# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0cfc8af6-75ad-4ea5-9f76-39ddd847cedc/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 KNbO3 / P4mm (99) / materials id 4342](https://mdr.nims.go.jp/datasets/2d6fcd36-f438-470a-9119-9a6927e428b4) ## 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: "P4mm" number: 99 Hall_symbol: "P 4 -2"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 4.007456570000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.007456570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.107585450000000 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.974904290000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.974904290000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.472112010000000 ] mass: 15.999400 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.498386280000000 ] mass: 39.098300 - symbol: Nb # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.014493130000000 ] mass: 92.906380 reciprocal_lattice: # without 2pi - [ 0.249534831515342, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.249534831515342, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.243452026055843 ] # c*unit_cell: lattice: - [ 4.007456570000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.007456570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.107585450000000 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.000000000000000, 0.974904290000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.974904290000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.472112010000000 ] mass: 15.999400 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.498386280000000 ] mass: 39.098300 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.014493130000000 ] mass: 92.906380 reduced_to: 5supercell: lattice: - [ 12.022369710000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.022369710000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.322756350000001 ] # c points: - symbol: O # 1 coordinates: [ 0.166666666666667, 0.000000000000000, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.833333333333333, 0.000000000000000, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.166666666666667, 0.333333333333333, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.333333333333333, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.833333333333333, 0.333333333333333, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.166666666666667, 0.666666666666667, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.666666666666667, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.833333333333333, 0.666666666666667, 0.324968096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.166666666666667, 0.000000000000000, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.833333333333333, 0.000000000000000, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.166666666666667, 0.333333333333333, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.333333333333333, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 15 coordinates: [ 0.833333333333333, 0.333333333333333, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.166666666666667, 0.666666666666667, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 17 coordinates: [ 0.500000000000000, 0.666666666666667, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 18 coordinates: [ 0.833333333333333, 0.666666666666667, 0.658301430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 19 coordinates: [ 0.166666666666667, 0.000000000000000, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 21 coordinates: [ 0.833333333333333, 0.000000000000000, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 22 coordinates: [ 0.166666666666667, 0.333333333333333, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 23 coordinates: [ 0.500000000000000, 0.333333333333333, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 24 coordinates: [ 0.833333333333333, 0.333333333333333, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 25 coordinates: [ 0.166666666666667, 0.666666666666667, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.666666666666667, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.833333333333333, 0.666666666666667, 0.991634763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.166666666666667, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.333333333333333, 0.166666666666667, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 30 coordinates: [ 0.666666666666667, 0.166666666666667, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 32 coordinates: [ 0.333333333333333, 0.500000000000000, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 33 coordinates: [ 0.666666666666667, 0.500000000000000, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.833333333333333, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 35 coordinates: [ 0.333333333333333, 0.833333333333333, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 36 coordinates: [ 0.666666666666667, 0.833333333333333, 0.324968096666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.166666666666667, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 38 coordinates: [ 0.333333333333333, 0.166666666666667, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 39 coordinates: [ 0.666666666666667, 0.166666666666667, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.500000000000000, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.333333333333333, 0.500000000000000, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 42 coordinates: [ 0.666666666666667, 0.500000000000000, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.833333333333333, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 44 coordinates: [ 0.333333333333333, 0.833333333333333, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 45 coordinates: [ 0.666666666666667, 0.833333333333333, 0.658301430000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 46 coordinates: [ 0.000000000000000, 0.166666666666667, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 47 coordinates: [ 0.333333333333333, 0.166666666666667, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 48 coordinates: [ 0.666666666666667, 0.166666666666667, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.500000000000000, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 50 coordinates: [ 0.333333333333333, 0.500000000000000, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 51 coordinates: [ 0.666666666666667, 0.500000000000000, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 52 coordinates: [ 0.000000000000000, 0.833333333333333, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 53 coordinates: [ 0.333333333333333, 0.833333333333333, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 54 coordinates: [ 0.666666666666667, 0.833333333333333, 0.991634763333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.157370670000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 65 coordinates: [ 0.333333333333333, 0.000000000000000, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 66 coordinates: [ 0.666666666666667, 0.000000000000000, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.333333333333333, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 68 coordinates: [ 0.333333333333333, 0.333333333333333, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 69 coordinates: [ 0.666666666666667, 0.333333333333333, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 70 coordinates: [ 0.000000000000000, 0.666666666666667, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 71 coordinates: [ 0.333333333333333, 0.666666666666667, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 72 coordinates: [ 0.666666666666667, 0.666666666666667, 0.490704003333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 74 coordinates: [ 0.333333333333333, 0.000000000000000, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 75 coordinates: [ 0.666666666666667, 0.000000000000000, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.333333333333333, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 77 coordinates: [ 0.333333333333333, 0.333333333333333, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 78 coordinates: [ 0.666666666666667, 0.333333333333333, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.666666666666667, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.333333333333333, 0.666666666666667, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 81 coordinates: [ 0.666666666666667, 0.666666666666667, 0.824037336666667 ] mass: 15.999400 reduced_to: 55 - symbol: K # 82 coordinates: [ 0.166666666666667, 0.166666666666667, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 83 coordinates: [ 0.500000000000000, 0.166666666666667, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 84 coordinates: [ 0.833333333333333, 0.166666666666667, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 85 coordinates: [ 0.166666666666667, 0.500000000000000, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 86 coordinates: [ 0.500000000000000, 0.500000000000000, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 87 coordinates: [ 0.833333333333333, 0.500000000000000, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 88 coordinates: [ 0.166666666666667, 0.833333333333333, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 89 coordinates: [ 0.500000000000000, 0.833333333333333, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 90 coordinates: [ 0.833333333333333, 0.833333333333333, 0.166128760000000 ] mass: 39.098300 reduced_to: 82 - symbol: K # 91 coordinates: [ 0.166666666666667, 0.166666666666667, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 92 coordinates: [ 0.500000000000000, 0.166666666666667, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 93 coordinates: [ 0.833333333333333, 0.166666666666667, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 94 coordinates: [ 0.166666666666667, 0.500000000000000, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 95 coordinates: [ 0.500000000000000, 0.500000000000000, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 96 coordinates: [ 0.833333333333333, 0.500000000000000, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 97 coordinates: [ 0.166666666666667, 0.833333333333333, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 98 coordinates: [ 0.500000000000000, 0.833333333333333, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 99 coordinates: [ 0.833333333333333, 0.833333333333333, 0.499462093333333 ] mass: 39.098300 reduced_to: 82 - symbol: K # 100 coordinates: [ 0.166666666666667, 0.166666666666667, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 101 coordinates: [ 0.500000000000000, 0.166666666666667, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 102 coordinates: [ 0.833333333333333, 0.166666666666667, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 103 coordinates: [ 0.166666666666667, 0.500000000000000, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 105 coordinates: [ 0.833333333333333, 0.500000000000000, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 106 coordinates: [ 0.166666666666667, 0.833333333333333, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 107 coordinates: [ 0.500000000000000, 0.833333333333333, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: K # 108 coordinates: [ 0.833333333333333, 0.833333333333333, 0.832795426666667 ] mass: 39.098300 reduced_to: 82 - symbol: Nb # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 110 coordinates: [ 0.333333333333333, 0.000000000000000, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 111 coordinates: [ 0.666666666666667, 0.000000000000000, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 112 coordinates: [ 0.000000000000000, 0.333333333333333, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 113 coordinates: [ 0.333333333333333, 0.333333333333333, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 114 coordinates: [ 0.666666666666667, 0.333333333333333, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 115 coordinates: [ 0.000000000000000, 0.666666666666667, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 116 coordinates: [ 0.333333333333333, 0.666666666666667, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 117 coordinates: [ 0.666666666666667, 0.666666666666667, 0.004831043333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 118 coordinates: [ 0.000000000000000, 0.000000000000000, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 119 coordinates: [ 0.333333333333333, 0.000000000000000, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 120 coordinates: [ 0.666666666666667, 0.000000000000000, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 121 coordinates: [ 0.000000000000000, 0.333333333333333, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 122 coordinates: [ 0.333333333333333, 0.333333333333333, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 123 coordinates: [ 0.666666666666667, 0.333333333333333, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 124 coordinates: [ 0.000000000000000, 0.666666666666667, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 125 coordinates: [ 0.333333333333333, 0.666666666666667, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 126 coordinates: [ 0.666666666666667, 0.666666666666667, 0.338164376666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 127 coordinates: [ 0.000000000000000, 0.000000000000000, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 128 coordinates: [ 0.333333333333333, 0.000000000000000, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 129 coordinates: [ 0.666666666666667, 0.000000000000000, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 130 coordinates: [ 0.000000000000000, 0.333333333333333, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 131 coordinates: [ 0.333333333333333, 0.333333333333333, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 132 coordinates: [ 0.666666666666667, 0.333333333333333, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 133 coordinates: [ 0.000000000000000, 0.666666666666667, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 134 coordinates: [ 0.333333333333333, 0.666666666666667, 0.671497710000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 135 coordinates: [ 0.666666666666667, 0.666666666666667, 0.671497710000000 ] mass: 92.906380 reduced_to: 109born_effective_charge:- # 1 (O) - [ -7.314172130000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.850048720000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.386307680000000 ]- # 2 (O) - [ -1.850048720000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -7.314172130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.386307680000000 ]- # 3 (O) - [ -1.533001860000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.533001860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -5.531944640000000 ]- # 4 (K) - [ 1.143677460000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.143677460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.203204040000000 ]- # 5 (Nb) - [ 9.553545260000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 9.553545260000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.101355970000000 ]dielectric_constant: - [ 6.535492730000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.535492730000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.271673010000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2100878100000000, 0.0000000000000000, 0.0076878500000000 ] - [ 0.0593468200000000, 0.0000000000000000, 0.0038134300000000 ] - [ 0.0587522700000000, 0.0000000000000000, 0.0128191000000000 ] - [ -0.0135363400000000, -0.0000049600000000, 0.0083587800000000 ] - [ 0.0076221000000000, 0.0023375600000000, 0.0084440000000000 ] - [ 0.0076315700000000, -0.0023278700000000, 0.0082759800000000 ] - [ -0.0135363400000000, 0.0000049600000000, 0.0083587800000000 ] - [ 0.0076221000000000, -0.0023375600000000, 0.0084440000000000 ] - [ 0.0076315700000000, 0.0023278700000000, 0.0082759800000000 ] - [ -0.0095495800000000, 0.0000000000000000, 0.0083709800000000 ] - [ 0.0051840200000000, 0.0000000000000000, 0.0109647700000000 ] - [ 0.0051784100000000, 0.0000000000000000, 0.0057890800000000 ] - [ -0.0030294100000000, -0.0000052700000000, 0.0083572800000000 ] - [ 0.0014989600000000, 0.0002636000000000, 0.0087909300000000 ] - [ 0.0015137400000000, -0.0002609500000000, 0.0079394300000000 ] - [ -0.0030294100000000, 0.0000052700000000, 0.0083572800000000 ] - [ 0.0014989600000000, -0.0002636000000000, 0.0087909300000000 ] - [ 0.0015137400000000, 0.0002609500000000, 0.0079394300000000 ] - [ -0.0095497500000000, 0.0000000000000000, 0.0083836600000000 ] - [ 0.0051541800000000, 0.0000000000000000, 0.0074049900000000 ] - [ 0.0052084000000000, 0.0000000000000000, 0.0093337300000000 ] - [ -0.0030288200000000, -0.0000066200000000, 0.0083695600000000 ] - [ 0.0014951400000000, 0.0001999500000000, 0.0082254000000000 ] - [ 0.0015171100000000, -0.0002001000000000, 0.0085022300000000 ] - [ -0.0030288200000000, 0.0000066200000000, 0.0083695600000000 ] - [ 0.0014951400000000, -0.0001999500000000, 0.0082254000000000 ] - [ 0.0015171100000000, 0.0002001000000000, 0.0085022300000000 ] - [ 0.0105413100000000, -0.0375275400000000, 0.0095557700000000 ] - [ 0.0104606300000000, 0.0378406500000000, 0.0071474100000000 ] - [ 0.0048260600000000, 0.0000441600000000, 0.0083581800000000 ] - [ -0.0006854300000000, 0.0000000000000000, 0.0093577200000000 ] - [ -0.0006852400000000, 0.0000000000000000, 0.0073600200000000 ] - [ 0.0025649400000000, 0.0000000000000000, 0.0083592000000000 ] - [ 0.0105413100000000, 0.0375275400000000, 0.0095557700000000 ] - [ 0.0104606300000000, -0.0378406500000000, 0.0071474100000000 ] - [ 0.0048260600000000, -0.0000441600000000, 0.0083581800000000 ] - [ -0.0005963100000000, -0.0023045600000000, 0.0066895100000000 ] - [ -0.0006095800000000, 0.0023256800000000, 0.0100367100000000 ] - [ 0.0011649000000000, 0.0000075000000000, 0.0083667400000000 ] - [ -0.0002955600000000, 0.0000000000000000, 0.0078654400000000 ] - [ -0.0002994600000000, 0.0000000000000000, 0.0088632600000000 ] - [ 0.0005888000000000, 0.0000000000000000, 0.0083652900000000 ] - [ -0.0005963100000000, 0.0023045600000000, 0.0066895100000000 ] - [ -0.0006095800000000, -0.0023256800000000, 0.0100367100000000 ] - [ 0.0011649000000000, -0.0000075000000000, 0.0083667400000000 ] - [ -0.0005041100000000, -0.0023260400000000, 0.0090486500000000 ] - [ -0.0005187700000000, 0.0023048800000000, 0.0076928900000000 ] - [ 0.0009737000000000, 0.0000020700000000, 0.0083630400000000 ] - [ -0.0002591000000000, 0.0000000000000000, 0.0086198100000000 ] - [ -0.0002641900000000, 0.0000000000000000, 0.0081096400000000 ] - [ 0.0005294900000000, 0.0000000000000000, 0.0083627900000000 ] - [ -0.0005041100000000, 0.0023260400000000, 0.0090486500000000 ] - [ -0.0005187700000000, -0.0023048800000000, 0.0076928900000000 ] - [ 0.0009737000000000, -0.0000020700000000, 0.0083630400000000 ] - [ 0.0070631700000000, 0.0000000000000000, 0.0264578100000000 ] - [ 0.0069785100000000, 0.0000000000000000, -0.0222494500000000 ] - [ 0.0039199100000000, 0.0000000000000000, 0.0020717000000000 ] - [ -0.0005334900000000, -0.0010717200000000, 0.0046866500000000 ] - [ -0.0005491600000000, 0.0010598700000000, -0.0004765500000000 ] - [ 0.0010218700000000, 0.0000014400000000, 0.0020990100000000 ] - [ -0.0005334900000000, 0.0010717200000000, 0.0046866500000000 ] - [ -0.0005491600000000, -0.0010598700000000, -0.0004765500000000 ] - [ 0.0010218700000000, -0.0000014400000000, 0.0020990100000000 ] - [ 0.0103473700000000, 0.0000000000000000, -0.0303334700000000 ] - [ 0.0102478400000000, 0.0000000000000000, 0.0350489000000000 ] - [ 0.0046599900000000, 0.0000000000000000, 0.0021589400000000 ] - [ -0.0006516900000000, -0.0013894000000000, -0.0007594100000000 ] - [ -0.0006663800000000, 0.0013821200000000, 0.0049925900000000 ] - [ 0.0012593500000000, 0.0000026100000000, 0.0021175300000000 ] - [ -0.0006516900000000, 0.0013894000000000, -0.0007594100000000 ] - [ -0.0006663800000000, -0.0013821200000000, 0.0049925900000000 ] - [ 0.0012593500000000, -0.0000026100000000, 0.0021175300000000 ] - [ -0.0005173900000000, 0.0000000000000000, 0.0009536000000000 ] - [ -0.0005233000000000, 0.0000000000000000, 0.0033290900000000 ] - [ 0.0016032200000000, 0.0000000000000000, 0.0021259700000000 ] - [ -0.0002450000000000, -0.0003225300000000, 0.0018706200000000 ] - [ -0.0002489100000000, 0.0003228600000000, 0.0023665400000000 ] - [ 0.0004937200000000, 0.0000015500000000, 0.0021170100000000 ] - [ -0.0002450000000000, 0.0003225300000000, 0.0018706200000000 ] - [ -0.0002489100000000, -0.0003228600000000, 0.0023665400000000 ] - [ 0.0004937200000000, -0.0000015500000000, 0.0021170100000000 ] - [ 0.0046127800000000, 0.0000468400000000, -0.0003013400000000 ] - [ -0.0014331200000000, -0.0009750200000000, 0.0012366400000000 ] - [ -0.0014471000000000, 0.0009720800000000, -0.0017452400000000 ] - [ 0.0008978300000000, 0.0000000000000000, -0.0002594700000000 ] - [ -0.0004393600000000, 0.0000000000000000, 0.0000897400000000 ] - [ -0.0004438900000000, 0.0000000000000000, -0.0006057100000000 ] - [ 0.0046127800000000, -0.0000468400000000, -0.0003013400000000 ] - [ -0.0014331200000000, 0.0009750200000000, 0.0012366400000000 ] - [ -0.0014471000000000, -0.0009720800000000, -0.0017452400000000 ] - [ 0.0056931800000000, 0.0000368400000000, -0.0002128100000000 ] - [ -0.0021426000000000, -0.0015985500000000, -0.0016872200000000 ] - [ -0.0021489100000000, 0.0015836000000000, 0.0011564400000000 ] - [ 0.0012137500000000, 0.0000000000000000, -0.0002624100000000 ] - [ -0.0005960000000000, 0.0000000000000000, -0.0005958700000000 ] - [ -0.0005998000000000, 0.0000000000000000, 0.0000684400000000 ] - [ 0.0056931800000000, -0.0000368400000000, -0.0002128100000000 ] - [ -0.0021426000000000, 0.0015985500000000, -0.0016872200000000 ] - [ -0.0021489100000000, -0.0015836000000000, 0.0011564400000000 ] - [ 0.0008741100000000, -0.0000000100000000, -0.0002654100000000 ] - [ -0.0004308100000000, -0.0002186400000000, -0.0002734100000000 ] - [ -0.0004342700000000, 0.0002167400000000, -0.0002550500000000 ] - [ 0.0005418200000000, 0.0000000000000000, -0.0002628900000000 ] - [ -0.0002689600000000, 0.0000000000000000, -0.0002658000000000 ] - [ -0.0002716800000000, 0.0000000000000000, -0.0002598700000000 ] - [ 0.0008741100000000, 0.0000000100000000, -0.0002654100000000 ] - [ -0.0004308100000000, 0.0002186400000000, -0.0002734100000000 ] - [ -0.0004342700000000, -0.0002167400000000, -0.0002550500000000 ] - [ 0.0034630900000000, 0.0000000000000000, -0.0321345700000000 ] - [ 0.0035300100000000, 0.0000000000000000, -0.0051520500000000 ] - [ -0.0078104700000000, 0.0000000000000000, -0.0185570400000000 ] - [ 0.0013863500000000, 0.0016641700000000, -0.0203868600000000 ] - [ 0.0014192300000000, -0.0016362800000000, -0.0167772000000000 ] - [ -0.0027949200000000, -0.0000004400000000, -0.0185689100000000 ] - [ 0.0013863500000000, -0.0016641700000000, -0.0203868600000000 ] - [ 0.0014192300000000, 0.0016362800000000, -0.0167772000000000 ] - [ -0.0027949200000000, 0.0000004400000000, -0.0185689100000000 ] - [ 0.0151264200000000, 0.0000000000000000, -0.0291971500000000 ] - [ 0.0217229400000000, 0.0000000000000000, -0.0075208300000000 ] - [ -0.0482788000000000, 0.0000000000000000, -0.0185614800000000 ] - [ 0.0049322500000000, 0.0214572400000000, -0.0182454000000000 ] - [ 0.0049706800000000, -0.0214839100000000, -0.0188972700000000 ] - [ -0.0113382500000000, -0.0000289500000000, -0.0185705500000000 ] - [ 0.0049322500000000, -0.0214572400000000, -0.0182454000000000 ] - [ 0.0049706800000000, 0.0214839100000000, -0.0188972700000000 ] - [ -0.0113382500000000, 0.0000289500000000, -0.0185705500000000 ] - [ 0.0040227200000000, 0.0000000000000000, -0.0018608700000000 ] - [ 0.0040531500000000, 0.0000000000000000, -0.0354417200000000 ] - [ -0.0085453200000000, 0.0000000000000000, -0.0186126400000000 ] - [ 0.0014830300000000, 0.0018698000000000, -0.0164701000000000 ] - [ 0.0015103000000000, -0.0018743600000000, -0.0206891000000000 ] - [ -0.0029781100000000, -0.0000069000000000, -0.0185845100000000 ] - [ 0.0014830300000000, -0.0018698000000000, -0.0164701000000000 ] - [ 0.0015103000000000, 0.0018743600000000, -0.0206891000000000 ] - [ -0.0029781100000000, 0.0000069000000000, -0.0185845100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0545955100000000, 0.0084877300000000 ] - [ -0.0000935500000000, 0.0017952300000000, 0.0083783900000000 ] - [ 0.0000935500000000, 0.0017952300000000, 0.0083783900000000 ] - [ 0.0000000000000000, 0.0016895900000000, 0.0083258000000000 ] - [ 0.0023533700000000, 0.0013030200000000, 0.0082468100000000 ] - [ -0.0023533700000000, 0.0013030200000000, 0.0082468100000000 ] - [ 0.0000000000000000, 0.0016878100000000, 0.0084003000000000 ] - [ -0.0023143100000000, 0.0012973000000000, 0.0084769400000000 ] - [ 0.0023143100000000, 0.0012973000000000, 0.0084769400000000 ] - [ 0.0000000000000000, -0.0006788300000000, 0.0083601800000000 ] - [ 0.0000008300000000, -0.0001645500000000, 0.0083576900000000 ] - [ -0.0000008300000000, -0.0001645500000000, 0.0083576900000000 ] - [ 0.0000000000000000, 0.0003985800000000, 0.0088469300000000 ] - [ 0.0002014300000000, 0.0000988900000000, 0.0084967600000000 ] - [ -0.0002014300000000, 0.0000988900000000, 0.0084967600000000 ] - [ 0.0000000000000000, 0.0003975000000000, 0.0078841400000000 ] - [ -0.0001984800000000, 0.0001008200000000, 0.0082306800000000 ] - [ 0.0001984800000000, 0.0001008200000000, 0.0082306800000000 ] - [ 0.0000000000000000, -0.0006774700000000, 0.0083619300000000 ] - [ -0.0000013000000000, -0.0001639900000000, 0.0083649600000000 ] - [ 0.0000013000000000, -0.0001639900000000, 0.0083649600000000 ] - [ 0.0000000000000000, 0.0003989200000000, 0.0079803200000000 ] - [ 0.0002636100000000, 0.0000993600000000, 0.0082681300000000 ] - [ -0.0002636100000000, 0.0000993600000000, 0.0082681300000000 ] - [ 0.0000000000000000, 0.0003958500000000, 0.0087416300000000 ] - [ -0.0002601100000000, 0.0000997100000000, 0.0084576800000000 ] - [ 0.0002601100000000, 0.0000997100000000, 0.0084576800000000 ] - [ -0.0115033800000000, 0.0105470700000000, 0.0088714700000000 ] - [ 0.0115033800000000, 0.0105470700000000, 0.0088714700000000 ] - [ 0.0000000000000000, -0.0007127900000000, 0.0084656500000000 ] - [ -0.0000063200000000, 0.0048282200000000, 0.0083619300000000 ] - [ 0.0000063200000000, 0.0048282200000000, 0.0083619300000000 ] - [ 0.0000000000000000, 0.0025659600000000, 0.0083627200000000 ] - [ 0.0113231800000000, 0.0104558600000000, 0.0078607900000000 ] - [ -0.0113231800000000, 0.0104558600000000, 0.0078607900000000 ] - [ 0.0000000000000000, -0.0006592600000000, 0.0082594500000000 ] - [ -0.0002374700000000, -0.0005181800000000, 0.0087016500000000 ] - [ 0.0002374700000000, -0.0005181800000000, 0.0087016500000000 ] - [ 0.0000000000000000, -0.0002687600000000, 0.0084560300000000 ] - [ -0.0000010200000000, 0.0009743500000000, 0.0083644500000000 ] - [ 0.0000010200000000, 0.0009743500000000, 0.0083644500000000 ] - [ 0.0000000000000000, 0.0005295000000000, 0.0083641100000000 ] - [ 0.0002344200000000, -0.0005055800000000, 0.0080239700000000 ] - [ -0.0002344200000000, -0.0005055800000000, 0.0080239700000000 ] - [ 0.0000000000000000, -0.0002548600000000, 0.0082667200000000 ] - [ -0.0002377800000000, -0.0006097900000000, 0.0081228800000000 ] - [ 0.0002377800000000, -0.0006097900000000, 0.0081228800000000 ] - [ 0.0000000000000000, -0.0003033200000000, 0.0083150800000000 ] - [ -0.0000006500000000, 0.0011649700000000, 0.0083625800000000 ] - [ 0.0000006500000000, 0.0011649700000000, 0.0083625800000000 ] - [ 0.0000000000000000, 0.0005888300000000, 0.0083630100000000 ] - [ 0.0002339500000000, -0.0005962900000000, 0.0086015800000000 ] - [ -0.0002339500000000, -0.0005962900000000, 0.0086015800000000 ] - [ 0.0000000000000000, -0.0002919700000000, 0.0084131100000000 ] - [ 0.0000147300000000, -0.0025739200000000, 0.0021447100000000 ] - [ -0.0000147300000000, -0.0025739200000000, 0.0021447100000000 ] - [ 0.0000000000000000, -0.0003110100000000, 0.0021235100000000 ] - [ -0.0003055500000000, 0.0006497500000000, 0.0009071600000000 ] - [ 0.0003055500000000, 0.0006497500000000, 0.0009071600000000 ] - [ 0.0000000000000000, 0.0001183700000000, 0.0017320300000000 ] - [ 0.0003024800000000, 0.0006485800000000, 0.0033001800000000 ] - [ -0.0003024800000000, 0.0006485800000000, 0.0033001800000000 ] - [ 0.0000000000000000, 0.0001206100000000, 0.0024855000000000 ] - [ 0.0000142000000000, -0.0030649200000000, 0.0020712600000000 ] - [ -0.0000142000000000, -0.0030649200000000, 0.0020712600000000 ] - [ 0.0000000000000000, -0.0001656500000000, 0.0020987900000000 ] - [ -0.0002652200000000, 0.0007154100000000, 0.0031762300000000 ] - [ 0.0002652200000000, 0.0007154100000000, 0.0031762300000000 ] - [ 0.0000000000000000, 0.0001189300000000, 0.0025320400000000 ] - [ 0.0002620200000000, 0.0007158100000000, 0.0010545000000000 ] - [ -0.0002620200000000, 0.0007158100000000, 0.0010545000000000 ] - [ 0.0000000000000000, 0.0001236000000000, 0.0016895600000000 ] - [ 0.0000000100000000, -0.0002417600000000, 0.0021099800000000 ] - [ -0.0000000100000000, -0.0002417600000000, 0.0021099800000000 ] - [ 0.0000000000000000, -0.0001055000000000, 0.0021076200000000 ] - [ -0.0000580200000000, 0.0001036700000000, 0.0021397900000000 ] - [ 0.0000580200000000, 0.0001036700000000, 0.0021397900000000 ] - [ 0.0000000000000000, 0.0000506500000000, 0.0021231400000000 ] - [ 0.0000564400000000, 0.0001044400000000, 0.0020817100000000 ] - [ -0.0000564400000000, 0.0001044400000000, 0.0020817100000000 ] - [ 0.0000000000000000, 0.0000500800000000, 0.0020977700000000 ] - [ 0.0000000000000000, 0.0025731000000000, -0.0010157100000000 ] - [ -0.0003192300000000, 0.0002002400000000, 0.0001117800000000 ] - [ 0.0003192300000000, 0.0002002400000000, 0.0001117800000000 ] - [ 0.0000000000000000, -0.0005751000000000, -0.0002608700000000 ] - [ -0.0000002700000000, -0.0003147000000000, -0.0002602300000000 ] - [ 0.0000002700000000, -0.0003147000000000, -0.0002602300000000 ] - [ 0.0000000000000000, 0.0024480300000000, 0.0003535200000000 ] - [ 0.0003164500000000, 0.0001908000000000, -0.0006372600000000 ] - [ -0.0003164500000000, 0.0001908000000000, -0.0006372600000000 ] - [ 0.0000000000000000, 0.0004211200000000, -0.0013727000000000 ] - [ -0.0003069000000000, 0.0002092400000000, -0.0006327900000000 ] - [ 0.0003069000000000, 0.0002092400000000, -0.0006327900000000 ] - [ 0.0000000000000000, -0.0006323000000000, -0.0002636500000000 ] - [ -0.0000007500000000, -0.0003704000000000, -0.0002638100000000 ] - [ 0.0000007500000000, -0.0003704000000000, -0.0002638100000000 ] - [ 0.0000000000000000, 0.0003613300000000, 0.0009090800000000 ] - [ 0.0003052900000000, 0.0001985600000000, 0.0001102600000000 ] - [ -0.0003052900000000, 0.0001985600000000, 0.0001102600000000 ] - [ 0.0000000000000000, 0.0001032600000000, -0.0002330900000000 ] - [ -0.0000313500000000, 0.0000642300000000, -0.0002559200000000 ] - [ 0.0000313500000000, 0.0000642300000000, -0.0002559200000000 ] - [ 0.0000000000000000, -0.0001990100000000, -0.0002614400000000 ] - [ -0.0000003200000000, -0.0001290500000000, -0.0002617900000000 ] - [ 0.0000003200000000, -0.0001290500000000, -0.0002617900000000 ] - [ 0.0000000000000000, 0.0001008800000000, -0.0002900700000000 ] - [ 0.0000302200000000, 0.0000619700000000, -0.0002679700000000 ] - [ -0.0000302200000000, 0.0000619700000000, -0.0002679700000000 ] - [ 0.0000040100000000, 0.0016453000000000, -0.0185880500000000 ] - [ -0.0000040100000000, 0.0016453000000000, -0.0185880500000000 ] - [ 0.0000000000000000, 0.0006235100000000, -0.0185818800000000 ] - [ 0.0005566300000000, -0.0007943300000000, -0.0173864800000000 ] - [ -0.0005566300000000, -0.0007943300000000, -0.0173864800000000 ] - [ 0.0000000000000000, -0.0003071100000000, -0.0182534900000000 ] - [ -0.0005480400000000, -0.0008019000000000, -0.0197488300000000 ] - [ 0.0005480400000000, -0.0008019000000000, -0.0197488300000000 ] - [ 0.0000000000000000, -0.0003187900000000, -0.0188900600000000 ] - [ 0.0002815300000000, 0.0155459200000000, -0.0186109200000000 ] - [ -0.0002815300000000, 0.0155459200000000, -0.0186109200000000 ] - [ 0.0000000000000000, 0.0016615400000000, -0.0185743300000000 ] - [ 0.0017078000000000, -0.0099427800000000, -0.0188005700000000 ] - [ -0.0017078000000000, -0.0099427800000000, -0.0188005700000000 ] - [ 0.0000000000000000, -0.0013761600000000, -0.0186545400000000 ] - [ -0.0016787200000000, -0.0098966200000000, -0.0183503500000000 ] - [ 0.0016787200000000, -0.0098966200000000, -0.0183503500000000 ] - [ 0.0000000000000000, -0.0014177600000000, -0.0184953000000000 ] - [ 0.0000037800000000, 