# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e332c7db-7750-4ad3-972d-9a8383d7dc12/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 KAlTe2 / I4/mcm (140) / materials id 10165](https://mdr.nims.go.jp/datasets/209c1a4d-07fe-438f-b924-d2382097f9b1) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4/mcm" number: 140 Hall_symbol: "-I 4 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -4.263627970000000, 4.263627970000000, 3.455800295000000 ] # a - [ 4.263627970000000, -4.263627970000000, 3.455800295000000 ] # b - [ 4.263627970000000, 4.263627970000000, -3.455800295000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 2 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 26.981539 - symbol: K # 3 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 39.098300 - symbol: Te # 5 coordinates: [ 0.833025980000000, 0.666974020000000, 0.500000000000000 ] mass: 127.600000 - symbol: Te # 6 coordinates: [ 0.666974020000000, 0.166974020000000, 0.833948040000000 ] mass: 127.600000 - symbol: Te # 7 coordinates: [ 0.333025980000000, 0.833025980000000, 0.166051960000000 ] mass: 127.600000 - symbol: Te # 8 coordinates: [ 0.166974020000000, 0.333025980000000, 0.500000000000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.117271019778961, 0.144684286509096 ] # a* - [ 0.117271019778961, 0.000000000000000, 0.144684286509096 ] # b* - [ 0.117271019778961, 0.117271019778961, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.527255940000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.527255940000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.911600590000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 2 - symbol: Al # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 2 - symbol: K # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: Te # 9 coordinates: [ 0.166974020000000, 0.333025980000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.166974020000000, 0.666974020000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 10 - symbol: Te # 11 coordinates: [ 0.833025980000000, 0.333025980000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 12 coordinates: [ 0.833025980000000, 0.666974020000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 12 - symbol: Te # 13 coordinates: [ 0.666974020000000, 0.833025980000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 14 coordinates: [ 0.666974020000000, 0.166974020000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 10 - symbol: Te # 15 coordinates: [ 0.333025980000000, 0.833025980000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 16 coordinates: [ 0.333025980000000, 0.166974020000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 12supercell: lattice: - [ 17.054511880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.054511880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.823201180000000 ] # c points: - symbol: Al # 1 coordinates: [ 0.000000000000000, 0.250000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 2 coordinates: [ 0.500000000000000, 0.250000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 3 coordinates: [ 0.000000000000000, 0.750000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 4 coordinates: [ 0.500000000000000, 0.750000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 5 coordinates: [ 0.000000000000000, 0.250000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 6 coordinates: [ 0.500000000000000, 0.250000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 7 coordinates: [ 0.000000000000000, 0.750000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 8 coordinates: [ 0.500000000000000, 0.750000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 9 coordinates: [ 0.000000000000000, 0.250000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.500000000000000, 0.250000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 11 coordinates: [ 0.000000000000000, 0.750000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 12 coordinates: [ 0.500000000000000, 0.750000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.250000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 16 coordinates: [ 0.500000000000000, 0.750000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 17 coordinates: [ 0.250000000000000, 0.000000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 18 coordinates: [ 0.750000000000000, 0.000000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 19 coordinates: [ 0.250000000000000, 0.500000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 20 coordinates: [ 0.750000000000000, 0.500000000000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 21 coordinates: [ 0.250000000000000, 0.000000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 22 coordinates: [ 0.750000000000000, 0.000000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 23 coordinates: [ 0.250000000000000, 0.500000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 24 coordinates: [ 0.750000000000000, 0.500000000000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 1 - symbol: Al # 25 coordinates: [ 0.250000000000000, 0.000000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 26 coordinates: [ 0.750000000000000, 0.000000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 27 coordinates: [ 0.250000000000000, 0.500000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 28 coordinates: [ 0.750000000000000, 0.500000000000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 29 coordinates: [ 0.250000000000000, 0.000000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 30 coordinates: [ 0.750000000000000, 0.000000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 31 coordinates: [ 0.250000000000000, 0.500000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 32 coordinates: [ 0.750000000000000, 0.500000000000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 9 - symbol: K # 33 coordinates: [ 0.250000000000000, 0.250000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 34 coordinates: [ 0.750000000000000, 0.250000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 35 coordinates: [ 0.250000000000000, 0.750000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 36 coordinates: [ 0.750000000000000, 0.750000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 37 coordinates: [ 0.250000000000000, 0.250000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 38 coordinates: [ 0.750000000000000, 0.250000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 39 coordinates: [ 0.250000000000000, 0.750000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 40 coordinates: [ 0.750000000000000, 0.750000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 41 coordinates: [ 0.250000000000000, 0.250000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 42 coordinates: [ 0.750000000000000, 0.250000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 43 coordinates: [ 0.250000000000000, 0.750000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 44 coordinates: [ 0.750000000000000, 0.750000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 45 coordinates: [ 0.250000000000000, 0.250000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 47 coordinates: [ 0.250000000000000, 0.750000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 48 coordinates: [ 0.750000000000000, 0.750000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 49 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 50 coordinates: [ 0.500000000000000, 0.000000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 51 coordinates: [ 0.000000000000000, 0.500000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 52 coordinates: [ 0.500000000000000, 0.500000000000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 55 coordinates: [ 0.000000000000000, 0.500000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 41 - symbol: Te # 65 coordinates: [ 0.083487010000000, 0.166512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 66 coordinates: [ 0.583487010000000, 0.166512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 67 coordinates: [ 0.083487010000000, 0.666512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 68 coordinates: [ 0.583487010000000, 0.666512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 69 coordinates: [ 0.083487010000000, 0.166512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 70 coordinates: [ 0.583487010000000, 0.166512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 71 coordinates: [ 0.083487010000000, 0.666512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 72 coordinates: [ 0.583487010000000, 0.666512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 73 coordinates: [ 0.083487010000000, 0.333487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.583487010000000, 0.333487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 75 coordinates: [ 0.083487010000000, 0.833487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 76 coordinates: [ 0.583487010000000, 0.833487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 77 coordinates: [ 0.083487010000000, 0.333487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 78 coordinates: [ 0.583487010000000, 0.333487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 79 coordinates: [ 0.083487010000000, 