# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5523e3ca-b639-4d85-bf5a-74def82511d4/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 PH4I / P4/nmm (129) / materials id 24409](https://mdr.nims.go.jp/datasets/e002c161-9e92-467f-b143-647bafa5e559) ## 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: "P4/nmm" number: 129 Hall_symbol: "P 4ab 2ab -1ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 6.070989220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.070989220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.477835109999999 ] # c points: - symbol: H # 1 coordinates: [ 0.690465110000000, 0.500000000000000, 0.188270670000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.000000000000000, 0.190465110000000, 0.188270670000000 ] mass: 1.007940 - symbol: H # 3 coordinates: [ 0.000000000000000, 0.809534890000000, 0.188270670000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.309534890000000, 0.500000000000000, 0.188270670000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.190465110000000, 0.000000000000000, 0.811729330000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.809534890000000, 0.000000000000000, 0.811729330000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.500000000000000, 0.690465110000000, 0.811729330000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.500000000000000, 0.309534890000000, 0.811729330000000 ] mass: 1.007940 - symbol: P # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 30.973762 - symbol: I # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.398553550000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.601446450000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.164717801953205, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.164717801953205, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.223322202679321 ] # c*unit_cell: lattice: - [ 6.070989220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.070989220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.477835110000000 ] # c points: - symbol: H # 1 coordinates: [ 0.690465110000000, 0.500000000000000, 0.188270670000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.000000000000000, 0.190465110000000, 0.188270670000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.000000000000000, 0.809534890000000, 0.188270670000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.309534890000000, 0.500000000000000, 0.188270670000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.190465110000000, 0.000000000000000, 0.811729330000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.809534890000000, 0.000000000000000, 0.811729330000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.500000000000000, 0.690465110000000, 0.811729330000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.500000000000000, 0.309534890000000, 0.811729330000000 ] mass: 1.007940 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.398553550000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.000000000000000, 0.500000000000000, 0.601446450000000 ] mass: 126.904470 reduced_to: 12supercell: lattice: - [ 12.141978440000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.141978440000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.433505329999999 ] # c points: - symbol: H # 1 coordinates: [ 0.345232555000000, 0.250000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.845232555000000, 0.250000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.345232555000000, 0.750000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 4 coordinates: [ 0.845232555000000, 0.750000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 5 coordinates: [ 0.345232555000000, 0.250000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 6 coordinates: [ 0.845232555000000, 0.250000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 7 coordinates: [ 0.345232555000000, 0.750000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 8 coordinates: [ 0.845232555000000, 0.750000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 1 - symbol: H # 9 coordinates: [ 0.345232555000000, 0.250000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 10 coordinates: [ 0.845232555000000, 0.250000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 11 coordinates: [ 0.345232555000000, 0.750000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 12 coordinates: [ 0.845232555000000, 0.750000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 1 - symbol: H # 13 coordinates: [ 0.000000000000000, 0.095232555000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.500000000000000, 0.095232555000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.000000000000000, 0.595232555000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 16 coordinates: [ 0.500000000000000, 0.595232555000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 17 coordinates: [ 0.000000000000000, 0.095232555000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 18 coordinates: [ 0.500000000000000, 0.095232555000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 19 coordinates: [ 0.000000000000000, 0.595232555000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 20 coordinates: [ 0.500000000000000, 0.595232555000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 13 - symbol: H # 21 coordinates: [ 0.000000000000000, 0.095232555000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 22 coordinates: [ 0.500000000000000, 0.095232555000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 23 coordinates: [ 0.000000000000000, 0.595232555000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 24 coordinates: [ 0.500000000000000, 0.595232555000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 13 - symbol: H # 25 coordinates: [ 0.000000000000000, 0.404767445000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.500000000000000, 0.404767445000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.000000000000000, 0.904767445000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.500000000000000, 0.904767445000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.000000000000000, 0.404767445000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 30 coordinates: [ 0.500000000000000, 0.404767445000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 31 coordinates: [ 0.000000000000000, 0.904767445000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 32 coordinates: [ 0.500000000000000, 0.904767445000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 25 - symbol: H # 33 coordinates: [ 0.000000000000000, 0.404767445000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 34 coordinates: [ 0.500000000000000, 0.404767445000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 35 coordinates: [ 0.000000000000000, 0.904767445000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 36 coordinates: [ 0.500000000000000, 0.904767445000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 25 - symbol: H # 37 coordinates: [ 0.154767445000000, 0.250000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.654767445000000, 0.250000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.154767445000000, 0.750000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.654767445000000, 0.750000000000000, 0.062756890000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.154767445000000, 0.250000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 42 coordinates: [ 0.654767445000000, 0.250000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 43 coordinates: [ 0.154767445000000, 0.750000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 44 coordinates: [ 0.654767445000000, 0.750000000000000, 0.396090223333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 45 coordinates: [ 0.154767445000000, 0.250000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 46 coordinates: [ 0.654767445000000, 0.250000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 47 coordinates: [ 0.154767445000000, 0.750000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 48 coordinates: [ 0.654767445000000, 0.750000000000000, 0.729423556666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 49 coordinates: [ 0.095232555000000, 0.000000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.595232555000000, 0.000000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.095232555000000, 0.500000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.595232555000000, 0.500000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.095232555000000, 0.000000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 49 - symbol: H # 54 coordinates: [ 0.595232555000000, 0.000000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 49 - symbol: H # 55 coordinates: [ 0.095232555000000, 0.500000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 49 - symbol: H # 56 coordinates: [ 0.595232555000000, 0.500000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 49 - symbol: H # 57 coordinates: [ 0.095232555000000, 0.000000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 58 coordinates: [ 0.595232555000000, 0.000000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 59 coordinates: [ 0.095232555000000, 0.500000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 60 coordinates: [ 0.595232555000000, 0.500000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 61 coordinates: [ 0.404767445000000, 0.000000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.904767445000000, 0.000000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.404767445000000, 0.500000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.904767445000000, 0.500000000000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.404767445000000, 0.000000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 61 - symbol: H # 66 coordinates: [ 0.904767445000000, 0.000000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 61 - symbol: H # 67 coordinates: [ 0.404767445000000, 0.500000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 61 - symbol: H # 68 coordinates: [ 0.904767445000000, 0.500000000000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 61 - symbol: H # 69 coordinates: [ 0.404767445000000, 0.000000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 70 coordinates: [ 0.904767445000000, 0.000000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 71 coordinates: [ 0.404767445000000, 0.500000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 72 coordinates: [ 0.904767445000000, 0.500000000000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 73 coordinates: [ 0.250000000000000, 0.345232555000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.750000000000000, 0.345232555000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.250000000000000, 0.845232555000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.750000000000000, 0.845232555000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.250000000000000, 0.345232555000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 73 - symbol: H # 78 coordinates: [ 0.750000000000000, 0.345232555000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 73 - symbol: H # 79 coordinates: [ 0.250000000000000, 0.845232555000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 73 - symbol: H # 80 coordinates: [ 0.750000000000000, 0.845232555000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 73 - symbol: H # 81 coordinates: [ 0.250000000000000, 0.345232555000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 82 coordinates: [ 0.750000000000000, 0.345232555000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 83 coordinates: [ 0.250000000000000, 0.845232555000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 84 coordinates: [ 0.750000000000000, 0.845232555000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 85 coordinates: [ 0.250000000000000, 0.154767445000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 85 - symbol: H # 86 coordinates: [ 0.750000000000000, 0.154767445000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 85 - symbol: H # 87 coordinates: [ 0.250000000000000, 0.654767445000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 85 - symbol: H # 88 coordinates: [ 0.750000000000000, 0.654767445000000, 0.270576443333333 ] mass: 1.007940 reduced_to: 85 - symbol: H # 89 coordinates: [ 0.250000000000000, 0.154767445000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 85 - symbol: H # 90 coordinates: [ 0.750000000000000, 0.154767445000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 85 - symbol: H # 91 coordinates: [ 0.250000000000000, 0.654767445000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 85 - symbol: H # 92 coordinates: [ 0.750000000000000, 0.654767445000000, 0.603909776666667 ] mass: 1.007940 reduced_to: 85 - symbol: H # 93 coordinates: [ 0.250000000000000, 0.154767445000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 94 coordinates: [ 0.750000000000000, 0.154767445000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 95 coordinates: [ 0.250000000000000, 0.654767445000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 96 coordinates: [ 0.750000000000000, 0.654767445000000, 0.937243110000000 ] mass: 1.007940 reduced_to: 85 - symbol: P # 97 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 98 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 99 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 100 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 101 coordinates: [ 0.250000000000000, 0.250000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 102 coordinates: [ 0.750000000000000, 0.250000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 103 coordinates: [ 0.250000000000000, 0.750000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 104 coordinates: [ 0.750000000000000, 0.750000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 97 - symbol: P # 105 coordinates: [ 0.250000000000000, 0.250000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 106 coordinates: [ 0.750000000000000, 0.250000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 107 coordinates: [ 0.250000000000000, 0.750000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 108 coordinates: [ 0.750000000000000, 0.750000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 97 - symbol: P # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.333333333333333 ] mass: 30.973762 reduced_to: 109 - symbol: P # 117 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 118 coordinates: [ 0.500000000000000, 0.000000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 119 coordinates: [ 0.000000000000000, 0.500000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 109 - symbol: P # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.666666666666667 ] mass: 30.973762 reduced_to: 109 - symbol: I # 121 coordinates: [ 0.250000000000000, 0.000000000000000, 0.132851183333333 ] mass: 126.904470 reduced_to: 121 - symbol: I # 122 coordinates: [ 0.750000000000000, 0.000000000000000, 0.132851183333333 ] mass: 126.904470 reduced_to: 121 - symbol: I # 123 coordinates: [ 0.250000000000000, 0.500000000000000, 0.132851183333333 ] mass: 126.904470 reduced_to: 121 - symbol: I # 124 coordinates: [ 0.750000000000000, 0.500000000000000, 0.132851183333333 ] mass: 126.904470 reduced_to: 121 - symbol: I # 125 coordinates: [ 0.250000000000000, 0.000000000000000, 0.466184516666667 ] mass: 126.904470 reduced_to: 121 - symbol: I # 126 coordinates: [ 0.750000000000000, 0.000000000000000, 0.466184516666667 ] mass: 126.904470 reduced_to: 121 - symbol: I # 127 coordinates: [ 0.250000000000000, 0.500000000000000, 0.466184516666667 ] mass: 126.904470 reduced_to: 121 - symbol: I # 128 coordinates: [ 0.750000000000000, 0.500000000000000, 0.466184516666667 ] mass: 126.904470 reduced_to: 121 - symbol: I # 129 coordinates: [ 0.250000000000000, 0.000000000000000, 0.799517850000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 130 coordinates: [ 0.750000000000000, 0.000000000000000, 0.799517850000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 131 coordinates: [ 0.250000000000000, 0.500000000000000, 0.799517850000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 132 coordinates: [ 0.750000000000000, 0.500000000000000, 0.799517850000000 ] mass: 126.904470 reduced_to: 121 - symbol: I # 133 coordinates: [ 0.000000000000000, 0.250000000000000, 0.200482150000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 134 coordinates: [ 0.500000000000000, 0.250000000000000, 0.200482150000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 135 coordinates: [ 0.000000000000000, 0.750000000000000, 0.200482150000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 136 coordinates: [ 0.500000000000000, 0.750000000000000, 0.200482150000000 ] mass: 126.904470 reduced_to: 133 - symbol: I # 137 coordinates: [ 0.000000000000000, 0.250000000000000, 0.533815483333333 ] mass: 126.904470 reduced_to: 133 - symbol: I # 138 coordinates: [ 0.500000000000000, 0.250000000000000, 0.533815483333333 ] mass: 126.904470 reduced_to: 133 - symbol: I # 139 coordinates: [ 0.000000000000000, 0.750000000000000, 0.533815483333333 ] mass: 126.904470 reduced_to: 133 - symbol: I # 140 coordinates: [ 0.500000000000000, 0.750000000000000, 0.533815483333333 ] mass: 126.904470 reduced_to: 133 - symbol: I # 141 coordinates: [ 0.000000000000000, 0.250000000000000, 0.867148816666667 ] mass: 126.904470 reduced_to: 133 - symbol: I # 142 coordinates: [ 0.500000000000000, 0.250000000000000, 0.867148816666667 ] mass: 126.904470 reduced_to: 133 - symbol: I # 143 coordinates: [ 0.000000000000000, 0.750000000000000, 