0.0013984500000000, -0.0185584200000000 ] - [ -0.0000037800000000, 0.0013984500000000, -0.0185584200000000 ] - [ 0.0000000000000000, 0.0005782000000000, -0.0185641900000000 ] - [ 0.0004607600000000, -0.0006785500000000, -0.0195329800000000 ] - [ -0.0004607600000000, -0.0006785500000000, -0.0195329800000000 ] - [ 0.0000000000000000, -0.0002841900000000, -0.0188860500000000 ] - [ -0.0004547300000000, -0.0006875400000000, -0.0176242700000000 ] - [ 0.0004547300000000, -0.0006875400000000, -0.0176242700000000 ] - [ 0.0000000000000000, -0.0002950300000000, -0.0182625800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0459839900000000 ] - [ 0.0044295700000000, 0.0000000000000000, 0.0084221000000000 ] - [ -0.0044295700000000, 0.0000000000000000, 0.0084221000000000 ] - [ 0.0000000000000000, 0.0000365200000000, 0.0075705700000000 ] - [ -0.0000843700000000, 0.0001118800000000, 0.0081888600000000 ] - [ 0.0000843700000000, 0.0001118800000000, 0.0081888600000000 ] - [ 0.0000000000000000, -0.0000365200000000, 0.0075705700000000 ] - [ -0.0000843700000000, -0.0001118800000000, 0.0081888600000000 ] - [ 0.0000843700000000, -0.0001118800000000, 0.0081888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095151500000000 ] - [ 0.0009745100000000, 0.0000000000000000, 0.0090543000000000 ] - [ -0.0009745100000000, 0.0000000000000000, 0.0090543000000000 ] - [ 0.0000000000000000, 0.0003823600000000, 0.0087939500000000 ] - [ 0.0001403600000000, 0.0000951000000000, 0.0084809900000000 ] - [ -0.0001403600000000, 0.0000951000000000, 0.0084809900000000 ] - [ 0.0000000000000000, -0.0003823600000000, 0.0087939500000000 ] - [ 0.0001403600000000, -0.0000951000000000, 0.0084809900000000 ] - [ -0.0001403600000000, -0.0000951000000000, 0.0084809900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095170700000000 ] - [ -0.0025733100000000, 0.0000000000000000, 0.0090546600000000 ] - [ 0.0025733100000000, 0.0000000000000000, 0.0090546600000000 ] - [ 0.0000000000000000, -0.0004782800000000, 0.0087922200000000 ] - [ -0.0004241000000000, -0.0001319100000000, 0.0084830100000000 ] - [ 0.0004241000000000, -0.0001319100000000, 0.0084830100000000 ] - [ 0.0000000000000000, 0.0004782800000000, 0.0087922200000000 ] - [ -0.0004241000000000, 0.0001319100000000, 0.0084830100000000 ] - [ 0.0004241000000000, 0.0001319100000000, 0.0084830100000000 ] - [ 0.0005229400000000, 0.0011645000000000, 0.0051535400000000 ] - [ -0.0005229400000000, 0.0011645000000000, 0.0051535400000000 ] - [ 0.0000000000000000, 0.0009900300000000, 0.0080796300000000 ] - [ 0.0001026000000000, 0.0000000000000000, 0.0080810200000000 ] - [ -0.0001026000000000, 0.0000000000000000, 0.0080810200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081839900000000 ] - [ 0.0005229400000000, -0.0011645000000000, 0.0051535400000000 ] - [ -0.0005229400000000, -0.0011645000000000, 0.0051535400000000 ] - [ 0.0000000000000000, -0.0009900300000000, 0.0080796300000000 ] - [ -0.0002403800000000, 0.0006811000000000, 0.0090028000000000 ] - [ 0.0002403800000000, 0.0006811000000000, 0.0090028000000000 ] - [ 0.0000000000000000, 0.0002558200000000, 0.0085488900000000 ] - [ -0.0000501100000000, 0.0000000000000000, 0.0084500600000000 ] - [ 0.0000501100000000, 0.0000000000000000, 0.0084500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084393600000000 ] - [ -0.0002403800000000, -0.0006811000000000, 0.0090028000000000 ] - [ 0.0002403800000000, -0.0006811000000000, 0.0090028000000000 ] - [ 0.0000000000000000, -0.0002558200000000, 0.0085488900000000 ] - [ 0.0003366900000000, -0.0016668600000000, 0.0090029400000000 ] - [ -0.0003366900000000, -0.0016668600000000, 0.0090029400000000 ] - [ 0.0000000000000000, -0.0004981400000000, 0.0084532100000000 ] - [ 0.0000942000000000, 0.0000000000000000, 0.0085520600000000 ] - [ -0.0000942000000000, 0.0000000000000000, 0.0085520600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084411900000000 ] - [ 0.0003366900000000, 0.0016668600000000, 0.0090029400000000 ] - [ -0.0003366900000000, 0.0016668600000000, 0.0090029400000000 ] - [ 0.0000000000000000, 0.0004981400000000, 0.0084532100000000 ] - [ 0.0092843400000000, 0.0000000000000000, 0.0116669500000000 ] - [ -0.0092843400000000, 0.0000000000000000, 0.0116669500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005668600000000 ] - [ 0.0003263800000000, -0.0003218600000000, 0.0014580900000000 ] - [ -0.0003263800000000, -0.0003218600000000, 0.0014580900000000 ] - [ 0.0000000000000000, -0.0000229900000000, 0.0015775800000000 ] - [ 0.0003263800000000, 0.0003218600000000, 0.0014580900000000 ] - [ -0.0003263800000000, 0.0003218600000000, 0.0014580900000000 ] - [ 0.0000000000000000, 0.0000229900000000, 0.0015775800000000 ] - [ -0.0116680500000000, 0.0000000000000000, 0.0079819800000000 ] - [ 0.0116680500000000, 0.0000000000000000, 0.0079819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023765400000000 ] - [ -0.0002208900000000, 0.0002623200000000, 0.0017669500000000 ] - [ 0.0002208900000000, 0.0002623200000000, 0.0017669500000000 ] - [ 0.0000000000000000, 0.0001069200000000, 0.0020686000000000 ] - [ -0.0002208900000000, -0.0002623200000000, 0.0017669500000000 ] - [ 0.0002208900000000, -0.0002623200000000, 0.0017669500000000 ] - [ 0.0000000000000000, -0.0001069200000000, 0.0020686000000000 ] - [ 0.0001786800000000, 0.0000000000000000, 0.0052330400000000 ] - [ -0.0001786800000000, 0.0000000000000000, 0.0052330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035887600000000 ] - [ 0.0000138400000000, -0.0000245400000000, 0.0031282800000000 ] - [ -0.0000138400000000, -0.0000245400000000, 0.0031282800000000 ] - [ 0.0000000000000000, -0.0000057000000000, 0.0026802000000000 ] - [ 0.0000138400000000, 0.0000245400000000, 0.0031282800000000 ] - [ -0.0000138400000000, 0.0000245400000000, 0.0031282800000000 ] - [ 0.0000000000000000, 0.0000057000000000, 0.0026802000000000 ] - [ 0.0000000000000000, -0.0005262600000000, 0.0019694400000000 ] - [ 0.0003254000000000, 0.0002118100000000, 0.0001989400000000 ] - [ -0.0003254000000000, 0.0002118100000000, 0.0001989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000426100000000 ] - [ 0.0000616400000000, 0.0000000000000000, -0.0000869200000000 ] - [ -0.0000616400000000, 0.0000000000000000, -0.0000869200000000 ] - [ 0.0000000000000000, 0.0005262600000000, 0.0019694400000000 ] - [ 0.0003254000000000, -0.0002118100000000, 0.0001989400000000 ] - [ -0.0003254000000000, -0.0002118100000000, 0.0001989400000000 ] - [ 0.0000000000000000, -0.0010368900000000, 0.0001400600000000 ] - [ -0.0002757300000000, -0.0004073600000000, -0.0003323000000000 ] - [ 0.0002757300000000, -0.0004073600000000, -0.0003323000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002194300000000 ] - [ -0.0000143000000000, 0.0000000000000000, -0.0002642500000000 ] - [ 0.0000143000000000, 0.0000000000000000, -0.0002642500000000 ] - [ 0.0000000000000000, 0.0010368900000000, 0.0001400600000000 ] - [ -0.0002757300000000, 0.0004073600000000, -0.0003323000000000 ] - [ 0.0002757300000000, 0.0004073600000000, -0.0003323000000000 ] - [ 0.0000000000000000, 0.0000615900000000, -0.0008473500000000 ] - [ 0.0000313600000000, 0.0000358700000000, -0.0006002600000000 ] - [ -0.0000313600000000, 0.0000358700000000, -0.0006002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005160700000000 ] - [ 0.0000122000000000, 0.0000000000000000, -0.0004364700000000 ] - [ -0.0000122000000000, 0.0000000000000000, -0.0004364700000000 ] - [ 0.0000000000000000, -0.0000615900000000, -0.0008473500000000 ] - [ 0.0000313600000000, -0.0000358700000000, -0.0006002600000000 ] - [ -0.0000313600000000, -0.0000358700000000, -0.0006002600000000 ] - [ -0.0022901200000000, 0.0000000000000000, -0.0266711700000000 ] - [ 0.0022901200000000, 0.0000000000000000, -0.0266711700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0182950600000000 ] - [ -0.0007090500000000, 0.0014331300000000, -0.0191539000000000 ] - [ 0.0007090500000000, 0.0014331300000000, -0.0191539000000000 ] - [ 0.0000000000000000, 0.0003608700000000, -0.0186131600000000 ] - [ -0.0007090500000000, -0.0014331300000000, -0.0191539000000000 ] - [ 0.0007090500000000, -0.0014331300000000, -0.0191539000000000 ] - [ 0.0000000000000000, -0.0003608700000000, -0.0186131600000000 ] - [ -0.0072854100000000, 0.0000000000000000, 0.0022216600000000 ] - [ 0.0072854100000000, 0.0000000000000000, 0.0022216600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0166011200000000 ] - [ -0.0001620400000000, -0.0006017700000000, -0.0171953900000000 ] - [ 0.0001620400000000, -0.0006017700000000, -0.0171953900000000 ] - [ 0.0000000000000000, -0.0006651200000000, -0.0179805900000000 ] - [ -0.0001620400000000, 0.0006017700000000, -0.0171953900000000 ] - [ 0.0001620400000000, 0.0006017700000000, -0.0171953900000000 ] - [ 0.0000000000000000, 0.0006651200000000, -0.0179805900000000 ] - [ 0.0008677600000000, 0.0000000000000000, -0.0241471100000000 ] - [ -0.0008677600000000, 0.0000000000000000, -0.0241471100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0198561900000000 ] - [ 0.0003824300000000, -0.0007727400000000, -0.0194750800000000 ] - [ -0.0003824300000000, -0.0007727400000000, -0.0194750800000000 ] - [ 0.0000000000000000, -0.0002361500000000, -0.0191173200000000 ] - [ 0.0003824300000000, 0.0007727400000000, -0.0194750800000000 ] - [ -0.0003824300000000, 0.0007727400000000, -0.0194750800000000 ] - [ 0.0000000000000000, 0.0002361500000000, -0.0191173200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0629207100000000 ] - [ -0.0045735800000000, 0.0000000000000000, 0.0083340700000000 ] - [ 0.0045735800000000, 0.0000000000000000, 0.0083340700000000 ] - [ 0.0000000000000000, -0.0000380700000000, 0.0091592600000000 ] - [ 0.0000835800000000, -0.0001180800000000, 0.0085376800000000 ] - [ -0.0000835800000000, -0.0001180800000000, 0.0085376800000000 ] - [ 0.0000000000000000, 0.0000380700000000, 0.0091592600000000 ] - [ 0.0000835800000000, 0.0001180800000000, 0.0085376800000000 ] - [ -0.0000835800000000, 0.0001180800000000, 0.0085376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072086200000000 ] - [ -0.0009537900000000, 0.0000000000000000, 0.0076712400000000 ] - [ 0.0009537900000000, 0.0000000000000000, 0.0076712400000000 ] - [ 0.0000000000000000, -0.0003787700000000, 0.0079334700000000 ] - [ -0.0001373700000000, -0.0000946000000000, 0.0082430400000000 ] - [ 0.0001373700000000, -0.0000946000000000, 0.0082430400000000 ] - [ 0.0000000000000000, 0.0003787700000000, 0.0079334700000000 ] - [ -0.0001373700000000, 0.0000946000000000, 0.0082430400000000 ] - [ 0.0001373700000000, 0.0000946000000000, 0.0082430400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072097100000000 ] - [ 0.0026027800000000, 0.0000000000000000, 0.0076709800000000 ] - [ -0.0026027800000000, 0.0000000000000000, 0.0076709800000000 ] - [ 0.0000000000000000, 0.0004844200000000, 0.0079313200000000 ] - [ 0.0004286500000000, 0.0001345000000000, 0.0082447300000000 ] - [ -0.0004286500000000, 0.0001345000000000, 0.0082447300000000 ] - [ 0.0000000000000000, -0.0004844200000000, 0.0079313200000000 ] - [ 0.0004286500000000, -0.0001345000000000, 0.0082447300000000 ] - [ -0.0004286500000000, -0.0001345000000000, 0.0082447300000000 ] - [ -0.0004873400000000, -0.0012430400000000, 0.0115771700000000 ] - [ 0.0004873400000000, -0.0012430400000000, 0.0115771700000000 ] - [ 0.0000000000000000, -0.0010072600000000, 0.0086471600000000 ] - [ -0.0001036400000000, 0.0000000000000000, 0.0086482400000000 ] - [ 0.0001036400000000, 0.0000000000000000, 0.0086482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085425000000000 ] - [ -0.0004873400000000, 0.0012430400000000, 0.0115771700000000 ] - [ 0.0004873400000000, 0.0012430400000000, 0.0115771700000000 ] - [ 0.0000000000000000, 0.0010072600000000, 0.0086471600000000 ] - [ 0.0002377300000000, -0.0006749100000000, 0.0077222200000000 ] - [ -0.0002377300000000, -0.0006749100000000, 0.0077222200000000 ] - [ 0.0000000000000000, -0.0002564900000000, 0.0081719100000000 ] - [ 0.0000482300000000, 0.0000000000000000, 0.0082742600000000 ] - [ -0.0000482300000000, 0.0000000000000000, 0.0082742600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082856400000000 ] - [ 0.0002377300000000, 0.0006749100000000, 0.0077222200000000 ] - [ -0.0002377300000000, 0.0006749100000000, 0.0077222200000000 ] - [ 0.0000000000000000, 0.0002564900000000, 0.0081719100000000 ] - [ -0.0003406600000000, 0.0016805900000000, 0.0077217700000000 ] - [ 0.0003406600000000, 0.0016805900000000, 0.0077217700000000 ] - [ 0.0000000000000000, 0.0005011000000000, 0.0082770600000000 ] - [ -0.0000954500000000, 0.0000000000000000, 0.0081747800000000 ] - [ 0.0000954500000000, 0.0000000000000000, 0.0081747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082869100000000 ] - [ -0.0003406600000000, -0.0016805900000000, 0.0077217700000000 ] - [ 0.0003406600000000, -0.0016805900000000, 0.0077217700000000 ] - [ 0.0000000000000000, -0.0005011000000000, 0.0082770600000000 ] - [ -0.0094131000000000, 0.0000000000000000, -0.0075207300000000 ] - [ 0.0094131000000000, 0.0000000000000000, -0.0075207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036907000000000 ] - [ -0.0003304800000000, 0.0003253700000000, 0.0027728300000000 ] - [ 0.0003304800000000, 0.0003253700000000, 0.0027728300000000 ] - [ 0.0000000000000000, 0.0000234500000000, 0.0026560300000000 ] - [ -0.0003304800000000, -0.0003253700000000, 0.0027728300000000 ] - [ 0.0003304800000000, -0.0003253700000000, 0.0027728300000000 ] - [ 0.0000000000000000, -0.0000234500000000, 0.0026560300000000 ] - [ 0.0114770400000000, 0.0000000000000000, -0.0036963100000000 ] - [ -0.0114770400000000, 0.0000000000000000, -0.0036963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018197100000000 ] - [ 0.0002180200000000, -0.0002616500000000, 0.0024429000000000 ] - [ -0.0002180200000000, -0.0002616500000000, 0.0024429000000000 ] - [ 0.0000000000000000, -0.0001083600000000, 0.0021408500000000 ] - [ 0.0002180200000000, 0.0002616500000000, 0.0024429000000000 ] - [ -0.0002180200000000, 0.0002616500000000, 0.0024429000000000 ] - [ 0.0000000000000000, 0.0001083600000000, 0.0021408500000000 ] - [ -0.0001846400000000, 0.0000000000000000, -0.0010186500000000 ] - [ 0.0001846400000000, 0.0000000000000000, -0.0010186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006261000000000 ] - [ -0.0000154400000000, 0.0000263000000000, 0.0010904300000000 ] - [ 0.0000154400000000, 0.0000263000000000, 0.0010904300000000 ] - [ 0.0000000000000000, 0.0000077800000000, 0.0015398100000000 ] - [ -0.0000154400000000, -0.0000263000000000, 0.0010904300000000 ] - [ 0.0000154400000000, -0.0000263000000000, 0.0010904300000000 ] - [ 0.0000000000000000, -0.0000077800000000, 0.0015398100000000 ] - [ 0.0000000000000000, 0.0006542900000000, -0.0026075700000000 ] - [ -0.0003277600000000, -0.0002110200000000, -0.0007310700000000 ] - [ 0.0003277600000000, -0.0002110200000000, -0.0007310700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004851700000000 ] - [ -0.0000619800000000, 0.0000000000000000, -0.0004398000000000 ] - [ 0.0000619800000000, 0.0000000000000000, -0.0004398000000000 ] - [ 0.0000000000000000, -0.0006542900000000, -0.0026075700000000 ] - [ -0.0003277600000000, 0.0002110200000000, -0.0007310700000000 ] - [ 0.0003277600000000, 0.0002110200000000, -0.0007310700000000 ] - [ 0.0000000000000000, 0.0011042100000000, -0.0005908900000000 ] - [ 0.0002737500000000, 0.0004080400000000, -0.0001845100000000 ] - [ -0.0002737500000000, 0.0004080400000000, -0.0001845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003020100000000 ] - [ 0.0000137600000000, 0.0000000000000000, -0.0002573200000000 ] - [ -0.0000137600000000, 0.0000000000000000, -0.0002573200000000 ] - [ 0.0000000000000000, -0.0011042100000000, -0.0005908900000000 ] - [ 0.0002737500000000, -0.0004080400000000, -0.0001845100000000 ] - [ -0.0002737500000000, -0.0004080400000000, -0.0001845100000000 ] - [ 0.0000000000000000, -0.0000631200000000, 0.0003257000000000 ] - [ -0.0000329200000000, -0.0000375200000000, 0.0000769900000000 ] - [ 0.0000329200000000, -0.0000375200000000, 0.0000769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000062800000000 ] - [ -0.0000128700000000, 0.0000000000000000, -0.0000868800000000 ] - [ 0.0000128700000000, 0.0000000000000000, -0.0000868800000000 ] - [ 0.0000000000000000, 0.0000631200000000, 0.0003257000000000 ] - [ -0.0000329200000000, 