.0041076500000000, 0.0001139600000000, -0.0078721300000000 ] - [ -0.0048696000000000, 0.0000000000000000, -0.0074167000000000 ] - [ -0.0041398800000000, 0.0000000000000000, -0.0078316800000000 ] - [ -0.0045593900000000, -0.0053734700000000, 0.0118777100000000 ] - [ -0.0039362300000000, 0.0000807800000000, 0.0073902100000000 ] - [ -0.0045593900000000, 0.0053734700000000, 0.0118777100000000 ] - [ -0.0039362300000000, -0.0000807800000000, 0.0073902100000000 ] - [ -0.0047488800000000, 0.0000000000000000, 0.0078968800000000 ] - [ -0.0042178200000000, 0.0000000000000000, 0.0074941900000000 ] - [ -0.0046988500000000, -0.0000542800000000, 0.0078809200000000 ] - [ -0.0041939300000000, 0.0000143100000000, 0.0077754600000000 ] - [ -0.0046988500000000, 0.0000542800000000, 0.0078809200000000 ] - [ -0.0041939300000000, -0.0000143100000000, 0.0077754600000000 ] - [ -0.0045755500000000, 0.0000000000000000, 0.0079955400000000 ] - [ -0.0042017000000000, 0.0000000000000000, 0.0077927900000000 ] - [ -0.0045431000000000, -0.0029594800000000, 0.0045067600000000 ] - [ -0.0039137700000000, 0.0002586300000000, 0.0079222200000000 ] - [ -0.0045431000000000, 0.0029594800000000, 0.0045067600000000 ] - [ -0.0039137700000000, -0.0002586300000000, 0.0079222200000000 ] - [ -0.0047242800000000, 0.0000000000000000, 0.0075450500000000 ] - [ -0.0041945500000000, 0.0000000000000000, 0.0077620000000000 ] - [ 0.0068206600000000, 0.0000000000000000, -0.0086208800000000 ] - [ 0.0068243500000000, 0.0000000000000000, -0.0092025000000000 ] - [ 0.0045802600000000, -0.0003585700000000, -0.0074502900000000 ] - [ 0.0045811100000000, 0.0002057500000000, -0.0079063700000000 ] - [ 0.0045802600000000, 0.0003585700000000, -0.0074502900000000 ] - [ 0.0045811100000000, -0.0002057500000000, -0.0079063700000000 ] - [ 0.0051843000000000, 0.0000000000000000, -0.0080804300000000 ] - [ 0.0051890600000000, 0.0000000000000000, -0.0070286400000000 ] - [ 0.0049126900000000, -0.0000112500000000, -0.0078482200000000 ] - [ 0.0049170200000000, 0.0003029500000000, -0.0075817900000000 ] - [ 0.0049126900000000, 0.0000112500000000, -0.0078482200000000 ] - [ 0.0049170200000000, -0.0003029500000000, -0.0075817900000000 ] - [ 0.0045737200000000, 0.0000000000000000, -0.0073743900000000 ] - [ 0.0045733700000000, 0.0000000000000000, -0.0075672500000000 ] - [ 0.0045646200000000, -0.0001293000000000, -0.0075066500000000 ] - [ 0.0045625300000000, 0.0000223700000000, -0.0073704300000000 ] - [ 0.0045646200000000, 0.0001293000000000, -0.0075066500000000 ] - [ 0.0045625300000000, -0.0000223700000000, -0.0073704300000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0147069800000000, 0.0000000000000000, 0.0060205900000000 ] - [ 0.0146666100000000, 0.0000000000000000, 0.0066562100000000 ] - [ 0.0132458100000000, -0.0005047100000000, 0.0073164900000000 ] - [ 0.0137815100000000, 0.0000525800000000, 0.0067623700000000 ] - [ 0.0132458100000000, 0.0005047100000000, 0.0073164900000000 ] - [ 0.0137815100000000, -0.0000525800000000, 0.0067623700000000 ] - [ 0.0136303400000000, 0.0000000000000000, 0.0064688500000000 ] - [ 0.0139745100000000, 0.0000000000000000, 0.0068202600000000 ] - [ 0.0139419200000000, -0.0008635900000000, 0.0059301200000000 ] - [ 0.0139826900000000, 0.0000366300000000, 0.0068572000000000 ] - [ 0.0139419200000000, 0.0008635900000000, 0.0059301200000000 ] - [ 0.0139826900000000, -0.0000366300000000, 0.0068572000000000 ] - [ 0.0134501200000000, 0.0000000000000000, 0.0068650200000000 ] - [ 0.0137411300000000, 0.0000000000000000, 0.0068082000000000 ] - [ 0.0134663300000000, 0.0000824100000000, 0.0066933300000000 ] - [ 0.0137112000000000, 0.0000398000000000, 0.0068116100000000 ] - [ 0.0134663300000000, -0.0000824100000000, 0.0066933300000000 ] - [ 0.0137112000000000, -0.0000398000000000, 0.0068116100000000 ] - [ -0.0135228600000000, 0.0008343500000000, -0.0071042000000000 ] - [ -0.0130440700000000, 0.0000434700000000, -0.0068882200000000 ] - [ -0.0135228600000000, -0.0008343500000000, -0.0071042000000000 ] - [ -0.0130440700000000, -0.0000434700000000, -0.0068882200000000 ] - [ -0.0138595100000000, 0.0000000000000000, -0.0068787000000000 ] - [ -0.0132410600000000, 0.0000000000000000, -0.0068738100000000 ] - [ -0.0139039100000000, 0.0000285200000000, -0.0067395800000000 ] - [ -0.0132414900000000, 0.0000016500000000, -0.0068607700000000 ] - [ -0.0139039100000000, -0.0000285200000000, -0.0067395800000000 ] - [ -0.0132414900000000, -0.0000016500000000, -0.0068607700000000 ] - [ -0.0139540600000000, 0.0000000000000000, -0.0068722900000000 ] - [ -0.0132131400000000, 0.0000000000000000, -0.0068491400000000 ] - [ -0.0166683800000000, 0.0021837000000000, -0.0039776300000000 ] - [ -0.0130937600000000, -0.0000544100000000, -0.0069163000000000 ] - [ -0.0166683800000000, -0.0021837000000000, -0.0039776300000000 ] - [ -0.0130937600000000, 0.0000544100000000, -0.0069163000000000 ] - [ -0.0139799300000000, 0.0000000000000000, -0.0065888400000000 ] - [ -0.0132455800000000, 0.0000000000000000, -0.0068832400000000 ] - [ -0.0124180300000000, 0.0003475900000000, 0.0067015500000000 ] - [ -0.0125841700000000, -0.0001724000000000, 