0.833487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 80 coordinates: [ 0.583487010000000, 0.833487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 81 coordinates: [ 0.416512990000000, 0.166512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 82 coordinates: [ 0.916512990000000, 0.166512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 83 coordinates: [ 0.416512990000000, 0.666512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 84 coordinates: [ 0.916512990000000, 0.666512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 85 coordinates: [ 0.416512990000000, 0.166512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 86 coordinates: [ 0.916512990000000, 0.166512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 87 coordinates: [ 0.416512990000000, 0.666512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 88 coordinates: [ 0.916512990000000, 0.666512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 89 coordinates: [ 0.416512990000000, 0.333487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 90 coordinates: [ 0.916512990000000, 0.333487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 91 coordinates: [ 0.416512990000000, 0.833487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 92 coordinates: [ 0.916512990000000, 0.833487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 93 coordinates: [ 0.416512990000000, 0.333487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 94 coordinates: [ 0.916512990000000, 0.333487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 95 coordinates: [ 0.416512990000000, 0.833487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 96 coordinates: [ 0.916512990000000, 0.833487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 97 coordinates: [ 0.333487010000000, 0.416512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 98 coordinates: [ 0.833487010000000, 0.416512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 99 coordinates: [ 0.333487010000000, 0.916512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 100 coordinates: [ 0.833487010000000, 0.916512990000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 101 coordinates: [ 0.333487010000000, 0.416512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 102 coordinates: [ 0.833487010000000, 0.416512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 103 coordinates: [ 0.333487010000000, 0.916512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 104 coordinates: [ 0.833487010000000, 0.916512990000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 105 coordinates: [ 0.333487010000000, 0.083487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 106 coordinates: [ 0.833487010000000, 0.083487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 107 coordinates: [ 0.333487010000000, 0.583487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 108 coordinates: [ 0.833487010000000, 0.583487010000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 109 coordinates: [ 0.333487010000000, 0.083487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 110 coordinates: [ 0.833487010000000, 0.083487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 111 coordinates: [ 0.333487010000000, 0.583487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 112 coordinates: [ 0.833487010000000, 0.583487010000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 113 coordinates: [ 0.166512990000000, 0.416512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 114 coordinates: [ 0.666512990000000, 0.416512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 115 coordinates: [ 0.166512990000000, 0.916512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 116 coordinates: [ 0.666512990000000, 0.916512990000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 117 coordinates: [ 0.166512990000000, 0.416512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 118 coordinates: [ 0.666512990000000, 0.416512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 119 coordinates: [ 0.166512990000000, 0.916512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 120 coordinates: [ 0.666512990000000, 0.916512990000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 121 coordinates: [ 0.166512990000000, 0.083487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 122 coordinates: [ 0.666512990000000, 0.083487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 123 coordinates: [ 0.166512990000000, 0.583487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 124 coordinates: [ 0.666512990000000, 0.583487010000000, 0.000000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 125 coordinates: [ 0.166512990000000, 0.083487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 126 coordinates: [ 0.666512990000000, 0.083487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 127 coordinates: [ 0.166512990000000, 0.583487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 128 coordinates: [ 0.666512990000000, 0.583487010000000, 0.500000000000000 ] mass: 127.600000 reduced_to: 89born_effective_charge:- # 1 (Al) - [ 1.856136220000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.856136220000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.515855930000000 ]- # 2 (Al) - [ 1.856136220000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.856136220000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 3.515855930000000 ]- # 3 (K) - [ 1.402190510000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.402190510000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 0.984751040000000 ]- # 4 (K) - [ 1.402190510000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.402190510000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 0.984751040000000 ]- # 5 (Te) - [ -1.629163360000000, 0.253759420000000, -0.000000000000000 ] - [ 0.253759420000000, -1.629163360000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -2.250303480000000 ]- # 6 (Te) - [ -1.629163360000000, -0.253759420000000, -0.000000000000000 ] - [ -0.253759420000000, -1.629163360000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -2.250303480000000 ]- # 7 (Te) - [ -1.629163360000000, -0.253759420000000, -0.000000000000000 ] - [ -0.253759420000000, -1.629163360000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -2.250303480000000 ]- # 8 (Te) - [ -1.629163360000000, 0.253759420000000, -0.000000000000000 ] - [ 0.253759420000000, -1.629163360000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -2.250303480000000 ]dielectric_constant: - [ 6.198094970000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.198094970000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.736286480000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0691676200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003467800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002147800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002713700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003982400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002200000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003724400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002167900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0069018300000000, 0.0068768500000000, -0.0000140700000000 ] - [ 0.0002782400000000, -0.0000745600000000, 0.0000004000000000 ] - [ -0.0002939900000000, -0.0000748300000000, 0.0000002500000000 ] - [ 0.0002459700000000, -0.0000293300000000, 0.0000002700000000 ] - [ -0.0069018300000000, -0.0068768500000000, 0.0000140700000000 ] - [ 0.0002782400000000, 0.0000745600000000, -0.0000004000000000 ] - [ -0.0002939900000000, 0.0000748300000000, -0.0000002500000000 ] - [ 0.0002459700000000, 0.0000293300000000, -0.0000002700000000 ] - [ 0.0003952300000000, -0.0002318200000000, 0.0000865300000000 ] - [ 0.0003947900000000, 0.0002324800000000, -0.0005104700000000 ] - [ 0.0003990100000000, 0.0002350600000000, 0.0005180000000000 ] - [ 0.0003986700000000, -0.0002357100000000, -0.0000857100000000 ] - [ 0.0003990100000000, -0.0002350600000000, -0.0005180000000000 ] - [ 0.0003986700000000, 0.0002357100000000, 0.0000857100000000 ] - [ 0.0003952300000000, 0.0002318200000000, -0.0000865300000000 ] - [ 0.0003947900000000, -0.0002324800000000, 0.0005104700000000 ] - [ 0.0004518300000000, -0.0000834100000000, 0.0001195200000000 ] - [ 0.0004501900000000, 0.0000824800000000, 0.0001128900000000 ] - [ 0.0004518300000000, 0.0000834100000000, -0.0001195200000000 ] - [ 0.0004501900000000, -0.0000824800000000, -0.0001128900000000 ] - [ 0.0002132000000000, -0.0003514000000000, 0.0002533200000000 ] - [ 0.0002156000000000, 0.0003539400000000, 0.0002559600000000 ] - [ 0.0002132000000000, 0.0003514000000000, -0.0002533200000000 ] - [ 0.0002156000000000, -0.0003539400000000, -0.0002559600000000 ] - [ 0.0021148100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0020880500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000025800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000033900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000732900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000744600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000196300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000196500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005239600000000, 