0.0000375200000000, 0.0000769900000000 ] - [ 0.0000329200000000, 0.0000375200000000, 0.0000769900000000 ] - [ 0.0023226800000000, 0.0000000000000000, -0.0104397900000000 ] - [ -0.0023226800000000, 0.0000000000000000, -0.0104397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0188783900000000 ] - [ 0.0007181700000000, -0.0014461100000000, -0.0179965300000000 ] - [ -0.0007181700000000, -0.0014461100000000, -0.0179965300000000 ] - [ 0.0000000000000000, -0.0003629200000000, -0.0185430100000000 ] - [ 0.0007181700000000, 0.0014461100000000, -0.0179965300000000 ] - [ -0.0007181700000000, 0.0014461100000000, -0.0179965300000000 ] - [ 0.0000000000000000, 0.0003629200000000, -0.0185430100000000 ] - [ 0.0077580300000000, 0.0000000000000000, -0.0394962100000000 ] - [ -0.0077580300000000, 0.0000000000000000, -0.0394962100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0205401300000000 ] - [ 0.0001700300000000, 0.0006355400000000, -0.0199546700000000 ] - [ -0.0001700300000000, 0.0006355400000000, -0.0199546700000000 ] - [ 0.0000000000000000, 0.0006787400000000, -0.0191681600000000 ] - [ 0.0001700300000000, -0.0006355400000000, -0.0199546700000000 ] - [ -0.0001700300000000, -0.0006355400000000, -0.0199546700000000 ] - [ 0.0000000000000000, -0.0006787400000000, -0.0191681600000000 ] - [ -0.0008545800000000, 0.0000000000000000, -0.0130233000000000 ] - [ 0.0008545800000000, 0.0000000000000000, -0.0130233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0172674600000000 ] - [ -0.0003766800000000, 0.0007659400000000, -0.0176646300000000 ] - [ 0.0003766800000000, 0.0007659400000000, -0.0176646300000000 ] - [ 0.0000000000000000, 0.0002356700000000, -0.0180197900000000 ] - [ -0.0003766800000000, -0.0007659400000000, -0.0176646300000000 ] - [ 0.0003766800000000, -0.0007659400000000, -0.0176646300000000 ] - [ 0.0000000000000000, -0.0002356700000000, -0.0180197900000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0070698200000000, 0.0000000000000000, 0.0177940700000000 ] - [ 0.0039210000000000, 0.0000000000000000, 0.0083656500000000 ] - [ 0.0069724200000000, 0.0000000000000000, -0.0009043500000000 ] - [ -0.0005474200000000, 0.0003064700000000, 0.0086926500000000 ] - [ 0.0010230800000000, 0.0000011600000000, 0.0083626100000000 ] - [ -0.0005368900000000, -0.0003028100000000, 0.0080350600000000 ] - [ -0.0005474200000000, -0.0003064700000000, 0.0086926500000000 ] - [ 0.0010230800000000, -0.0000011600000000, 0.0083626100000000 ] - [ -0.0005368900000000, 0.0003028100000000, 0.0080350600000000 ] - [ -0.0005413400000000, 0.0000000000000000, 0.0085460500000000 ] - [ 0.0016047400000000, 0.0000000000000000, 0.0083647800000000 ] - [ -0.0005010800000000, 0.0000000000000000, 0.0081822600000000 ] - [ -0.0002526800000000, 0.0000570500000000, 0.0083783400000000 ] - [ 0.0004931900000000, 0.0000011000000000, 0.0083634700000000 ] - [ -0.0002409900000000, -0.0000591100000000, 0.0083492700000000 ] - [ -0.0002526800000000, -0.0000570500000000, 0.0083783400000000 ] - [ 0.0004931900000000, -0.0000011000000000, 0.0083634700000000 ] - [ -0.0002409900000000, 0.0000591100000000, 0.0083492700000000 ] - [ 0.0103166800000000, 0.0000000000000000, -0.0032842300000000 ] - [ 0.0046614500000000, 0.0000000000000000, 0.0083624500000000 ] - [ 0.0102801000000000, 0.0000000000000000, 0.0198606800000000 ] - [ -0.0006678800000000, 0.0002642100000000, 0.0081416900000000 ] - [ 0.0012596500000000, 0.0000012900000000, 0.0083625000000000 ] - [ -0.0006507300000000, -0.0002637000000000, 0.0085807300000000 ] - [ -0.0006678800000000, -0.0002642100000000, 0.0081416900000000 ] - [ 0.0012596500000000, -0.0000012900000000, 0.0083625000000000 ] - [ -0.0006507300000000, 0.0002637000000000, 0.0085807300000000 ] - [ -0.0025741800000000, -0.0000189800000000, 0.0083517500000000 ] - [ 0.0006508100000000, 0.0010740500000000, 0.0086874700000000 ] - [ 0.0006476200000000, -0.0010568100000000, 0.0080399500000000 ] - [ -0.0003116800000000, 0.0000000000000000, 0.0083620700000000 ] - [ 0.0001198400000000, 0.0000000000000000, 0.0083856900000000 ] - [ 0.0001197800000000, 0.0000000000000000, 0.0083390100000000 ] - [ -0.0025741800000000, 0.0000189800000000, 0.0083517500000000 ] - [ 0.0006508100000000, -0.0010740500000000, 0.0086874700000000 ] - [ 0.0006476200000000, 0.0010568100000000, 0.0080399500000000 ] - [ -0.0002417100000000, -0.0000129500000000, 0.0083636200000000 ] - [ 0.0001021500000000, 0.0003226400000000, 0.0083893500000000 ] - [ 0.0001057800000000, -0.0003232200000000, 0.0083377800000000 ] - [ -0.0001057600000000, 0.0000000000000000, 0.0083646500000000 ] - [ 0.0000499100000000, 0.0000000000000000, 0.0083700500000000 ] - [ 0.0000509700000000, 0.0000000000000000, 0.0083571700000000 ] - [ -0.0002417100000000, 0.0000129500000000, 0.0083636200000000 ] - [ 0.0001021500000000, -0.0003226400000000, 0.0083893500000000 ] - [ 0.0001057800000000, 0.0003232200000000, 0.0083377800000000 ] - [ -0.0030636000000000, -0.0000634600000000, 0.0083819300000000 ] - [ 0.0007145500000000, 0.0013908100000000, 0.0080989300000000 ] - [ 0.0007152900000000, -0.0013819200000000, 0.0086237100000000 ] - [ -0.0001664200000000, 0.0000000000000000, 0.0083625100000000 ] - [ 0.0001198700000000, 0.0000000000000000, 0.0082542800000000 ] - [ 0.0001232200000000, 0.0000000000000000, 0.0084697500000000 ] - [ -0.0030636000000000, 0.0000634600000000, 0.0083819300000000 ] - [ 0.0007145500000000, -0.0013908100000000, 0.0080989300000000 ] - [ 0.0007152900000000, 0.0013819200000000, 0.0086237100000000 ] - [ -0.0546214800000000, 0.0000000000000000, 0.0016846800000000 ] - [ 0.0013225400000000, 0.0000000000000000, 0.0024975900000000 ] - [ 0.0013236000000000, 0.0000000000000000, 0.0017190000000000 ] - [ -0.0007803400000000, -0.0000012000000000, 0.0021013900000000 ] - [ 0.0004295400000000, 0.0004546100000000, 0.0019303800000000 ] - [ 0.0004274300000000, -0.0004487500000000, 0.0022821700000000 ] - [ -0.0007803400000000, 0.0000012000000000, 0.0021013900000000 ] - [ 0.0004295400000000, -0.0004546100000000, 0.0019303800000000 ] - [ 0.0004274300000000, 0.0004487500000000, 0.0022821700000000 ] - [ 0.0008460200000000, 0.0000000000000000, 0.0020589900000000 ] - [ 0.0009197100000000, 0.0000000000000000, 0.0035308000000000 ] - [ 0.0009121000000000, 0.0000000000000000, 0.0007232500000000 ] - [ -0.0001354400000000, -0.0000027500000000, 0.0021118900000000 ] - [ 0.0000888500000000, 0.0001007300000000, 0.0023221100000000 ] - [ 0.0000892800000000, -0.0000992500000000, 0.0019040600000000 ] - [ -0.0001354400000000, 0.0000027500000000, 0.0021118900000000 ] - [ 0.0000888500000000, -0.0001007300000000, 0.0023221100000000 ] - [ 0.0000892800000000, 0.0000992500000000, 0.0019040600000000 ] - [ 0.0008469300000000, 0.0000000000000000, 0.0021947600000000 ] - [ 0.0009156800000000, 0.0000000000000000, 0.0004172800000000 ] - [ 0.0009153300000000, 0.0000000000000000, 0.0037875200000000 ] - [ -0.0001355000000000, -0.0000048400000000, 0.0021144700000000 ] - [ 0.0000878300000000, 0.0001008500000000, 0.0018841800000000 ] - [ 0.0000903400000000, -0.0000985000000000, 0.0023363900000000 ] - [ -0.0001355000000000, 0.0000048400000000, 0.0021144700000000 ] - [ 0.0000878300000000, -0.0001008500000000, 0.0018841800000000 ] - [ 0.0000903400000000, 0.0000985000000000, 0.0023363900000000 ] - [ 0.0019100800000000, 0.0003741500000000, -0.0004751900000000 ] - [ -0.0005795800000000, -0.0000011200000000, -0.0002609300000000 ] - [ 0.0018106200000000, -0.0002636000000000, -0.0000371100000000 ] - [ 0.0001121100000000, 0.0000000000000000, -0.0002661500000000 ] - [ -0.0002105000000000, 0.0000000000000000, -0.0002613500000000 ] - [ 0.0001084400000000, 0.0000000000000000, -0.0002565500000000 ] - [ 0.0019100800000000, -0.0003741500000000, -0.0004751900000000 ] - [ -0.0005795800000000, 0.0000011200000000, -0.0002609300000000 ] - [ 0.0018106200000000, 0.0002636000000000, -0.0000371100000000 ] - [ 0.0001881700000000, -0.0002658600000000, -0.0004891600000000 ] - [ -0.0002970900000000, -0.0000015900000000, -0.0002637300000000 ] - [ 0.0001815900000000, 0.0002654500000000, -0.0000389000000000 ] - [ 0.0000635200000000, 0.0000000000000000, -0.0002963100000000 ] - [ -0.0001286900000000, 0.0000000000000000, -0.0002628000000000 ] - [ 0.0000609600000000, 0.0000000000000000, -0.0002298800000000 ] - [ 0.0001881700000000, 0.0002658600000000, -0.0004891600000000 ] - [ -0.0002970900000000, 0.0000015900000000, -0.0002637300000000 ] - [ 0.0001815900000000, -0.0002654500000000, -0.0000389000000000 ] - [ 0.0001634800000000, -0.0003761800000000, 0.0001013300000000 ] - [ -0.0002857800000000, -0.0000009700000000, -0.0002612100000000 ] - [ 0.0001552400000000, 0.0003792400000000, -0.0006251800000000 ] - [ 0.0000621400000000, 0.0000000000000000, -0.0002219200000000 ] - [ -0.0001231700000000, 0.0000000000000000, -0.0002617200000000 ] - [ 0.0000586500000000, 0.0000000000000000, -0.0003009300000000 ] - [ 0.0001634800000000, 0.0003761800000000, 0.0001013300000000 ] - [ -0.0002857800000000, 0.0000009700000000, -0.0002612100000000 ] - [ 0.0001552400000000, -0.0003792400000000, -0.0006251800000000 ] - [ 0.0227009600000000, 0.0000000000000000, -0.0180887500000000 ] - [ -0.0099223800000000, 0.0000000000000000, -0.0182955300000000 ] - [ -0.0099094100000000, 0.0000000000000000, -0.0188457100000000 ] - [ 0.0016085600000000, 0.0000296600000000, -0.0185653100000000 ] - [ -0.0007820100000000, -0.0012462200000000, -0.0179676900000000 ] - [ -0.0007912800000000, 0.0012395900000000, -0.0191687100000000 ] - [ 0.0016085600000000, -0.0000296600000000, -0.0185653100000000 ] - [ -0.0007820100000000, 0.0012462200000000, -0.0179676900000000 ] - [ -0.0007912800000000, -0.0012395900000000, -0.0191687100000000 ] - [ 0.0138247100000000, 0.0000000000000000, -0.0186854500000000 ] - [ -0.0072678500000000, 0.0000000000000000, -0.0203036700000000 ] - [ -0.0072119900000000, 0.0000000000000000, -0.0168687200000000 ] - [ 0.0014994000000000, 0.0000061100000000, -0.0185746200000000 ] - [ -0.0007263500000000, -0.0010642800000000, -0.0190078800000000 ] - [ -0.0007313900000000, 0.0010495000000000, -0.0181463100000000 ] - [ 0.0014994000000000, -0.0000061100000000, -0.0185746200000000 ] - [ -0.0007263500000000, 0.0010642800000000, -0.0190078800000000 ] - [ -0.0007313900000000, -0.0010495000000000, -0.0181463100000000 ] - [ 0.0014863900000000, 0.0000000000000000, -0.0185951900000000 ] - [ -0.0008419400000000, 0.0000000000000000, -0.0182724700000000 ] - [ -0.0008708600000000, 0.0000000000000000, -0.0188872400000000 ] - [ 0.0005373300000000, 0.0000071200000000, -0.0185791000000000 ] - [ -0.0002637500000000, -0.0002638900000000, -0.0185394500000000 ] - [ -0.0002727700000000, 0.0002646400000000, -0.0186117200000000 ] - [ 0.0005373300000000, -0.0000071200000000, -0.0185791000000000 ] - [ -0.0002637500000000, 0.0002638900000000, -0.0185394500000000 ] - [ -0.0002727700000000, -0.0002646400000000, -0.0186117200000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0245732400000000, 0.0000000000000000, 0.0179878100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067926900000000 ] - [ -0.0245732400000000, 0.0000000000000000, 0.0179878100000000 ] - [ 0.0025970200000000, 0.0011967200000000, 0.0076941700000000 ] - [ 0.0000000000000000, 0.0003786700000000, 0.0078190900000000 ] - [ -0.0025970200000000, 0.0011967200000000, 0.0076941700000000 ] - [ 0.0025970200000000, -0.0011967200000000, 0.0076941700000000 ] - [ 0.0000000000000000, -0.0003786700000000, 0.0078190900000000 ] - [ -0.0025970200000000, -0.0011967200000000, 0.0076941700000000 ] - [ -0.0011561900000000, 0.0000000000000000, 0.0115004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098488300000000 ] - [ 0.0011561900000000, 0.0000000000000000, 0.0115004200000000 ] - [ -0.0002431900000000, -0.0000264500000000, 0.0093848600000000 ] - [ 0.0000000000000000, -0.0000107300000000, 0.0089339300000000 ] - [ 0.0002431900000000, -0.0000264500000000, 0.0093848600000000 ] - [ -0.0002431900000000, 0.0000264500000000, 0.0093848600000000 ] - [ 0.0000000000000000, 0.0000107300000000, 0.0089339300000000 ] - [ 0.0002431900000000, 0.0000264500000000, 0.0093848600000000 ] - [ -0.0326478200000000, 0.0000000000000000, 0.0142835500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086460200000000 ] - [ 0.0326478200000000, 0.0000000000000000, 0.0142835500000000 ] - [ -0.0028836000000000, -0.0010670800000000, 0.0080285500000000 ] - [ 0.0000000000000000, -0.0004230400000000, 0.0083270100000000 ] - [ 0.0028836000000000, -0.0010670800000000, 0.0080285500000000 ] - [ -0.0028836000000000, 0.0010670800000000, 0.0080285500000000 ] - [ 0.0000000000000000, 0.0004230400000000, 0.0083270100000000 ] - [ 0.0028836000000000, 0.0010670800000000, 0.0080285500000000 ] - [ 0.0000000000000000, 0.0245732400000000, 0.0179878100000000 ] - [ 0.0011967200000000, 0.0025970200000000, 0.0076941700000000 ] - [ -0.0011967200000000, 0.0025970200000000, 0.0076941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067926900000000 ] - [ 0.0003786700000000, 0.0000000000000000, 0.0078190900000000 ] - [ -0.0003786700000000, 0.0000000000000000, 0.0078190900000000 ] - [ 0.0000000000000000, -0.0245732400000000, 0.0179878100000000 ] - [ 0.0011967200000000, -0.0025970200000000, 0.0076941700000000 ] - [ -0.0011967200000000, -0.0025970200000000, 0.0076941700000000 ] - [ 0.0000000000000000, -0.0011561900000000, 0.0115004200000000 ] - [ -0.0000264500000000, -0.0002431900000000, 0.0093848600000000 ] - [ 0.0000264500000000, -0.0002431900000000, 0.0093848600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098488300000000 ] - [ -0.0000107300000000, 0.0000000000000000, 0.0089339300000000 ] - [ 0.0000107300000000, 0.0000000000000000, 0.0089339300000000 ] - [ 0.0000000000000000, 0.0011561900000000, 0.0115004200000000 ] - [ -0.0000264500000000, 0.0002431900000000, 0.0093848600000000 ] - [ 0.0000264500000000, 0.0002431900000000, 0.0093848600000000 ] - [ 0.0000000000000000, -0.0326478200000000, 0.0142835500000000 ] - [ -0.0010670800000000, -0.0028836000000000, 0.0080285500000000 ] - [ 0.0010670800000000, -0.0028836000000000, 0.0080285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086460200000000 ] - [ -0.0004230400000000, 0.0000000000000000, 0.0083270100000000 ] - [ 0.0004230400000000, 0.0000000000000000, 0.0083270100000000 ] - [ 0.0000000000000000, 0.0326478200000000, 0.0142835500000000 ] - [ -0.0010670800000000, 0.0028836000000000, 0.0080285500000000 ] - [ 0.0010670800000000, 0.0028836000000000, 0.0080285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2515041700000000 ] - [ -0.0003949300000000, 0.0000000000000000, -0.0067903900000000 ] - [ 0.0003949300000000, 0.0000000000000000, -0.0067903900000000 ] - [ 0.0000000000000000, -0.0003949300000000, -0.0067903900000000 ] - [ 0.0001699700000000, 0.0001699700000000, -0.0009754400000000 ] - [ -0.0001699700000000, 0.0001699700000000, -0.0009754400000000 ] - [ 0.0000000000000000, 0.0003949300000000, -0.0067903900000000 ] - [ 0.0001699700000000, -0.0001699700000000, -0.0009754400000000 ] - [ -0.0001699700000000, -0.0001699700000000, -0.0009754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0446410000000000 ] - [ 0.0016972900000000, 0.0000000000000000, 0.0066092300000000 ] - [ -0.0016972900000000, 0.0000000000000000, 0.0066092300000000 ] - [ 0.0000000000000000, 0.0016972900000000, 0.0066092300000000 ] - [ 0.0002283000000000, 0.0002283000000000, 0.0035631900000000 ] - [ -0.0002283000000000, 0.0002283000000000, 0.0035631900000000 ] - [ 0.0000000000000000, -0.0016972900000000, 0.0066092300000000 ] - [ 0.0002283000000000, -0.0002283000000000, 0.0035631900000000 ] - [ -0.0002283000000000, -0.0002283000000000, 0.0035631900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0441478400000000 ] - [ -0.0014078100000000, 0.0000000000000000, 0.0066189100000000 ] - [ 0.0014078100000000, 0.0000000000000000, 0.0066189100000000 ] - [ 0.0000000000000000, -0.0014078100000000, 0.0066189100000000 ] - [ -0.0002082400000000, -0.0002082400000000, 0.0035761500000000 ] - [ 0.0002082400000000, -0.0002082400000000, 0.0035761500000000 ] - [ 0.0000000000000000, 0.0014078100000000, 0.0066189100000000 ] - [ -0.0002082400000000, 0.0002082400000000, 0.0035761500000000 ] - [ 0.0002082400000000, 0.0002082400000000, 0.0035761500000000 ] - [ -0.0017841600000000, -0.0017841600000000, 0.0040236000000000 ] - [ 0.0000000000000000, 0.0001800200000000, 0.0008670700000000 ] - [ 0.0017841600000000, -0.0017841600000000, 0.0040236000000000 ] - [ 0.0001800200000000, 0.0000000000000000, 0.0008670700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004577700000000 ] - [ -0.0001800200000000, 0.0000000000000000, 0.0008670700000000 ] - [ -0.0017841600000000, 0.0017841600000000, 0.0040236000000000 ] - [ 0.0000000000000000, -0.0001800200000000, 0.0008670700000000 ] - [ 0.0017841600000000, 0.0017841600000000, 0.0040236000000000 ] - [ -0.0010416700000000, -0.0010416700000000, -0.0019001100000000 ] - [ 0.0000000000000000, -0.0002860100000000, -0.0008919900000000 ] - [ 0.0010416700000000, -0.0010416700000000, -0.0019001100000000 ] - [ -0.0002860100000000, 0.0000000000000000, -0.0008919900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006782900000000 ] - [ 0.0002860100000000, 0.0000000000000000, -0.0008919900000000 ] - [ -0.0010416700000000, 0.0010416700000000, -0.0019001100000000 ] - [ 0.0000000000000000, 0.0002860100000000, -0.0008919900000000 ] - [ 0.0010416700000000, 0.0010416700000000, -0.0019001100000000 ] - [ 0.0010597500000000, 0.0010597500000000, -0.0018269600000000 ] - [ 0.0000000000000000, 0.0002171000000000, -0.0007624300000000 ] - [ -0.0010597500000000, 0.0010597500000000, -0.0018269600000000 ] - [ 0.0002171000000000, 0.0000000000000000, -0.0007624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005729100000000 ] - [ -0.0002171000000000, 0.0000000000000000, -0.0007624300000000 ] - [ 0.0010597500000000, -0.0010597500000000, -0.0018269600000000 ] - [ 0.0000000000000000, -0.0002171000000000, -0.0007624300000000 ] - [ -0.0010597500000000, -0.0010597500000000, -0.0018269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1402080900000000 ] - [ 0.0167703800000000, 0.0000000000000000, -0.0143149800000000 ] - [ -0.0167703800000000, 0.0000000000000000, -0.0143149800000000 ] - [ 0.0000000000000000, 0.0167703800000000, -0.0143149800000000 ] - [ 0.0018914200000000, 0.0018914200000000, -0.0167673900000000 ] - [ -0.0018914200000000, 0.0018914200000000, -0.0167673900000000 ] - [ 0.0000000000000000, -0.0167703800000000, -0.0143149800000000 ] - [ 0.0018914200000000, -0.0018914200000000, -0.0167673900000000 ] - [ -0.0018914200000000, -0.0018914200000000, -0.0167673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0582243600000000 ] - [ -0.0150037700000000, 0.0000000000000000, -0.0156812700000000 ] - [ 0.0150037700000000, 0.0000000000000000, -0.0156812700000000 ] - [ 0.0000000000000000, -0.0150037700000000, -0.0156812700000000 ] - [ -0.0020204000000000, -0.0020204000000000, -0.0174669100000000 ] - [ 0.0020204000000000, -0.0020204000000000, -0.0174669100000000 ] - [ 0.0000000000000000, 0.0150037700000000, -0.0156812700000000 ] - [ -0.0020204000000000, 0.0020204000000000, -0.0174669100000000 ] - [ 0.0020204000000000, 0.0020204000000000, -0.0174669100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0498105800000000 ] - [ 0.0005822800000000, 0.0000000000000000, -0.0254402500000000 ] - [ -0.0005822800000000, 0.0000000000000000, -0.0254402500000000 ] - [ 0.0000000000000000, 0.0005822800000000, -0.0254402500000000 ] - [ 0.0001367000000000, 0.0001367000000000, -0.0213168700000000 ] - [ -0.0001367000000000, 0.0001367000000000, -0.0213168700000000 ] - [ 0.0000000000000000, -0.0005822800000000, -0.0254402500000000 ] - [ 0.0001367000000000, -0.0001367000000000, -0.0213168700000000 ] - [ -0.0001367000000000, -0.0001367000000000, -0.0213168700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0241400300000000, 0.0000000000000000, -0.0011983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099180900000000 ] - [ 0.0241400300000000, 0.0000000000000000, -0.0011983000000000 ] - [ -0.0025655400000000, -0.0011941400000000, 0.0090095700000000 ] - [ 0.0000000000000000, -0.0003745700000000, 0.0088980100000000 ] - [ 0.0025655400000000, -0.0011941400000000, 0.0090095700000000 ] - [ -0.0025655400000000, 0.0011941400000000, 0.0090095700000000 ] - [ 0.0000000000000000, 0.0003745700000000, 0.0088980100000000 ] - [ 0.0025655400000000, 0.0011941400000000, 0.0090095700000000 ] - [ 0.0012168600000000, 0.0000000000000000, 0.0052480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068878500000000 ] - [ -0.0012168600000000, 0.0000000000000000, 0.0052480200000000 ] - [ 0.0002533400000000, 0.0000307300000000, 0.0073471500000000 ] - [ 0.0000000000000000, 0.0000141300000000, 0.0077933200000000 ] - [ -0.0002533400000000, 0.0000307300000000, 0.0073471500000000 ] - [ 0.0002533400000000, -0.0000307300000000, 0.0073471500000000 ] - [ 0.0000000000000000, -0.0000141300000000, 0.0077933200000000 ] - [ -0.0002533400000000, -0.0000307300000000, 0.0073471500000000 ] - [ 0.0327392500000000, 0.0000000000000000, 0.0026052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080855800000000 ] - [ -0.0327392500000000, 0.0000000000000000, 0.0026052300000000 ] - [ 0.0028678600000000, 0.0010538700000000, 0.0087033900000000 ] - [ 0.0000000000000000, 0.0004201700000000, 0.0083997300000000 ] - [ -0.0028678600000000, 0.0010538700000000, 0.0087033900000000 ] - [ 0.0028678600000000, -0.0010538700000000, 0.0087033900000000 ] - [ 0.0000000000000000, -0.0004201700000000, 0.0083997300000000 ] - [ -0.0028678600000000, -0.0010538700000000, 0.0087033900000000 ] - [ 0.0000000000000000, -0.0241400300000000, -0.0011983000000000 ] - [ -0.0011941400000000, -0.0025655400000000, 0.0090095700000000 ] - [ 0.0011941400000000, -0.0025655400000000, 0.0090095700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099180900000000 ] - [ -0.0003745700000000, 0.0000000000000000, 0.0088980100000000 ] - [ 0.0003745700000000, 0.0000000000000000, 0.0088980100000000 ] - [ 0.0000000000000000, 0.0241400300000000, -0.0011983000000000 ] - [ -0.0011941400000000, 0.0025655400000000, 0.0090095700000000 ] - [ 0.0011941400000000, 0.0025655400000000, 0.0090095700000000 ] - [ 0.0000000000000000, 0.0012168600000000, 0.0052480200000000 ] - [ 0.0000307300000000, 0.0002533400000000, 0.0073471500000000 ] - [ -0.0000307300000000, 0.0002533400000000, 0.0073471500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068878500000000 ] - [ 0.0000141300000000, 0.0000000000000000, 0.0077933200000000 ] - [ -0.0000141300000000, 0.0000000000000000, 0.0077933200000000 ] - [ 0.0000000000000000, -0.0012168600000000, 0.0052480200000000 ] - [ 0.0000307300000000, -0.0002533400000000, 0.0073471500000000 ] - [ -0.0000307300000000, -0.0002533400000000, 0.0073471500000000 ] - [ 0.0000000000000000, 0.0327392500000000, 0.0026052300000000 ] - [ 0.0010538700000000, 0.0028678600000000, 0.0087033900000000 ] - [ -0.0010538700000000, 0.0028678600000000, 0.0087033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080855800000000 ] - [ 0.0004201700000000, 0.0000000000000000, 0.0083997300000000 ] - [ -0.0004201700000000, 0.0000000000000000, 0.0083997300000000 ] - [ 0.0000000000000000, -0.0327392500000000, 0.0026052300000000 ] - [ 0.0010538700000000, -0.0028678600000000, 0.0087033900000000 ] - [ -0.0010538700000000, -0.0028678600000000, 0.0087033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2663982400000000 ] - [ 0.0003822800000000, 0.0000000000000000, 0.0109705600000000 ] - [ -0.0003822800000000, 0.0000000000000000, 0.0109705600000000 ] - [ 0.0000000000000000, 0.0003822800000000, 0.0109705600000000 ] - [ -0.0001794400000000, -0.0001794400000000, 0.0051794400000000 ] - [ 0.0001794400000000, -0.0001794400000000, 0.0051794400000000 ] - [ 0.0000000000000000, -0.0003822800000000, 0.0109705600000000 ] - [ -0.0001794400000000, 0.0001794400000000, 0.0051794400000000 ] - [ 0.0001794400000000, 0.0001794400000000, 0.0051794400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0397285400000000 ] - [ -0.0016735600000000, 0.0000000000000000, -0.0023471400000000 ] - [ 0.0016735600000000, 0.0000000000000000, -0.0023471400000000 ] - [ 0.0000000000000000, -0.0016735600000000, -0.0023471400000000 ] - [ -0.0002240700000000, -0.0002240700000000, 0.0006612700000000 ] - [ 0.0002240700000000, -0.0002240700000000, 0.0006612700000000 ] - [ 0.0000000000000000, 0.0016735600000000, -0.0023471400000000 ] - [ -0.0002240700000000, 0.0002240700000000, 0.0006612700000000 ] - [ 0.0002240700000000, 0.0002240700000000, 0.0006612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0402206300000000 ] - [ 0.0014008800000000, 0.0000000000000000, -0.0023348800000000 ] - [ -0.0014008800000000, 0.0000000000000000, -0.0023348800000000 ] - [ 0.0000000000000000, 0.0014008800000000, -0.0023348800000000 ] - [ 0.0002084100000000, 0.0002084100000000, 0.0006747700000000 ] - [ -0.0002084100000000, 0.0002084100000000, 0.0006747700000000 ] - [ 0.0000000000000000, -0.0014008800000000, -0.0023348800000000 ] - [ 0.0002084100000000, -0.0002084100000000, 0.0006747700000000 ] - [ -0.0002084100000000, -0.0002084100000000, 0.0006747700000000 ] - [ 0.0018487100000000, 0.0018487100000000, -0.0044892800000000 ] - [ 0.0000000000000000, -0.0001793700000000, -0.0013802500000000 ] - [ -0.0018487100000000, 0.0018487100000000, -0.0044892800000000 ] - [ -0.0001793700000000, 0.0000000000000000, -0.0013802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009749800000000 ] - [ 0.0001793700000000, 0.0000000000000000, -0.0013802500000000 ] - [ 0.0018487100000000, -0.0018487100000000, -0.0044892800000000 ] - [ 0.0000000000000000, 0.0001793700000000, -0.0013802500000000 ] - [ -0.0018487100000000, -0.0018487100000000, -0.0044892800000000 ] - [ 0.0010252000000000, 0.0010252000000000, 0.0013694900000000 ] - [ 0.0000000000000000, 0.0002810900000000, 0.0003647500000000 ] - [ -0.0010252000000000, 0.0010252000000000, 0.0013694900000000 ] - [ 0.0002810900000000, 0.0000000000000000, 0.0003647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001520100000000 ] - [ -0.0002810900000000, 0.0000000000000000, 0.0003647500000000 ] - [ 0.0010252000000000, -0.0010252000000000, 0.0013694900000000 ] - [ 0.0000000000000000, -0.0002810900000000, 0.0003647500000000 ] - [ -0.0010252000000000, -0.0010252000000000, 0.0013694900000000 ] - [ -0.0010604800000000, -0.0010604800000000, 0.0012809700000000 ] - [ 0.0000000000000000, -0.0002168400000000, 0.0002294700000000 ] - [ 0.0010604800000000, -0.0010604800000000, 0.0012809700000000 ] - [ -0.0002168400000000, 0.0000000000000000, 0.0002294700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000425400000000 ] - [ 0.0002168400000000, 0.0000000000000000, 0.0002294700000000 ] - [ -0.0010604800000000, 0.0010604800000000, 0.0012809700000000 ] - [ 0.0000000000000000, 0.0002168400000000, 0.0002294700000000 ] - [ 0.0010604800000000, 0.0010604800000000, 0.0012809700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1908119400000000 ] - [ -0.0166584000000000, 0.0000000000000000, -0.0228532500000000 ] - [ 0.0166584000000000, 0.0000000000000000, -0.0228532500000000 ] - [ 0.0000000000000000, -0.0166584000000000, -0.0228532500000000 ] - [ -0.0018703200000000, -0.0018703200000000, -0.0203941300000000 ] - [ 0.0018703200000000, -0.0018703200000000, -0.0203941300000000 ] - [ 0.0000000000000000, 0.0166584000000000, -0.0228532500000000 ] - [ -0.0018703200000000, 0.0018703200000000, -0.0203941300000000 ] - [ 0.0018703200000000, 0.0018703200000000, -0.0203941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0225152000000000 ] - [ 0.0148549800000000, 0.0000000000000000, -0.0214205000000000 ] - [ -0.0148549800000000, 0.0000000000000000, -0.0214205000000000 ] - [ 0.0000000000000000, 0.0148549800000000, -0.0214205000000000 ] - [ 0.0020082400000000, 0.0020082400000000, -0.0196480700000000 ] - [ -0.0020082400000000, 0.0020082400000000, -0.0196480700000000 ] - [ 0.0000000000000000, -0.0148549800000000, -0.0214205000000000 ] - [ 0.0020082400000000, -0.0020082400000000, -0.0196480700000000 ] - [ -0.0020082400000000, -0.0020082400000000, -0.0196480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124877100000000 ] - [ -0.0006244700000000, 0.0000000000000000, -0.0117816800000000 ] - [ 0.0006244700000000, 0.0000000000000000, -0.0117816800000000 ] - [ 0.0000000000000000, -0.0006244700000000, -0.0117816800000000 ] - [ -0.0001450800000000, -0.0001450800000000, -0.0158584500000000 ] - [ 0.0001450800000000, -0.0001450800000000, -0.0158584500000000 ] - [ 0.0000000000000000, 0.0006244700000000, -0.0117816800000000 ] - [ -0.0001450800000000, 0.0001450800000000, -0.0158584500000000 ] - [ 0.0001450800000000, 0.0001450800000000, -0.0158584500000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0046133900000000, 0.0000055100000000, 0.0083593800000000 ] - [ -0.0014382400000000, 0.0003192600000000, 0.0080341500000000 ] - [ -0.0014420100000000, -0.0003172700000000, 0.0086873700000000 ] - [ 0.0046133900000000, -0.0000055100000000, 0.0083593800000000 ] - [ -0.0014382400000000, -0.0003192600000000, 0.0080341500000000 ] - [ -0.0014420100000000, 0.0003172700000000, 0.0086873700000000 ] - [ 0.0008978400000000, 0.0000000000000000, 0.0083616400000000 ] - [ -0.0004385600000000, 0.0000000000000000, 0.0082996900000000 ] - [ -0.0004442900000000, 0.0000000000000000, 0.0084232300000000 ] - [ 0.0008751300000000, -0.0000004000000000, 0.0083623600000000 ] - [ -0.0004322700000000, 0.0000301800000000, 0.0083301800000000 ] - [ -0.0004336900000000, -0.0000307600000000, 0.0083941300000000 ] - [ 0.0008751300000000, 0.0000004000000000, 0.0083623600000000 ] - [ -0.0004322700000000, -0.0000301800000000, 0.0083301800000000 ] - [ -0.0004336900000000, 0.0000307600000000, 0.0083941300000000 ] - [ 0.0005398100000000, 0.0000000000000000, 0.0083626900000000 ] - [ -0.0002702300000000, 0.0000000000000000, 0.0083503100000000 ] - [ -0.0002684500000000, 0.0000000000000000, 0.0083756400000000 ] - [ 0.0056946200000000, 0.0000000500000000, 0.0083647400000000 ] - [ -0.0021454200000000, 0.0003075100000000, 0.0086382200000000 ] - [ -0.0021467900000000, -0.0003059500000000, 0.0080885800000000 ] - [ 0.0056946200000000, -0.0000000500000000, 0.0083647400000000 ] - [ -0.0021454200000000, -0.0003075100000000, 0.0086382200000000 ] - [ -0.0021467900000000, 0.0003059500000000, 0.0080885800000000 ] - [ 0.0012119700000000, 0.0000000000000000, 0.0083630400000000 ] - [ -0.0005974800000000, 0.0000000000000000, 0.0083766800000000 ] - [ -0.0005960500000000, 0.0000000000000000, 0.0083484700000000 ] - [ 0.0024409800000000, 0.0000000000000000, 0.0078421500000000 ] - [ 0.0025806200000000, 0.0000000000000000, 0.0090224100000000 ] - [ -0.0005750000000000, 0.0000000000000000, 0.0083603600000000 ] - [ 0.0001950100000000, 0.0009739500000000, 0.0085738200000000 ] - [ 0.0001971100000000, -0.0009727700000000, 0.0081504100000000 ] - [ -0.0003151900000000, 0.0000018700000000, 0.0083617100000000 ] - [ 0.0001950100000000, -0.0009739500000000, 0.0085738200000000 ] - [ 0.0001971100000000, 0.0009727700000000, 0.0081504100000000 ] - [ -0.0003151900000000, -0.0000018700000000, 0.0083617100000000 ] - [ 0.0001018300000000, 0.0000000000000000, 0.0084239600000000 ] - [ 0.0001025700000000, 0.0000000000000000, 0.0082997800000000 ] - [ -0.0001984400000000, 0.0000000000000000, 0.0083618400000000 ] - [ 0.0000628900000000, 0.0002186500000000, 0.0083992500000000 ] - [ 0.0000638600000000, -0.0002184200000000, 0.0083261300000000 ] - [ -0.0001289800000000, -0.0000013100000000, 0.0083626500000000 ] - [ 0.0000628900000000, -0.0002186500000000, 0.0083992500000000 ] - [ 0.0000638600000000, 0.0002184200000000, 0.0083261300000000 ] - [ -0.0001289800000000, 0.0000013100000000, 0.0083626500000000 ] - [ 0.0003584100000000, 0.0000000000000000, 0.0072663700000000 ] - [ 0.0004246600000000, 0.0000000000000000, 0.0094073200000000 ] - [ -0.0006323600000000, 0.0000000000000000, 0.0083643400000000 ] - [ 0.0002033400000000, 0.0015914200000000, 0.0079550800000000 ] - [ 0.0002046600000000, -0.0015933200000000, 0.0087704300000000 ] - [ -0.0003699600000000, -0.0000018600000000, 0.0083626000000000 ] - [ 0.0002033400000000, -0.0015914200000000, 0.0079550800000000 ] - [ 0.0002046600000000, 0.0015933200000000, 0.0087704300000000 ] - [ -0.0003699600000000, 0.0000018600000000, 0.0083626000000000 ] - [ 0.0018038100000000, 0.0002625800000000, 0.0002883900000000 ] - [ 0.0019183100000000, -0.0003746600000000, 0.0039225800000000 ] - [ -0.0005802600000000, 0.0000015400000000, 0.0021111000000000 ] - [ 0.0018038100000000, -0.0002625800000000, 0.0002883900000000 ] - [ 0.0019183100000000, 0.0003746600000000, 0.0039225800000000 ] - [ -0.0005802600000000, -0.0000015400000000, 0.0021111000000000 ] - [ 0.0001104500000000, 0.0000000000000000, 0.0022893500000000 ] - [ 0.0001106500000000, 0.0000000000000000, 0.0019312000000000 ] - [ -0.0002102200000000, 