0.0068833800000000 ] - [ -0.0124180300000000, -0.0003475900000000, 0.0067015500000000 ] - [ -0.0125841700000000, 0.0001724000000000, 0.0068833800000000 ] - [ -0.0136168600000000, 0.0000000000000000, 0.0068479300000000 ] - [ -0.0133572000000000, 0.0000000000000000, 0.0068179900000000 ] - [ -0.0135747600000000, 0.0000478100000000, 0.0067106800000000 ] - [ -0.0131358500000000, -0.0001928800000000, 0.0071978700000000 ] - [ -0.0135747600000000, -0.0000478100000000, 0.0067106800000000 ] - [ -0.0131358500000000, 0.0001928800000000, 0.0071978700000000 ] - [ -0.0134903300000000, 0.0000000000000000, 0.0067521600000000 ] - [ -0.0133092400000000, 0.0000000000000000, 0.0070825300000000 ] - [ -0.0136038300000000, 0.0003311200000000, 0.0072194800000000 ] - [ -0.0132641000000000, -0.0001060600000000, 0.0066518900000000 ] - [ -0.0136038300000000, -0.0003311200000000, 0.0072194800000000 ] - [ -0.0132641000000000, 0.0001060600000000, 0.0066518900000000 ] - [ -0.0136410800000000, 0.0000000000000000, 0.0067901300000000 ] - [ -0.0133282700000000, 0.0000000000000000, 0.0069678800000000 ] - [ -0.0182120000000000, 0.0000000000000000, -0.0053416000000000 ] - [ 0.0143544700000000, 0.0000000000000000, -0.0067901800000000 ] - [ 0.0129321400000000, 0.0006103800000000, -0.0071087600000000 ] - [ 0.0138577100000000, -0.0000787200000000, -0.0068032300000000 ] - [ 0.0129321400000000, -0.0006103800000000, -0.0071087600000000 ] - [ 0.0138577100000000, 0.0000787200000000, -0.0068032300000000 ] - [ 0.0131956100000000, 0.0000000000000000, -0.0066029100000000 ] - [ 0.0138687800000000, 0.0000000000000000, -0.0068737400000000 ] - [ 0.0131197000000000, 0.0006670400000000, -0.0060745400000000 ] - [ 0.0138627700000000, -0.0000075900000000, -0.0067982200000000 ] - [ 0.0131197000000000, -0.0006670400000000, -0.0060745400000000 ] - [ 0.0138627700000000, 0.0000075900000000, -0.0067982200000000 ] - [ 0.0131339900000000, 0.0000000000000000, -0.0073063900000000 ] - [ 0.0138152100000000, 0.0000000000000000, -0.0067712000000000 ] - [ 0.0126431300000000, 0.0004324900000000, -0.0072480500000000 ] - [ 0.0138687300000000, -0.0000930100000000, -0.0067116700000000 ] - [ 0.0126431300000000, -0.0004324900000000, -0.0072480500000000 ] - [ 0.0138687300000000, 0.0000930100000000, -0.0067116700000000 ] - [ 0.0496823900000000, 0.0000000000000000, 0.0018130100000000 ] - [ 0.0038660500000000, 0.0000000000000000, 0.0077369500000000 ] - [ 0.0055275900000000, -0.0002124200000000, 0.0073535100000000 ] - [ 0.0040938400000000, -0.0000257100000000, 0.0077636300000000 ] - [ 0.0055275900000000, 0.0002124200000000, 0.0073535100000000 ] - [ 0.0040938400000000, 0.0000257100000000, 0.0077636300000000 ] - [ 0.0051940100000000, 0.0000000000000000, 0.0077323400000000 ] - [ 0.0040685700000000, 0.0000000000000000, 0.0077630700000000 ] - [ 0.0046322900000000, 0.0001371000000000, 0.0078802700000000 ] - [ 0.0041216800000000, -0.0000130900000000, 0.0077223000000000 ] - [ 0.0046322900000000, -0.0001371000000000, 0.0078802700000000 ] - [ 0.0041216800000000, 0.0000130900000000, 0.0077223000000000 ] - [ 0.0052186200000000, 0.0000000000000000, 0.0077682800000000 ] - [ 0.0040927000000000, 0.0000000000000000, 0.0075841400000000 ] - [ 0.0046559700000000, 0.0002583100000000, 0.0074210700000000 ] - [ 0.0041444800000000, -0.0000359800000000, 0.0075872800000000 ] - [ 0.0046559700000000, -0.0002583100000000, 0.0074210700000000 ] - [ 0.0041444800000000, 0.0000359800000000, 0.0075872800000000 ] - [ -0.0083191600000000, -0.0037440800000000, -0.0050241100000000 ] - [ -0.0051616200000000, -0.0000271300000000, -0.0076475300000000 ] - [ -0.0083191600000000, 0.0037440800000000, -0.0050241100000000 ] - [ -0.0051616200000000, 0.0000271300000000, -0.0076475300000000 ] - [ -0.0041044400000000, 0.0000000000000000, -0.0079942700000000 ] - [ -0.0047598600000000, 0.0000000000000000, -0.0074772000000000 ] - [ -0.0041158800000000, -0.0000315200000000, -0.0074814100000000 ] - [ -0.0048517600000000, -0.0000198100000000, -0.0077975300000000 ] - [ -0.0041158800000000, 0.0000315200000000, -0.0074814100000000 ] - [ -0.0048517600000000, 0.0000198100000000, -0.0077975300000000 ] - [ -0.0041820700000000, 0.0000000000000000, -0.0072129400000000 ] - [ -0.0048031900000000, 0.0000000000000000, -0.0077856400000000 ] - [ -0.0034629800000000, -0.0014567300000000, -0.0088837200000000 ] - [ -0.0047966600000000, 0.0001171500000000, -0.0076292500000000 ] - [ -0.0034629800000000, 0.0014567300000000, -0.0088837200000000 ] - [ -0.0047966600000000, -0.0001171500000000, -0.0076292500000000 ] - [ -0.0040224800000000, 0.0000000000000000, -0.0080961000000000 ] - [ -0.0047626300000000, 0.0000000000000000, -0.0076746400000000 ] - [ -0.0043740100000000, 0.0053524600000000, 0.0032226400000000 ] - [ -0.0050075800000000, -0.0000821000000000, 0.0076972300000000 ] - [ -0.0043740100000000, -0.0053524600000000, 0.0032226400000000 ] - [ -0.0050075800000000, 0.0000821000000000, 0.0076972300000000 ] - [ -0.0041927000000000, 0.0000000000000000, 0.0071914600000000 ] - [ -0.0047224400000000, 0.0000000000000000, 0.0075930400000000 ] - [ -0.0042042000000000, 0.0000542200000000, 