0.0001212000000000, 0.0003921200000000 ] - [ 0.0005247200000000, 0.0001252100000000, -0.0003916000000000 ] - [ 0.0000096600000000, -0.0000233800000000, 0.0000320200000000 ] - [ 0.0000096300000000, -0.0000234800000000, -0.0000318400000000 ] - [ 0.0005239600000000, -0.0001212000000000, -0.0003921200000000 ] - [ 0.0005247200000000, -0.0001252100000000, 0.0003916000000000 ] - [ 0.0000096600000000, 0.0000233800000000, -0.0000320200000000 ] - [ 0.0000096300000000, 0.0000234800000000, 0.0000318400000000 ] - [ -0.0006715600000000, -0.0007527700000000, 0.0002854900000000 ] - [ 0.0001894800000000, 0.0000054600000000, -0.0000001400000000 ] - [ -0.0006740900000000, -0.0007510900000000, -0.0002842900000000 ] - [ 0.0001899600000000, 0.0000052500000000, 0.0000003500000000 ] - [ -0.0006740900000000, 0.0007510900000000, 0.0002842900000000 ] - [ 0.0001899600000000, -0.0000052500000000, -0.0000003500000000 ] - [ -0.0006715600000000, 0.0007527700000000, -0.0002854900000000 ] - [ 0.0001894800000000, -0.0000054600000000, 0.0000001400000000 ] - [ -0.0008857800000000, 0.0000030100000000, -0.0008875700000000 ] - [ 0.0002001000000000, 0.0000004100000000, 0.0000019800000000 ] - [ -0.0008857800000000, -0.0000030100000000, 0.0008875700000000 ] - [ 0.0002001000000000, -0.0000004100000000, -0.0000019800000000 ] - [ -0.0002628300000000, -0.0000003400000000, 0.0001940800000000 ] - [ 0.0001742400000000, -0.0000000800000000, -0.0000026800000000 ] - [ -0.0002628300000000, 0.0000003400000000, -0.0001940800000000 ] - [ 0.0001742400000000, 0.0000000800000000, 0.0000026800000000 ] - [ 0.0278984100000000, -0.0229356400000000, 0.0137077800000000 ] - [ 0.0084022400000000, -0.0086777700000000, 0.0000156400000000 ] - [ 0.0089450400000000, -0.0086954500000000, -0.0000198200000000 ] - [ 0.0084814000000000, -0.0086765000000000, -0.0000048000000000 ] - [ 0.0097889100000000, -0.0078767900000000, -0.0001448400000000 ] - [ 0.0085018200000000, -0.0086800300000000, -0.0000073900000000 ] - [ 0.0089119400000000, -0.0088140200000000, 0.0000179000000000 ] - [ 0.0085459400000000, -0.0086966000000000, 0.0000025400000000 ] - [ 0.0278984100000000, 0.0229356400000000, -0.0137077800000000 ] - [ 0.0084022400000000, 0.0086777700000000, -0.0000156400000000 ] - [ 0.0089450400000000, 0.0086954500000000, 0.0000198200000000 ] - [ 0.0084814000000000, 0.0086765000000000, 0.0000048000000000 ] - [ 0.0097889100000000, 0.0078767900000000, 0.0001448400000000 ] - [ 0.0085018200000000, 0.0086800300000000, 0.0000073900000000 ] - [ 0.0089119400000000, 0.0088140200000000, -0.0000179000000000 ] - [ 0.0085459400000000, 0.0086966000000000, -0.0000025400000000 ] - [ -0.0090226200000000, -0.0087466300000000, 0.0000160600000000 ] - [ 0.0103053300000000, 0.0051971400000000, 0.0133311800000000 ] - [ -0.0089432000000000, -0.0087479200000000, -0.0000045200000000 ] - [ -0.0084793400000000, -0.0087292600000000, -0.0000197900000000 ] - [ -0.0089228400000000, -0.0087446400000000, -0.0000075000000000 ] - [ -0.0076338600000000, -0.0095502200000000, -0.0001483200000000 ] - [ -0.0088786700000000, -0.0087280600000000, 0.0000024800000000 ] - [ -0.0085127000000000, -0.0086107100000000, 0.0000178600000000 ] - [ -0.0090226200000000, 0.0087466300000000, -0.0000160600000000 ] - [ 0.0103053300000000, -0.0051971400000000, -0.0133311800000000 ] - [ -0.0089432000000000, 0.0087479200000000, 0.0000045200000000 ] - [ -0.0084793400000000, 0.0087292600000000, 0.0000197900000000 ] - [ -0.0089228400000000, 0.0087446400000000, 0.0000075000000000 ] - [ -0.0076338600000000, 0.0095502200000000, 0.0001483200000000 ] - [ -0.0088786700000000, 0.0087280600000000, -0.0000024800000000 ] - [ -0.0085127000000000, 0.0086107100000000, -0.0000178600000000 ] - [ 0.0085553400000000, -0.0088074300000000, 0.0000436500000000 ] - [ 0.0085838200000000, -0.0084173000000000, -0.0003342100000000 ] - [ 0.0083965400000000, -0.0085126900000000, 0.0000233500000000 ] - [ 0.0084212400000000, -0.0091017600000000, 0.0000170900000000 ] - [ 0.0085023500000000, -0.0087406100000000, 0.0000435100000000 ] - [ 0.0084869400000000, -0.0084334900000000, 0.0002658200000000 ] - [ 0.0085436500000000, -0.0085523200000000, -0.0000182600000000 ] - [ 0.0087809600000000, -0.0089219900000000, -0.0000062400000000 ] - [ 0.0085553400000000, 0.0088074300000000, -0.0000436500000000 ] - [ 0.0085838200000000, 0.0084173000000000, 0.0003342100000000 ] - [ 0.0083965400000000, 0.0085126900000000, -0.0000233500000000 ] - [ 0.0084212400000000, 0.0091017600000000, -0.0000170900000000 ] - [ 0.0085023500000000, 0.0087406100000000, -0.0000435100000000 ] - [ 0.0084869400000000, 0.0084334900000000, -0.0002658200000000 ] - [ 0.0085436500000000, 0.0085523200000000, 0.0000182600000000 ] - [ 0.0087809600000000, 0.0089219900000000, 0.0000062400000000 ] - [ -0.0088483600000000, -0.0090134400000000, -0.0003384400000000 ] - [ -0.0088704500000000, -0.0086169500000000, 0.0000415300000000 ] - [ -0.0090035300000000, -0.0083236900000000, 0.0000152100000000 ] - [ -0.0090254200000000, -0.0089097500000000, 0.0000234300000000 ] - [ -0.0089362500000000, -0.0089893600000000, 0.0002629200000000 ] - [ -0.0089227500000000, -0.0086838900000000, 0.0000465700000000 ] - [ -0.0086439000000000, -0.0085034500000000, -0.0000026800000000 ] - [ -0.0088817600000000, -0.0088732900000000, -0.0000180500000000 ] - [ -0.0088483600000000, 0.0090134400000000, 0.0003384400000000 ] - [ -0.0088704500000000, 0.0086169500000000, -0.0000415300000000 ] - [ -0.0090035300000000, 0.0083236900000000, -0.0000152100000000 ] - [ -0.0090254200000000, 0.0089097500000000, -0.0000234300000000 ] - [ -0.0089362500000000, 0.0089893600000000, -0.0002629200000000 ] - [ -0.0089227500000000, 0.0086838900000000, -0.0000465700000000 ] - [ -0.0086439000000000, 0.0085034500000000, 0.0000026800000000 ] - [ -0.0088817600000000, 0.0088732900000000, 0.0000180500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0916243400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003574400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003574400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001470100000000 ] - [ 0.0005128800000000, -0.0005128800000000, 0.0003907500000000 ] - [ -0.0000869900000000, -0.0000869900000000, 0.0003903800000000 ] - [ 0.0000869900000000, 0.0000869900000000, 0.0003903800000000 ] - [ -0.0005128800000000, 0.0005128800000000, 0.0003907500000000 ] - [ -0.0000857000000000, 0.0000857000000000, 0.0003871000000000 ] - [ 0.0005160700000000, 0.0005160700000000, 0.0003868300000000 ] - [ -0.0005160700000000, -0.0005160700000000, 0.0003868300000000 ] - [ 0.0000857000000000, -0.0000857000000000, 0.0003871000000000 ] - [ 0.0001170900000000, -0.0001170900000000, -0.0012837600000000 ] - [ 0.0001151000000000, 0.0001151000000000, -0.0012848800000000 ] - [ -0.0001151000000000, -0.0001151000000000, -0.0012848800000000 ] - [ -0.0001170900000000, 0.0001170900000000, -0.0012837600000000 ] - [ 0.0002530800000000, -0.0002530800000000, 0.0005388000000000 ] - [ 0.0002564300000000, 0.0002564300000000, 0.0005416600000000 ] - [ -0.0002564300000000, -0.0002564300000000, 0.0005416600000000 ] - [ -0.0002530800000000, 0.0002530800000000, 0.0005388000000000 ] - [ -0.0000019500000000, 0.0008392500000000, -0.0013694300000000 ] - [ 0.0000019500000000, -0.0008392500000000, -0.0013694300000000 ] - [ -0.0000000900000000, -0.0001466900000000, -0.0001783500000000 ] - [ 0.0000000900000000, 0.0001466900000000, -0.0001783500000000 ] - [ 0.0000005600000000, 0.0000082500000000, 0.0003660800000000 ] - [ -0.0000005600000000, -0.0000082500000000, 0.0003660800000000 ] - [ 0.0000000000000000, -0.0000701300000000, 0.0000785800000000 ] - [ 0.0000000000000000, 0.0000701300000000, 0.0000785800000000 ] - [ 0.0008758300000000, 0.0004758900000000, 0.0004582300000000 ] - [ -0.0008758300000000, -0.0004758900000000, 0.0004582300000000 ] - [ 0.0000097600000000, -0.0001081500000000, 0.0000503500000000 ] - [ -0.0000097600000000, 0.0001081500000000, 0.0000503500000000 ] - [ -0.0008753200000000, 0.0004777400000000, 0.0004558400000000 ] - [ 0.0008753200000000, -0.0004777400000000, 0.0004558400000000 ] - [ -0.0000097700000000, -0.0001079900000000, 0.0000498300000000 ] - [ 0.0000097700000000, 0.0001079900000000, 0.0000498300000000 ] - [ -0.0004758900000000, -0.0008758300000000, 0.0004582300000000 ] - [ 0.0001081500000000, -0.0000097600000000, 0.0000503500000000 ] - [ 0.0004758900000000, 0.0008758300000000, 0.0004582300000000 ] - [ -0.0001081500000000, 0.0000097600000000, 0.0000503500000000 ] - [ -0.0004777400000000, 0.0008753200000000, 0.0004558400000000 ] - [ 0.0001079900000000, 0.0000097700000000, 0.0000498300000000 ] - [ 0.0004777400000000, -0.0008753200000000, 0.0004558400000000 ] - [ -0.0001079900000000, -0.0000097700000000, 0.0000498300000000 ] - [ -0.0008392500000000, 0.0000019500000000, -0.0013694300000000 ] - [ 0.0001466900000000, 0.0000000900000000, -0.0001783500000000 ] - [ 0.0008392500000000, -0.0000019500000000, -0.0013694300000000 ] - [ -0.0001466900000000, -0.0000000900000000, -0.0001783500000000 ] - [ -0.0000082500000000, -0.0000005600000000, 0.0003660800000000 ] - [ 0.0000701300000000, 0.0000000000000000, 0.0000785800000000 ] - [ 0.0000082500000000, 0.0000005600000000, 0.0003660800000000 ] - [ -0.0000701300000000, 