0.0000000000000000, 0.0021128400000000 ] - [ 0.0001590400000000, -0.0003780200000000, 0.0031704300000000 ] - [ 0.0001604800000000, 0.0003774900000000, 0.0010514800000000 ] - [ -0.0002857900000000, 0.0000005100000000, 0.0021121300000000 ] - [ 0.0001590400000000, 0.0003780200000000, 0.0031704300000000 ] - [ 0.0001604800000000, -0.0003774900000000, 0.0010514800000000 ] - [ -0.0002857900000000, -0.0000005100000000, 0.0021121300000000 ] - [ 0.0000604300000000, 0.0000000000000000, 0.0023291500000000 ] - [ 0.0000611800000000, 0.0000000000000000, 0.0018950200000000 ] - [ -0.0001235200000000, 0.0000000000000000, 0.0021090000000000 ] - [ 0.0001848700000000, -0.0002657500000000, 0.0010787000000000 ] - [ 0.0001859800000000, 0.0002654400000000, 0.0031457500000000 ] - [ -0.0002974000000000, -0.0000006200000000, 0.0021124000000000 ] - [ 0.0001848700000000, 0.0002657500000000, 0.0010787000000000 ] - [ 0.0001859800000000, -0.0002654400000000, 0.0031457500000000 ] - [ -0.0002974000000000, 0.0000006200000000, 0.0021124000000000 ] - [ 0.0000614500000000, 0.0000000000000000, 0.0018275500000000 ] - [ 0.0000627900000000, 0.0000000000000000, 0.0023953900000000 ] - [ -0.0001279500000000, 0.0000000000000000, 0.0021123000000000 ] - [ -0.0424636300000000, 0.0000000000000000, -0.0003052100000000 ] - [ 0.0026196400000000, 0.0000000000000000, -0.0001825500000000 ] - [ 0.0025840300000000, 0.0000000000000000, -0.0003413700000000 ] - [ -0.0007327200000000, -0.0000040100000000, -0.0002621300000000 ] - [ 0.0003038700000000, 0.0002215000000000, -0.0002162700000000 ] - [ 0.0003037200000000, -0.0002205400000000, -0.0003082100000000 ] - [ -0.0007327200000000, 0.0000040100000000, -0.0002621300000000 ] - [ 0.0003038700000000, -0.0002215000000000, -0.0002162700000000 ] - [ 0.0003037200000000, 0.0002205400000000, -0.0003082100000000 ] - [ -0.0006588600000000, 0.0000000000000000, -0.0002658000000000 ] - [ 0.0002830900000000, 0.0000000000000000, -0.0000702500000000 ] - [ 0.0002832300000000, 0.0000000000000000, -0.0004544200000000 ] - [ -0.0002458700000000, -0.0000005800000000, -0.0002628100000000 ] - [ 0.0001172900000000, 0.0000509500000000, -0.0002204500000000 ] - [ 0.0001175200000000, -0.0000510700000000, -0.0003044400000000 ] - [ -0.0002458700000000, 0.0000005800000000, -0.0002628100000000 ] - [ 0.0001172900000000, -0.0000509500000000, -0.0002204500000000 ] - [ 0.0001175200000000, 0.0000510700000000, -0.0003044400000000 ] - [ -0.0006587900000000, 0.0000000000000000, -0.0002585900000000 ] - [ 0.0002832500000000, 0.0000000000000000, -0.0005159600000000 ] - [ 0.0002830200000000, 0.0000000000000000, -0.0000095800000000 ] - [ -0.0002458400000000, -0.0000002500000000, -0.0002620200000000 ] - [ 0.0001173300000000, 0.0000508400000000, -0.0003390500000000 ] - [ 0.0001174400000000, -0.0000507100000000, -0.0001857800000000 ] - [ -0.0002458400000000, 0.0000002500000000, -0.0002620200000000 ] - [ 0.0001173300000000, -0.0000508400000000, -0.0003390500000000 ] - [ 0.0001174400000000, 0.0000507100000000, -0.0001857800000000 ] - [ 0.0013751000000000, 0.0079467100000000, -0.0097525300000000 ] - [ 0.0013728800000000, -0.0080044600000000, -0.0274491400000000 ] - [ 0.0031513500000000, -0.0000025400000000, -0.0185763900000000 ] - [ 0.0013751000000000, -0.0079467100000000, -0.0097525300000000 ] - [ 0.0013728800000000, 0.0080044600000000, -0.0274491400000000 ] - [ 0.0031513500000000, 0.0000025400000000, -0.0185763900000000 ] - [ -0.0005024800000000, 0.0000000000000000, -0.0184827900000000 ] - [ -0.0005030300000000, 0.0000000000000000, -0.0186641500000000 ] - [ 0.0009934600000000, 0.0000000000000000, -0.0185740300000000 ] - [ 0.0008845200000000, 0.0071406600000000, -0.0246823900000000 ] - [ 0.0008694000000000, -0.0071810800000000, -0.0124210900000000 ] - [ 0.0024033700000000, -0.0000014400000000, -0.0185721200000000 ] - [ 0.0008845200000000, -0.0071406600000000, -0.0246823900000000 ] - [ 0.0008694000000000, 0.0071810800000000, -0.0124210900000000 ] - [ 0.0024033700000000, 0.0000014400000000, -0.0185721200000000 ] - [ -0.0003990200000000, 0.0000000000000000, -0.0188090700000000 ] - [ -0.0004017800000000, 0.0000000000000000, -0.0183395800000000 ] - [ 0.0007921500000000, 0.0000000000000000, -0.0185740800000000 ] - [ -0.0003921200000000, 0.0001770100000000, -0.0185062400000000 ] - [ -0.0003928900000000, -0.0001767200000000, -0.0186413000000000 ] - [ 0.0007795400000000, -0.0000005500000000, -0.0185739400000000 ] - [ -0.0003921200000000, -0.0001770100000000, -0.0185062400000000 ] - [ -0.0003928900000000, 0.0001767200000000, -0.0186413000000000 ] - [ 0.0007795400000000, 0.0000005500000000, -0.0185739400000000 ] - [ -0.0002462100000000, 0.0000000000000000, -0.0185194800000000 ] - [ -0.0002459400000000, 0.0000000000000000, -0.0186283600000000 ] - [ 0.0004940700000000, 0.0000000000000000, -0.0185721400000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0007457600000000, 0.0107137300000000 ] - [ -0.0014909800000000, 0.0003746800000000, 0.0088275600000000 ] - [ 0.0014909800000000, 0.0003746800000000, 0.0088275600000000 ] - [ 0.0000000000000000, 0.0007457600000000, 0.0107137300000000 ] - [ -0.0014909800000000, -0.0003746800000000, 0.0088275600000000 ] - [ 0.0014909800000000, -0.0003746800000000, 0.0088275600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085829900000000 ] - [ -0.0003503800000000, 0.0000000000000000, 0.0085391500000000 ] - [ 0.0003503800000000, 0.0000000000000000, 0.0085391500000000 ] - [ 0.0000000000000000, 0.0000289200000000, 0.0077754400000000 ] - [ 0.0000097000000000, 0.0000053300000000, 0.0080233800000000 ] - [ -0.0000097000000000, 0.0000053300000000, 0.0080233800000000 ] - [ 0.0000000000000000, -0.0000289200000000, 0.0077754400000000 ] - [ 0.0000097000000000, -0.0000053300000000, 0.0080233800000000 ] - [ -0.0000097000000000, -0.0000053300000000, 0.0080233800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081075200000000 ] - [ 0.0000034300000000, 0.0000000000000000, 0.0081871100000000 ] - [ -0.0000034300000000, 0.0000000000000000, 0.0081871100000000 ] - [ 0.0000000000000000, -0.0011742000000000, 0.0086863500000000 ] - [ 0.0014212600000000, -0.0003714100000000, 0.0082870600000000 ] - [ -0.0014212600000000, -0.0003714100000000, 0.0082870600000000 ] - [ 0.0000000000000000, 0.0011742000000000, 0.0086863500000000 ] - [ 0.0014212600000000, 0.0003714100000000, 0.0082870600000000 ] - [ -0.0014212600000000, 0.0003714100000000, 0.0082870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084027100000000 ] - [ 0.0003358500000000, 0.0000000000000000, 0.0083579700000000 ] - [ -0.0003358500000000, 0.0000000000000000, 0.0083579700000000 ] - [ -0.0007457600000000, 0.0000000000000000, 0.0107137300000000 ] - [ 0.0007457600000000, 0.0000000000000000, 0.0107137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085829900000000 ] - [ 0.0003746800000000, -0.0014909800000000, 0.0088275600000000 ] - [ -0.0003746800000000, -0.0014909800000000, 0.0088275600000000 ] - [ 0.0000000000000000, -0.0003503800000000, 0.0085391500000000 ] - [ 0.0003746800000000, 0.0014909800000000, 0.0088275600000000 ] - [ -0.0003746800000000, 0.0014909800000000, 0.0088275600000000 ] - [ 0.0000000000000000, 0.0003503800000000, 0.0085391500000000 ] - [ 0.0000289200000000, 0.0000000000000000, 0.0077754400000000 ] - [ -0.0000289200000000, 0.0000000000000000, 0.0077754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081075200000000 ] - [ 0.0000053300000000, 0.0000097000000000, 0.0080233800000000 ] - [ -0.0000053300000000, 0.0000097000000000, 0.0080233800000000 ] - [ 0.0000000000000000, 0.0000034300000000, 0.0081871100000000 ] - [ 0.0000053300000000, -0.0000097000000000, 0.0080233800000000 ] - [ -0.0000053300000000, -0.0000097000000000, 0.0080233800000000 ] - [ 0.0000000000000000, -0.0000034300000000, 0.0081871100000000 ] - [ -0.0011742000000000, 0.0000000000000000, 0.0086863500000000 ] - [ 0.0011742000000000, 0.0000000000000000, 0.0086863500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084027100000000 ] - [ -0.0003714100000000, 0.0014212600000000, 0.0082870600000000 ] - [ 0.0003714100000000, 0.0014212600000000, 0.0082870600000000 ] - [ 0.0000000000000000, 0.0003358500000000, 0.0083579700000000 ] - [ -0.0003714100000000, -0.0014212600000000, 0.0082870600000000 ] - [ 0.0003714100000000, -0.0014212600000000, 0.0082870600000000 ] - [ 0.0000000000000000, -0.0003358500000000, 0.0083579700000000 ] - [ -0.0002147000000000, -0.0002147000000000, 0.0063587900000000 ] - [ 0.0002147000000000, -0.0002147000000000, 0.0063587900000000 ] - [ 0.0000000000000000, -0.0000048600000000, 0.0032340800000000 ] - [ -0.0002147000000000, 0.0002147000000000, 0.0063587900000000 ] - [ 0.0002147000000000, 0.0002147000000000, 0.0063587900000000 ] - [ 0.0000000000000000, 0.0000048600000000, 0.0032340800000000 ] - [ -0.0000048600000000, 0.0000000000000000, 0.0032340800000000 ] - [ 0.0000048600000000, 0.0000000000000000, 0.0032340800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028226400000000 ] - [ 0.0003642900000000, 0.0003642900000000, 0.0005545700000000 ] - [ -0.0003642900000000, 0.0003642900000000, 0.0005545700000000 ] - [ 0.0000000000000000, 0.0000385500000000, 0.0016125300000000 ] - [ 0.0003642900000000, -0.0003642900000000, 0.0005545700000000 ] - [ -0.0003642900000000, -0.0003642900000000, 0.0005545700000000 ] - [ 0.0000000000000000, -0.0000385500000000, 0.0016125300000000 ] - [ 0.0000385500000000, 0.0000000000000000, 0.0016125300000000 ] - [ -0.0000385500000000, 0.0000000000000000, 0.0016125300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018049200000000 ] - [ -0.0002248600000000, -0.0002248600000000, 0.0004721200000000 ] - [ 0.0002248600000000, -0.0002248600000000, 0.0004721200000000 ] - [ 0.0000000000000000, -0.0000334400000000, 0.0014791500000000 ] - [ -0.0002248600000000, 0.0002248600000000, 0.0004721200000000 ] - [ 0.0002248600000000, 0.0002248600000000, 0.0004721200000000 ] - [ 0.0000000000000000, 0.0000334400000000, 0.0014791500000000 ] - [ -0.0000334400000000, 0.0000000000000000, 0.0014791500000000 ] - [ 0.0000334400000000, 0.0000000000000000, 0.0014791500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0408738500000000 ] - [ -0.0000838000000000, 0.0000000000000000, -0.0010979000000000 ] - [ 0.0000838000000000, 0.0000000000000000, -0.0010979000000000 ] - [ 0.0000000000000000, -0.0000838000000000, -0.0010979000000000 ] - [ -0.0000460000000000, -0.0000460000000000, -0.0006260300000000 ] - [ 0.0000460000000000, -0.0000460000000000, -0.0006260300000000 ] - [ 0.0000000000000000, 0.0000838000000000, -0.0010979000000000 ] - [ -0.0000460000000000, 0.0000460000000000, -0.0006260300000000 ] - [ 0.0000460000000000, 0.0000460000000000, -0.0006260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020589400000000 ] - [ 0.0002539400000000, 0.0000000000000000, 0.0000863900000000 ] - [ -0.0002539400000000, 0.0000000000000000, 0.0000863900000000 ] - [ 0.0000000000000000, 0.0002539400000000, 0.0000863900000000 ] - [ 0.0000766100000000, 0.0000766100000000, -0.0000886200000000 ] - [ -0.0000766100000000, 0.0000766100000000, -0.0000886200000000 ] - [ 0.0000000000000000, -0.0002539400000000, 0.0000863900000000 ] - [ 0.0000766100000000, -0.0000766100000000, -0.0000886200000000 ] - [ -0.0000766100000000, -0.0000766100000000, -0.0000886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020303500000000 ] - [ -0.0001916400000000, 0.0000000000000000, 0.0000864900000000 ] - [ 0.0001916400000000, 0.0000000000000000, 0.0000864900000000 ] - [ 0.0000000000000000, -0.0001916400000000, 0.0000864900000000 ] - [ -0.0000423000000000, -0.0000423000000000, -0.0000885700000000 ] - [ 0.0000423000000000, -0.0000423000000000, -0.0000885700000000 ] - [ 0.0000000000000000, 0.0001916400000000, 0.0000864900000000 ] - [ -0.0000423000000000, 0.0000423000000000, -0.0000885700000000 ] - [ 0.0000423000000000, 0.0000423000000000, -0.0000885700000000 ] - [ 0.0080370000000000, 0.0080370000000000, -0.0166031400000000 ] - [ -0.0080370000000000, 0.0080370000000000, -0.0166031400000000 ] - [ 0.0000000000000000, 0.0002391300000000, -0.0189969800000000 ] - [ 0.0080370000000000, -0.0080370000000000, -0.0166031400000000 ] - [ -0.0080370000000000, -0.0080370000000000, -0.0166031400000000 ] - [ 0.0000000000000000, -0.0002391300000000, -0.0189969800000000 ] - [ 0.0002391300000000, 0.0000000000000000, -0.0189969800000000 ] - [ -0.0002391300000000, 0.0000000000000000, -0.0189969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0188554600000000 ] - [ -0.0074838700000000, -0.0074838700000000, -0.0171178500000000 ] - [ 0.0074838700000000, -0.0074838700000000, -0.0171178500000000 ] - [ 0.0000000000000000, -0.0002389700000000, -0.0191295900000000 ] - [ -0.0074838700000000, 0.0074838700000000, -0.0171178500000000 ] - [ 0.0074838700000000, 0.0074838700000000, -0.0171178500000000 ] - [ 0.0000000000000000, 0.0002389700000000, -0.0191295900000000 ] - [ -0.0002389700000000, 0.0000000000000000, -0.0191295900000000 ] - [ 0.0002389700000000, 0.0000000000000000, -0.0191295900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0189352400000000 ] - [ -0.0000257600000000, -0.0000257600000000, -0.0160903900000000 ] - [ 0.0000257600000000, -0.0000257600000000, -0.0160903900000000 ] - [ 0.0000000000000000, -0.0000037600000000, -0.0175856400000000 ] - [ -0.0000257600000000, 0.0000257600000000, -0.0160903900000000 ] - [ 0.0000257600000000, 0.0000257600000000, -0.0160903900000000 ] - [ 0.0000000000000000, 0.0000037600000000, -0.0175856400000000 ] - [ -0.0000037600000000, 0.0000000000000000, -0.0175856400000000 ] - [ 0.0000037600000000, 0.0000000000000000, -0.0175856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0179084200000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0006221200000000, 0.0061359100000000 ] - [ 0.0014919300000000, -0.0003745400000000, 0.0078976100000000 ] - [ -0.0014919300000000, -0.0003745400000000, 0.0078976100000000 ] - [ 0.0000000000000000, -0.0006221200000000, 0.0061359100000000 ] - [ 0.0014919300000000, 0.0003745400000000, 0.0078976100000000 ] - [ -0.0014919300000000, 0.0003745400000000, 0.0078976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081399500000000 ] - [ 0.0003452400000000, 0.0000000000000000, 0.0081860500000000 ] - [ -0.0003452400000000, 0.0000000000000000, 0.0081860500000000 ] - [ 0.0000000000000000, -0.0000272000000000, 0.0089480300000000 ] - [ -0.0000105600000000, -0.0000062700000000, 0.0086998100000000 ] - [ 0.0000105600000000, -0.0000062700000000, 0.0086998100000000 ] - [ 0.0000000000000000, 0.0000272000000000, 0.0089480300000000 ] - [ -0.0000105600000000, 0.0000062700000000, 0.0086998100000000 ] - [ 0.0000105600000000, 0.0000062700000000, 0.0086998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086161100000000 ] - [ -0.0000025400000000, 0.0000000000000000, 0.0085358300000000 ] - [ 0.0000025400000000, 0.0000000000000000, 0.0085358300000000 ] - [ 0.0000000000000000, 0.0011085500000000, 0.0079545600000000 ] - [ -0.0014225600000000, 0.0003719800000000, 0.0084347200000000 ] - [ 0.0014225600000000, 0.0003719800000000, 0.0084347200000000 ] - [ 0.0000000000000000, -0.0011085500000000, 0.0079545600000000 ] - [ -0.0014225600000000, -0.0003719800000000, 0.0084347200000000 ] - [ 0.0014225600000000, -0.0003719800000000, 0.0084347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083198500000000 ] - [ -0.0003278600000000, 0.0000000000000000, 0.0083653200000000 ] - [ 0.0003278600000000, 0.0000000000000000, 0.0083653200000000 ] - [ 0.0006221200000000, 0.0000000000000000, 0.0061359100000000 ] - [ -0.0006221200000000, 0.0000000000000000, 0.0061359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081399500000000 ] - [ -0.0003745400000000, 0.0014919300000000, 0.0078976100000000 ] - [ 0.0003745400000000, 0.0014919300000000, 0.0078976100000000 ] - [ 0.0000000000000000, 0.0003452400000000, 0.0081860500000000 ] - [ -0.0003745400000000, -0.0014919300000000, 0.0078976100000000 ] - [ 0.0003745400000000, -0.0014919300000000, 0.0078976100000000 ] - [ 0.0000000000000000, -0.0003452400000000, 0.0081860500000000 ] - [ -0.0000272000000000, 0.0000000000000000, 0.0089480300000000 ] - [ 0.0000272000000000, 0.0000000000000000, 0.0089480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086161100000000 ] - [ -0.0000062700000000, -0.0000105600000000, 0.0086998100000000 ] - [ 0.0000062700000000, -0.0000105600000000, 0.0086998100000000 ] - [ 0.0000000000000000, -0.0000025400000000, 0.0085358300000000 ] - [ -0.0000062700000000, 0.0000105600000000, 0.0086998100000000 ] - [ 0.0000062700000000, 0.0000105600000000, 0.0086998100000000 ] - [ 0.0000000000000000, 0.0000025400000000, 0.0085358300000000 ] - [ 0.0011085500000000, 0.0000000000000000, 0.0079545600000000 ] - [ -0.0011085500000000, 0.0000000000000000, 0.0079545600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083198500000000 ] - [ 0.0003719800000000, -0.0014225600000000, 0.0084347200000000 ] - [ -0.0003719800000000, -0.0014225600000000, 0.0084347200000000 ] - [ 0.0000000000000000, -0.0003278600000000, 0.0083653200000000 ] - [ 0.0003719800000000, 0.0014225600000000, 0.0084347200000000 ] - [ -0.0003719800000000, 0.0014225600000000, 0.0084347200000000 ] - [ 0.0000000000000000, 0.0003278600000000, 0.0083653200000000 ] - [ 0.0002233800000000, 0.0002233800000000, -0.0021505000000000 ] - [ -0.0002233800000000, 0.0002233800000000, -0.0021505000000000 ] - [ 0.0000000000000000, 0.0000045500000000, 0.0009883300000000 ] - [ 0.0002233800000000, -0.0002233800000000, -0.0021505000000000 ] - [ -0.0002233800000000, -0.0002233800000000, -0.0021505000000000 ] - [ 0.0000000000000000, -0.0000045500000000, 0.0009883300000000 ] - [ 0.0000045500000000, 0.0000000000000000, 0.0009883300000000 ] - [ -0.0000045500000000, 0.0000000000000000, 0.0009883300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013925500000000 ] - [ -0.0003621000000000, -0.0003621000000000, 0.0036630800000000 ] - [ 0.0003621000000000, -0.0003621000000000, 0.0036630800000000 ] - [ 0.0000000000000000, -0.0000400600000000, 0.0026078400000000 ] - [ -0.0003621000000000, 0.0003621000000000, 0.0036630800000000 ] - [ 0.0003621000000000, 0.0003621000000000, 0.0036630800000000 ] - [ 0.0000000000000000, 0.0000400600000000, 0.0026078400000000 ] - [ -0.0000400600000000, 0.0000000000000000, 0.0026078400000000 ] - [ 0.0000400600000000, 0.0000000000000000, 0.0026078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024207600000000 ] - [ 0.0002259700000000, 0.0002259700000000, 0.0037413600000000 ] - [ -0.0002259700000000, 0.0002259700000000, 0.0037413600000000 ] - [ 0.0000000000000000, 0.0000332900000000, 0.0027371400000000 ] - [ 0.0002259700000000, -0.0002259700000000, 0.0037413600000000 ] - [ -0.0002259700000000, -0.0002259700000000, 0.0037413600000000 ] - [ 0.0000000000000000, -0.0000332900000000, 0.0027371400000000 ] - [ 0.0000332900000000, 0.0000000000000000, 0.0027371400000000 ] - [ -0.0000332900000000, 0.0000000000000000, 0.0027371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0401604300000000 ] - [ 0.0000751700000000, 0.0000000000000000, 0.0005729400000000 ] - [ -0.0000751700000000, 0.0000000000000000, 0.0005729400000000 ] - [ 0.0000000000000000, 0.0000751700000000, 0.0005729400000000 ] - [ 0.0000456200000000, 0.0000456200000000, 0.0001006400000000 ] - [ -0.0000456200000000, 0.0000456200000000, 0.0001006400000000 ] - [ 0.0000000000000000, -0.0000751700000000, 0.0005729400000000 ] - [ 0.0000456200000000, -0.0000456200000000, 0.0001006400000000 ] - [ -0.0000456200000000, -0.0000456200000000, 0.0001006400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025551200000000 ] - [ -0.0002525300000000, 0.0000000000000000, -0.0006114000000000 ] - [ 0.0002525300000000, 0.0000000000000000, -0.0006114000000000 ] - [ 0.0000000000000000, -0.0002525300000000, -0.0006114000000000 ] - [ -0.0000765700000000, -0.0000765700000000, -0.0004358000000000 ] - [ 0.0000765700000000, -0.0000765700000000, -0.0004358000000000 ] - [ 0.0000000000000000, 0.0002525300000000, -0.0006114000000000 ] - [ -0.0000765700000000, 0.0000765700000000, -0.0004358000000000 ] - [ 0.0000765700000000, 0.0000765700000000, -0.0004358000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025830400000000 ] - [ 0.0001925600000000, 0.0000000000000000, -0.0006111100000000 ] - [ -0.0001925600000000, 0.0000000000000000, -0.0006111100000000 ] - [ 0.0000000000000000, 0.0001925600000000, -0.0006111100000000 ] - [ 0.0000418900000000, 0.0000418900000000, -0.0004359900000000 ] - [ -0.0000418900000000, 0.0000418900000000, -0.0004359900000000 ] - [ 0.0000000000000000, -0.0001925600000000, -0.0006111100000000 ] - [ 0.0000418900000000, -0.0000418900000000, -0.0004359900000000 ] - [ -0.0000418900000000, -0.0000418900000000, -0.0004359900000000 ] - [ -0.0080932000000000, -0.0080932000000000, -0.0205249900000000 ] - [ 0.0080932000000000, -0.0080932000000000, -0.0205249900000000 ] - [ 0.0000000000000000, -0.0002353700000000, -0.0181432600000000 ] - [ -0.0080932000000000, 0.0080932000000000, -0.0205249900000000 ] - [ 0.0080932000000000, 0.0080932000000000, -0.0205249900000000 ] - [ 0.0000000000000000, 0.0002353700000000, -0.0181432600000000 ] - [ -0.0002353700000000, 0.0000000000000000, -0.0181432600000000 ] - [ 0.0002353700000000, 0.0000000000000000, -0.0181432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0182864300000000 ] - [ 0.0074362100000000, 0.0074362100000000, -0.0200184500000000 ] - [ -0.0074362100000000, 0.0074362100000000, -0.0200184500000000 ] - [ 0.0000000000000000, 0.0002362800000000, -0.0180143800000000 ] - [ 0.0074362100000000, -0.0074362100000000, -0.0200184500000000 ] - [ -0.0074362100000000, -0.0074362100000000, -0.0200184500000000 ] - [ 0.0000000000000000, -0.0002362800000000, -0.0180143800000000 ] - [ 0.0002362800000000, 0.0000000000000000, -0.0180143800000000 ] - [ -0.0002362800000000, 0.0000000000000000, -0.0180143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0182053200000000 ] - [ 0.0000245400000000, 0.0000245400000000, -0.0210485900000000 ] - [ -0.0000245400000000, 0.0000245400000000, -0.0210485900000000 ] - [ 0.0000000000000000, 0.0000005000000000, -0.0195537300000000 ] - [ 0.0000245400000000, -0.0000245400000000, -0.0210485900000000 ] - [ -0.0000245400000000, -0.0000245400000000, -0.0210485900000000 ] - [ 0.0000000000000000, -0.0000005000000000, -0.0195537300000000 ] - [ 0.0000005000000000, 0.0000000000000000, -0.0195537300000000 ] - [ -0.0000005000000000, 0.0000000000000000, -0.0195537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0192303900000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0035210700000000, 0.0000000000000000, 0.0060814600000000 ] - [ -0.0078099900000000, 0.0000000000000000, 0.0083672000000000 ] - [ 0.0034732600000000, 0.0000000000000000, 0.0106935000000000 ] - [ 0.0014033400000000, -0.0005529200000000, 0.0076488400000000 ] - [ -0.0027939100000000, 0.0000001800000000, 0.0083640300000000 ] - [ 0.0014024000000000, 0.0005507000000000, 0.0090755900000000 ] - [ 0.0014033400000000, 0.0005529200000000, 0.0076488400000000 ] - [ -0.0027939100000000, -0.0000001800000000, 0.0083640300000000 ] - [ 0.0014024000000000, -0.0005507000000000, 0.0090755900000000 ] - [ 0.0040303100000000, 0.0000000000000000, 0.0092308800000000 ] - [ -0.0085442100000000, 0.0000000000000000, 0.0083743500000000 ] - [ 0.0040450700000000, 0.0000000000000000, 0.0075083200000000 ] - [ 0.0014939400000000, -0.0004606600000000, 0.0087449600000000 ] - [ -0.0029770600000000, -0.0000006100000000, 0.0083634600000000 ] - [ 0.0014996500000000, 0.0004532900000000, 0.0079860500000000 ] - [ 0.0014939400000000, 0.0004606600000000, 0.0087449600000000 ] - [ -0.0029770600000000, 0.0000006100000000, 0.0083634600000000 ] - [ 0.0014996500000000, -0.0004532900000000, 0.0079860500000000 ] - [ 0.0217626300000000, 0.0000000000000000, 0.0005665000000000 ] - [ -0.0482767100000000, 0.0000000000000000, 0.0083554100000000 ] - [ 0.0150975500000000, 0.0000000000000000, 0.0156269800000000 ] - [ 0.0049730200000000, -0.0016765200000000, 0.0081936100000000 ] - [ -0.0113368800000000, -0.0000050700000000, 0.0083600500000000 ] - [ 0.0049306100000000, 0.0017095600000000, 0.0085254300000000 ] - [ 0.0049730200000000, 0.0016765200000000, 0.0081936100000000 ] - [ -0.0113368800000000, 0.0000050700000000, 0.0083600500000000 ] - [ 0.0049306100000000, -0.0017095600000000, 0.0085254300000000 ] - [ 0.0016449300000000, 0.0000146200000000, 0.0083711000000000 ] - [ -0.0007973500000000, -0.0016449000000000, 0.0069229000000000 ] - [ -0.0007974800000000, 0.0016578500000000, 0.0098014200000000 ] - [ 0.0006239400000000, 0.0000000000000000, 0.0083644200000000 ] - [ -0.0003121700000000, 0.0000000000000000, 0.0080023400000000 ] - [ -0.0003127800000000, 0.0000000000000000, 0.0087257900000000 ] - [ 0.0016449300000000, -0.0000146200000000, 0.0083711000000000 ] - [ -0.0007973500000000, 0.0016449000000000, 0.0069229000000000 ] - [ -0.0007974800000000, -0.0016578500000000, 0.0098014200000000 ] - [ 0.0013986400000000, -0.0000122100000000, 0.0083674700000000 ] - [ -0.0006843700000000, -0.0018817600000000, 0.0091360800000000 ] - [ -0.0006806300000000, 0.0018643700000000, 0.0075977800000000 ] - [ 0.0005780600000000, 0.0000000000000000, 0.0083643200000000 ] - [ -0.0002885100000000, 0.0000000000000000, 0.0085992000000000 ] - [ -0.0002887500000000, 0.0000000000000000, 0.0081278200000000 ] - [ 0.0013986400000000, 0.0000122100000000, 0.0083674700000000 ] - [ -0.0006843700000000, 0.0018817600000000, 0.0091360800000000 ] - [ -0.0006806300000000, -0.0018643700000000, 0.0075977800000000 ] - [ 0.0155494900000000, -0.0004108400000000, 0.0083873300000000 ] - [ -0.0099541900000000, -0.0214654200000000, 0.0089768400000000 ] - [ -0.0098825100000000, 0.0214759300000000, 0.0077399000000000 ] - [ 0.0016611300000000, 0.0000000000000000, 0.0083755800000000 ] - [ -0.0013879500000000, 0.0000000000000000, 0.0090329900000000 ] - [ -0.0014044000000000, 0.0000000000000000, 0.0076896000000000 ] - [ 0.0155494900000000, 0.0004108400000000, 0.0083873300000000 ] - [ -0.0099541900000000, 0.0214654200000000, 0.0089768400000000 ] - [ -0.0098825100000000, -0.0214759300000000, 0.0077399000000000 ] - [ 0.0227042000000000, 0.0000000000000000, 0.0015880200000000 ] - [ -0.0099442600000000, 0.0000000000000000, -0.0145503300000000 ] - [ -0.0098843800000000, 0.0000000000000000, 0.0188730900000000 ] - [ 0.0016085800000000, 0.0000054500000000, 0.0021205000000000 ] - [ -0.0007862600000000, -0.0012459700000000, 0.0002340400000000 ] - [ -0.0007856700000000, 0.0012400100000000, 0.0039955700000000 ] - [ 0.0016085800000000, -0.0000054500000000, 0.0021205000000000 ] - [ -0.0007862600000000, 0.0012459700000000, 0.0002340400000000 ] - [ -0.0007856700000000, -0.0012400100000000, 0.0039955700000000 ] - [ 0.0014860100000000, 0.0000000000000000, 0.0021492500000000 ] - [ -0.0008515600000000, 0.0000000000000000, 0.0015269400000000 ] - [ -0.0008596400000000, 0.0000000000000000, 0.0027375600000000 ] - [ 0.0005377000000000, -0.0000004100000000, 0.0021189300000000 ] - [ -0.0002677800000000, -0.0002645300000000, 0.0019763400000000 ] - [ -0.0002682000000000, 0.0002642400000000, 0.0022576700000000 ] - [ 0.0005377000000000, 0.0000004100000000, 0.0021189300000000 ] - [ -0.0002677800000000, 0.0002645300000000, 0.0019763400000000 ] - [ -0.0002682000000000, -0.0002642400000000, 0.0022576700000000 ] - [ 0.0138272000000000, 0.0000000000000000, 0.0024293000000000 ] - [ -0.0072710000000000, 0.0000000000000000, 0.0170751500000000 ] - [ -0.0072065100000000, 0.0000000000000000, -0.0127847500000000 ] - [ 0.0014986000000000, -0.0000019400000000, 0.0021020900000000 ] - [ -0.0007293300000000, -0.0010612400000000, 0.0041205900000000 ] - [ -0.0007262600000000, 0.0010527200000000, 0.0000918900000000 ] - [ 0.0014986000000000, 0.0000019400000000, 0.0021020900000000 ] - [ -0.0007293300000000, 0.0010612400000000, 0.0041205900000000 ] - [ -0.0007262600000000, -0.0010527200000000, 0.0000918900000000 ] - [ 0.0013724300000000, 0.0080113000000000, 0.0078468700000000 ] - [ 0.0031517100000000, -0.0000000600000000, -0.0002603300000000 ] - [ 0.0013756400000000, -0.0079390800000000, -0.0082830300000000 ] - [ -0.0005018300000000, 0.0000000000000000, -0.0000264600000000 ] - [ 0.0009943500000000, 0.0000000000000000, -0.0002636300000000 ] - [ -0.0005037000000000, 0.0000000000000000, -0.0005016500000000 ] - [ 0.0013724300000000, -0.0080113000000000, 0.0078468700000000 ] - [ 0.0031517100000000, 0.0000000600000000, -0.0002603300000000 ] - [ 0.0013756400000000, 0.0079390800000000, -0.0082830300000000 ] - [ -0.0003915600000000, 0.0001757300000000, -0.0002902000000000 ] - [ 0.0007796200000000, -0.0000007400000000, -0.0002645400000000 ] - [ -0.0003930400000000, -0.0001767800000000, -0.0002408000000000 ] - [ -0.0002459100000000, 0.0000000000000000, -0.0002655800000000 ] - [ 0.0004940900000000, 0.0000000000000000, -0.0002631800000000 ] - [ -0.0002461600000000, 0.0000000000000000, -0.0002617200000000 ] - [ -0.0003915600000000, -0.0001757300000000, -0.0002902000000000 ] - [ 0.0007796200000000, 0.0000007400000000, -0.0002645400000000 ] - [ -0.0003930400000000, 0.0001767800000000, -0.0002408000000000 ] - [ 0.0008813900000000, 0.0072063500000000, -0.0077577000000000 ] - [ 0.0024035900000000, 0.0000021500000000, -0.0002606600000000 ] - [ 0.0008731700000000, -0.0071155100000000, 0.0071619500000000 ] - [ -0.0003983300000000, 0.0000000000000000, -0.0004957600000000 ] - [ 0.0007927500000000, 0.0000000000000000, -0.0002584700000000 ] - [ -0.0004019500000000, 0.0000000000000000, -0.0000194300000000 ] - [ 0.0008813900000000, -0.0072063500000000, -0.0077577000000000 ] - [ 0.0024035900000000, -0.0000021500000000, -0.0002606600000000 ] - [ 0.0008731700000000, 0.0071155100000000, 0.0071619500000000 ] - [ -0.2343005300000000, 0.0000000000000000, -0.0178637900000000 ] - [ 0.1180870300000000, 0.0000000000000000, -0.0150756000000000 ] - [ 0.1174058500000000, 0.0000000000000000, -0.0221131100000000 ] - [ -0.0099443200000000, -0.0001035100000000, -0.0185868200000000 ] - [ 0.0054425800000000, 0.0150632300000000, -0.0185046600000000 ] - [ 0.0054802500000000, -0.0150235800000000, -0.0186358800000000 ] - [ -0.0099443200000000, 0.0001035100000000, -0.0185868200000000 ] - [ 0.0054425800000000, -0.0150632300000000, -0.0185046600000000 ] - [ 0.0054802500000000, 0.0150235800000000, -0.0186358800000000 ] - [ -0.0087359000000000, 0.0000000000000000, -0.0187087000000000 ] - [ 0.0042534900000000, 0.0000000000000000, -0.0074042500000000 ] - [ 0.0042889300000000, 0.0000000000000000, -0.0297879800000000 ] - [ -0.0034693800000000, -0.0000071200000000, -0.0185851900000000 ] - [ 0.0017400000000000, 0.0016905100000000, -0.0168425700000000 ] - [ 0.0017380600000000, -0.0016950900000000, -0.0203218400000000 ] - [ -0.0034693800000000, 0.0000071200000000, -0.0185851900000000 ] - [ 0.0017400000000000, -0.0016905100000000, -0.0168425700000000 ] - [ 0.0017380600000000, 0.0016950900000000, -0.0203218400000000 ] - [ -0.0087367100000000, 0.0000000000000000, -0.0186207200000000 ] - [ 0.0042755500000000, 0.0000000000000000, -0.0293558500000000 ] - [ 0.0042673400000000, 0.0000000000000000, -0.0078899000000000 ] - [ -0.0034705600000000, 0.0000109500000000, -0.0185787300000000 ] - [ 0.0017435300000000, 0.0017018100000000, -0.0203771400000000 ] - [ 0.0017358900000000, -0.0016843800000000, -0.0167767400000000 ] - [ -0.0034705600000000, -0.0000109500000000, -0.0185787300000000 ] - [ 0.0017435300000000, -0.0017018100000000, -0.0203771400000000 ] - [ 0.0017358900000000, 0.0016843800000000, -0.0167767400000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0134478800000000, 0.0000000000000000, 0.0002521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086627300000000 ] - [ 0.0134478800000000, 0.0000000000000000, 0.0002521300000000 ] - [ -0.0018021100000000, -0.0011822000000000, 0.0077866700000000 ] - [ 0.0000000000000000, -0.0003175700000000, 0.0083302700000000 ] - [ 0.0018021100000000, -0.0011822000000000, 0.0077866700000000 ] - [ -0.0018021100000000, 0.0011822000000000, 0.0077866700000000 ] - [ 0.0000000000000000, 0.0003175700000000, 0.0083302700000000 ] - [ 0.0018021100000000, 0.0011822000000000, 0.0077866700000000 ] - [ 0.0166835200000000, 0.0000000000000000, 0.0028481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070696900000000 ] - [ -0.0166835200000000, 0.0000000000000000, 0.0028481400000000 ] - [ 0.0020961100000000, 0.0009470200000000, 0.0074581400000000 ] - [ 0.0000000000000000, 0.0003100100000000, 0.0078135800000000 ] - [ -0.0020961100000000, 0.0009470200000000, 0.0074581400000000 ] - [ 0.0020961100000000, -0.0009470200000000, 0.0074581400000000 ] - [ 0.0000000000000000, -0.0003100100000000, 0.0078135800000000 ] - [ -0.0020961100000000, -0.0009470200000000, 0.0074581400000000 ] - [ -0.0110640400000000, 0.0000000000000000, 0.0294225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103292900000000 ] - [ 0.0110640400000000, 