0.0076265500000000 ] - [ -0.0047099200000000, -0.0000152100000000, 0.0077300000000000 ] - [ -0.0042042000000000, -0.0000542200000000, 0.0076265500000000 ] - [ -0.0047099200000000, 0.0000152100000000, 0.0077300000000000 ] - [ -0.0043312900000000, 0.0000000000000000, 0.0075160900000000 ] - [ -0.0047032000000000, 0.0000000000000000, 0.0077105900000000 ] - [ -0.0043579100000000, 0.0029422500000000, 0.0110024700000000 ] - [ -0.0049859000000000, -0.0002615900000000, 0.0076037300000000 ] - [ -0.0043579100000000, -0.0029422500000000, 0.0110024700000000 ] - [ -0.0049859000000000, 0.0002615900000000, 0.0076037300000000 ] - [ -0.0041682400000000, 0.0000000000000000, 0.0079778500000000 ] - [ -0.0047001500000000, 0.0000000000000000, 0.0077647900000000 ] - [ 0.0020297400000000, 0.0000000000000000, -0.0068849000000000 ] - [ 0.0020326500000000, 0.0000000000000000, -0.0063042200000000 ] - [ 0.0043095800000000, 0.0003646100000000, -0.0080797200000000 ] - [ 0.0043098600000000, -0.0002086800000000, -0.0076184500000000 ] - [ 0.0043095800000000, -0.0003646100000000, -0.0080797200000000 ] - [ 0.0043098600000000, 0.0002086800000000, -0.0076184500000000 ] - [ 0.0037074200000000, 0.0000000000000000, -0.0074226300000000 ] - [ 0.0037103000000000, 0.0000000000000000, -0.0084898800000000 ] - [ 0.0039808900000000, 0.0000116200000000, -0.0076557600000000 ] - [ 0.0039845900000000, -0.0003029800000000, -0.0079240000000000 ] - [ 0.0039808900000000, -0.0000116200000000, -0.0076557600000000 ] - [ 0.0039845900000000, 0.0003029800000000, -0.0079240000000000 ] - [ 0.0043635400000000, 0.0000000000000000, -0.0077165700000000 ] - [ 0.0043614600000000, 0.0000000000000000, -0.0075167500000000 ] - [ 0.0043744400000000, 0.0001334100000000, -0.0075813100000000 ] - [ 0.0043718100000000, -0.0000239900000000, -0.0077134900000000 ] - [ 0.0043744400000000, -0.0001334100000000, -0.0075813100000000 ] - [ 0.0043718100000000, 0.0000239900000000, -0.0077134900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0135146900000000, 0.0000692700000000, 0.0068336400000000 ] - [ 0.0135280300000000, -0.0000974800000000, 0.0068267000000000 ] - [ 0.0137109300000000, -0.0005882600000000, 0.0072161300000000 ] - [ 0.0133505200000000, 0.0000000900000000, 0.0068577100000000 ] - [ 0.0133388500000000, -0.0005831700000000, 0.0064416100000000 ] - [ 0.0136978400000000, -0.0000000800000000, 0.0067950200000000 ] - [ 0.0135264300000000, 0.0011509000000000, 0.0068121300000000 ] - [ 0.0135215900000000, -0.0000499900000000, 0.0068235000000000 ] - [ 0.0139578300000000, -0.0007595000000000, 0.0064253100000000 ] - [ 0.0135835500000000, 0.0000130700000000, 0.0068843900000000 ] - [ 0.0130872200000000, -0.0007600400000000, 0.0072239900000000 ] - [ 0.0134588700000000, 0.0000129200000000, 0.0067631500000000 ] - [ 0.0135271500000000, 0.0003243800000000, 0.0068262200000000 ] - [ 0.0135251800000000, 0.0000684100000000, 0.0068248100000000 ] - [ 0.0137537600000000, -0.0001397600000000, 0.0071104200000000 ] - [ 0.0134738500000000, -0.0000414500000000, 0.0068315200000000 ] - [ 0.0132949700000000, -0.0001367600000000, 0.0065402300000000 ] - [ 0.0135777000000000, -0.0000411300000000, 0.0068180600000000 ] - [ -0.0134432800000000, 0.0000176700000000, -0.0055284600000000 ] - [ -0.0136597700000000, 0.0000097700000000, -0.0068542600000000 ] - [ -0.0136081300000000, 0.0000638600000000, -0.0080881300000000 ] - [ -0.0133887600000000, 0.0000102000000000, -0.0067950500000000 ] - [ -0.0135272400000000, -0.0015559100000000, -0.0068264100000000 ] - [ -0.0135251100000000, -0.0000311000000000, -0.0068249500000000 ] - [ -0.0137301700000000, 0.0006719200000000, -0.0067569300000000 ] - [ -0.0135173100000000, 0.0000106200000000, -0.0068218600000000 ] - [ -0.0133138200000000, 0.0006617900000000, -0.0068936700000000 ] - [ -0.0135248100000000, 0.0000115300000000, -0.0068250200000000 ] - [ -0.0135192000000000, -0.0031767000000000, -0.0068324500000000 ] - [ -0.0135210000000000, -0.0000034000000000, -0.0068233100000000 ] - [ -0.0140092500000000, 0.0110791700000000, 0.0026755300000000 ] - [ -0.0134373100000000, 0.0000022500000000, -0.0068010100000000 ] - [ -0.0129559500000000, 0.0115536400000000, -0.0168115000000000 ] - [ -0.0136126500000000, 0.0000018100000000, -0.0068520700000000 ] - [ -0.0135269500000000, -0.0019372900000000, -0.0068247100000000 ] - [ -0.0135239700000000, -0.0000330900000000, -0.0068265700000000 ] - [ -0.0149716200000000, 0.0000804000000000, 0.0068319900000000 ] - [ -0.0134721900000000, 0.0002000000000000, 0.0066911200000000 ] - [ -0.0120742500000000, 0.0000786200000000, 0.0068159900000000 ] - [ -0.0135724100000000, 0.0002009100000000, 0.0069588600000000 ] - [ -0.0135249800000000, -0.0002017500000000, 0.0068251200000000 ] - [ -0.0135262600000000, -0.0002974600000000, 0.0068246400000000 ] - [ -0.0134266700000000, 0.0000748000000000, 0.0068018200000000 ] - [ -0.0136274200000000, 0.0000642700000000, 0.0066952000000000 ] - [ -0.0136214100000000, 0.0000740300000000, 0.0068511200000000 ] - [ -0.0134213100000000, 0.0000654400000000, 0.0069600900000000 ] - [ -0.0135252100000000, -0.0002277900000000, 0.0068261700000000 ] - [ -0.0135243800000000, -0.0000542000000000, 