0.0000000000000000, 0.0000785800000000 ] - [ 0.0237524300000000, -0.0237524300000000, 0.0196220300000000 ] - [ 0.0087320700000000, -0.0087015300000000, 0.0000853200000000 ] - [ 0.0087015300000000, -0.0087320700000000, 0.0000853200000000 ] - [ 0.0087621600000000, -0.0087621600000000, 0.0000624400000000 ] - [ 0.0088644800000000, -0.0088644800000000, -0.0021736900000000 ] - [ 0.0086284300000000, -0.0086940900000000, -0.0000918100000000 ] - [ 0.0086940900000000, -0.0086284300000000, -0.0000918100000000 ] - [ 0.0087239600000000, -0.0087239600000000, -0.0000577600000000 ] - [ -0.0058517500000000, -0.0058517500000000, 0.0192295700000000 ] - [ 0.0086924700000000, 0.0087228000000000, 0.0000857000000000 ] - [ 0.0087228000000000, 0.0086924700000000, 0.0000857000000000 ] - [ 0.0086623800000000, 0.0086623800000000, 0.0000628600000000 ] - [ 0.0085600800000000, 0.0085600800000000, -0.0021786700000000 ] - [ 0.0087960800000000, 0.0087303500000000, -0.0000920000000000 ] - [ 0.0087303500000000, 0.0087960800000000, -0.0000920000000000 ] - [ 0.0087005300000000, 0.0087005300000000, -0.0000579600000000 ] - [ -0.0086924700000000, -0.0087228000000000, 0.0000857000000000 ] - [ 0.0058517500000000, 0.0058517500000000, 0.0192295700000000 ] - [ -0.0086623800000000, -0.0086623800000000, 0.0000628600000000 ] - [ -0.0087228000000000, -0.0086924700000000, 0.0000857000000000 ] - [ -0.0087960800000000, -0.0087303500000000, -0.0000920000000000 ] - [ -0.0085600800000000, -0.0085600800000000, -0.0021786700000000 ] - [ -0.0087005300000000, -0.0087005300000000, -0.0000579600000000 ] - [ -0.0087303500000000, -0.0087960800000000, -0.0000920000000000 ] - [ -0.0087320700000000, 0.0087015300000000, 0.0000853200000000 ] - [ -0.0237524300000000, 0.0237524300000000, 0.0196220300000000 ] - [ -0.0087621600000000, 0.0087621600000000, 0.0000624400000000 ] - [ -0.0087015300000000, 0.0087320700000000, 0.0000853200000000 ] - [ -0.0086284300000000, 0.0086940900000000, -0.0000918100000000 ] - [ -0.0088644800000000, 0.0088644800000000, -0.0021736900000000 ] - [ -0.0087239600000000, 0.0087239600000000, -0.0000577600000000 ] - [ -0.0086940900000000, 0.0086284300000000, -0.0000918100000000 ] - [ 0.0092862600000000, -0.0082957900000000, 0.0002098700000000 ] - [ 0.0084688800000000, -0.0084688800000000, 0.0002478000000000 ] - [ 0.0089147900000000, -0.0089147900000000, 0.0001369000000000 ] - [ 0.0082957900000000, -0.0092862600000000, 0.0002098700000000 ] - [ 0.0087904000000000, -0.0087949500000000, -0.0002442100000000 ] - [ 0.0088574200000000, -0.0088574200000000, -0.0002303100000000 ] - [ 0.0085787900000000, -0.0085787900000000, -0.0001172600000000 ] - [ 0.0087949500000000, -0.0087904000000000, -0.0002442100000000 ] - [ 0.0081361300000000, 0.0091305900000000, 0.0002079400000000 ] - [ 0.0089595100000000, 0.0089595100000000, 0.0002473800000000 ] - [ 0.0085091200000000, 0.0085091200000000, 0.0001363100000000 ] - [ 0.0091305900000000, 0.0081361300000000, 0.0002079400000000 ] - [ 0.0086354600000000, 0.0086294700000000, -0.0002413200000000 ] - [ 0.0085630400000000, 0.0085630400000000, -0.0002358900000000 ] - [ 0.0088465700000000, 0.0088465700000000, -0.0001164400000000 ] - [ 0.0086294700000000, 0.0086354600000000, -0.0002413200000000 ] - [ -0.0089595100000000, -0.0089595100000000, 0.0002473800000000 ] - [ -0.0081361300000000, -0.0091305900000000, 0.0002079400000000 ] - [ -0.0091305900000000, -0.0081361300000000, 0.0002079400000000 ] - [ -0.0085091200000000, -0.0085091200000000, 0.0001363100000000 ] - [ -0.0085630400000000, -0.0085630400000000, -0.0002358900000000 ] - [ -0.0086354600000000, -0.0086294700000000, -0.0002413200000000 ] - [ -0.0086294700000000, -0.0086354600000000, -0.0002413200000000 ] - [ -0.0088465700000000, -0.0088465700000000, -0.0001164400000000 ] - [ -0.0084688800000000, 0.0084688800000000, 0.0002478000000000 ] - [ -0.0092862600000000, 0.0082957900000000, 0.0002098700000000 ] - [ -0.0082957900000000, 0.0092862600000000, 0.0002098700000000 ] - [ -0.0089147900000000, 0.0089147900000000, 0.0001369000000000 ] - [ -0.0088574200000000, 0.0088574200000000, -0.0002303100000000 ] - [ -0.0087904000000000, 0.0087949500000000, -0.0002442100000000 ] - [ -0.0087949500000000, 0.0087904000000000, -0.0002442100000000 ] - [ -0.0085787900000000, 0.0085787900000000, -0.0001172600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020883400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021145800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000044400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000031400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000744200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000736600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000198500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000198900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005223800000000, -0.0007531700000000, -0.0008752600000000 ] - [ 0.0005263300000000, -0.0007505900000000, 0.0008763300000000 ] - [ 0.0000099100000000, 0.0000050500000000, -0.0000096700000000 ] - [ 0.0000092900000000, 0.0000055800000000, 0.0000094300000000 ] - [ 0.0005223800000000, 0.0007531700000000, 0.0008752600000000 ] - [ 0.0005263300000000, 0.0007505900000000, -0.0008763300000000 ] - [ 0.0000099100000000, -0.0000050500000000, 0.0000096700000000 ] - [ 0.0000092900000000, -0.0000055800000000, -0.0000094300000000 ] - [ -0.0006713100000000, -0.0001229100000000, 0.0004761100000000 ] - [ 0.0001891200000000, 0.0000233500000000, -0.0001078500000000 ] - [ -0.0006750700000000, -0.0001234500000000, -0.0004776700000000 ] - [ 0.0001892200000000, 0.0000235300000000, 0.0001082200000000 ] - [ -0.0006750700000000, 0.0001234500000000, 0.0004776700000000 ] - [ 0.0001892200000000, -0.0000235300000000, -0.0001082200000000 ] - [ -0.0006713100000000, 0.0001229100000000, -0.0004761100000000 ] - [ 0.0001891200000000, -0.0000233500000000, 0.0001078500000000 ] - [ -0.0008857500000000, 0.0000031800000000, -0.0008390600000000 ] - [ 0.0002006400000000, -0.0000001100000000, 0.0001467100000000 ] - [ -0.0008857500000000, -0.0000031800000000, 0.0008390600000000 ] - [ 0.0002006400000000, 0.0000001100000000, -0.0001467100000000 ] - [ -0.0002627400000000, -0.0000007600000000, -0.0000084700000000 ] - [ 0.0001738600000000, -0.0000000800000000, 0.0000701100000000 ] - [ -0.0002627400000000, 0.0000007600000000, 0.0000084700000000 ] - [ 0.0001738600000000, 0.0000000800000000, -0.0000701100000000 ] - [ -0.0138560500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002909100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000124100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000247600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001805700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002420700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000672500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000252100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013974100000000, 0.0000000200000000, -0.0000108100000000 ] - [ 0.0002570900000000, 0.0000230600000000, 0.0000000800000000 ] - [ -0.0000331200000000, -0.0000229900000000, 0.0000000600000000 ] - [ 0.0000253800000000, -0.0000000500000000, 0.0000000300000000 ] - [ -0.0013974100000000, -0.0000000200000000, 0.0000108100000000 ] - [ 0.0002570900000000, -0.0000230600000000, -0.0000000800000000 ] - [ -0.0000331200000000, 0.0000229900000000, -0.0000000600000000 ] - [ 0.0000253800000000, 0.0000000500000000, -0.0000000300000000 ] - [ 0.0000402200000000, 0.0002448100000000, -0.0000835200000000 ] - [ 0.0000401000000000, -0.0001127000000000, 0.0000425100000000 ] - [ 0.0000407900000000, -0.0001124200000000, -0.0000426400000000 ] - [ 0.0000406300000000, 0.0002448600000000, 0.0000835400000000 ] - [ 0.0000407900000000, 0.0001124200000000, 0.0000426400000000 ] - [ 0.0000406300000000, -0.0002448600000000, -0.0000835400000000 ] - [ 0.0000402200000000, -0.0002448100000000, 0.0000835200000000 ] - [ 0.0000401000000000, 0.0001127000000000, -0.0000425100000000 ] - [ 0.0000703100000000, 0.0002542100000000, 0.0000554900000000 ] - [ 0.0000701200000000, -0.0002544700000000, 0.0000560100000000 ] - [ 0.0000703100000000, -0.0002542100000000, -0.0000554900000000 ] - [ 0.0000701200000000, 0.0002544700000000, -0.0000560100000000 ] - [ 0.0000067700000000, 0.0000820500000000, -0.0000070300000000 ] - [ 0.0000065500000000, -0.0000823400000000, -0.0000070400000000 ] - [ 0.0000067700000000, -0.0000820500000000, 0.0000070300000000 ] - [ 0.0000065500000000, 0.0000823400000000, 0.0000070400000000 ] - [ 0.0108049800000000, -0.0070008400000000, -0.0014984500000000 ] - [ 0.0082677800000000, -0.0084333000000000, -0.0002154900000000 ] - [ 0.0087192300000000, -0.0086931900000000, -0.0000017200000000 ] - [ 0.0087022000000000, -0.0087195400000000, -0.0000014800000000 ] - [ 0.0087514500000000, -0.0088456100000000, -0.0002087700000000 ] - [ 0.0084844800000000, -0.0086983600000000, 0.0003015100000000 ] - [ 0.0087128000000000, -0.0086919400000000, -0.0000026800000000 ] - [ 0.0087002500000000, -0.0087196500000000, 0.0000025100000000 ] - [ 0.0108049800000000, 0.0070008400000000, 0.0014984500000000 ] - [ 0.0082677800000000, 0.0084333000000000, 0.0002154900000000 ] - [ 0.0087192300000000, 0.0086931900000000, 