0.867148816666667 ] mass: 126.904470 reduced_to: 133 - symbol: I # 144 coordinates: [ 0.500000000000000, 0.750000000000000, 0.867148816666667 ] mass: 126.904470 reduced_to: 133born_effective_charge:- # 1 (H) - [ 0.401063910000000, 0.000000000000000, 0.588197980000000 ] - [ 0.000000000000000, -0.236089690000000, 0.000000000000000 ] - [ 0.542822240000000, 0.000000000000000, 0.312376070000000 ]- # 2 (H) - [ -0.236089690000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.401063910000000, 0.588197980000000 ] - [ 0.000000000000000, 0.542822240000000, 0.312376070000000 ]- # 3 (H) - [ -0.236089690000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.401063910000000, -0.588197980000000 ] - [ 0.000000000000000, -0.542822240000000, 0.312376070000000 ]- # 4 (H) - [ 0.401063910000000, 0.000000000000000, -0.588197980000000 ] - [ 0.000000000000000, -0.236089690000000, 0.000000000000000 ] - [ -0.542822240000000, 0.000000000000000, 0.312376070000000 ]- # 5 (H) - [ 0.401063910000000, 0.000000000000000, -0.588197980000000 ] - [ 0.000000000000000, -0.236089690000000, 0.000000000000000 ] - [ -0.542822240000000, 0.000000000000000, 0.312376070000000 ]- # 6 (H) - [ 0.401063910000000, 0.000000000000000, 0.588197980000000 ] - [ 0.000000000000000, -0.236089690000000, 0.000000000000000 ] - [ 0.542822240000000, 0.000000000000000, 0.312376070000000 ]- # 7 (H) - [ -0.236089690000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.401063910000000, -0.588197980000000 ] - [ 0.000000000000000, -0.542822240000000, 0.312376070000000 ]- # 8 (H) - [ -0.236089690000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.401063910000000, 0.588197980000000 ] - [ 0.000000000000000, 0.542822240000000, 0.312376070000000 ]- # 9 (P) - [ 1.265007110000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.265007110000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.567841980000000 ]- # 10 (P) - [ 1.265007110000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.265007110000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.567841980000000 ]- # 11 (I) - [ -1.594955560000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.594955560000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.817346280000000 ]- # 12 (I) - [ -1.594955560000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.594955560000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.817346280000000 ]dielectric_constant: - [ 5.069766410000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.069766410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.362428940000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1222283300000000, 0.0000000000000000, -0.0714356100000000 ] - [ 0.0033417400000000, 0.0000000000000000, 0.0014794200000000 ] - [ 0.0032525300000000, 0.0000000000000000, 0.0012884500000000 ] - [ 0.0033913600000000, 0.0000000000000000, 0.0013902800000000 ] - [ 0.0033657000000000, 0.0000000000000000, 0.0014385700000000 ] - [ 0.0033984900000000, 0.0000000000000000, 0.0015651400000000 ] - [ 0.0032821700000000, 0.0000000000000000, 0.0013516800000000 ] - [ 0.0033927400000000, 0.0000000000000000, 0.0013810300000000 ] - [ 0.0033656200000000, 0.0000000000000000, 0.0014209700000000 ] - [ 0.0034031000000000, 0.0000000000000000, 0.0013214500000000 ] - [ 0.0032835900000000, 0.0000000000000000, 0.0012686300000000 ] - [ 0.0033936000000000, 0.0000000000000000, 0.0013678300000000 ] - [ -0.0000203000000000, 0.0032895300000000, 0.0013052300000000 ] - [ 0.0001188900000000, 0.0023750500000000, 0.0006330000000000 ] - [ -0.0000330200000000, 0.0033357200000000, 0.0013478500000000 ] - [ 0.0000319000000000, 0.0032884800000000, 0.0014490900000000 ] - [ -0.0000225200000000, 0.0033404500000000, 0.0013514100000000 ] - [ 0.0000166100000000, 0.0034981900000000, 0.0014636500000000 ] - [ -0.0000266400000000, 0.0033594900000000, 0.0013752900000000 ] - [ 0.0000450600000000, 0.0033208800000000, 0.0014589300000000 ] - [ -0.0000021300000000, 0.0033243700000000, 0.0013135400000000 ] - [ 0.0000458100000000, 0.0034973100000000, 0.0014425600000000 ] - [ -0.0000080700000000, 0.0033606000000000, 0.0013491500000000 ] - [ 0.0000130300000000, 0.0033415500000000, 0.0012926000000000 ] - [ -0.0000203000000000, -0.0032895300000000, 0.0013052300000000 ] - [ 0.0001188900000000, -0.0023750500000000, 0.0006330000000000 ] - [ -0.0000330200000000, -0.0033357200000000, 0.0013478500000000 ] - [ 0.0000319000000000, -0.0032884800000000, 0.0014490900000000 ] - [ -0.0000225200000000, -0.0033404500000000, 0.0013514100000000 ] - [ 0.0000166100000000, -0.0034981900000000, 0.0014636500000000 ] - [ -0.0000266400000000, -0.0033594900000000, 0.0013752900000000 ] - [ 0.0000450600000000, -0.0033208800000000, 0.0014589300000000 ] - [ -0.0000021300000000, -0.0033243700000000, 0.0013135400000000 ] - [ 0.0000458100000000, -0.0034973100000000, 0.0014425600000000 ] - [ -0.0000080700000000, -0.0033606000000000, 0.0013491500000000 ] - [ 0.0000130300000000, -0.0033415500000000, 0.0012926000000000 ] - [ -0.0001737700000000, 0.0000000000000000, 0.0063380000000000 ] - [ -0.0027121400000000, 0.0000000000000000, 0.0008084800000000 ] - [ -0.0032791400000000, 0.0000000000000000, 0.0013172200000000 ] - [ -0.0033614800000000, 0.0000000000000000, 0.0013590800000000 ] - [ -0.0032698100000000, 0.0000000000000000, 0.0014001900000000 ] - [ -0.0036806300000000, 0.0000000000000000, 0.0015024900000000 ] - [ -0.0032964800000000, 0.0000000000000000, 0.0013697700000000 ] - [ -0.0033763000000000, 0.0000000000000000, 0.0013638200000000 ] - [ -0.0032723900000000, 0.0000000000000000, 0.0013385200000000 ] - [ -0.0036795300000000, 0.0000000000000000, 0.0016604300000000 ] - [ -0.0032977900000000, 0.0000000000000000, 0.0012879700000000 ] - [ -0.0033771900000000, 0.0000000000000000, 0.0013454300000000 ] - [ 0.0034781700000000, -0.0000137600000000, -0.0014552800000000 ] - [ 0.0034788300000000, 0.0000285400000000, -0.0014264500000000 ] - [ 0.0034781700000000, 0.0000137600000000, -0.0014552800000000 ] - [ 0.0034788300000000, -0.0000285400000000, -0.0014264500000000 ] - [ 0.0033300700000000, 0.0000071300000000, -0.0013410300000000 ] - [ 0.0033307200000000, -0.0000080100000000, -0.0013205200000000 ] - [ 0.0033300700000000, -0.0000071300000000, -0.0013410300000000 ] - [ 0.0033307200000000, 0.0000080100000000, -0.0013205200000000 ] - [ 0.0034458800000000, 0.0000426300000000, -0.0014061100000000 ] - [ 0.0034474900000000, 0.0001141100000000, -0.0012818300000000 ] - [ 0.0034458800000000, -0.0000426300000000, -0.0014061100000000 ] - [ 0.0034474900000000, -0.0001141100000000, -0.0012818300000000 ] - [ -0.0036076400000000, 0.0000276000000000, -0.0015692200000000 ] - [ -0.0033157100000000, 0.0000034700000000, -0.0012842300000000 ] - [ -0.0036076400000000, -0.0000276000000000, -0.0015692200000000 ] - [ -0.0033157100000000, -0.0000034700000000, -0.0012842300000000 ] - [ -0.0033335300000000, -0.0000263900000000, -0.0013596100000000 ] - [ -0.0033186900000000, 0.0000139200000000, -0.0013079900000000 ] - [ -0.0033335300000000, 0.0000263900000000, -0.0013596100000000 ] - [ -0.0033186900000000, -0.0000139200000000, -0.0013079900000000 ] - [ -0.0035167100000000, 0.0001576300000000, -0.0013584300000000 ] - [ -0.0033705100000000, -0.0000148200000000, -0.0013150600000000 ] - [ -0.0035167100000000, -0.0001576300000000, -0.0013584300000000 ] - [ -0.0033705100000000, 0.0000148200000000, -0.0013150600000000 ] - [ 0.0000652200000000, 0.0035036600000000, -0.0015864600000000 ] - [ -0.0000628500000000, 0.0035404400000000, -0.0015149200000000 ] - [ -0.0000050800000000, 0.0035404100000000, -0.0015007700000000 ] - [ -0.0000042600000000, 0.0033127300000000, -0.0013133400000000 ] - [ -0.0000106000000000, 0.0033184500000000, -0.0013503200000000 ] - [ 0.0000693500000000, 0.0033053800000000, -0.0013504100000000 ] - [ 0.0000070600000000, 0.0033057700000000, -0.0013080700000000 ] - [ -0.0000073000000000, 0.0033100300000000, -0.0013233000000000 ] - [ -0.0031381800000000, 0.0019797500000000, -0.0029058100000000 ] - [ -0.0000874000000000, 0.0034225800000000, -0.0013350600000000 ] - [ 0.0000045600000000, 0.0034221000000000, -0.0014039800000000 ] - [ -0.0000005300000000, 0.0033659600000000, -0.0013618400000000 ] - [ 0.0000652200000000, -0.0035036600000000, -0.0015864600000000 ] - [ -0.0000628500000000, -0.0035404400000000, -0.0015149200000000 ] - [ -0.0000050800000000, -0.0035404100000000, -0.0015007700000000 ] - [ -0.0000042600000000, -0.0033127300000000, -0.0013133400000000 ] - [ -0.0000106000000000, -0.0033184500000000, -0.0013503200000000 ] - [ 0.0000693500000000, -0.0033053800000000, -0.0013504100000000 ] - [ 0.0000070600000000, -0.0033057700000000, -0.0013080700000000 ] - [ -0.0000073000000000, -0.0033100300000000, -0.0013233000000000 ] - [ -0.0031381800000000, -0.0019797500000000, -0.0029058100000000 ] - [ -0.0000874000000000, -0.0034225800000000, -0.0013350600000000 ] - [ 0.0000045600000000, -0.0034221000000000, -0.0014039800000000 ] - [ -0.0000005300000000, -0.0033659600000000, -0.0013618400000000 ] - [ 0.1277290900000000, 0.0000000000000000, 0.0755484500000000 ] - [ -0.0001045200000000, 0.0000000000000000, -0.0001988000000000 ] - [ -0.0000351600000000, 0.0000000000000000, 0.0001914100000000 ] - [ 0.0000171900000000, 0.0000000000000000, -0.0000957300000000 ] - [ -0.0006186700000000, 0.0000000000000000, 0.0001168900000000 ] - [ 0.0010257600000000, 0.0000000000000000, 0.0002529900000000 ] - [ -0.0000556600000000, 0.0000000000000000, 0.0001149600000000 ] - [ 0.0000498400000000, 0.0000000000000000, -0.0000670600000000 ] - [ -0.0000154300000000, 0.0000000000000000, 0.0003842700000000 ] - [ 0.0000492200000000, 0.0000000000000000, -0.0000691100000000 ] - [ -0.0000311700000000, 0.0000000000000000, 0.0001645200000000 ] - [ 0.0000260300000000, 0.0000000000000000, -0.0000218600000000 ] - [ 0.0002134100000000, 0.0000224500000000, -0.0000312000000000 ] - [ -0.0003438700000000, 0.0002046200000000, -0.0000523400000000 ] - [ 0.0002134100000000, -0.0000224500000000, -0.0000312000000000 ] - [ -0.0003438700000000, -0.0002046200000000, -0.0000523400000000 ] - [ 0.0000420700000000, -0.0000528600000000, -0.0000218500000000 ] - [ -0.0001155600000000, -0.0007778500000000, 0.0002895300000000 ] - [ 0.0000420700000000, 0.0000528600000000, -0.0000218500000000 ] - [ -0.0001155600000000, 0.0007778500000000, 0.0002895300000000 ] - [ 0.0001154400000000, -0.0000351800000000, 0.0000455500000000 ] - [ -0.0001357800000000, -0.0000750800000000, 0.0000847800000000 ] - [ 0.0001154400000000, 0.0000351800000000, 0.0000455500000000 ] - [ -0.0001357800000000, 0.0000750800000000, 0.0000847800000000 ] - [ 0.0000742700000000, -0.0003640500000000, -0.0014750200000000 ] - [ -0.0001365500000000, 0.0001412300000000, -0.0018513400000000 ] - [ 0.0000742700000000, 0.0003640500000000, -0.0014750200000000 ] - [ -0.0001365500000000, -0.0001412300000000, -0.0018513400000000 ] - [ 0.0000661000000000, 0.0000679700000000, -0.0020513000000000 ] - [ -0.0000736200000000, 0.0000864500000000, -0.0021026700000000 ] - [ 0.0000661000000000, -0.0000679700000000, -0.0020513000000000 ] - [ -0.0000736200000000, -0.0000864500000000, -0.0021026700000000 ] - [ 0.0000628400000000, -0.0006370300000000, -0.0024568000000000 ] - [ -0.0000098900000000, 0.0000026600000000, -0.0019256400000000 ] - [ 0.0000628400000000, 0.0006370300000000, -0.0024568000000000 ] - [ -0.0000098900000000, -0.0000026600000000, -0.0019256400000000 ] - [ -0.0000676900000000, 0.0000000000000000, 0.0018725700000000 ] - [ -0.0016929300000000, 0.0000000000000000, -0.0001641100000000 ] - [ -0.0000960400000000, 0.0000000000000000, 0.0020038600000000 ] - [ 0.0000907000000000, 0.0000000000000000, 0.0020515100000000 ] - [ -0.0000835100000000, 0.0000000000000000, 0.0017332200000000 ] - [ 0.0000753200000000, 0.0000000000000000, 0.0016502400000000 ] - [ -0.0000700300000000, 0.0000000000000000, 0.0019223800000000 ] - [ 0.0000701400000000, 0.0000000000000000, 0.0017540800000000 ] - [ 0.0002440000000000, 0.0000000000000000, 0.0027032500000000 ] - [ 0.0020271000000000, 0.0000000000000000, 0.0000994600000000 ] - [ -0.0000804800000000, 0.0000000000000000, 0.0019502600000000 ] - [ 0.0000895800000000, 0.0000000000000000, 0.0020652700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1334511400000000, 0.0000000000000000, 0.0785712600000000 ] - [ 0.0033684000000000, 0.0000000000000000, 0.0012233600000000 ] - [ 0.0034547100000000, 0.0000000000000000, 0.0014090600000000 ] - [ 0.0033182800000000, 0.0000000000000000, 0.0013095300000000 ] - [ 0.0033485400000000, 0.0000000000000000, 0.0012744800000000 ] - [ 0.0033160700000000, 0.0000000000000000, 0.0011517400000000 ] - [ 0.0034300800000000, 0.0000000000000000, 0.0013595100000000 ] - [ 0.0033219400000000, 0.0000000000000000, 0.0013312700000000 ] - [ 0.0033485300000000, 0.0000000000000000, 0.0012678000000000 ] - [ 0.0033207300000000, 0.0000000000000000, 0.0013761000000000 ] - [ 0.0034315200000000, 0.0000000000000000, 0.0014204900000000 ] - [ 0.0033227800000000, 0.0000000000000000, 0.0013226000000000 ] - [ 0.0000211600000000, 0.0034202700000000, 0.0013930800000000 ] - [ -0.0001187400000000, 0.0043112000000000, 0.0020489300000000 ] - [ 0.0000320200000000, 0.0033731500000000, 0.0013500100000000 ] - [ -0.0000311100000000, 0.0034192100000000, 0.0012508300000000 ] - [ 0.0000218400000000, 0.0033729700000000, 0.0013601200000000 ] - [ -0.0000164400000000, 0.0032190900000000, 0.0012504600000000 ] - [ 0.0000260700000000, 0.0033547500000000, 0.0013366000000000 ] - [ -0.0000443300000000, 0.0033921200000000, 0.0012552600000000 ] - [ 0.0000011300000000, 0.0033956300000000, 0.0013793900000000 ] - [ -0.0000454700000000, 0.0032182900000000, 0.0012470300000000 ] - [ 0.0000078500000000, 0.0033558600000000, 0.0013406200000000 ] - [ -0.0000130600000000, 0.0033741100000000, 0.0013973900000000 ] - [ 0.0000211600000000, -0.0034202700000000, 0.0013930800000000 ] - [ -0.0001187400000000, -0.0043112000000000, 0.0020489300000000 ] - [ 0.0000320200000000, -0.0033731500000000, 0.0013500100000000 ] - [ -0.0000311100000000, -0.0034192100000000, 0.0012508300000000 ] - [ 0.0000218400000000, -0.0033729700000000, 0.0013601200000000 ] - [ -0.0000164400000000, -0.0032190900000000, 0.0012504600000000 ] - [ 0.0000260700000000, -0.0033547500000000, 0.0013366000000000 ] - [ -0.0000443300000000, -0.0033921200000000, 0.0012552600000000 ] - [ 0.0000011300000000, -0.0033956300000000, 0.0013793900000000 ] - [ -0.0000454700000000, -0.0032182900000000, 0.0012470300000000 ] - [ 0.0000078500000000, -0.0033558600000000, 0.0013406200000000 ] - [ -0.0000130600000000, -0.0033741100000000, 0.0013973900000000 ] - [ -0.0067310900000000, 0.0000000000000000, -0.0037895300000000 ] - [ -0.0039839700000000, 0.0000000000000000, 0.0018802600000000 ] - [ -0.0034294300000000, 0.0000000000000000, 0.0013816600000000 ] - [ -0.0033472000000000, 0.0000000000000000, 0.0013396300000000 ] - [ -0.0034434200000000, 0.0000000000000000, 0.0013130400000000 ] - [ -0.0030408500000000, 0.0000000000000000, 0.0012124700000000 ] - [ -0.0034168400000000, 0.0000000000000000, 0.0013426500000000 ] - [ -0.0033379200000000, 0.0000000000000000, 0.0013478900000000 ] - [ -0.0034460200000000, 0.0000000000000000, 0.0013548900000000 ] - [ -0.0030398600000000, 0.0000000000000000, 0.0010312600000000 ] - [ -0.0034181400000000, 0.0000000000000000, 0.0014020900000000 ] - [ -0.0033388400000000, 0.0000000000000000, 0.0013444400000000 ] - [ 0.0032395400000000, 0.0000134200000000, -0.0012368500000000 ] - [ 0.0032401200000000, -0.0000279000000000, -0.0012658300000000 ] - [ 0.0032395400000000, -0.0000134200000000, -0.0012368500000000 ] - [ 0.0032401200000000, 0.0000279000000000, -0.0012658300000000 ] - [ 0.0033826300000000, -0.0000076200000000, -0.0013704300000000 ] - [ 0.0033832600000000, 0.0000083100000000, -0.0013909900000000 ] - [ 0.0033826300000000, 0.0000076200000000, -0.0013704300000000 ] - [ 0.0033832600000000, -0.0000083100000000, -0.0013909900000000 ] - [ 0.0032621100000000, -0.0000421400000000, -0.0012921700000000 ] - [ 0.0032636800000000, -0.0001129400000000, -0.0014165200000000 ] - [ 0.0032621100000000, 0.0000421400000000, -0.0012921700000000 ] - [ 0.0032636800000000, 0.0001129400000000, -0.0014165200000000 ] - [ -0.0031139400000000, -0.0000269500000000, -0.0011255800000000 ] - [ -0.0033991000000000, -0.0000035000000000, -0.0014041600000000 ] - [ -0.0031139400000000, 0.0000269500000000, -0.0011255800000000 ] - [ -0.0033991000000000, 0.0000035000000000, -0.0014041600000000 ] - [ -0.0033808700000000, 0.0000265400000000, -0.0013521300000000 ] - [ -0.0033939500000000, -0.0000142400000000, -0.0014026800000000 ] - [ -0.0033808700000000, -0.0000265400000000, -0.0013521300000000 ] - [ -0.0033939500000000, 0.0000142400000000, -0.0014026800000000 ] - [ -0.0031949900000000, -0.0001543800000000, -0.0013398400000000 ] - [ -0.0033375400000000, 0.0000138700000000, -0.0013821500000000 ] - [ -0.0031949900000000, 0.0001543800000000, -0.0013398400000000 ] - [ -0.0033375400000000, -0.0000138700000000, -0.0013821500000000 ] - [ -0.0000639000000000, 0.0032158700000000, -0.0011077300000000 ] - [ 0.0000614900000000, 0.0031789200000000, -0.0011779900000000 ] - [ 0.0000050200000000, 0.0031790000000000, -0.0011921000000000 ] - [ 0.0000039800000000, 0.0034027300000000, -0.0013763200000000 ] - [ 0.0000112000000000, 0.0033951300000000, -0.0013614700000000 ] - [ -0.0000706500000000, 0.0034073300000000, -0.0013612500000000 ] - [ -0.0000069900000000, 0.0034077600000000, -0.0014031600000000 ] - [ 0.0000070300000000, 0.0034031700000000, -0.0013877800000000 ] - [ 