0.0068260600000000 ] - [ -0.0140671700000000, -0.0000575100000000, 0.0068055600000000 ] - [ -0.0132379100000000, 0.0001343500000000, 0.0068492300000000 ] - [ -0.0129750800000000, -0.0000548600000000, 0.0068396200000000 ] - [ -0.0138071100000000, 0.0001357200000000, 0.0067972500000000 ] - [ -0.0135224900000000, -0.0000687600000000, 0.0068233400000000 ] - [ -0.0135208600000000, -0.0001472900000000, 0.0068243600000000 ] - [ 0.0135043100000000, 0.0024435400000000, -0.0068256400000000 ] - [ 0.0135210300000000, -0.0000480800000000, -0.0068235400000000 ] - [ 0.0131281900000000, -0.0007257100000000, -0.0073454900000000 ] - [ 0.0136056700000000, -0.0000398300000000, -0.0068485100000000 ] - [ 0.0139091100000000, -0.0007241100000000, -0.0063041200000000 ] - [ 0.0134382200000000, -0.0000397500000000, -0.0067983900000000 ] - [ 0.0135224000000000, 0.0002079600000000, -0.0068303200000000 ] - [ 0.0135249800000000, 0.0000733500000000, -0.0068270800000000 ] - [ 0.0133465900000000, -0.0004985900000000, -0.0071828100000000 ] - [ 0.0135468000000000, -0.0000428000000000, -0.0068684600000000 ] - [ 0.0137003100000000, -0.0004949100000000, -0.0064717100000000 ] - [ 0.0135030300000000, -0.0000434500000000, -0.0067844600000000 ] - [ 0.0135224300000000, 0.0008256300000000, -0.0068233500000000 ] - [ 0.0135252900000000, 0.0000354600000000, -0.0068248500000000 ] - [ 0.0129432100000000, -0.0010752700000000, -0.0061221000000000 ] - [ 0.0135603200000000, -0.0000338900000000, -0.0068123500000000 ] - [ 0.0141113700000000, -0.0010804200000000, -0.0075374300000000 ] - [ 0.0134895800000000, -0.0000352000000000, -0.0068383500000000 ] - [ 0.0044307200000000, -0.0376305400000000, 0.0082271100000000 ] - [ 0.0044493000000000, -0.0000086500000000, 0.0077530000000000 ] - [ 0.0042480200000000, 0.0063101900000000, 0.0096398900000000 ] - [ 0.0044219900000000, 0.0000442400000000, 0.0077271100000000 ] - [ 0.0046529500000000, 0.0062441200000000, 0.0058448100000000 ] - [ 0.0044753300000000, 0.0000435200000000, 0.0077781400000000 ] - [ 0.0044466100000000, -0.0033843600000000, 0.0077665100000000 ] - [ 0.0044437700000000, -0.0000015700000000, 0.0077626900000000 ] - [ 0.0047139700000000, 0.0029751500000000, 0.0092343500000000 ] - [ 0.0044068300000000, 0.0000150800000000, 0.0077890100000000 ] - [ 0.0041764500000000, 0.0029622100000000, 0.0063013100000000 ] - [ 0.0044816700000000, 0.0000150500000000, 0.0077383800000000 ] - [ 0.0044688800000000, -0.0033849400000000, 0.0075406500000000 ] - [ 0.0044680200000000, -0.0000013700000000, 0.0075437400000000 ] - [ 0.0046102900000000, 0.0029670200000000, 0.0039799000000000 ] - [ 0.0044549800000000, 0.0000158800000000, 0.0075144800000000 ] - [ 0.0043210800000000, 0.0029708200000000, 0.0111296500000000 ] - [ 0.0044801600000000, 0.0000139600000000, 0.0075718900000000 ] - [ -0.0007880400000000, 0.0010393900000000, -0.0091704100000000 ] - [ -0.0044425200000000, -0.0000095800000000, -0.0075619900000000 ] - [ -0.0081847300000000, 0.0010406300000000, -0.0059103400000000 ] - [ -0.0044988000000000, -0.0000095000000000, -0.0075253100000000 ] - [ -0.0044690000000000, 0.0008996600000000, -0.0075436900000000 ] - [ -0.0044671900000000, 0.0000027600000000, -0.0075435900000000 ] - [ -0.0044156200000000, -0.0003113700000000, -0.0076333400000000 ] - [ -0.0044269900000000, 0.0000408000000000, -0.0077559100000000 ] - [ -0.0044774400000000, -0.0003056600000000, -0.0078910900000000 ] - [ -0.0044639700000000, 0.0000420600000000, -0.0077712600000000 ] - [ -0.0044449700000000, 0.0006368100000000, -0.0077637200000000 ] - [ -0.0044451800000000, -0.0000480800000000, -0.0077629400000000 ] - [ -0.0030085500000000, -0.0002380400000000, -0.0070896300000000 ] - [ -0.0045665900000000, 0.0000150200000000, -0.0077443200000000 ] - [ -0.0058950100000000, -0.0002396700000000, -0.0084171700000000 ] - [ -0.0043333200000000, 0.0000156700000000, -0.0077608900000000 ] - [ -0.0044476000000000, 0.0009077500000000, -0.0077557800000000 ] - [ -0.0044491600000000, 0.0000699000000000, -0.0077540100000000 ] - [ -0.0074079100000000, -0.0001514200000000, 0.0075205900000000 ] - [ -0.0042090400000000, -0.0000285600000000, 0.0073812700000000 ] - [ -0.0015071500000000, -0.0001775400000000, 0.0075515900000000 ] - [ -0.0047312300000000, -0.0000276300000000, 0.0077045600000000 ] - [ -0.0044675700000000, 0.0006992100000000, 0.0075450200000000 ] - [ -0.0044687200000000, 0.0001149500000000, 0.0075439500000000 ] - [ -0.0045034500000000, -0.0000261100000000, 0.0077781000000000 ] - [ -0.0044354300000000, -0.0000225800000000, 0.0077862400000000 ] - [ -0.0043957900000000, -0.0000232400000000, 0.0077288400000000 ] - [ -0.0044657000000000, -0.0000205300000000, 0.0077198900000000 ] - [ -0.0044516500000000, 0.0003945700000000, 0.0077570000000000 ] - [ -0.0044516900000000, 0.0000881400000000, 0.0077520300000000 ] - [ -0.0098013300000000, -0.0001632800000000, 0.0090409900000000 ] - [ -0.0043639900000000, -0.0000268300000000, 0.0078264200000000 ] - [ 0.0009235800000000, -0.0001663200000000, 0.0064860400000000 ] - [ -0.0045269500000000, -0.0000285600000000, 0.0077016100000000 ] - [ -0.0044452800000000, 