0.0000017200000000 ] - [ 0.0087022000000000, 0.0087195400000000, 0.0000014800000000 ] - [ 0.0087514500000000, 0.0088456100000000, 0.0002087700000000 ] - [ 0.0084844800000000, 0.0086983600000000, -0.0003015100000000 ] - [ 0.0087128000000000, 0.0086919400000000, 0.0000026800000000 ] - [ 0.0087002500000000, 0.0087196500000000, -0.0000025100000000 ] - [ -0.0065396500000000, -0.0104682600000000, -0.0015602100000000 ] - [ -0.0091555300000000, -0.0089904800000000, -0.0002141700000000 ] - [ -0.0087048700000000, -0.0087310100000000, -0.0000016800000000 ] - [ -0.0087228000000000, -0.0087055200000000, -0.0000015400000000 ] - [ -0.0086729400000000, -0.0085783000000000, -0.0002097000000000 ] - [ -0.0089401000000000, -0.0087256800000000, 0.0003019200000000 ] - [ -0.0087115800000000, -0.0087327100000000, -0.0000026400000000 ] - [ -0.0087244500000000, -0.0087049200000000, 0.0000026000000000 ] - [ -0.0065396500000000, 0.0104682600000000, 0.0015602100000000 ] - [ -0.0091555300000000, 0.0089904800000000, 0.0002141700000000 ] - [ -0.0087048700000000, 0.0087310100000000, 0.0000016800000000 ] - [ -0.0087228000000000, 0.0087055200000000, 0.0000015400000000 ] - [ -0.0086729400000000, 0.0085783000000000, 0.0002097000000000 ] - [ -0.0089401000000000, 0.0087256800000000, -0.0003019200000000 ] - [ -0.0087115800000000, 0.0087327100000000, 0.0000026400000000 ] - [ -0.0087244500000000, 0.0087049200000000, -0.0000026000000000 ] - [ 0.0101349900000000, -0.0073426600000000, -0.0009584800000000 ] - [ 0.0084833200000000, -0.0086546100000000, 0.0000037400000000 ] - [ 0.0091432100000000, -0.0087805200000000, 0.0001185000000000 ] - [ 0.0085695600000000, -0.0087025300000000, -0.0000075900000000 ] - [ 0.0089736300000000, -0.0087853500000000, 0.0000586700000000 ] - [ 0.0085413600000000, -0.0086570400000000, -0.0000033100000000 ] - [ 0.0088705600000000, -0.0086334300000000, -0.0001856800000000 ] - [ 0.0086065000000000, -0.0087195000000000, 0.0000082500000000 ] - [ 0.0101349900000000, 0.0073426600000000, 0.0009584800000000 ] - [ 0.0084833200000000, 0.0086546100000000, -0.0000037400000000 ] - [ 0.0091432100000000, 0.0087805200000000, -0.0001185000000000 ] - [ 0.0085695600000000, 0.0087025300000000, 0.0000075900000000 ] - [ 0.0089736300000000, 0.0087853500000000, -0.0000586700000000 ] - [ 0.0085413600000000, 0.0086570400000000, 0.0000033100000000 ] - [ 0.0088705600000000, 0.0086334300000000, 0.0001856800000000 ] - [ 0.0086065000000000, 0.0087195000000000, -0.0000082500000000 ] - [ -0.0072877700000000, -0.0100608400000000, -0.0009457300000000 ] - [ -0.0089408600000000, -0.0087700300000000, 0.0000035600000000 ] - [ -0.0082814200000000, -0.0086432400000000, 0.0001190800000000 ] - [ -0.0088553100000000, -0.0087219800000000, -0.0000075400000000 ] - [ -0.0084516100000000, -0.0086397400000000, 0.0000587800000000 ] - [ -0.0088833300000000, -0.0087678200000000, -0.0000031500000000 ] - [ -0.0085536900000000, -0.0087912300000000, -0.0001866700000000 ] - [ -0.0088181200000000, -0.0087049800000000, 0.0000082800000000 ] - [ -0.0072877700000000, 0.0100608400000000, 0.0009457300000000 ] - [ -0.0089408600000000, 0.0087700300000000, -0.0000035600000000 ] - [ -0.0082814200000000, 0.0086432400000000, -0.0001190800000000 ] - [ -0.0088553100000000, 0.0087219800000000, 0.0000075400000000 ] - [ -0.0084516100000000, 0.0086397400000000, -0.0000587800000000 ] - [ -0.0088833300000000, 0.0087678200000000, 0.0000031500000000 ] - [ -0.0085536900000000, 0.0087912300000000, 0.0001866700000000 ] - [ -0.0088181200000000, 0.0087049800000000, -0.0000082800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000023800000000, 0.0008873800000000, -0.0013695700000000 ] - [ -0.0000023800000000, -0.0008873800000000, -0.0013695700000000 ] - [ 0.0000001900000000, -0.0000019400000000, -0.0001780800000000 ] - [ -0.0000001900000000, 0.0000019400000000, -0.0001780800000000 ] - [ -0.0000008100000000, -0.0001940800000000, 0.0003651100000000 ] - [ 0.0000008100000000, 0.0001940800000000, 0.0003651100000000 ] - [ -0.0000000700000000, 0.0000027100000000, 0.0000790400000000 ] - [ 0.0000000700000000, -0.0000027100000000, 0.0000790400000000 ] - [ -0.0003925200000000, 0.0002827400000000, 0.0004557500000000 ] - [ 0.0003925200000000, -0.0002827400000000, 0.0004557500000000 ] - [ -0.0000317100000000, -0.0000003700000000, 0.0000496300000000 ] - [ 0.0000317100000000, 0.0000003700000000, 0.0000496300000000 ] - [ 0.0003916400000000, 0.0002868400000000, 0.0004576300000000 ] - [ -0.0003916400000000, -0.0002868400000000, 0.0004576300000000 ] - [ 0.0000318300000000, -0.0000002100000000, 0.0000495600000000 ] - [ -0.0000318300000000, 0.0000002100000000, 0.0000495600000000 ] - [ -0.0002827400000000, -0.0003925200000000, 0.0004557500000000 ] - [ 0.0000003700000000, -0.0000317100000000, 0.0000496300000000 ] - [ 0.0002827400000000, 0.0003925200000000, 0.0004557500000000 ] - [ -0.0000003700000000, 0.0000317100000000, 0.0000496300000000 ] - [ -0.0002868400000000, 0.0003916400000000, 0.0004576300000000 ] - [ 0.0000002100000000, 0.0000318300000000, 0.0000495600000000 ] - [ 0.0002868400000000, -0.0003916400000000, 0.0004576300000000 ] - [ -0.0000002100000000, -0.0000318300000000, 0.0000495600000000 ] - [ -0.0008873800000000, 0.0000023800000000, -0.0013695700000000 ] - [ 0.0000019400000000, 0.0000001900000000, -0.0001780800000000 ] - [ 0.0008873800000000, -0.0000023800000000, -0.0013695700000000 ] - [ -0.0000019400000000, -0.0000001900000000, -0.0001780800000000 ] - [ 0.0001940800000000, -0.0000008100000000, 0.0003651100000000 ] - [ -0.0000027100000000, -0.0000000700000000, 0.0000790400000000 ] - [ -0.0001940800000000, 0.0000008100000000, 0.0003651100000000 ] - [ 0.0000027100000000, 0.0000000700000000, 0.0000790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0203437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000329300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056429800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076900000000 ] - [ -0.0000426400000000, -0.0000833500000000, 0.0000544100000000 ] - [ 0.0000833500000000, -0.0000426400000000, 0.0000544100000000 ] - [ -0.0000833500000000, 0.0000426400000000, 0.0000544100000000 ] - [ 0.0000426400000000, 0.0000833500000000, 0.0000544100000000 ] - [ 0.0000837400000000, 0.0000424200000000, 0.0000545600000000 ] - [ -0.0000424200000000, 0.0000837400000000, 0.0000545600000000 ] - [ 0.0000424200000000, -0.0000837400000000, 0.0000545600000000 ] - [ -0.0000837400000000, -0.0000424200000000, 0.0000545600000000 ] - [ 0.0000558100000000, -0.0000557400000000, -0.0001761400000000 ] - [ 0.0000557400000000, 0.0000558100000000, -0.0001761400000000 ] - [ -0.0000557400000000, -0.0000558100000000, -0.0001761400000000 ] - [ -0.0000558100000000, 0.0000557400000000, -0.0001761400000000 ] - [ -0.0000071100000000, 0.0000070100000000, 0.0000640900000000 ] - [ -0.0000070100000000, -0.0000071100000000, 0.0000640900000000 ] - [ 0.0000070100000000, 0.0000071100000000, 0.0000640900000000 ] - [ 0.0000071100000000, -0.0000070100000000, 0.0000640900000000 ] - [ 0.0075157500000000, -0.0097690800000000, 0.0013426400000000 ] - [ 0.0085713400000000, -0.0084909300000000, 0.0002066600000000 ] - [ 0.0087589600000000, -0.0087562200000000, 0.0000314300000000 ] - [ 0.0086700100000000, -0.0087058400000000, 0.0000221300000000 ] - [ 0.0085315600000000, -0.0087297100000000, -0.0002446700000000 ] - [ 0.0087803300000000, -0.0087141700000000, -0.0001899100000000 ] - [ 0.0087042500000000, -0.0087137400000000, -0.0000305100000000 ] - [ 0.0087225200000000, -0.0087056200000000, -0.0000215700000000 ] - [ 0.0098777300000000, 0.0076690400000000, 0.0013291500000000 ] - [ 0.0088528800000000, 0.0089340700000000, 0.0002070300000000 ] - [ 0.0086655500000000, 0.0086683000000000, 0.0000314500000000 ] - [ 0.0087548200000000, 0.0087190900000000, 0.0000221600000000 ] - [ 0.0088954600000000, 0.0086949500000000, -0.0002454200000000 ] - [ 0.0086446500000000, 0.0087099900000000, -0.0001882600000000 ] - [ 0.0087205100000000, 0.0087109900000000, -0.0000305500000000 ] - [ 0.0087020700000000, 0.0087189700000000, -0.0000215800000000 ] - [ -0.0098777300000000, -0.0076690400000000, 0.0013291500000000 ] - [ -0.0088528800000000, -0.0089340700000000, 0.0002070300000000 ] - [ -0.0086655500000000, -0.0086683000000000, 0.0000314500000000 ] - [ -0.0087548200000000, -0.0087190900000000, 0.0000221600000000 ] - [ -0.0088954600000000, -0.0086949500000000, -0.0002454200000000 ] - [ -0.0086446500000000, -0.0087099900000000, -0.0001882600000000 ] - [ -0.0087205100000000, -0.0087109900000000, -0.0000305500000000 ] - [ -0.0087020700000000, -0.0087189700000000, -0.0000215800000000 ] - [ -0.0075157500000000, 0.0097690800000000, 0.0013426400000000 ] - [ -0.0085713400000000, 0.0084909300000000, 0.0002066600000000 ] - [ -0.0087589600000000, 0.0087562200000000, 0.0000314300000000 ] - [ -0.0086700100000000, 0.0087058400000000, 0.0000221300000000 ] - [ -0.0085315600000000, 0.0087297100000000, -0.0002446700000000 ] - [ -0.0087803300000000, 0.0087141700000000, -0.0001899100000000 ] - [ -0.0087042500000000, 0.0087137400000000, -0.0000305100000000 ] - [ -0.0087225200000000, 0.0087056200000000, -0.0000215700000000 ] - [ 0.0076690400000000, -0.0098777300000000, 0.0013291500000000 ] - [ 