0.0031385000000000, 0.0047327400000000, 0.0002277300000000 ] - [ 0.0000849800000000, 0.0032878900000000, -0.0013637200000000 ] - [ -0.0000044700000000, 0.0032874500000000, -0.0012952400000000 ] - [ 0.0000002600000000, 0.0033433500000000, -0.0013372900000000 ] - [ -0.0000639000000000, -0.0032158700000000, -0.0011077300000000 ] - [ 0.0000614900000000, -0.0031789200000000, -0.0011779900000000 ] - [ 0.0000050200000000, -0.0031790000000000, -0.0011921000000000 ] - [ 0.0000039800000000, -0.0034027300000000, -0.0013763200000000 ] - [ 0.0000112000000000, -0.0033951300000000, -0.0013614700000000 ] - [ -0.0000706500000000, -0.0034073300000000, -0.0013612500000000 ] - [ -0.0000069900000000, -0.0034077600000000, -0.0014031600000000 ] - [ 0.0000070300000000, -0.0034031700000000, -0.0013877800000000 ] - [ 0.0031385000000000, -0.0047327400000000, 0.0002277300000000 ] - [ 0.0000849800000000, -0.0032878900000000, -0.0013637200000000 ] - [ -0.0000044700000000, -0.0032874500000000, -0.0012952400000000 ] - [ 0.0000002600000000, -0.0033433500000000, -0.0013372900000000 ] - [ -0.1319459600000000, 0.0000000000000000, -0.0797439400000000 ] - [ 0.0001088900000000, 0.0000000000000000, 0.0001941000000000 ] - [ 0.0000340800000000, 0.0000000000000000, -0.0001882600000000 ] - [ -0.0000168800000000, 0.0000000000000000, 0.0000945900000000 ] - [ 0.0006037100000000, 0.0000000000000000, -0.0001136500000000 ] - [ -0.0010023900000000, 0.0000000000000000, -0.0002521800000000 ] - [ 0.0000541300000000, 0.0000000000000000, -0.0001132200000000 ] - [ -0.0000484800000000, 0.0000000000000000, 0.0000661600000000 ] - [ 0.0000141800000000, 0.0000000000000000, -0.0003807800000000 ] - [ -0.0000480800000000, 0.0000000000000000, 0.0000653200000000 ] - [ 0.0000299800000000, 0.0000000000000000, -0.0001630000000000 ] - [ -0.0000252200000000, 0.0000000000000000, 0.0000218600000000 ] - [ -0.0002077100000000, -0.0000153100000000, 0.0000297200000000 ] - [ 0.0003382200000000, -0.0001994700000000, 0.0000568200000000 ] - [ -0.0002077100000000, 0.0000153100000000, 0.0000297200000000 ] - [ 0.0003382200000000, 0.0001994700000000, 0.0000568200000000 ] - [ -0.0000420600000000, 0.0000539300000000, 0.0000203800000000 ] - [ 0.0001135200000000, 0.0007607600000000, -0.0002843600000000 ] - [ -0.0000420600000000, -0.0000539300000000, 0.0000203800000000 ] - [ 0.0001135200000000, -0.0007607600000000, -0.0002843600000000 ] - [ -0.0001144700000000, 0.0000345000000000, -0.0000460600000000 ] - [ 0.0001344500000000, 0.0000738400000000, -0.0000832000000000 ] - [ -0.0001144700000000, -0.0000345000000000, -0.0000460600000000 ] - [ 0.0001344500000000, -0.0000738400000000, -0.0000832000000000 ] - [ -0.0000717700000000, 0.0003601600000000, -0.0024329900000000 ] - [ 0.0001329000000000, -0.0001388700000000, -0.0020628700000000 ] - [ -0.0000717700000000, -0.0003601600000000, -0.0024329900000000 ] - [ 0.0001329000000000, 0.0001388700000000, -0.0020628700000000 ] - [ -0.0000639400000000, -0.0000665400000000, -0.0018516800000000 ] - [ 0.0000710400000000, -0.0000849500000000, -0.0018016300000000 ] - [ -0.0000639400000000, 0.0000665400000000, -0.0018516800000000 ] - [ 0.0000710400000000, 0.0000849500000000, -0.0018016300000000 ] - [ -0.0000609300000000, 0.0006343700000000, -0.0014675700000000 ] - [ 0.0000078800000000, -0.0000028100000000, -0.0019954300000000 ] - [ -0.0000609300000000, -0.0006343700000000, -0.0014675700000000 ] - [ 0.0000078800000000, 0.0000028100000000, -0.0019954300000000 ] - [ 0.0000567500000000, 0.0000000000000000, 0.0020612100000000 ] - [ 0.0016245900000000, 0.0000000000000000, 0.0039751500000000 ] - [ 0.0000942900000000, 0.0000000000000000, 0.0019185600000000 ] - [ -0.0000893700000000, 0.0000000000000000, 0.0018714200000000 ] - [ 0.0000816300000000, 0.0000000000000000, 0.0021646500000000 ] - [ -0.0000751900000000, 0.0000000000000000, 0.0022462400000000 ] - [ 0.0000689500000000, 0.0000000000000000, 0.0019791600000000 ] - [ -0.0000694700000000, 0.0000000000000000, 0.0021447000000000 ] - [ -0.0002745200000000, 0.0000000000000000, 0.0011874200000000 ] - [ -0.0020162100000000, 0.0000000000000000, 0.0038187200000000 ] - [ 0.0000793100000000, 0.0000000000000000, 0.0019650300000000 ] - [ -0.0000887600000000, 0.0000000000000000, 0.0018523900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029211700000000, -0.0211117800000000, 0.0010819000000000 ] - [ 0.0033545500000000, 0.0000129500000000, 0.0013493600000000 ] - [ 0.0033548200000000, 0.0000399500000000, 0.0013497000000000 ] - [ 0.0033542800000000, -0.0000012500000000, 0.0013493500000000 ] - [ 0.0033570200000000, 0.0000092000000000, 0.0013557900000000 ] - [ 0.0033572900000000, -0.0000243400000000, 0.0013555600000000 ] - [ 0.0033572600000000, 0.0000286500000000, 0.0013558300000000 ] - [ 0.0033570700000000, 0.0000022700000000, 0.0013559000000000 ] - [ 0.0033583500000000, 0.0000092000000000, 0.0013453600000000 ] - [ 0.0033590100000000, -0.0000243400000000, 0.0013459200000000 ] - [ 0.0033580700000000, 0.0000286900000000, 0.0013450700000000 ] - [ 0.0033577800000000, 0.0000023000000000, 0.0013449200000000 ] - [ 0.0000113300000000, 0.0033864500000000, 0.0013821300000000 ] - [ -0.0002133500000000, 0.0034750900000000, 0.0013310400000000 ] - [ -0.0000226900000000, 0.0033221000000000, 0.0013296000000000 ] - [ 0.0000109200000000, 0.0033343200000000, 0.0014025900000000 ] - [ 0.0000048300000000, 0.0033703400000000, 0.0013572300000000 ] - [ -0.0000005300000000, 0.0034030500000000, 0.0013689500000000 ] - [ 0.0000005500000000, 0.0033494200000000, 0.0013516400000000 ] - [ -0.0000104400000000, 0.0033557400000000, 0.0013364100000000 ] - [ -0.0000102400000000, 0.0034033000000000, 0.0013838700000000 ] - [ -0.0000004100000000, 0.0033753200000000, 0.0013595200000000 ] - [ 0.0000003400000000, 0.0033316700000000, 0.0013328400000000 ] - [ 0.0000047000000000, 0.0033358500000000, 0.0013194400000000 ] - [ -0.0000110500000000, -0.0033231000000000, 0.0013170800000000 ] - [ 0.0002167900000000, -0.0032372000000000, 0.0013711700000000 ] - [ 0.0000225500000000, -0.0033870100000000, 0.0013692200000000 ] - [ -0.0000114500000000, -0.0033754500000000, 0.0012972100000000 ] - [ -0.0000046200000000, -0.0033441600000000, 0.0013548500000000 ] - [ 0.0000003100000000, -0.0033115100000000, 0.0013428200000000 ] - [ -0.0000001600000000, -0.0033650500000000, 0.0013600100000000 ] - [ 0.0000099400000000, -0.0033588000000000, 0.0013750200000000 ] - [ 0.0000101500000000, -0.0033135200000000, 0.0013069900000000 ] - [ 0.0000004100000000, -0.0033419600000000, 0.0013314900000000 ] - [ -0.0000003500000000, -0.0033843800000000, 0.0013571800000000 ] - [ -0.0000047900000000, -0.0033800900000000, 0.0013703200000000 ] - [ -0.0033548800000000, 0.0002841400000000, 0.0013481200000000 ] - [ -0.0033554400000000, 0.0000006000000000, 0.0013504000000000 ] - [ -0.0033550000000000, 0.0000390200000000, 0.0013499700000000 ] - [ -0.0033541900000000, 0.0000019400000000, 0.0013493300000000 ] - [ -0.0033572500000000, 0.0000081000000000, 0.0013559800000000 ] - [ -0.0033562200000000, -0.0000039800000000, 0.0013557000000000 ] - [ -0.0033573900000000, 0.0000301900000000, 0.0013560500000000 ] - [ -0.0033570700000000, 0.0000019600000000, 0.0013559900000000 ] - [ -0.0033583200000000, 0.0000080800000000, 0.0013457100000000 ] - [ -0.0033590000000000, -0.0000039800000000, 0.0013458300000000 ] - [ -0.0033581500000000, 0.0000302300000000, 0.0013452100000000 ] - [ -0.0033577600000000, 0.0000019800000000, 0.0013449800000000 ] - [ 0.0033288600000000, 0.0000090800000000, -0.0013220500000000 ] - [ 0.0033715500000000, 0.0000089900000000, -0.0013663000000000 ] - [ 0.0033853100000000, 0.0000089900000000, -0.0013663000000000 ] - [ 0.0033442900000000, 0.0000090600000000, -0.0013240700000000 ] - [ 0.0033651700000000, -0.0000065800000000, -0.0013739700000000 ] - [ 0.0033495900000000, -0.0000066300000000, -0.0013669700000000 ] - [ 0.0033487200000000, -0.0000064600000000, -0.0013378000000000 ] - [ 0.0033642900000000, -0.0000064300000000, -0.0013449400000000 ] - [ 0.0032408200000000, -0.0000553000000000, -0.0012848900000000 ] - [ 0.0033122600000000, -0.0000553500000000, -0.0013500100000000 ] - [ 0.0034678000000000, -0.0000556300000000, -0.0014135800000000 ] - [ 0.0033972300000000, -0.0000556200000000, -0.0013499600000000 ] - [ -0.0033299900000000, 0.0000109800000000, -0.0013301600000000 ] - [ -0.0033545000000000, 0.0000002000000000, -0.0013474100000000 ] - [ -0.0033845800000000, 0.0000112400000000, -0.0013583600000000 ] - [ -0.0033615000000000, 0.0000002900000000, -0.0013428600000000 ] - [ -0.0033833500000000, 0.0000056800000000, -0.0013690800000000 ] - [ -0.0033429900000000, -0.0000062500000000, -0.0013625400000000 ] - [ -0.0033304000000000, 0.0000058800000000, -0.0013423800000000 ] - [ -0.0033710200000000, -0.0000061200000000, -0.0013491700000000 ] - [ -0.0031987400000000, -0.0000431000000000, -0.0012386600000000 ] - [ -0.0033689800000000, 0.0000206800000000, -0.0013949000000000 ] - [ -0.0035109800000000, -0.0000432300000000, -0.0014605500000000 ] - [ -0.0033401300000000, 0.0000212200000000, -0.0013037400000000 ] - [ -0.0000009700000000, 0.0034214000000000, -0.0013817800000000 ] - [ 0.0000043200000000, 0.0033524700000000, -0.0013422900000000 ] - [ 0.0000042800000000, 0.0032955900000000, -0.0012615600000000 ] - [ 0.0000003500000000, 0.0033542500000000, -0.0013396000000000 ] - [ -0.0000020900000000, 0.0033458000000000, -0.0013548200000000 ] - [ 0.0000039000000000, 0.0033638700000000, -0.0013605600000000 ] - [ 0.0000038400000000, 0.0034273800000000, -0.0013503700000000 ] - [ -0.0000006900000000, 0.0033501100000000, -0.0013494300000000 ] - [ -0.0079005800000000, 0.0002212300000000, -0.0040447100000000 ] - [ 0.0000067400000000, 0.0033589500000000, -0.0013532000000000 ] - [ 0.0000065400000000, 0.0032687500000000, -0.0012413500000000 ] - [ -0.0000020900000000, 0.0033544300000000, -0.0013489000000000 ] - [ 0.0000010200000000, -0.0032920200000000, -0.0013068300000000 ] - [ -0.0000039800000000, -0.0033623300000000, -0.0013466600000000 ] - [ -0.0000040200000000, -0.0034195700000000, -0.0014280200000000 ] - [ -0.0000003800000000, -0.0033621500000000, -0.0013507900000000 ] - [ 0.0000020400000000, -0.0033673300000000, -0.0013567800000000 ] - [ -0.0000037900000000, -0.0033495300000000, -0.0013511700000000 ] - [ -0.0000038500000000, -0.0032871400000000, -0.0013616100000000 ] - [ 0.0000006800000000, -0.0033642000000000, -0.0013624200000000 ] - [ 0.0078545400000000, -0.0064971300000000, 0.0012511200000000 ] - [ -0.0000064600000000, -0.0033496300000000, -0.0013456000000000 ] - [ -0.0000066400000000, -0.0034408900000000, -0.0014582200000000 ] - [ 0.0000020400000000, -0.0033548600000000, -0.0013501600000000 ] - [ 0.0004787100000000, 0.0225307200000000, 0.0003533200000000 ] - [ 0.0000001200000000, -0.0000282400000000, -0.0000006500000000 ] - [ 0.0000003600000000, -0.0000696400000000, -0.0000008200000000 ] - [ -0.0000000900000000, -0.0000084200000000, 0.0000003500000000 ] - [ 0.0000011700000000, -0.0001137800000000, -0.0000028800000000 ] - [ -0.0000023900000000, 0.0001031400000000, -0.0000008800000000 ] - [ 0.0000001400000000, -0.0000212400000000, 0.0000004500000000 ] - [ -0.0000000600000000, -0.0000149000000000, 0.0000005000000000 ] - [ 0.0000000800000000, 0.0002161300000000, 0.0000005200000000 ] - [ -0.0000003400000000, 0.0000028200000000, -0.0000009900000000 ] - [ -0.0000000200000000, -0.0004175800000000, 0.0000000500000000 ] - [ -0.0000000200000000, -0.0000059500000000, 0.0000002500000000 ] - [ -0.0001552900000000, -0.0001208000000000, -0.0000001500000000 ] - [ -0.0000030600000000, 0.0003337700000000, 0.0001469000000000 ] - [ 0.0001544500000000, -0.0001231500000000, -0.0000021500000000 ] - [ 0.0000070500000000, 0.0003392300000000, -0.0001526100000000 ] - [ 0.0000003700000000, -0.0000037600000000, -0.0000135200000000 ] - [ -0.0000611600000000, -0.0000703600000000, -0.0000300800000000 ] - [ -0.0000008000000000, -0.0000048500000000, 0.0000133300000000 ] - [ 0.0000617200000000, -0.0000726300000000, 0.0000301600000000 ] - [ -0.0001015800000000, -0.0000012400000000, -0.0000699400000000 ] - [ 0.0001132200000000, 0.0000188300000000, -0.0000415700000000 ] - [ 0.0001009600000000, -0.0000016700000000, 0.0000695800000000 ] - [ -0.0001128500000000, 0.0000184900000000, 0.0000410600000000 ] - [ 0.0003488400000000, 0.0011790700000000, -0.0023542300000000 ] - [ 0.0000224900000000, 0.0000043500000000, -0.0019623700000000 ] - [ -0.0003466800000000, 0.0011886200000000, -0.0015570800000000 ] - [ -0.0000229500000000, 0.0000050600000000, -0.0019536600000000 ] - [ 0.0000084100000000, 0.0000152100000000, -0.0019479100000000 ] - [ -0.0000071300000000, 0.0000032800000000, -0.0019403900000000 ] - [ -0.0000084400000000, 0.0000159500000000, -0.0019536100000000 ] - [ 0.0000073000000000, 0.0000041600000000, -0.0019607300000000 ] - [ -0.0001059200000000, 0.0009620300000000, -0.0011956100000000 ] - [ 0.0000119100000000, -0.0000084300000000, -0.0019731000000000 ] - [ 0.0001064300000000, 0.0009577300000000, -0.0027183400000000 ] - [ -0.0000121000000000, -0.0000077500000000, -0.0019467900000000 ] - [ -0.0000005900000000, -0.0000370000000000, 0.0019610100000000 ] - [ 0.0000003100000000, 0.0007287500000000, 0.0019592100000000 ] - [ 0.0000006000000000, 0.0000471000000000, 0.0019601400000000 ] - [ -0.0000003400000000, 0.0000166900000000, 0.0019599400000000 ] - [ 0.0000003300000000, -0.0000264300000000, 0.0019507200000000 ] - [ -0.0000001900000000, -0.0000361800000000, 0.0019506700000000 ] - [ 0.0000001500000000, 0.0000143700000000, 0.0019504400000000 ] - [ -0.0000002300000000, 0.0000559400000000, 0.0019504400000000 ] - [ -0.0000034100000000, -0.0006048300000000, 0.0019565800000000 ] - [ -0.0000016800000000, -0.0001284200000000, 0.0019578800000000 ] - [ 0.0000002100000000, 0.0000558300000000, 0.0019580500000000 ] - [ -0.0000002300000000, -0.0000132600000000, 0.0019583400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0701567500000000, 0.0000000000000000, -0.0718055700000000 ] - [ 0.0034820900000000, 0.0000000000000000, 0.0015263800000000 ] - [ 0.0032934200000000, 0.0000000000000000, 0.0012956400000000 ] - [ 0.0033951200000000, 0.0000000000000000, 0.0013904400000000 ] - [ 0.0034347400000000, 0.0000000000000000, 0.0014215500000000 ] - [ 0.0033310500000000, 0.0000000000000000, 0.0014822800000000 ] - [ 0.0032805400000000, 0.0000000000000000, 0.0013469200000000 ] - [ 0.0033800500000000, 0.0000000000000000, 0.0013721200000000 ] - [ 0.0034391600000000, 0.0000000000000000, 0.0014093600000000 ] - [ 0.0035678300000000, 0.0000000000000000, 0.0014726200000000 ] - [ 0.0033534000000000, 0.0000000000000000, 0.0013355000000000 ] - [ 0.0033830700000000, 0.0000000000000000, 0.0013611300000000 ] - [ 0.0000526600000000, 0.0034526700000000, 0.0013748900000000 ] - [ -0.0000207300000000, 0.0026410400000000, 0.0006088000000000 ] - [ -0.0000201000000000, 0.0033533000000000, 0.0013106000000000 ] - [ 0.0000329000000000, 0.0033100900000000, 0.0013761700000000 ] - [ -0.0000255400000000, 0.0033046500000000, 0.0013350400000000 ] - [ 0.0000141700000000, 0.0034556800000000, 0.0014421600000000 ] - [ -0.0000122800000000, 0.0033614400000000, 0.0013502200000000 ] - [ 0.0000387900000000, 0.0033240900000000, 0.0014199400000000 ] - [ -0.0000195600000000, 0.0034612000000000, 0.0014096100000000 ] - [ 0.0000132100000000, 0.0034645000000000, 0.0014304400000000 ] - [ -0.0000042100000000, 0.0033774100000000, 0.0013389600000000 ] - [ 0.0000013500000000, 0.0033535200000000, 0.0013240200000000 ] - [ 0.0000526600000000, -0.0034526700000000, 0.0013748900000000 ] - [ -0.0000207300000000, -0.0026410400000000, 0.0006088000000000 ] - [ -0.0000201000000000, -0.0033533000000000, 0.0013106000000000 ] - [ 0.0000329000000000, -0.0033100900000000, 0.0013761700000000 ] - [ -0.0000255400000000, -0.0033046500000000, 0.0013350400000000 ] - [ 0.0000141700000000, -0.0034556800000000, 0.0014421600000000 ] - [ -0.0000122800000000, -0.0033614400000000, 0.0013502200000000 ] - [ 0.0000387900000000, -0.0033240900000000, 0.0014199400000000 ] - [ -0.0000195600000000, -0.0034612000000000, 0.0014096100000000 ] - [ 0.0000132100000000, -0.0034645000000000, 0.0014304400000000 ] - [ -0.0000042100000000, -0.0033774100000000, 0.0013389600000000 ] - [ 0.0000013500000000, -0.0033535200000000, 0.0013240200000000 ] - [ -0.0084117600000000, 0.0000000000000000, -0.0065249100000000 ] - [ -0.0028136300000000, 0.0000000000000000, 0.0007532600000000 ] - [ -0.0033219200000000, 0.0000000000000000, 0.0013258200000000 ] - [ -0.0033640500000000, 0.0000000000000000, 0.0013578400000000 ] - [ -0.0033487000000000, 0.0000000000000000, 0.0013813300000000 ] - [ -0.0036750600000000, 0.0000000000000000, 0.0014373400000000 ] - [ -0.0032997100000000, 0.0000000000000000, 0.0013722700000000 ] - [ -0.0033578000000000, 0.0000000000000000, 0.0013495200000000 ] - [ -0.0034020600000000, 0.0000000000000000, 0.0013713500000000 ] - [ -0.0035035000000000, 0.0000000000000000, 0.0014252700000000 ] - [ -0.0033710800000000, 0.0000000000000000, 0.0013607200000000 ] - [ -0.0033660300000000, 0.0000000000000000, 0.0013385400000000 ] - [ 0.0034390000000000, -0.0000212000000000, -0.0014265500000000 ] - [ 0.0034680600000000, 0.0000223000000000, -0.0014264800000000 ] - [ 0.0034390000000000, 0.0000212000000000, -0.0014265500000000 ] - [ 0.0034680600000000, -0.0000223000000000, -0.0014264800000000 ] - [ 0.0033211800000000, -0.0000111500000000, -0.0013510600000000 ] - [ 0.0033420400000000, -0.0000179300000000, -0.0013509000000000 ] - [ 0.0033211800000000, 