0.0006998800000000, 0.0077608600000000 ] - [ -0.0044464300000000, 0.0001141200000000, 0.0077627400000000 ] - [ 0.0044481900000000, -0.0003390600000000, -0.0077674200000000 ] - [ 0.0044324100000000, -0.0003390700000000, -0.0077545500000000 ] - [ 0.0042388300000000, 0.0002662000000000, -0.0077961600000000 ] - [ 0.0048077100000000, 0.0002649400000000, -0.0076172400000000 ] - [ 0.0046502700000000, 0.0002663900000000, -0.0077313800000000 ] - [ 0.0040835300000000, 0.0002676300000000, -0.0079097800000000 ] - [ 0.0044480200000000, -0.0000332200000000, -0.0077537100000000 ] - [ 0.0044481900000000, -0.0000332300000000, -0.0077570300000000 ] - [ 0.0041462600000000, 0.0000564000000000, -0.0075789300000000 ] - [ 0.0044612100000000, 0.0000548100000000, -0.0077634900000000 ] - [ 0.0047507500000000, 0.0000551200000000, -0.0079251000000000 ] - [ 0.0044385900000000, 0.0000567300000000, -0.0077429600000000 ] - [ 0.0044673600000000, -0.0000981400000000, -0.0075429600000000 ] - [ 0.0044674800000000, -0.0000988900000000, -0.0075433100000000 ] - [ 0.0044453200000000, 0.0000480200000000, -0.0075914600000000 ] - [ 0.0045988800000000, 0.0000478300000000, -0.0076613600000000 ] - [ 0.0044914500000000, 0.0000465000000000, -0.0074952700000000 ] - [ 0.0043365400000000, 0.0000474000000000, -0.0074251600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0123294200000000, 0.0000000000000000, 0.0076435100000000 ] - [ 0.0132995900000000, 0.0000000000000000, 0.0067890400000000 ] - [ 0.0132267800000000, -0.0001115600000000, 0.0071487300000000 ] - [ 0.0136208100000000, -0.0000919900000000, 0.0068870100000000 ] - [ 0.0132267800000000, 0.0001115600000000, 0.0071487300000000 ] - [ 0.0136208100000000, 0.0000919900000000, 0.0068870100000000 ] - [ 0.0141986800000000, 0.0000000000000000, 0.0074773500000000 ] - [ 0.0133468500000000, 0.0000000000000000, 0.0068627400000000 ] - [ 0.0137442200000000, -0.0002987500000000, 0.0067491500000000 ] - [ 0.0135451600000000, 0.0000256600000000, 0.0068629000000000 ] - [ 0.0137442200000000, 0.0002987500000000, 0.0067491500000000 ] - [ 0.0135451600000000, -0.0000256600000000, 0.0068629000000000 ] - [ 0.0134593000000000, 0.0000000000000000, 0.0062722000000000 ] - [ 0.0136900300000000, 0.0000000000000000, 0.0067321200000000 ] - [ 0.0136721700000000, 0.0001147800000000, 0.0063997800000000 ] - [ 0.0135770800000000, 0.0000200800000000, 0.0067682500000000 ] - [ 0.0136721700000000, -0.0001147800000000, 0.0063997800000000 ] - [ 0.0135770800000000, -0.0000200800000000, 0.0067682500000000 ] - [ -0.0136346700000000, 0.0012805500000000, -0.0078456600000000 ] - [ -0.0134462300000000, -0.0000266600000000, -0.0067982600000000 ] - [ -0.0136346700000000, -0.0012805500000000, -0.0078456600000000 ] - [ -0.0134462300000000, 0.0000266600000000, -0.0067982600000000 ] - [ -0.0136121500000000, 0.0000000000000000, -0.0055456600000000 ] - [ -0.0135359400000000, 0.0000000000000000, -0.0068122400000000 ] - [ -0.0132397700000000, -0.0001885300000000, -0.0080241500000000 ] - [ -0.0134891600000000, 0.0000024000000000, -0.0068648100000000 ] - [ -0.0132397700000000, 0.0001885300000000, -0.0080241500000000 ] - [ -0.0134891600000000, -0.0000024000000000, -0.0068648100000000 ] - [ -0.0131311000000000, 0.0000000000000000, -0.0094930800000000 ] - [ -0.0135124900000000, 0.0000000000000000, -0.0068453900000000 ] - [ -0.0146709800000000, 0.0089875800000000, 0.0073901300000000 ] - [ -0.0135596300000000, 0.0000364800000000, -0.0067753000000000 ] - [ -0.0146709800000000, -0.0089875800000000, 0.0073901300000000 ] - [ -0.0135596300000000, -0.0000364800000000, -0.0067753000000000 ] - [ -0.0136004600000000, 0.0000000000000000, -0.0063496300000000 ] - [ -0.0135340900000000, 0.0000000000000000, -0.0067935600000000 ] - [ -0.0126094500000000, -0.0002273000000000, 0.0071930700000000 ] - [ -0.0138721300000000, 0.0000415900000000, 0.0069815400000000 ] - [ -0.0126094500000000, 0.0002273000000000, 0.0071930700000000 ] - [ -0.0138721300000000, -0.0000415900000000, 0.0069815400000000 ] - [ -0.0138352300000000, 0.0000000000000000, 0.0069566700000000 ] - [ -0.0134155600000000, 0.0000000000000000, 0.0069914700000000 ] - [ -0.0134235800000000, 0.0000758800000000, 0.0066943300000000 ] - [ -0.0135509400000000, 0.0001089600000000, 0.0067276800000000 ] - [ -0.0134235800000000, -0.0000758800000000, 0.0066943300000000 ] - [ -0.0135509400000000, -0.0001089600000000, 0.0067276800000000 ] - [ -0.0129935600000000, 0.0000000000000000, 0.0067529900000000 ] - [ -0.0135175900000000, 0.0000000000000000, 0.0067819800000000 ] - [ -0.0139957100000000, -0.0001870900000000, 0.0065602000000000 ] - [ -0.0132215400000000, 0.0001069000000000, 0.0068955300000000 ] - [ -0.0139957100000000, 0.0001870900000000, 0.0065602000000000 ] - [ -0.0132215400000000, -0.0001069000000000, 0.0068955300000000 ] - [ -0.0137862200000000, 0.0000000000000000, 0.0066696100000000 ] - [ -0.0134912700000000, 0.0000000000000000, 0.0067360900000000 ] - [ 0.0128887300000000, 0.0000000000000000, -0.0050975200000000 ] - [ 0.0133528900000000, 0.0000000000000000, -0.0068348800000000 ] - [ 0.0136785400000000, 0.0000563800000000, -0.0061100100000000 ] - [ 