0.0000000000000000, 0.0294225300000000 ] - [ 0.0003503900000000, 0.0002308500000000, 0.0097325500000000 ] - [ 0.0000000000000000, 0.0000821000000000, 0.0089511600000000 ] - [ -0.0003503900000000, 0.0002308500000000, 0.0097325500000000 ] - [ 0.0003503900000000, -0.0002308500000000, 0.0097325500000000 ] - [ 0.0000000000000000, -0.0000821000000000, 0.0089511600000000 ] - [ -0.0003503900000000, -0.0002308500000000, 0.0097325500000000 ] - [ 0.0000000000000000, -0.0134478800000000, 0.0002521300000000 ] - [ -0.0011822000000000, -0.0018021100000000, 0.0077866700000000 ] - [ 0.0011822000000000, -0.0018021100000000, 0.0077866700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086627300000000 ] - [ -0.0003175700000000, 0.0000000000000000, 0.0083302700000000 ] - [ 0.0003175700000000, 0.0000000000000000, 0.0083302700000000 ] - [ 0.0000000000000000, 0.0134478800000000, 0.0002521300000000 ] - [ -0.0011822000000000, 0.0018021100000000, 0.0077866700000000 ] - [ 0.0011822000000000, 0.0018021100000000, 0.0077866700000000 ] - [ 0.0000000000000000, 0.0166835200000000, 0.0028481400000000 ] - [ 0.0009470200000000, 0.0020961100000000, 0.0074581400000000 ] - [ -0.0009470200000000, 0.0020961100000000, 0.0074581400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070696900000000 ] - [ 0.0003100100000000, 0.0000000000000000, 0.0078135800000000 ] - [ -0.0003100100000000, 0.0000000000000000, 0.0078135800000000 ] - [ 0.0000000000000000, -0.0166835200000000, 0.0028481400000000 ] - [ 0.0009470200000000, -0.0020961100000000, 0.0074581400000000 ] - [ -0.0009470200000000, -0.0020961100000000, 0.0074581400000000 ] - [ 0.0000000000000000, -0.0110640400000000, 0.0294225300000000 ] - [ 0.0002308500000000, 0.0003503900000000, 0.0097325500000000 ] - [ -0.0002308500000000, 0.0003503900000000, 0.0097325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103292900000000 ] - [ 0.0000821000000000, 0.0000000000000000, 0.0089511600000000 ] - [ -0.0000821000000000, 0.0000000000000000, 0.0089511600000000 ] - [ 0.0000000000000000, 0.0110640400000000, 0.0294225300000000 ] - [ 0.0002308500000000, -0.0003503900000000, 0.0097325500000000 ] - [ -0.0002308500000000, -0.0003503900000000, 0.0097325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1745464200000000 ] - [ -0.0002580900000000, 0.0000000000000000, 0.0064173800000000 ] - [ 0.0002580900000000, 0.0000000000000000, 0.0064173800000000 ] - [ 0.0000000000000000, -0.0002580900000000, 0.0064173800000000 ] - [ -0.0006012100000000, -0.0006012100000000, 0.0039340000000000 ] - [ 0.0006012100000000, -0.0006012100000000, 0.0039340000000000 ] - [ 0.0000000000000000, 0.0002580900000000, 0.0064173800000000 ] - [ -0.0006012100000000, 0.0006012100000000, 0.0039340000000000 ] - [ 0.0006012100000000, 0.0006012100000000, 0.0039340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0289188300000000 ] - [ -0.0003126600000000, 0.0000000000000000, -0.0046817300000000 ] - [ 0.0003126600000000, 0.0000000000000000, -0.0046817300000000 ] - [ 0.0000000000000000, -0.0003126600000000, -0.0046817300000000 ] - [ -0.0000369900000000, -0.0000369900000000, -0.0006072300000000 ] - [ 0.0000369900000000, -0.0000369900000000, -0.0006072300000000 ] - [ 0.0000000000000000, 0.0003126600000000, -0.0046817300000000 ] - [ -0.0000369900000000, 0.0000369900000000, -0.0006072300000000 ] - [ 0.0000369900000000, 0.0000369900000000, -0.0006072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0388814200000000 ] - [ 0.0017088500000000, 0.0000000000000000, 0.0049452700000000 ] - [ -0.0017088500000000, 0.0000000000000000, 0.0049452700000000 ] - [ 0.0000000000000000, 0.0017088500000000, 0.0049452700000000 ] - [ 0.0004292500000000, 0.0004292500000000, 0.0031891600000000 ] - [ -0.0004292500000000, 0.0004292500000000, 0.0031891600000000 ] - [ 0.0000000000000000, -0.0017088500000000, 0.0049452700000000 ] - [ 0.0004292500000000, -0.0004292500000000, 0.0031891600000000 ] - [ -0.0004292500000000, -0.0004292500000000, 0.0031891600000000 ] - [ 0.0088824700000000, 0.0088824700000000, 0.0016996400000000 ] - [ 0.0000000000000000, 0.0000880700000000, -0.0006929200000000 ] - [ -0.0088824700000000, 0.0088824700000000, 0.0016996400000000 ] - [ 0.0000880700000000, 0.0000000000000000, -0.0006929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005492300000000 ] - [ -0.0000880700000000, 0.0000000000000000, -0.0006929200000000 ] - [ 0.0088824700000000, -0.0088824700000000, 0.0016996400000000 ] - [ 0.0000000000000000, -0.0000880700000000, -0.0006929200000000 ] - [ -0.0088824700000000, -0.0088824700000000, 0.0016996400000000 ] - [ 0.0000699200000000, 0.0000699200000000, 0.0022069600000000 ] - [ 0.0000000000000000, 0.0000548800000000, 0.0007171100000000 ] - [ -0.0000699200000000, 0.0000699200000000, 0.0022069600000000 ] - [ 0.0000548800000000, 0.0000000000000000, 0.0007171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003950600000000 ] - [ -0.0000548800000000, 0.0000000000000000, 0.0007171100000000 ] - [ 0.0000699200000000, -0.0000699200000000, 0.0022069600000000 ] - [ 0.0000000000000000, -0.0000548800000000, 0.0007171100000000 ] - [ -0.0000699200000000, -0.0000699200000000, 0.0022069600000000 ] - [ -0.0060944000000000, -0.0060944000000000, 0.0011996100000000 ] - [ 0.0000000000000000, -0.0002346000000000, -0.0008143100000000 ] - [ 0.0060944000000000, -0.0060944000000000, 0.0011996100000000 ] - [ -0.0002346000000000, 0.0000000000000000, -0.0008143100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006224800000000 ] - [ 0.0002346000000000, 0.0000000000000000, -0.0008143100000000 ] - [ -0.0060944000000000, 0.0060944000000000, 0.0011996100000000 ] - [ 0.0000000000000000, 0.0002346000000000, -0.0008143100000000 ] - [ 0.0060944000000000, 0.0060944000000000, 0.0011996100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3308572100000000 ] - [ -0.0036233300000000, 0.0000000000000000, -0.0259658300000000 ] - [ 0.0036233300000000, 0.0000000000000000, -0.0259658300000000 ] - [ 0.0000000000000000, -0.0036233300000000, -0.0259658300000000 ] - [ -0.0000763400000000, -0.0000763400000000, -0.0220165500000000 ] - [ 0.0000763400000000, -0.0000763400000000, -0.0220165500000000 ] - [ 0.0000000000000000, 0.0036233300000000, -0.0259658300000000 ] - [ -0.0000763400000000, 0.0000763400000000, -0.0220165500000000 ] - [ 0.0000763400000000, 0.0000763400000000, -0.0220165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0620049000000000 ] - [ 0.0107227900000000, 0.0000000000000000, -0.0154669800000000 ] - [ -0.0107227900000000, 0.0000000000000000, -0.0154669800000000 ] - [ 0.0000000000000000, 0.0107227900000000, -0.0154669800000000 ] - [ 0.0017998400000000, 0.0017998400000000, -0.0169495800000000 ] - [ -0.0017998400000000, 0.0017998400000000, -0.0169495800000000 ] - [ 0.0000000000000000, -0.0107227900000000, -0.0154669800000000 ] - [ 0.0017998400000000, -0.0017998400000000, -0.0169495800000000 ] - [ -0.0017998400000000, -0.0017998400000000, -0.0169495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0614437000000000 ] - [ -0.0111097600000000, 0.0000000000000000, -0.0154229500000000 ] - [ 0.0111097600000000, 0.0000000000000000, -0.0154229500000000 ] - [ 0.0000000000000000, -0.0111097600000000, -0.0154229500000000 ] - [ -0.0017285700000000, -0.0017285700000000, -0.0169346300000000 ] - [ 0.0017285700000000, -0.0017285700000000, -0.0169346300000000 ] - [ 0.0000000000000000, 0.0111097600000000, -0.0154229500000000 ] - [ -0.0017285700000000, 0.0017285700000000, -0.0169346300000000 ] - [ 0.0017285700000000, 0.0017285700000000, -0.0169346300000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0135351000000000, 0.0000000000000000, 0.0164835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080798000000000 ] - [ -0.0135351000000000, 0.0000000000000000, 0.0164835800000000 ] - [ 0.0018088500000000, 0.0011799500000000, 0.0089441800000000 ] - [ 0.0000000000000000, 0.0003191200000000, 0.0084011200000000 ] - [ -0.0018088500000000, 0.0011799500000000, 0.0089441800000000 ] - [ 0.0018088500000000, -0.0011799500000000, 0.0089441800000000 ] - [ 0.0000000000000000, -0.0003191200000000, 0.0084011200000000 ] - [ -0.0018088500000000, -0.0011799500000000, 0.0089441800000000 ] - [ -0.0169004800000000, 0.0000000000000000, 0.0139728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096586000000000 ] - [ 0.0169004800000000, 0.0000000000000000, 0.0139728600000000 ] - [ -0.0021228200000000, -0.0009609000000000, 0.0092685700000000 ] - [ 0.0000000000000000, -0.0003128300000000, 0.0089113500000000 ] - [ 0.0021228200000000, -0.0009609000000000, 0.0092685700000000 ] - [ -0.0021228200000000, 0.0009609000000000, 0.0092685700000000 ] - [ 0.0000000000000000, 0.0003128300000000, 0.0089113500000000 ] - [ 0.0021228200000000, 0.0009609000000000, 0.0092685700000000 ] - [ 0.0105874900000000, 0.0000000000000000, -0.0122935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063959000000000 ] - [ -0.0105874900000000, 0.0000000000000000, -0.0122935700000000 ] - [ -0.0003029800000000, -0.0002201900000000, 0.0069761500000000 ] - [ 0.0000000000000000, -0.0000766400000000, 0.0077664100000000 ] - [ 0.0003029800000000, -0.0002201900000000, 0.0069761500000000 ] - [ -0.0003029800000000, 0.0002201900000000, 0.0069761500000000 ] - [ 0.0000000000000000, 0.0000766400000000, 0.0077664100000000 ] - [ 0.0003029800000000, 0.0002201900000000, 0.0069761500000000 ] - [ 0.0000000000000000, 0.0135351000000000, 0.0164835800000000 ] - [ 0.0011799500000000, 0.0018088500000000, 0.0089441800000000 ] - [ -0.0011799500000000, 0.0018088500000000, 0.0089441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080798000000000 ] - [ 0.0003191200000000, 0.0000000000000000, 0.0084011200000000 ] - [ -0.0003191200000000, 0.0000000000000000, 0.0084011200000000 ] - [ 0.0000000000000000, -0.0135351000000000, 0.0164835800000000 ] - [ 0.0011799500000000, -0.0018088500000000, 0.0089441800000000 ] - [ -0.0011799500000000, -0.0018088500000000, 0.0089441800000000 ] - [ 0.0000000000000000, -0.0169004800000000, 0.0139728600000000 ] - [ -0.0009609000000000, -0.0021228200000000, 0.0092685700000000 ] - [ 0.0009609000000000, -0.0021228200000000, 0.0092685700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096586000000000 ] - [ -0.0003128300000000, 0.0000000000000000, 0.0089113500000000 ] - [ 0.0003128300000000, 0.0000000000000000, 0.0089113500000000 ] - [ 0.0000000000000000, 0.0169004800000000, 0.0139728600000000 ] - [ -0.0009609000000000, 0.0021228200000000, 0.0092685700000000 ] - [ 0.0009609000000000, 0.0021228200000000, 0.0092685700000000 ] - [ 0.0000000000000000, 0.0105874900000000, -0.0122935700000000 ] - [ -0.0002201900000000, -0.0003029800000000, 0.0069761500000000 ] - [ 0.0002201900000000, -0.0003029800000000, 0.0069761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063959000000000 ] - [ -0.0000766400000000, 0.0000000000000000, 0.0077664100000000 ] - [ 0.0000766400000000, 0.0000000000000000, 0.0077664100000000 ] - [ 0.0000000000000000, -0.0105874900000000, -0.0122935700000000 ] - [ -0.0002201900000000, 0.0003029800000000, 0.0069761500000000 ] - [ 0.0002201900000000, 0.0003029800000000, 0.0069761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1564862300000000 ] - [ 0.0002929900000000, 0.0000000000000000, -0.0021258400000000 ] - [ -0.0002929900000000, 0.0000000000000000, -0.0021258400000000 ] - [ 0.0000000000000000, 0.0002929900000000, -0.0021258400000000 ] - [ 0.0005996500000000, 0.0005996500000000, 0.0003054800000000 ] - [ -0.0005996500000000, 0.0005996500000000, 0.0003054800000000 ] - [ 0.0000000000000000, -0.0002929900000000, -0.0021258400000000 ] - [ 0.0005996500000000, -0.0005996500000000, 0.0003054800000000 ] - [ -0.0005996500000000, -0.0005996500000000, 0.0003054800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333775500000000 ] - [ 0.0003020400000000, 0.0000000000000000, 0.0089770200000000 ] - [ -0.0003020400000000, 0.0000000000000000, 0.0089770200000000 ] - [ 0.0000000000000000, 0.0003020400000000, 0.0089770200000000 ] - [ 0.0000365400000000, 0.0000365400000000, 0.0048508200000000 ] - [ -0.0000365400000000, 0.0000365400000000, 0.0048508200000000 ] - [ 0.0000000000000000, -0.0003020400000000, 0.0089770200000000 ] - [ 0.0000365400000000, -0.0000365400000000, 0.0048508200000000 ] - [ -0.0000365400000000, -0.0000365400000000, 0.0048508200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418540600000000 ] - [ -0.0017272200000000, 0.0000000000000000, -0.0007916500000000 ] - [ 0.0017272200000000, 0.0000000000000000, -0.0007916500000000 ] - [ 0.0000000000000000, -0.0017272200000000, -0.0007916500000000 ] - [ -0.0004327000000000, -0.0004327000000000, 0.0010076500000000 ] - [ 0.0004327000000000, -0.0004327000000000, 0.0010076500000000 ] - [ 0.0000000000000000, 0.0017272200000000, -0.0007916500000000 ] - [ -0.0004327000000000, 0.0004327000000000, 0.0010076500000000 ] - [ 0.0004327000000000, 0.0004327000000000, 0.0010076500000000 ] - [ -0.0088136000000000, -0.0088136000000000, -0.0022203500000000 ] - [ 0.0000000000000000, -0.0000934700000000, 0.0001626900000000 ] - [ 0.0088136000000000, -0.0088136000000000, -0.0022203500000000 ] - [ -0.0000934700000000, 0.0000000000000000, 0.0001626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210500000000 ] - [ 0.0000934700000000, 0.0000000000000000, 0.0001626900000000 ] - [ -0.0088136000000000, 0.0088136000000000, -0.0022203500000000 ] - [ 0.0000000000000000, 0.0000934700000000, 0.0001626900000000 ] - [ 0.0088136000000000, 0.0088136000000000, -0.0022203500000000 ] - [ -0.0000653900000000, -0.0000653900000000, -0.0027494900000000 ] - [ 0.0000000000000000, -0.0000544100000000, -0.0012487700000000 ] - [ 0.0000653900000000, -0.0000653900000000, -0.0027494900000000 ] - [ -0.0000544100000000, 0.0000000000000000, -0.0012487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009246600000000 ] - [ 0.0000544100000000, 0.0000000000000000, -0.0012487700000000 ] - [ -0.0000653900000000, 0.0000653900000000, -0.0027494900000000 ] - [ 0.0000000000000000, 0.0000544100000000, -0.0012487700000000 ] - [ 0.0000653900000000, 0.0000653900000000, -0.0027494900000000 ] - [ 0.0061681700000000, 0.0061681700000000, -0.0017005800000000 ] - [ 0.0000000000000000, 0.0002354900000000, 0.0003028300000000 ] - [ -0.0061681700000000, 0.0061681700000000, -0.0017005800000000 ] - [ 0.0002354900000000, 0.0000000000000000, 0.0003028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001062600000000 ] - [ -0.0002354900000000, 0.0000000000000000, 0.0003028300000000 ] - [ 0.0061681700000000, -0.0061681700000000, -0.0017005800000000 ] - [ 0.0000000000000000, -0.0002354900000000, 0.0003028300000000 ] - [ -0.0061681700000000, -0.0061681700000000, -0.0017005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2803613300000000 ] - [ 0.0034172200000000, 0.0000000000000000, -0.0111152200000000 ] - [ -0.0034172200000000, 0.0000000000000000, -0.0111152200000000 ] - [ 0.0000000000000000, 0.0034172200000000, -0.0111152200000000 ] - [ 0.0000544200000000, 0.0000544200000000, -0.0151215900000000 ] - [ -0.0000544200000000, 0.0000544200000000, -0.0151215900000000 ] - [ 0.0000000000000000, -0.0034172200000000, -0.0111152200000000 ] - [ 0.0000544200000000, -0.0000544200000000, -0.0151215900000000 ] - [ -0.0000544200000000, -0.0000544200000000, -0.0151215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0994624400000000 ] - [ -0.0107449300000000, 0.0000000000000000, -0.0217649900000000 ] - [ 0.0107449300000000, 0.0000000000000000, -0.0217649900000000 ] - [ 0.0000000000000000, -0.0107449300000000, -0.0217649900000000 ] - [ -0.0018000200000000, -0.0018000200000000, -0.0202251500000000 ] - [ 0.0018000200000000, -0.0018000200000000, -0.0202251500000000 ] - [ 0.0000000000000000, 0.0107449300000000, -0.0217649900000000 ] - [ -0.0018000200000000, 0.0018000200000000, -0.0202251500000000 ] - [ 0.0018000200000000, 0.0018000200000000, -0.0202251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1000289500000000 ] - [ 0.0112744400000000, 0.0000000000000000, -0.0217229200000000 ] - [ -0.0112744400000000, 0.0000000000000000, -0.0217229200000000 ] - [ 0.0000000000000000, 0.0112744400000000, -0.0217229200000000 ] - [ 0.0017511500000000, 0.0017511500000000, -0.0202111300000000 ] - [ -0.0017511500000000, 0.0017511500000000, -0.0202111300000000 ] - [ 0.0000000000000000, -0.0112744400000000, -0.0217229200000000 ] - [ 0.0017511500000000, -0.0017511500000000, -0.0202111300000000 ] - [ -0.0017511500000000, -0.0017511500000000, -0.0202111300000000 ]