0.0000111500000000, -0.0013510600000000 ] - [ 0.0033420400000000, 0.0000179300000000, -0.0013509000000000 ] - [ 0.0032878800000000, 0.0000005100000000, -0.0013021300000000 ] - [ 0.0034122500000000, 0.0000651100000000, -0.0013014400000000 ] - [ 0.0032878800000000, -0.0000005100000000, -0.0013021300000000 ] - [ 0.0034122500000000, -0.0000651100000000, -0.0013014400000000 ] - [ -0.0035816600000000, 0.0000142400000000, -0.0015501600000000 ] - [ -0.0032975700000000, -0.0000022500000000, -0.0012709700000000 ] - [ -0.0035816600000000, -0.0000142400000000, -0.0015501600000000 ] - [ -0.0032975700000000, 0.0000022500000000, -0.0012709700000000 ] - [ -0.0033605200000000, -0.0000133400000000, -0.0013625900000000 ] - [ -0.0033090200000000, -0.0000067500000000, -0.0013266700000000 ] - [ -0.0033605200000000, 0.0000133400000000, -0.0013625900000000 ] - [ -0.0033090200000000, 0.0000067500000000, -0.0013266700000000 ] - [ -0.0033652800000000, 0.0001120700000000, -0.0012697900000000 ] - [ -0.0033208200000000, -0.0000457000000000, -0.0013027600000000 ] - [ -0.0033652800000000, -0.0001120700000000, -0.0012697900000000 ] - [ -0.0033208200000000, 0.0000457000000000, -0.0013027600000000 ] - [ 0.0000375400000000, 0.0035996500000000, -0.0015359500000000 ] - [ -0.0000840800000000, 0.0035144800000000, -0.0014930300000000 ] - [ -0.0000022600000000, 0.0035277700000000, -0.0014921900000000 ] - [ -0.0000057700000000, 0.0033261100000000, -0.0013187600000000 ] - [ -0.0000008800000000, 0.0033507300000000, -0.0013694400000000 ] - [ -0.0000061600000000, 0.0033087600000000, -0.0013520800000000 ] - [ 0.0000046600000000, 0.0033510900000000, -0.0013517000000000 ] - [ -0.0000066100000000, 0.0033242700000000, -0.0013328000000000 ] - [ 0.0025865100000000, 0.0049153400000000, 0.0000498700000000 ] - [ -0.0001095700000000, 0.0034096100000000, -0.0013369300000000 ] - [ 0.0000037800000000, 0.0033409400000000, -0.0013378900000000 ] - [ -0.0000008100000000, 0.0033669600000000, -0.0013623900000000 ] - [ 0.0000375400000000, -0.0035996500000000, -0.0015359500000000 ] - [ -0.0000840800000000, -0.0035144800000000, -0.0014930300000000 ] - [ -0.0000022600000000, -0.0035277700000000, -0.0014921900000000 ] - [ -0.0000057700000000, -0.0033261100000000, -0.0013187600000000 ] - [ -0.0000008800000000, -0.0033507300000000, -0.0013694400000000 ] - [ -0.0000061600000000, -0.0033087600000000, -0.0013520800000000 ] - [ 0.0000046600000000, -0.0033510900000000, -0.0013517000000000 ] - [ -0.0000066100000000, -0.0033242700000000, -0.0013328000000000 ] - [ 0.0025865100000000, -0.0049153400000000, 0.0000498700000000 ] - [ -0.0001095700000000, -0.0034096100000000, -0.0013369300000000 ] - [ 0.0000037800000000, -0.0033409400000000, -0.0013378900000000 ] - [ -0.0000008100000000, -0.0033669600000000, -0.0013623900000000 ] - [ 0.0773258700000000, 0.0000000000000000, 0.0776583800000000 ] - [ -0.0000461000000000, 0.0000000000000000, -0.0000741100000000 ] - [ -0.0000321700000000, 0.0000000000000000, 0.0001996900000000 ] - [ 0.0000152900000000, 0.0000000000000000, -0.0000629400000000 ] - [ -0.0007350800000000, 0.0000000000000000, 0.0003250500000000 ] - [ 0.0012045800000000, 0.0000000000000000, 0.0003673200000000 ] - [ -0.0000625400000000, 0.0000000000000000, 0.0000781900000000 ] - [ 0.0000531300000000, 0.0000000000000000, -0.0000554700000000 ] - [ -0.0000650100000000, 0.0000000000000000, 0.0000260200000000 ] - [ 0.0000078900000000, 0.0000000000000000, -0.0000260800000000 ] - [ -0.0000266300000000, 0.0000000000000000, 0.0000051000000000 ] - [ 0.0000301500000000, 0.0000000000000000, -0.0000050300000000 ] - [ 0.0002428000000000, 0.0002339700000000, -0.0000186100000000 ] - [ -0.0003429900000000, 0.0004020300000000, 0.0001770500000000 ] - [ 0.0002428000000000, -0.0002339700000000, -0.0000186100000000 ] - [ -0.0003429900000000, -0.0004020300000000, 0.0001770500000000 ] - [ 0.0000020100000000, 0.0000865000000000, -0.0000710600000000 ] - [ -0.0000843900000000, -0.0006551700000000, 0.0003238600000000 ] - [ 0.0000020100000000, -0.0000865000000000, -0.0000710600000000 ] - [ -0.0000843900000000, 0.0006551700000000, 0.0003238600000000 ] - [ 0.0000115200000000, -0.0000335900000000, -0.0000157100000000 ] - [ -0.0000091600000000, -0.0000290600000000, 0.0000531500000000 ] - [ 0.0000115200000000, 0.0000335900000000, -0.0000157100000000 ] - [ -0.0000091600000000, 0.0000290600000000, 0.0000531500000000 ] - [ -0.0000910300000000, -0.0010048800000000, -0.0013579100000000 ] - [ -0.0001463500000000, 0.0001143900000000, -0.0018677100000000 ] - [ -0.0000910300000000, 0.0010048800000000, -0.0013579100000000 ] - [ -0.0001463500000000, -0.0001143900000000, -0.0018677100000000 ] - [ 0.0000726800000000, 0.0000626700000000, -0.0019791400000000 ] - [ -0.0000848000000000, 0.0000597800000000, -0.0020517800000000 ] - [ 0.0000726800000000, -0.0000626700000000, -0.0019791400000000 ] - [ -0.0000848000000000, -0.0000597800000000, -0.0020517800000000 ] - [ 0.0000101000000000, 0.0002038900000000, -0.0018852200000000 ] - [ -0.0000399000000000, -0.0000029700000000, -0.0019575100000000 ] - [ 0.0000101000000000, -0.0002038900000000, -0.0018852200000000 ] - [ -0.0000399000000000, 0.0000029700000000, -0.0019575100000000 ] - [ -0.0007537900000000, 0.0000000000000000, 0.0028402700000000 ] - [ -0.0021922800000000, 0.0000000000000000, 0.0009187000000000 ] - [ -0.0000762000000000, 0.0000000000000000, 0.0019994600000000 ] - [ 0.0000727600000000, 0.0000000000000000, 0.0020443300000000 ] - [ -0.0000458900000000, 0.0000000000000000, 0.0017586200000000 ] - [ -0.0000177100000000, 0.0000000000000000, 0.0017571700000000 ] - [ -0.0000344900000000, 0.0000000000000000, 0.0019695700000000 ] - [ 0.0000312800000000, 0.0000000000000000, 0.0018356900000000 ] - [ -0.0001673900000000, 0.0000000000000000, 0.0012320800000000 ] - [ -0.0005261700000000, 0.0000000000000000, 0.0025661800000000 ] - [ -0.0000278800000000, 0.0000000000000000, 0.0018987400000000 ] - [ 0.0000338400000000, 0.0000000000000000, 0.0019953100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0798109600000000, 0.0000000000000000, 0.0754500900000000 ] - [ 0.0032260400000000, 0.0000000000000000, 0.0011735900000000 ] - [ 0.0034140500000000, 0.0000000000000000, 0.0014022600000000 ] - [ 0.0033143700000000, 0.0000000000000000, 0.0013091300000000 ] - [ 0.0032814600000000, 0.0000000000000000, 0.0012918900000000 ] - [ 0.0033856800000000, 0.0000000000000000, 0.0012331100000000 ] - [ 0.0034323500000000, 0.0000000000000000, 0.0013645000000000 ] - [ 0.0033347900000000, 0.0000000000000000, 0.0013400900000000 ] - [ 0.0032751000000000, 0.0000000000000000, 0.0012796500000000 ] - [ 0.0031545000000000, 0.0000000000000000, 0.0012235000000000 ] - [ 0.0033612200000000, 0.0000000000000000, 0.0013531000000000 ] - [ 0.0033332900000000, 0.0000000000000000, 0.0013291200000000 ] - [ -0.0000526900000000, 0.0032544000000000, 0.0013221900000000 ] - [ 0.0000192900000000, 0.0040568600000000, 0.0020782500000000 ] - [ 0.0000193500000000, 0.0033554200000000, 0.0013880000000000 ] - [ -0.0000322000000000, 0.0033979000000000, 0.0013234500000000 ] - [ 0.0000251600000000, 0.0034093700000000, 0.0013766800000000 ] - [ -0.0000139500000000, 0.0032600200000000, 0.0012711000000000 ] - [ 0.0000117700000000, 0.0033528600000000, 0.0013620000000000 ] - [ -0.0000381500000000, 0.0033898700000000, 0.0012929100000000 ] - [ 0.0000189200000000, 0.0032575100000000, 0.0012826000000000 ] - [ -0.0000130200000000, 0.0032513000000000, 0.0012594400000000 ] - [ 0.0000040500000000, 0.0033386600000000, 0.0013507400000000 ] - [ -0.0000012400000000, 0.0033622100000000, 0.0013656900000000 ] - [ -0.0000526900000000, -0.0032544000000000, 0.0013221900000000 ] - [ 0.0000192900000000, -0.0040568600000000, 0.0020782500000000 ] - [ 0.0000193500000000, -0.0033554200000000, 0.0013880000000000 ] - [ -0.0000322000000000, -0.0033979000000000, 0.0013234500000000 ] - [ 0.0000251600000000, -0.0034093700000000, 0.0013766800000000 ] - [ -0.0000139500000000, -0.0032600200000000, 0.0012711000000000 ] - [ 0.0000117700000000, -0.0033528600000000, 0.0013620000000000 ] - [ -0.0000381500000000, -0.0033898700000000, 0.0012929100000000 ] - [ 0.0000189200000000, -0.0032575100000000, 0.0012826000000000 ] - [ -0.0000130200000000, -0.0032513000000000, 0.0012594400000000 ] - [ 0.0000040500000000, -0.0033386600000000, 0.0013507400000000 ] - [ -0.0000012400000000, -0.0033622100000000, 0.0013656900000000 ] - [ 0.0017160000000000, 0.0000000000000000, 0.0092743600000000 ] - [ -0.0038854100000000, 0.0000000000000000, 0.0019335300000000 ] - [ -0.0033863100000000, 0.0000000000000000, 0.0013730800000000 ] - [ -0.0033445900000000, 0.0000000000000000, 0.0013409900000000 ] - [ -0.0033650600000000, 0.0000000000000000, 0.0013313700000000 ] - [ -0.0030457600000000, 0.0000000000000000, 