0.0086683000000000, -0.0086655500000000, 0.0000314500000000 ] - [ 0.0089340700000000, -0.0088528800000000, 0.0002070300000000 ] - [ 0.0087190900000000, -0.0087548200000000, 0.0000221600000000 ] - [ 0.0086949500000000, -0.0088954600000000, -0.0002454200000000 ] - [ 0.0087109900000000, -0.0087205100000000, -0.0000305500000000 ] - [ 0.0087099900000000, -0.0086446500000000, -0.0001882600000000 ] - [ 0.0087189700000000, -0.0087020700000000, -0.0000215800000000 ] - [ 0.0097690800000000, 0.0075157500000000, 0.0013426400000000 ] - [ 0.0087562200000000, 0.0087589600000000, 0.0000314300000000 ] - [ 0.0084909300000000, 0.0085713400000000, 0.0002066600000000 ] - [ 0.0087058400000000, 0.0086700100000000, 0.0000221300000000 ] - [ 0.0087297100000000, 0.0085315600000000, -0.0002446700000000 ] - [ 0.0087137400000000, 0.0087042500000000, -0.0000305100000000 ] - [ 0.0087141700000000, 0.0087803300000000, -0.0001899100000000 ] - [ 0.0087056200000000, 0.0087225200000000, -0.0000215700000000 ] - [ -0.0097690800000000, -0.0075157500000000, 0.0013426400000000 ] - [ -0.0087562200000000, -0.0087589600000000, 0.0000314300000000 ] - [ -0.0084909300000000, -0.0085713400000000, 0.0002066600000000 ] - [ -0.0087058400000000, -0.0086700100000000, 0.0000221300000000 ] - [ -0.0087297100000000, -0.0085315600000000, -0.0002446700000000 ] - [ -0.0087137400000000, -0.0087042500000000, -0.0000305100000000 ] - [ -0.0087141700000000, -0.0087803300000000, -0.0001899100000000 ] - [ -0.0087056200000000, -0.0087225200000000, -0.0000215700000000 ] - [ -0.0076690400000000, 0.0098777300000000, 0.0013291500000000 ] - [ -0.0086683000000000, 0.0086655500000000, 0.0000314500000000 ] - [ -0.0089340700000000, 0.0088528800000000, 0.0002070300000000 ] - [ -0.0087190900000000, 0.0087548200000000, 0.0000221600000000 ] - [ -0.0086949500000000, 0.0088954600000000, -0.0002454200000000 ] - [ -0.0087109900000000, 0.0087205100000000, -0.0000305500000000 ] - [ -0.0087099900000000, 0.0086446500000000, -0.0001882600000000 ] - [ -0.0087189700000000, 0.0087020700000000, -0.0000215800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0190342100000000, -0.0138961900000000, 0.0146094700000000 ] - [ -0.0003116000000000, 0.0000169700000000, 0.0000192000000000 ] - [ 0.0002339700000000, 0.0000343100000000, -0.0000108500000000 ] - [ -0.0002314100000000, 0.0000363800000000, 0.0000503500000000 ] - [ 0.0010793200000000, 0.0008357700000000, 0.0001559900000000 ] - [ -0.0002113800000000, -0.0001021200000000, -0.0000843200000000 ] - [ 0.0002006400000000, 0.0000328400000000, -0.0000186300000000 ] - [ -0.0001669600000000, 0.0000157500000000, 0.0000112600000000 ] - [ 0.0190342100000000, -0.0138961900000000, -0.0146094700000000 ] - [ -0.0003116000000000, 0.0000169700000000, -0.0000192000000000 ] - [ 0.0002339700000000, 0.0000343100000000, 0.0000108500000000 ] - [ -0.0002314100000000, 0.0000363800000000, -0.0000503500000000 ] - [ 0.0010793200000000, 0.0008357700000000, -0.0001559900000000 ] - [ -0.0002113800000000, -0.0001021200000000, 0.0000843200000000 ] - [ 0.0002006400000000, 0.0000328400000000, 0.0000186300000000 ] - [ -0.0001669600000000, 0.0000157500000000, -0.0000112600000000 ] - [ -0.0001365700000000, 0.0002985900000000, -0.0002443400000000 ] - [ -0.0001601100000000, -0.0003898200000000, 0.0005741000000000 ] - [ -0.0002911900000000, -0.0000949200000000, -0.0004177500000000 ] - [ -0.0003144400000000, 0.0001991200000000, 0.0002022500000000 ] - [ -0.0002271500000000, 0.0002807200000000, 0.0001475600000000 ] - [ -0.0002109300000000, -0.0002101000000000, 0.0000776500000000 ] - [ 0.0000702500000000, -0.0000274500000000, 0.0000841300000000 ] - [ -0.0001701300000000, 0.0001603300000000, -0.0001336500000000 ] - [ -0.0001365700000000, 0.0002985900000000, 0.0002443400000000 ] - [ -0.0001601100000000, -0.0003898200000000, -0.0005741000000000 ] - [ -0.0002911900000000, -0.0000949200000000, 0.0004177500000000 ] - [ -0.0003144400000000, 0.0001991200000000, -0.0002022500000000 ] - [ -0.0002271500000000, 0.0002807200000000, -0.0001475600000000 ] - [ -0.0002109300000000, -0.0002101000000000, -0.0000776500000000 ] - [ 0.0000702500000000, -0.0000274500000000, -0.0000841300000000 ] - [ -0.0001701300000000, 0.0001603300000000, 0.0001336500000000 ] - [ 0.0021717700000000, 0.0013839200000000, -0.0012127300000000 ] - [ -0.0004451700000000, -0.0000684700000000, -0.0001404500000000 ] - [ 0.0000073900000000, 0.0000587700000000, 0.0000470200000000 ] - [ -0.0000112700000000, 0.0000099400000000, -0.0000426100000000 ] - [ 0.0000396200000000, -0.0000744400000000, -0.0001823400000000 ] - [ -0.0002299900000000, 0.0000793900000000, 0.0000685200000000 ] - [ 0.0000009700000000, 0.0000562000000000, -0.0000080800000000 ] - [ -0.0000118300000000, -0.0000076600000000, 0.0000094100000000 ] - [ 0.0021717700000000, 0.0013839200000000, 0.0012127300000000 ] - [ -0.0004451700000000, -0.0000684700000000, 0.0001404500000000 ] - [ 0.0000073900000000, 0.0000587700000000, -0.0000470200000000 ] - [ -0.0000112700000000, 0.0000099400000000, 0.0000426100000000 ] - [ 0.0000396200000000, -0.0000744400000000, 0.0001823400000000 ] - [ -0.0002299900000000, 0.0000793900000000, -0.0000685200000000 ] - [ 0.0000009700000000, 0.0000562000000000, 0.0000080800000000 ] - [ -0.0000118300000000, -0.0000076600000000, -0.0000094100000000 ] - [ 0.0014300000000000, 0.0017244600000000, -0.0010459200000000 ] - [ -0.0002289500000000, 0.0000188500000000, -0.0000437700000000 ] - [ 0.0004307400000000, 0.0002795200000000, 0.0002211500000000 ] - [ -0.0001432800000000, -0.0000067400000000, 0.0000063500000000 ] - [ 0.0002628500000000, -0.0001347600000000, -0.0000175000000000 ] - [ -0.0001723500000000, 0.0000204900000000, -0.0000015100000000 ] - [ 0.0001579700000000, 0.0000148300000000, -0.0000017100000000 ] - [ -0.0001061100000000, -0.0000076800000000, 0.0000071500000000 ] - [ 0.0014300000000000, 0.0017244600000000, 0.0010459200000000 ] - [ -0.0002289500000000, 0.0000188500000000, 0.0000437700000000 ] - [ 0.0004307400000000, 0.0002795200000000, -0.0002211500000000 ] - [ -0.0001432800000000, -0.0000067400000000, -0.0000063500000000 ] - [ 0.0002628500000000, -0.0001347600000000, 0.0000175000000000 ] - [ -0.0001723500000000, 0.0000204900000000, 0.0000015100000000 ] - [ 0.0001579700000000, 0.0000148300000000, 0.0000017100000000 ] - [ -0.0001061100000000, -0.0000076800000000, -0.0000071500000000 ] - [ -0.0436903200000000, 0.0175685000000000, 0.0000000000000000 ] - [ 0.0089719100000000, -0.0087321500000000, 0.0000000000000000 ] - [ 0.0084689100000000, -0.0087322700000000, 0.0000000000000000 ] - [ 0.0089470100000000, -0.0087486800000000, 0.0000000000000000 ] - [ 0.0083404100000000, -0.0086964100000000, 0.0000000000000000 ] - [ 0.0089008000000000, -0.0087123900000000, 0.0000000000000000 ] - [ 0.0085952400000000, -0.0087129600000000, 0.0000000000000000 ] - [ 0.0088332600000000, -0.0087372600000000, 0.0000000000000000 ] - [ 0.0075225800000000, 0.0092060900000000, -0.0009468300000000 ] - [ 0.0089172500000000, 0.0087659900000000, -0.0000243600000000 ] - [ 0.0085501000000000, 0.0086697100000000, 0.0000272400000000 ] - [ 0.0088637400000000, 0.0087141100000000, -0.0000067600000000 ] - [ 0.0075225800000000, 0.0092060900000000, 0.0009468300000000 ] - [ 0.0089172500000000, 0.0087659900000000, 0.0000243600000000 ] - [ 0.0085501000000000, 0.0086697100000000, -0.0000272400000000 ] - [ 0.0088637400000000, 0.0087141100000000, 0.0000067600000000 ] - [ -0.0084151800000000, -0.0086694100000000, -0.0000441800000000 ] - [ -0.0083457400000000, -0.0092099400000000, 0.0021146000000000 ] - [ -0.0085863400000000, -0.0087144000000000, -0.0000054000000000 ] - [ -0.0088560000000000, -0.0087659200000000, 0.0000111300000000 ] - [ -0.0084151800000000, -0.0086694100000000, 0.0000441800000000 ] - [ -0.0083457400000000, -0.0092099400000000, -0.0021146000000000 ] - [ -0.0085863400000000, -0.0087144000000000, 0.0000054000000000 ] - [ -0.0088560000000000, -0.0087659200000000, -0.0000111300000000 ] - [ -0.0083327300000000, 0.0087178600000000, 0.0000000000000000 ] - [ -0.0052490600000000, 0.0027426500000000, 0.0000000000000000 ] - [ -0.0084697800000000, 0.0085698500000000, 0.0000000000000000 ] - [ -0.0089209200000000, 0.0087185800000000, 0.0000000000000000 ] - [ -0.0085897100000000, 0.0087330500000000, 0.0000000000000000 ] - [ -0.0089374800000000, 0.0082251200000000, 0.0000000000000000 ] - [ -0.0085954500000000, 0.0086663300000000, 0.0000000000000000 ] - [ -0.0088477100000000, 0.0087327100000000, 0.0000000000000000 ] - [ 0.0087353000000000, -0.0085583500000000, -0.0001290800000000 ] - [ 0.0087883700000000, -0.0088186700000000, 0.0000779500000000 ] - [ 0.0087888100000000, -0.0088189700000000, -0.0000290900000000 ] - [ 0.0087365700000000, -0.0085628300000000, 0.0000290100000000 ] - [ 0.0087353000000000, -0.0085583500000000, 0.0001290800000000 ] - [ 0.0087883700000000, -0.0088186700000000, -0.0000779500000000 ] - [ 0.0087888100000000, -0.0088189700000000, 0.0000290900000000 ] - [ 0.0087365700000000, -0.0085628300000000, -0.0000290100000000 ] - [ 0.0098612200000000, 0.0079296700000000, 0.0000000000000000 ] - [ 0.0098439400000000, 0.0095345300000000, 0.0000000000000000 ] - [ 0.0090096000000000, 0.0089002300000000, 0.0000000000000000 ] - [ 0.0090091700000000, 0.0082985100000000, 