0.0135562100000000, -0.0000027700000000, -0.0067135800000000 ] - [ 0.0136785400000000, -0.0000563800000000, -0.0061100100000000 ] - [ 0.0135562100000000, 0.0000027700000000, -0.0067135800000000 ] - [ 0.0132249800000000, 0.0000000000000000, -0.0075117400000000 ] - [ 0.0136060000000000, 0.0000000000000000, -0.0068966500000000 ] - [ 0.0131562700000000, -0.0005231200000000, -0.0076137300000000 ] - [ 0.0135743200000000, -0.0000462000000000, -0.0068863900000000 ] - [ 0.0131562700000000, 0.0005231200000000, -0.0076137300000000 ] - [ 0.0135743200000000, 0.0000462000000000, -0.0068863900000000 ] - [ 0.0138625300000000, 0.0000000000000000, -0.0074975500000000 ] - [ 0.0135224400000000, 0.0000000000000000, -0.0067875000000000 ] - [ 0.0139027000000000, 0.0003316400000000, -0.0074705200000000 ] - [ 0.0134605500000000, 0.0000710000000000, -0.0068955000000000 ] - [ 0.0139027000000000, -0.0003316400000000, -0.0074705200000000 ] - [ 0.0134605500000000, -0.0000710000000000, -0.0068955000000000 ] - [ 0.0101955900000000, 0.0000000000000000, -0.0278138300000000 ] - [ 0.0044662800000000, 0.0000000000000000, 0.0077024000000000 ] - [ 0.0048393000000000, -0.0018976800000000, 0.0026224900000000 ] - [ 0.0044384300000000, 0.0000259700000000, 0.0077249200000000 ] - [ 0.0048393000000000, 0.0018976800000000, 0.0026224900000000 ] - [ 0.0044384300000000, -0.0000259700000000, 0.0077249200000000 ] - [ 0.0042281000000000, 0.0000000000000000, 0.0119791200000000 ] - [ 0.0044043800000000, 0.0000000000000000, 0.0078062000000000 ] - [ 0.0045820500000000, 0.0035927000000000, 0.0105111000000000 ] - [ 0.0044009000000000, 0.0000289100000000, 0.0077812800000000 ] - [ 0.0045820500000000, -0.0035927000000000, 0.0105111000000000 ] - [ 0.0044009000000000, -0.0000289100000000, 0.0077812800000000 ] - [ 0.0044949400000000, 0.0000000000000000, 0.0117196900000000 ] - [ 0.0044685700000000, 0.0000000000000000, 0.0075874800000000 ] - [ 0.0043461400000000, -0.0014790900000000, 0.0102894700000000 ] - [ 0.0045102500000000, -0.0000240800000000, 0.0075608300000000 ] - [ 0.0043461400000000, 0.0014790900000000, 0.0102894700000000 ] - [ 0.0045102500000000, 0.0000240800000000, 0.0075608300000000 ] - [ -0.0069580300000000, -0.0016253000000000, -0.0086017100000000 ] - [ -0.0043675100000000, -0.0000187300000000, -0.0075181000000000 ] - [ -0.0069580300000000, 0.0016253000000000, -0.0086017100000000 ] - [ -0.0043675100000000, 0.0000187300000000, -0.0075181000000000 ] - [ -0.0040228300000000, 0.0000000000000000, -0.0080560000000000 ] - [ -0.0045343000000000, 0.0000000000000000, -0.0075363000000000 ] - [ -0.0047285000000000, 0.0001286800000000, -0.0073616600000000 ] - [ -0.0044114600000000, 0.0000064000000000, -0.0076918100000000 ] - [ -0.0047285000000000, -0.0001286800000000, -0.0073616600000000 ] - [ -0.0044114600000000, -0.0000064000000000, -0.0076918100000000 ] - [ -0.0049958900000000, 0.0000000000000000, -0.0073519400000000 ] - [ -0.0044219600000000, 0.0000000000000000, -0.0077660700000000 ] - [ -0.0033309500000000, 0.0006629600000000, -0.0066311500000000 ] - [ -0.0045717200000000, 0.0000083200000000, -0.0078213500000000 ] - [ -0.0033309500000000, -0.0006629600000000, -0.0066311500000000 ] - [ -0.0045717200000000, -0.0000083200000000, -0.0078213500000000 ] - [ -0.0041089900000000, 0.0000000000000000, -0.0075914400000000 ] - [ -0.0045286200000000, 0.0000000000000000, -0.0077724500000000 ] - [ -0.0012013800000000, -0.0012682900000000, 0.0080736700000000 ] - [ -0.0046287200000000, -0.0000627500000000, 0.0075126500000000 ] - [ -0.0012013800000000, 0.0012682900000000, 0.0080736700000000 ] - [ -0.0046287200000000, 0.0000627500000000, 0.0075126500000000 ] - [ -0.0042497300000000, 0.0000000000000000, 0.0074321200000000 ] - [ -0.0044675100000000, 0.0000000000000000, 0.0074857300000000 ] - [ -0.0045775400000000, -0.0000249700000000, 0.0083638100000000 ] - [ -0.0044730900000000, -0.0000339600000000, 0.0078688300000000 ] - [ -0.0045775400000000, 0.0000249700000000, 0.0083638100000000 ] - [ -0.0044730900000000, 0.0000339600000000, 0.0078688300000000 ] - [ -0.0046923100000000, 0.0000000000000000, 0.0082614700000000 ] - [ -0.0044926600000000, 0.0000000000000000, 0.0079247100000000 ] - [ -0.0087791000000000, 0.0000145700000000, 0.0083044900000000 ] - [ -0.0042914800000000, 0.0001625400000000, 0.0077348400000000 ] - [ -0.0087791000000000, -0.0000145700000000, 0.0083044900000000 ] - [ -0.0042914800000000, -0.0001625400000000, 0.0077348400000000 ] - [ -0.0047980800000000, 0.0000000000000000, 0.0076468700000000 ] - [ -0.0043967500000000, 0.0000000000000000, 0.0077047300000000 ] - [ 0.0058915400000000, 0.0000000000000000, -0.0087159300000000 ] - [ 0.0053034500000000, 0.0000000000000000, -0.0087067200000000 ] - [ 0.0045902200000000, 0.0001453400000000, -0.0079572600000000 ] - [ 0.0041318100000000, -0.0000335500000000, -0.0079572800000000 ] - [ 0.0045902200000000, -0.0001453400000000, -0.0079572600000000 ] - [ 0.0041318100000000, 0.0000335500000000, -0.0079572800000000 ] - [ 0.0037166700000000, 0.0000000000000000, -0.0074238900000000 ] - [ 0.0047786700000000, 0.0000000000000000, -0.0074272600000000 ] - [ 0.0042797300000000, -0.0000102500000000, -0.0078283000000000 ] - [ 0.0045475600000000, 0.0001723100000000, -0.0078284100000000 ] - [ 0.0042797300000000, 0.0000102500000000, -0.0078283000000000 ] - [ 0.0045475600000000, -0.0001723100000000, -0.0078284100000000 ] - [ 0.0044939700000000, 0.0000000000000000, -0.0073554100000000 ] - [ 0.0042982800000000, 0.0000000000000000, -0.0073544600000000 ] - [ 0.0042976500000000, -0.0001172200000000, -0.0073511900000000 ] - [ 0.0044311100000000, -0.0000480200000000, -0.0073501200000000 ] - [ 0.0042976500000000, 0.0001172200000000, -0.0073511900000000 ] - [ 0.0044311100000000, 0.0000480200000000, -0.0073501200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0147033000000000, 0.0000000000000000, 0.0060049100000000 ] - [ 0.0137553700000000, 0.0000000000000000, 0.0068641800000000 ] - [ 0.0138227900000000, 0.0001119500000000, 0.0065040800000000 ] - [ 0.0134272100000000, 0.0000918100000000, 0.0067659300000000 ] - [ 0.0138227900000000, -0.0001119500000000, 0.0065040800000000 ] - [ 0.0134272100000000, -0.0000918100000000, 0.0067659300000000 ] - [ 0.0128536700000000, 0.0000000000000000, 0.0061777200000000 ] - [ 0.0136936800000000, 0.0000000000000000, 0.0067842000000000 ] - [ 0.0132964100000000, 0.0003031100000000, 0.0069035500000000 ] - [ 0.0134961300000000, -0.0000251600000000, 0.0067849200000000 ] - [ 0.0132964100000000, -0.0003031100000000, 0.0069035500000000 ] - [ 0.0134961300000000, 0.0000251600000000, 0.0067849200000000 ] - [ 0.0135912900000000, 0.0000000000000000, 0.0073747500000000 ] - [ 0.0133594000000000, 0.0000000000000000, 0.0069170500000000 ] - [ 0.0133744000000000, -0.0001153700000000, 0.0072457200000000 ] - [ 0.0134743100000000, -0.0000198800000000, 0.0068807800000000 ] - [ 0.0133744000000000, 0.0001153700000000, 0.0072457200000000 ] - [ 0.0134743100000000, 0.0000198800000000, 0.0068807800000000 ] - [ -0.0134221000000000, -0.0013015000000000, -0.0057777000000000 ] - [ -0.0136028200000000, 0.0000261700000000, -0.0068501000000000 ] - [ -0.0134221000000000, 0.0013015000000000, -0.0057777000000000 ] - [ -0.0136028200000000, -0.0000261700000000, -0.0068501000000000 ] - [ -0.0134429300000000, 0.0000000000000000, -0.0081066100000000 ] - [ -0.0135137200000000, 0.0000000000000000, -0.0068363500000000 ] - [ -0.0138032200000000, 0.0001955000000000, -0.0056312600000000 ] - [ -0.0135520600000000, -0.0000027200000000, -0.0067812500000000 ] - [ -0.0138032200000000, -0.0001955000000000, -0.0056312600000000 ] - [ -0.0135520600000000, 0.0000027200000000, -0.0067812500000000 ] - [ -0.0139021000000000, 0.0000000000000000, -0.0041875500000000 ] - [ -0.0135283600000000, 0.0000000000000000, -0.0067999800000000 ] - [ -0.0122815500000000, -0.0094534600000000, -0.0214321300000000 ] - [ -0.0134889700000000, -0.0000359200000000, -0.0068763400000000 ] - [ -0.0122815500000000, 0.0094534600000000, -0.0214321300000000 ] - [ -0.0134889700000000, 0.0000359200000000, -0.0068763400000000 ] - [ -0.0134517300000000, 0.0000000000000000, -0.0072970800000000 ] - [ -0.0135136600000000, 0.0000000000000000, -0.0068585300000000 ] - [ -0.0144460600000000, 0.0002316900000000, 0.0064541200000000 ] - [ -0.0131756000000000, -0.0000420300000000, 0.0066682800000000 ] - [ -0.0144460600000000, -0.0002316900000000, 0.0064541200000000 ] - [ -0.0131756000000000, 0.0000420300000000, 0.0066682800000000 ] - [ -0.0132117600000000, 0.0000000000000000, 0.0066933700000000 ] - [ -0.0136352600000000, 0.0000000000000000, 0.0066586100000000 ] - [ -0.0136230400000000, -0.0000746000000000, 0.0069582400000000 ] - [ -0.0134972800000000, -0.0001090000000000, 0.0069269100000000 ] - [ -0.0136230400000000, 0.0000746000000000, 0.0069582400000000 ] - [ -0.0134972800000000, 0.0001090000000000, 0.0069269100000000 ] - [ -0.0140521800000000, 0.0000000000000000, 0.0068990000000000 ] - [ -0.0135305000000000, 0.0000000000000000, 0.0068696100000000 ] - [ -0.0130471200000000, 0.0001850200000000, 0.0070862600000000 ] - [ -0.0138221600000000, -0.0001078400000000, 0.0067513500000000 ] - [ -0.0130471200000000, -0.0001850200000000, 0.0070862600000000 ] - [ -0.0138221600000000, 0.0001078400000000, 0.0067513500000000 ] - [ -0.0132576200000000, 0.0000000000000000, 0.0069767500000000 ] - [ -0.0135495700000000, 0.0000000000000000, 0.0069119200000000 ] - [ 0.0141158300000000, 0.0000000000000000, -0.0085523700000000 ] - [ 0.0136870100000000, 0.0000000000000000, -0.0068108900000000 ] - [ 0.0133586500000000, -0.0000576800000000, -0.0075369400000000 ] - [ 0.0134862300000000, 0.0000020700000000, -0.0069319400000000 ] - [ 0.0133586500000000, 0.0000576800000000, -0.0075369400000000 ] - [ 0.0134862300000000, -0.0000020700000000, -0.0069319400000000 ] - [ 0.0138193700000000, 0.0000000000000000, -0.0061487300000000 ] - [ 0.0134444700000000, 0.0000000000000000, -0.0067562400000000 ] - [ 0.0138870600000000, 0.0005160400000000, -0.0060506600000000 ] - [ 0.0134747800000000, 0.0000468500000000, -0.0067655400000000 ] - [ 0.0138870600000000, -0.0005160400000000, -0.0060506600000000 ] - [ 0.0134747800000000, -0.0000468500000000, -0.0067655400000000 ] - [ 0.0131845400000000, 0.0000000000000000, -0.0061540600000000 ] - [ 0.0135264900000000, 0.0000000000000000, -0.0068617800000000 ] - [ 0.0131566100000000, -0.0003181800000000, -0.0061933100000000 ] - [ 0.0135886300000000, -0.0000700400000000, -0.0067538900000000 ] - [ 0.0131566100000000, 0.0003181800000000, -0.0061933100000000 ] - [ 0.0135886300000000, 0.0000700400000000, -0.0067538900000000 ] - [ -0.0014291200000000, 0.0000000000000000, 0.0439962100000000 ] - [ 0.0044353300000000, 0.0000000000000000, 0.0078020800000000 ] - [ 0.0040619300000000, 0.0018972900000000, 0.0128774300000000 ] - [ 0.0044618500000000, -0.0000255500000000, 0.0077794200000000 ] - [ 0.0040619300000000, -0.0018972900000000, 0.0128774300000000 ] - [ 0.0044618500000000, 0.0000255500000000, 0.0077794200000000 ] - [ 0.0046629500000000, 0.0000000000000000, 0.0036121500000000 ] - [ 0.0044850200000000, 0.0000000000000000, 0.0077190800000000 ] - [ 0.0043094800000000, -0.0035560700000000, 0.0050565600000000 ] - [ 0.0044897700000000, -0.0000288000000000, 0.0077452600000000 ] - [ 0.0043094800000000, 0.0035560700000000, 0.0050565600000000 ] - [ 0.0044897700000000, 0.0000288000000000, 0.0077452600000000 ] - [ 0.0044479800000000, 0.0000000000000000, 0.0033432100000000 ] - [ 0.0044696600000000, 0.0000000000000000, 0.0075004200000000 ] - [ 0.0045897600000000, 0.0014542600000000, 0.0048346600000000 ] - [ 0.0044273500000000, 0.0000258800000000, 0.0075254600000000 ] - [ 0.0045897600000000, -0.0014542600000000, 0.0048346600000000 ] - [ 0.0044273500000000, -0.0000258800000000, 0.0075254600000000 ] - [ -0.0019691800000000, 0.0016361500000000, -0.0065152800000000 ] - [ -0.0045738600000000, 0.0000180000000000, -0.0075677700000000 ] - [ -0.0019691800000000, -0.0016361500000000, -0.0065152800000000 ] - [ -0.0045738600000000, -0.0000180000000000, -0.0075677700000000 ] - [ -0.0049184300000000, 0.0000000000000000, -0.0070283100000000 ] - [ -0.0044032500000000, 0.0000000000000000, -0.0075491800000000 ] - [ -0.0041688800000000, -0.0001298900000000, -0.0081606000000000 ] - [ -0.0044808000000000, -0.0000080700000000, -0.0078327600000000 ] - [ -0.0041688800000000, 0.0001298900000000, -0.0081606000000000 ] - [ -0.0044808000000000, 0.0000080700000000, -0.0078327600000000 ] - [ -0.0039006500000000, 0.0000000000000000, -0.0081727500000000 ] - [ -0.0044697700000000, 0.0000000000000000, -0.0077578800000000 ] - [ -0.0055732700000000, -0.0006650900000000, -0.0088761600000000 ] - [ -0.0043302600000000, -0.0000087300000000, -0.0076814600000000 ] - [ -0.0055732700000000, 0.0006650900000000, -0.0088761600000000 ] - [ -0.0043302600000000, 0.0000087300000000, -0.0076814600000000 ] - [ -0.0047898700000000, 0.0000000000000000, -0.0079139000000000 ] - [ -0.0043725800000000, 0.0000000000000000, -0.0077328900000000 ] - [ -0.0076976600000000, 0.0012870700000000, 0.0069891500000000 ] - [ -0.0043110200000000, 0.0000611600000000, 0.0075707700000000 ] - [ -0.0076976600000000, -0.0012870700000000, 0.0069891500000000 ] - [ -0.0043110200000000, -0.0000611600000000, 0.0075707700000000 ] - [ -0.0046832700000000, 0.0000000000000000, 0.0076551000000000 ] - [ -0.0044717900000000, 0.0000000000000000, 0.0076010500000000 ] - [ -0.0043244300000000, 0.0000236400000000, 0.0071458300000000 ] - [ -0.0044293700000000, 0.0000323800000000, 0.0076367500000000 ] - [ -0.0043244300000000, -0.0000236400000000, 0.0071458300000000 ] - [ -0.0044293700000000, -0.0000323800000000, 0.0076367500000000 ] - [ -0.0042142500000000, 0.0000000000000000, 0.0072582700000000 ] - [ -0.0044118900000000, 0.0000000000000000, 0.0075795800000000 ] - [ -0.0001249000000000, -0.0000162300000000, 0.0072202800000000 ] - [ -0.0045999700000000, -0.0001613100000000, 0.0077924400000000 ] - [ -0.0001249000000000, 0.0000162300000000, 0.0072202800000000 ] - [ -0.0045999700000000, 0.0001613100000000, 0.0077924400000000 ] - [ -0.0040931300000000, 0.0000000000000000, 0.0078698000000000 ] - [ -0.0044966000000000, 0.0000000000000000, 0.0078197600000000 ] - [ 0.0029938000000000, 0.0000000000000000, -0.0068120600000000 ] - [ 0.0035686300000000, 0.0000000000000000, -0.0068022000000000 ] - [ 0.0043030200000000, -0.0001462000000000, -0.0075683600000000 ] - [ 0.0047622700000000, 0.0000317300000000, -0.0075680600000000 ] - [ 0.0043030200000000, 0.0001462000000000, -0.0075683600000000 ] - [ 0.0047622700000000, -0.0000317300000000, -0.0075680600000000 ] - [ 0.0051782000000000, 0.0000000000000000, -0.0080790900000000 ] - [ 0.0041216300000000, 0.0000000000000000, -0.0080831100000000 ] - [ 0.0046226300000000, 0.0000108700000000, -0.0076754400000000 ] - [ 0.0043559400000000, -0.0001730000000000, -0.0076767000000000 ] - [ 0.0046226300000000, -0.0000108700000000, -0.0076754400000000 ] - [ 0.0043559400000000, 0.0001730000000000, -0.0076767000000000 ] - [ 0.0044449300000000, 0.0000000000000000, -0.0077282600000000 ] - [ 0.0046404300000000, 0.0000000000000000, -0.0077283600000000 ] - [ 0.0046426200000000, 0.0001186400000000, -0.0077331800000000 ] - [ 0.0045062900000000, 0.0000487400000000, -0.0077326500000000 ] - [ 0.0046426200000000, -0.0001186400000000, -0.0077331800000000 ] - [ 0.0045062900000000, -0.0000487400000000, -0.0077326500000000 ]