0.0000000000000000 ] - [ 0.0090470000000000, 0.0086913000000000, 0.0000000000000000 ] - [ 0.0090451900000000, 0.0090618800000000, 0.0000000000000000 ] - [ 0.0087323700000000, 0.0087376700000000, 0.0000000000000000 ] - [ 0.0087330100000000, 0.0086076300000000, 0.0000000000000000 ] - [ -0.0084202800000000, -0.0079303800000000, 0.0000000000000000 ] - [ -0.0083811800000000, -0.0089014900000000, 0.0000000000000000 ] - [ -0.0084177700000000, -0.0095457500000000, 0.0000000000000000 ] - [ -0.0083820400000000, -0.0082990100000000, 0.0000000000000000 ] - [ -0.0087473600000000, -0.0086932100000000, 0.0000000000000000 ] - [ -0.0085932700000000, -0.0087383000000000, 0.0000000000000000 ] - [ -0.0087449000000000, -0.0090649200000000, 0.0000000000000000 ] - [ -0.0085931200000000, -0.0086074100000000, 0.0000000000000000 ] - [ -0.0084055200000000, 0.0082637800000000, -0.0007085300000000 ] - [ -0.0084829800000000, 0.0087731200000000, 0.0000903100000000 ] - [ -0.0087725800000000, 0.0087718200000000, -0.0001060100000000 ] - [ -0.0085902600000000, 0.0086253400000000, 0.0000340200000000 ] - [ -0.0084055200000000, 0.0082637800000000, 0.0007085300000000 ] - [ -0.0084829800000000, 0.0087731200000000, -0.0000903100000000 ] - [ -0.0087725800000000, 0.0087718200000000, 0.0001060100000000 ] - [ -0.0085902600000000, 0.0086253400000000, -0.0000340200000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0191685000000000, 0.0142358000000000, -0.0149935800000000 ] - [ 0.0003086600000000, -0.0000164500000000, -0.0000196800000000 ] - [ -0.0002308900000000, -0.0000343600000000, 0.0000106200000000 ] - [ 0.0002296700000000, -0.0000349900000000, -0.0000491200000000 ] - [ -0.0010759900000000, -0.0008372800000000, -0.0001482200000000 ] - [ 0.0002095400000000, 0.0001012800000000, 0.0000832100000000 ] - [ -0.0001992300000000, -0.0000316300000000, 0.0000181000000000 ] - [ 0.0001659700000000, -0.0000152800000000, -0.0000108700000000 ] - [ -0.0191685000000000, 0.0142358000000000, 0.0149935800000000 ] - [ 0.0003086600000000, -0.0000164500000000, 0.0000196800000000 ] - [ -0.0002308900000000, -0.0000343600000000, -0.0000106200000000 ] - [ 0.0002296700000000, -0.0000349900000000, 0.0000491200000000 ] - [ -0.0010759900000000, -0.0008372800000000, 0.0001482200000000 ] - [ 0.0002095400000000, 0.0001012800000000, -0.0000832100000000 ] - [ -0.0001992300000000, -0.0000316300000000, -0.0000181000000000 ] - [ 0.0001659700000000, -0.0000152800000000, 0.0000108700000000 ] - [ 0.0001270200000000, -0.0002978100000000, 0.0002463300000000 ] - [ 0.0001554800000000, 0.0003878100000000, -0.0005756200000000 ] - [ 0.0002911600000000, 0.0000951400000000, 0.0004166700000000 ] - [ 0.0003146400000000, -0.0001981700000000, -0.0002031700000000 ] - [ 0.0002231000000000, -0.0002752700000000, -0.0001471700000000 ] - [ 0.0002089700000000, 0.0002085700000000, -0.0000776800000000 ] - [ -0.0000672800000000, 0.0000295200000000, -0.0000819400000000 ] - [ 0.0001682700000000, -0.0001598100000000, 0.0001329500000000 ] - [ 0.0001270200000000, -0.0002978100000000, -0.0002463300000000 ] - [ 0.0001554800000000, 0.0003878100000000, 0.0005756200000000 ] - [ 0.0002911600000000, 0.0000951400000000, -0.0004166700000000 ] - [ 0.0003146400000000, -0.0001981700000000, 0.0002031700000000 ] - [ 0.0002231000000000, -0.0002752700000000, 0.0001471700000000 ] - [ 0.0002089700000000, 0.0002085700000000, 0.0000776800000000 ] - [ -0.0000672800000000, 0.0000295200000000, 0.0000819400000000 ] - [ 0.0001682700000000, -0.0001598100000000, -0.0001329500000000 ] - [ -0.0020941600000000, -0.0013352400000000, 0.0011495500000000 ] - [ 0.0004423900000000, 0.0000689100000000, 0.0001407200000000 ] - [ -0.0000076500000000, -0.0000570500000000, -0.0000462700000000 ] - [ 0.0000107800000000, -0.0000099300000000, 0.0000428700000000 ] - [ -0.0000379000000000, 0.0000717300000000, 0.0001811700000000 ] - [ 0.0002266400000000, -0.0000785200000000, -0.0000678300000000 ] - [ -0.0000009000000000, -0.0000545000000000, 0.0000081600000000 ] - [ 0.0000115000000000, 0.0000074800000000, -0.0000093700000000 ] - [ -0.0020941600000000, -0.0013352400000000, -0.0011495500000000 ] - [ 0.0004423900000000, 0.0000689100000000, -0.0001407200000000 ] - [ -0.0000076500000000, -0.0000570500000000, 0.0000462700000000 ] - [ 0.0000107800000000, -0.0000099300000000, -0.0000428700000000 ] - [ -0.0000379000000000, 0.0000717300000000, -0.0001811700000000 ] - [ 0.0002266400000000, -0.0000785200000000, 0.0000678300000000 ] - [ -0.0000009000000000, -0.0000545000000000, -0.0000081600000000 ] - [ 0.0000115000000000, 0.0000074800000000, 0.0000093700000000 ] - [ -0.0014166200000000, -0.0017427300000000, 0.0010547300000000 ] - [ 0.0002277800000000, -0.0000192500000000, 0.0000439200000000 ] - [ -0.0004314500000000, -0.0002777400000000, -0.0002223800000000 ] - [ 0.0001426700000000, 0.0000068000000000, -0.0000062100000000 ] - [ -0.0002599100000000, 0.0001330300000000, 0.0000164000000000 ] - [ 0.0001701900000000, -0.0000203100000000, 0.0000013400000000 ] - [ -0.0001585300000000, -0.0000125100000000, 0.0000015600000000 ] - [ 0.0001057100000000, 0.0000077500000000, -0.0000071100000000 ] - [ -0.0014166200000000, -0.0017427300000000, -0.0010547300000000 ] - [ 0.0002277800000000, -0.0000192500000000, -0.0000439200000000 ] - [ -0.0004314500000000, -0.0002777400000000, 0.0002223800000000 ] - [ 0.0001426700000000, 0.0000068000000000, 0.0000062100000000 ] - [ -0.0002599100000000, 0.0001330300000000, -0.0000164000000000 ] - [ 0.0001701900000000, -0.0000203100000000, -0.0000013400000000 ] - [ -0.0001585300000000, -0.0000125100000000, -0.0000015600000000 ] - [ 0.0001057100000000, 0.0000077500000000, 0.0000071100000000 ] - [ 0.0612320500000000, -0.0357510600000000, 0.0000000000000000 ] - [ 0.0084547500000000, -0.0086929100000000, 0.0000000000000000 ] - [ 0.0089532000000000, -0.0086930500000000, 0.0000000000000000 ] - [ 0.0084782900000000, -0.0086769400000000, 0.0000000000000000 ] - [ 0.0090822800000000, -0.0087275300000000, 0.0000000000000000 ] - [ 0.0085255400000000, -0.0087120000000000, 0.0000000000000000 ] - [ 0.0088286000000000, -0.0087126200000000, 0.0000000000000000 ] - [ 0.0085920800000000, -0.0086879100000000, 0.0000000000000000 ] - [ 0.0099015400000000, 0.0082137200000000, 0.0009574200000000 ] - [ 0.0085087700000000, 0.0086591200000000, 0.0000240800000000 ] - [ 0.0088725000000000, 0.0087546100000000, -0.0000268400000000 ] - [ 0.0085620500000000, 0.0087103500000000, 0.0000065200000000 ] - [ 0.0099015400000000, 0.0082137200000000, -0.0009574200000000 ] - [ 0.0085087700000000, 0.0086591200000000, -0.0000240800000000 ] - [ 0.0088725000000000, 0.0087546100000000, 0.0000268400000000 ] - [ 0.0085620500000000, 0.0087103500000000, -0.0000065200000000 ] - [ -0.0090070000000000, -0.0087545200000000, 0.0000443400000000 ] - [ -0.0090725500000000, -0.0082176700000000, -0.0021139200000000 ] - [ -0.0088376500000000, -0.0087109300000000, 0.0000052300000000 ] - [ -0.0085698100000000, -0.0086593100000000, -0.0000112400000000 ] - [ -0.0090070000000000, -0.0087545200000000, -0.0000443400000000 ] - [ -0.0090725500000000, -0.0082176700000000, 0.0021139200000000 ] - [ -0.0088376500000000, -0.0087109300000000, -0.0000052300000000 ] - [ -0.0085698100000000, -0.0086593100000000, 0.0000112400000000 ] - [ -0.0090903100000000, 0.0087068500000000, 0.0000000000000000 ] - [ -0.0121995200000000, 0.0147525800000000, 0.0000000000000000 ] - [ -0.0089534100000000, 0.0088531800000000, 0.0000000000000000 ] - [ -0.0085050800000000, 0.0087075800000000, 0.0000000000000000 ] - [ -0.0088343500000000, 0.0086920800000000, 0.0000000000000000 ] - [ -0.0084870200000000, 0.0091985400000000, 0.0000000000000000 ] - [ -0.0088284400000000, 0.0087575100000000, 0.0000000000000000 ] - [ -0.0085781100000000, 0.0086917900000000, 0.0000000000000000 ] - [ 0.0086881800000000, -0.0088652400000000, 0.0001278300000000 ] - [ 0.0086374700000000, -0.0086073800000000, -0.0000769700000000 ] - [ 0.0086378400000000, -0.0086077200000000, 0.0000301400000000 ] - [ 0.0086895300000000, -0.0088600400000000, -0.0000285400000000 ] - [ 0.0086881800000000, -0.0088652400000000, -0.0001278300000000 ] - [ 0.0086374700000000, -0.0086073800000000, 0.0000769700000000 ] - [ 0.0086378400000000, -0.0086077200000000, -0.0000301400000000 ] - [ 0.0086895300000000, -0.0088600400000000, 0.0000285400000000 ] - [ 0.0075800500000000, 0.0094915900000000, 0.0000000000000000 ] - [ 0.0075629300000000, 0.0078808800000000, 0.0000000000000000 ] - [ 0.0084151200000000, 0.0085234800000000, 0.0000000000000000 ] - [ 0.0084148800000000, 0.0091268600000000, 0.0000000000000000 ] - [ 0.0083830000000000, 0.0087338600000000, 0.0000000000000000 ] - [ 0.0083808200000000, 0.0083643600000000, 0.0000000000000000 ] - [ 0.0086912500000000, 0.0086859000000000, 0.0000000000000000 ] - [ 0.0086923000000000, 0.0088164300000000, 0.0000000000000000 ] - [ -0.0090058500000000, -0.0094925100000000, 0.0000000000000000 ] - [ -0.0090418100000000, -0.0085248800000000, 0.0000000000000000 ] - [ -0.0090031700000000, -0.0078925700000000, 0.0000000000000000 ] - [ -0.0090427500000000, -0.0091274700000000, 0.0000000000000000 ] - [ -0.0086829000000000, -0.0087359700000000, 0.0000000000000000 ] - [ -0.0088304900000000, -0.0086869800000000, 0.0000000000000000 ] - [ -0.0086802900000000, -0.0083676600000000, 0.0000000000000000 ] - [ -0.0088302200000000, -0.0088164200000000, 0.0000000000000000 ] - [ -0.0090125100000000, 0.0091540500000000, 0.0006998400000000 ] - [ -0.0089394700000000, 0.0086530400000000, -0.0000906100000000 ] - [ -0.0086531300000000, 0.0086517300000000, 0.0001053200000000 ] - [ -0.0088336300000000, 0.0087987100000000, -0.0000341300000000 ] - [ -0.0090125100000000, 0.0091540500000000, -0.0006998400000000 ] - [ -0.0089394700000000, 0.0086530400000000, 0.0000906100000000 ] - [ -0.0086531300000000, 0.0086517300000000, -0.0001053200000000 ] - [ -0.0088336300000000, 0.0087987100000000, 0.0000341300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0132724900000000, -0.0132724900000000, 0.0192266600000000 ] - [ 0.0000151600000000, 0.0000196900000000, 0.0000847500000000 ] - [ -0.0000196900000000, -0.0000151600000000, 0.0000847500000000 ] - [ -0.0000050800000000, 0.0000050800000000, 0.0000626300000000 ] - [ -0.0001462300000000, 0.0001462300000000, -0.0021774500000000 ] - [ -0.0000076300000000, -0.0000180400000000, -0.0000917000000000 ] - [ 0.0000180400000000, 0.0000076300000000, -0.0000917000000000 ] - [ 0.0000019300000000, -0.0000019300000000, -0.0000575400000000 ] - [ -0.0137693200000000, 0.0137693200000000, 0.0196250500000000 ] - [ -0.0000159400000000, -0.0000200200000000, 0.0000858700000000 ] - [ 0.0000200200000000, 0.0000159400000000, 0.0000858700000000 ] - [ 0.0000044400000000, -0.0000044400000000, 0.0000637200000000 ] - [ 0.0001471000000000, -0.0001471000000000, -0.0021742300000000 ] - [ 0.0000069300000000, 0.0000175100000000, -0.0000925500000000 ] - [ -0.0000175100000000, -0.0000069300000000, -0.0000925500000000 ] - [ -0.0000019600000000, 0.0000019600000000, -0.0000583000000000 ] - [ -0.0003348500000000, 0.0003348500000000, 0.0002523500000000 ] - [ 0.0000424100000000, -0.0000170700000000, 0.0002104500000000 ] - [ 0.0000170700000000, -0.0000424100000000, 0.0002104500000000 ] - [ 0.0000228100000000, -0.0000228100000000, 0.0001382800000000 ] - [ 0.0002639900000000, -0.0002639900000000, -0.0002385800000000 ] - [ 0.0000459500000000, 0.0000046900000000, -0.0002432200000000 ] - [ -0.0000046900000000, -0.0000459500000000, -0.0002432200000000 ] - [ -0.0000177800000000, 0.0000177800000000, -0.0001175800000000 ] - [ 0.0003377000000000, -0.0003377000000000, 0.0002437900000000 ] - [ -0.0000425600000000, 0.0000155600000000, 0.0002067100000000 ] - [ -0.0000155600000000, 0.0000425600000000, 0.0002067100000000 ] - [ -0.0000237400000000, 0.0000237400000000, 0.0001359500000000 ] - [ -0.0002652600000000, 0.0002652600000000, -0.0002277700000000 ] - [ -0.0000444900000000, -0.0000036100000000, -0.0002417300000000 ] - [ 0.0000036100000000, 0.0000444900000000, -0.0002417300000000 ] - [ 0.0000172100000000, -0.0000172100000000, -0.0001164600000000 ] - [ -0.0015127400000000, -0.0009443800000000, 0.0013300500000000 ] - [ -0.0002152400000000, 0.0001181800000000, 0.0002053800000000 ] - [ -0.0000016600000000, 0.0000036600000000, 0.0000315700000000 ] - [ -0.0000014200000000, -0.0000074400000000, 0.0000223800000000 ] - [ -0.0002090500000000, 0.0000589000000000, -0.0002444200000000 ] - [ 0.0003024800000000, -0.0001863700000000, -0.0001884100000000 ] - [ -0.0000026800000000, -0.0000028200000000, -0.0000297000000000 ] - [ 0.0000020000000000, 0.0000089200000000, -0.0000216500000000 ] - [ 0.0015450100000000, 0.0009603900000000, 0.0013429000000000 ] - [ 0.0002137600000000, -0.0001196900000000, 0.0002073600000000 ] - [ 0.0000018100000000, -0.0000041300000000, 0.0000326600000000 ] - [ 0.0000016300000000, 0.0000081000000000, 0.0000227700000000 ] - [ 0.0002089000000000, -0.0000595800000000, -0.0002450600000000 ] - [ -0.0003016900000000, 0.0001853700000000, -0.0001890900000000 ] - [ 0.0000024200000000, 0.0000035700000000, -0.0000303700000000 ] - [ -0.0000018600000000, -0.0000085400000000, -0.0000219300000000 ] - [ -0.0009603900000000, -0.0015450100000000, 0.0013429000000000 ] - [ 0.0000041300000000, -0.0000018100000000, 0.0000326600000000 ] - [ 0.0001196900000000, -0.0002137600000000, 0.0002073600000000 ] - [ -0.0000081000000000, -0.0000016300000000, 0.0000227700000000 ] - [ 0.0000595800000000, -0.0002089000000000, -0.0002450600000000 ] - [ -0.0000035700000000, -0.0000024200000000, -0.0000303700000000 ] - [ -0.0001853700000000, 0.0003016900000000, -0.0001890900000000 ] - [ 0.0000085400000000, 0.0000018600000000, -0.0000219300000000 ] - [ 0.0009443800000000, 0.0015127400000000, 0.0013300500000000 ] - [ -0.0000036600000000, 0.0000016600000000, 0.0000315700000000 ] - [ -0.0001181800000000, 0.0002152400000000, 0.0002053800000000 ] - [ 0.0000074400000000, 0.0000014200000000, 0.0000223800000000 ] - [ -0.0000589000000000, 0.0002090500000000, -0.0002444200000000 ] - [ 0.0000028200000000, 0.0000026800000000, -0.0000297000000000 ] - [ 0.0001863700000000, -0.0003024800000000, -0.0001884100000000 ] - [ -0.0000089200000000, -0.0000020000000000, -0.0000216500000000 ] - [ 0.0091903500000000, -0.0091903500000000, -0.0557196500000000 ] - [ 0.0087123200000000, -0.0087126500000000, -0.0000262000000000 ] - [ 0.0087126500000000, -0.0087123200000000, -0.0000262000000000 ] - [ 0.0087123000000000, -0.0087123000000000, 0.0000030500000000 ] - [ 0.0087126000000000, -0.0087126000000000, 0.0007681900000000 ] - [ 0.0087124000000000, -0.0087120900000000, 0.0000486800000000 ] - [ 0.0087120900000000, -0.0087124000000000, 0.0000486800000000 ] - [ 0.0087124300000000, -0.0087124300000000, 0.0000231900000000 ] - [ 0.0096645500000000, 0.0066114700000000, 0.0030300600000000 ] - [ 0.0087367200000000, 0.0087011200000000, -0.0000022600000000 ] - [ 0.0086850600000000, 0.0087562100000000, 0.0000462400000000 ] - [ 0.0087190000000000, 0.0087174100000000, 0.0000044000000000 ] - [ 0.0077602000000000, 0.0108400900000000, 0.0030563700000000 ] - [ 0.0086882700000000, 0.0087235700000000, -0.0000024400000000 ] - [ 0.0087389900000000, 0.0086677000000000, 0.0000454200000000 ] - [ 0.0087057600000000, 0.0087067600000000, 0.0000041400000000 ] - [ -0.0087562100000000, -0.0086850600000000, 0.0000462400000000 ] - [ -0.0066114700000000, -0.0096645500000000, 0.0030300600000000 ] - [ -0.0087174100000000, -0.0087190000000000, 0.0000044000000000 ] - [ -0.0087011200000000, -0.0087367200000000, -0.0000022600000000 ] - [ -0.0086677000000000, -0.0087389900000000, 0.0000454200000000 ] - [ -0.0108400900000000, -0.0077602000000000, 0.0030563700000000 ] - [ -0.0087067600000000, -0.0087057600000000, 0.0000041400000000 ] - [ -0.0087235700000000, -0.0086882700000000, -0.0000024400000000 ] - [ -0.0087123100000000, 0.0087121000000000, -0.0000888800000000 ] - [ -0.0087021500000000, 0.0087021500000000, -0.0009233700000000 ] - [ -0.0087120900000000, 0.0087120900000000, -0.0001343700000000 ] - [ -0.0087121000000000, 0.0087123100000000, -0.0000888800000000 ] - [ -0.0087119100000000, 0.0087123200000000, 0.0000516900000000 ] - [ -0.0087134800000000, 0.0087134800000000, 0.0016749900000000 ] - [ -0.0087119500000000, 0.0087119500000000, 0.0000430600000000 ] - [ -0.0087123200000000, 0.0087119100000000, 0.0000516900000000 ] - [ 0.0086835300000000, -0.0088406200000000, 0.0000837500000000 ] - [ 0.0087420100000000, -0.0087420100000000, -0.0000607300000000 ] - [ 0.0086347000000000, -0.0086347000000000, -0.0000593700000000 ] - [ 0.0088406200000000, -0.0086835300000000, 0.0000837500000000 ] - [ 0.0087411200000000, -0.0085838200000000, 0.0000824500000000 ] - [ 0.0086828700000000, -0.0086828700000000, -0.0000620500000000 ] - [ 0.0087896600000000, -0.0087896600000000, -0.0000633800000000 ] - [ 0.0085838200000000, -0.0087411200000000, 0.0000824500000000 ] - [ 0.0087052200000000, 0.0087158500000000, -0.0003472900000000 ] - [ 0.0087150400000000, 0.0087138900000000, -0.0003474300000000 ] - [ 0.0087115600000000, 0.0087118200000000, -0.0000419000000000 ] - [ 0.0087128200000000, 0.0087109800000000, -0.0000418600000000 ] - [ 0.0087168600000000, 0.0087118300000000, 0.0005472600000000 ] - [ 0.0087118400000000, 0.0087119500000000, 0.0005472700000000 ] - [ 0.0087125400000000, 0.0087124200000000, 0.0000248000000000 ] - [ 0.0087122400000000, 0.0087119600000000, 0.0000247400000000 ] - [ -0.0087138900000000, -0.0087150400000000, -0.0003474300000000 ] - [ -0.0087109800000000, -0.0087128200000000, -0.0000418600000000 ] - [ -0.0087158500000000, -0.0087052200000000, -0.0003472900000000 ] - [ -0.0087118200000000, -0.0087115600000000, -0.0000419000000000 ] - [ -0.0087119500000000, -0.0087118400000000, 0.0005472700000000 ] - [ -0.0087119600000000, -0.0087122400000000, 0.0000247400000000 ] - [ -0.0087118300000000, -0.0087168600000000, 0.0005472600000000 ] - [ -0.0087124200000000, -0.0087125400000000, 0.0000248000000000 ] - [ -0.0094083100000000, 0.0094083100000000, 0.0010987000000000 ] - [ -0.0086218100000000, 0.0088177300000000, -0.0000023100000000 ] - [ -0.0088177300000000, 0.0086218100000000, -0.0000023100000000 ] - [ -0.0086778800000000, 0.0086778800000000, 0.0000128700000000 ] - [ -0.0079998200000000, 0.0079998200000000, 0.0011344600000000 ] - [ -0.0088027800000000, 0.0086064800000000, -0.0000038700000000 ] - [ -0.0086064800000000, 0.0088027800000000, -0.0000038700000000 ] - [ -0.0087460700000000, 0.0087460700000000, 0.0000122900000000 ]