0.0012772300000000 ] - [ -0.0034137700000000, 0.0000000000000000, 0.0013400300000000 ] - [ -0.0033567100000000, 0.0000000000000000, 0.0013624600000000 ] - [ -0.0033149300000000, 0.0000000000000000, 0.0013214100000000 ] - [ -0.0032135200000000, 0.0000000000000000, 0.0012652200000000 ] - [ -0.0033439100000000, 0.0000000000000000, 0.0013284900000000 ] - [ -0.0033500700000000, 0.0000000000000000, 0.0013515200000000 ] - [ 0.0032784700000000, 0.0000209600000000, -0.0012651800000000 ] - [ 0.0032495900000000, -0.0000219400000000, -0.0012650600000000 ] - [ 0.0032784700000000, -0.0000209600000000, -0.0012651800000000 ] - [ 0.0032495900000000, 0.0000219400000000, -0.0012650600000000 ] - [ 0.0033917000000000, 0.0000108300000000, -0.0013603100000000 ] - [ 0.0033714700000000, 0.0000181400000000, -0.0013601400000000 ] - [ 0.0033917000000000, -0.0000108300000000, -0.0013603100000000 ] - [ 0.0033714700000000, -0.0000181400000000, -0.0013601400000000 ] - [ 0.0034226000000000, 0.0000006400000000, -0.0013974100000000 ] - [ 0.0032982900000000, -0.0000636200000000, -0.0013967000000000 ] - [ 0.0034226000000000, -0.0000006400000000, -0.0013974100000000 ] - [ 0.0032982900000000, 0.0000636200000000, -0.0013967000000000 ] - [ -0.0031380000000000, -0.0000139100000000, -0.0011432900000000 ] - [ -0.0034175000000000, 0.0000023400000000, -0.0014180000000000 ] - [ -0.0031380000000000, 0.0000139100000000, -0.0011432900000000 ] - [ -0.0034175000000000, -0.0000023400000000, -0.0014180000000000 ] - [ -0.0033530600000000, 0.0000133500000000, -0.0013486800000000 ] - [ -0.0034037400000000, 0.0000065300000000, -0.0013839100000000 ] - [ -0.0033530600000000, -0.0000133500000000, -0.0013486800000000 ] - [ -0.0034037400000000, -0.0000065300000000, -0.0013839100000000 ] - [ -0.0033466700000000, -0.0001097000000000, -0.0014296500000000 ] - [ -0.0033878900000000, 0.0000453300000000, -0.0013949100000000 ] - [ -0.0033466700000000, 0.0001097000000000, -0.0014296500000000 ] - [ -0.0033878900000000, -0.0000453300000000, -0.0013949100000000 ] - [ -0.0000372500000000, 0.0031208600000000, -0.0011574300000000 ] - [ 0.0000826400000000, 0.0032057100000000, -0.0012010500000000 ] - [ 0.0000022500000000, 0.0031909100000000, -0.0012002700000000 ] - [ 0.0000056400000000, 0.0033890800000000, -0.0013707000000000 ] - [ 0.0000012300000000, 0.0033618800000000, -0.0013419100000000 ] - [ 0.0000051700000000, 0.0034038400000000, -0.0013594500000000 ] - [ -0.0000045600000000, 0.0033619500000000, -0.0013590800000000 ] - [ 0.0000065100000000, 0.0033887400000000, -0.0013781200000000 ] - [ -0.0027094100000000, 0.0017828100000000, -0.0027926000000000 ] - [ 0.0001074000000000, 0.0033008200000000, -0.0013613500000000 ] - [ -0.0000036500000000, 0.0033696200000000, -0.0013623200000000 ] - [ 0.0000007000000000, 0.0033423700000000, -0.0013367300000000 ] - [ -0.0000372500000000, -0.0031208600000000, -0.0011574300000000 ] - [ 0.0000826400000000, -0.0032057100000000, -0.0012010500000000 ] - [ 0.0000022500000000, -0.0031909100000000, -0.0012002700000000 ] - [ 0.0000056400000000, -0.0033890800000000, -0.0013707000000000 ] - [ 0.0000012300000000, -0.0033618800000000, -0.0013419100000000 ] - [ 0.0000051700000000, -0.0034038400000000, -0.0013594500000000 ] - [ -0.0000045600000000, -0.0033619500000000, -0.0013590800000000 ] - [ 0.0000065100000000, -0.0033887400000000, -0.0013781200000000 ] - [ -0.0027094100000000, -0.0017828100000000, -0.0027926000000000 ] - [ 0.0001074000000000, -0.0033008200000000, -0.0013613500000000 ] - [ -0.0000036500000000, -0.0033696200000000, -0.0013623200000000 ] - [ 0.0000007000000000, -0.0033423700000000, -0.0013367300000000 ] - [ -0.0799299800000000, 0.0000000000000000, -0.0784972900000000 ] - [ 0.0000490200000000, 0.0000000000000000, 0.0000705300000000 ] - [ 0.0000316800000000, 0.0000000000000000, -0.0001975700000000 ] - [ -0.0000153900000000, 0.0000000000000000, 0.0000612600000000 ] - [ 0.0007222800000000, 0.0000000000000000, -0.0003147800000000 ] - [ -0.0011867300000000, 0.0000000000000000, -0.0003574900000000 ] - [ 0.0000619100000000, 0.0000000000000000, -0.0000759800000000 ] - [ -0.0000523100000000, 0.0000000000000000, 0.0000546000000000 ] - [ 0.0000646000000000, 0.0000000000000000, -0.0000195000000000 ] - [ -0.0000081100000000, 0.0000000000000000, 0.0000244300000000 ] - [ 0.0000260700000000, 0.0000000000000000, -0.0000021700000000 ] - [ -0.0000296000000000, 0.0000000000000000, 0.0000048800000000 ] - [ -0.0002385200000000, -0.0002293400000000, 0.0000161400000000 ] - [ 0.0003370500000000, -0.0003964300000000, -0.0001726200000000 ] - [ -0.0002385200000000, 0.0002293400000000, 0.0000161400000000 ] - [ 0.0003370500000000, 0.0003964300000000, -0.0001726200000000 ] - [ -0.0000013900000000, -0.0000879000000000, 0.0000708100000000 ] - [ 0.0000826200000000, 0.0006432700000000, -0.0003165900000000 ] - [ -0.0000013900000000, 0.0000879000000000, 0.0000708100000000 ] - [ 0.0000826200000000, -0.0006432700000000, -0.0003165900000000 ] - [ -0.0000094900000000, 0.0000329200000000, 0.0000161000000000 ] - [ 0.0000068000000000, 0.0000280800000000, -0.0000515400000000 ] - [ -0.0000094900000000, -0.0000329200000000, 0.0000161000000000 ] - [ 0.0000068000000000, -0.0000280800000000, -0.0000515400000000 ] - [ 0.0000931800000000, 0.0010010100000000, -0.0025515200000000 ] - [ 0.0001436400000000, -0.0001113300000000, -0.0020461900000000 ] - [ 0.0000931800000000, -0.0010010100000000, -0.0025515200000000 ] - [ 0.0001436400000000, 0.0001113300000000, -0.0020461900000000 ] - [ -0.0000714800000000, -0.0000612500000000, -0.0019254400000000 ] - [ 0.0000835500000000, -0.0000581200000000, -0.0018533600000000 ] - [ -0.0000714800000000, 0.0000612500000000, -0.0019254400000000 ] - [ 0.0000835500000000, 0.0000581200000000, -0.0018533600000000 ] - [ -0.0000078800000000, -0.0002147100000000, -0.0020448900000000 ] - [ 0.0000386500000000, 0.0000026900000000, -0.0019630500000000 ] - [ -0.0000078800000000, 0.0002147100000000, -0.0020448900000000 ] - [ 0.0000386500000000, -0.0000026900000000, -0.0019630500000000 ] - [ 0.0007579500000000, 0.0000000000000000, 0.0010767200000000 ] - [ 0.0020889800000000, 0.0000000000000000, 0.0029620400000000 ] - [ 0.0000747400000000, 0.0000000000000000, 0.0019230400000000 ] - [ -0.0000715200000000, 0.0000000000000000, 0.0018783500000000 ] - [ 0.0000436500000000, 0.0000000000000000, 0.0021372200000000 ] - [ 0.0000182600000000, 0.0000000000000000, 0.0021392600000000 ] - [ 0.0000333200000000, 0.0000000000000000, 0.0019310600000000 ] - [ -0.0000302700000000, 0.0000000000000000, 0.0020633000000000 ] - [ 0.0001378200000000, 0.0000000000000000, 0.0026742200000000 ] - [ 0.0005478400000000, 0.0000000000000000, 0.0013404400000000 ] - [ 0.0000264800000000, 0.0000000000000000, 0.0020177500000000 ] - [ -0.0000324400000000, 0.0000000000000000, 0.0019226300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1352618000000000, 0.0000000000000000, 0.0822387300000000 ] - [ 0.0032513900000000, 0.0000000000000000, 0.0013049200000000 ] - [ 0.0033182800000000, 0.0000000000000000, 0.0013152000000000 ] - [ 0.0033732400000000, 0.0000000000000000, 0.0013657600000000 ] - [ 0.0033372300000000, 0.0000000000000000, 0.0012896900000000 ] - [ 0.0034049300000000, 0.0000000000000000, 0.0013628700000000 ] - [ 0.0033222000000000, 0.0000000000000000, 0.0013290800000000 ] - [ 0.0033825800000000, 0.0000000000000000, 0.0013854400000000 ] - [ 0.0027403000000000, 0.0000000000000000, 0.0006123300000000 ] - [ 0.0043652900000000, 0.0000000000000000, 0.0025368200000000 ] - [ 0.0033040000000000, 0.0000000000000000, 0.0012840300000000 ] - [ 0.0034077500000000, 0.0000000000000000, 0.0013981800000000 ] - [ 0.0003359100000000, 0.0031543400000000, 0.0009515500000000 ] - [ 0.0003372000000000, 0.0035583900000000, 0.0017501000000000 ] - [ -0.0001220400000000, 0.0033361000000000, 0.0011184800000000 ] - [ -0.0001219600000000, 0.0033737600000000, 0.0015818200000000 ] - [ 0.0000175100000000, 0.0034295700000000, 0.0013833200000000 ] - [ 0.0000196200000000, 0.0032806200000000, 0.0013260600000000 ] - [ -0.0000024000000000, 0.0033906300000000, 0.0013885700000000 ] - [ -0.0000008300000000, 0.0033209200000000, 0.0013220500000000 ] - [ -0.0000709000000000, 0.0041199700000000, 0.0019884600000000 ] - [ -0.0000723400000000, 0.0025816200000000, 0.0006900500000000 ] - [ -0.0000044800000000, 0.0034117400000000, 0.0012598900000000 ] - [ -0.0000041800000000, 0.0033050800000000, 0.0014344800000000 ] - [ 0.0003359100000000, -0.0031543400000000, 0.0009515500000000 ] - [ 0.0003372000000000, -0.0035583900000000, 0.0017501000000000 ] - [ -0.0001220400000000, -0.0033361000000000, 0.0011184800000000 ] - [ -0.0001219600000000, -0.0033737600000000, 0.0015818200000000 ] - [ 0.0000175100000000, -0.0034295700000000, 0.0013833200000000 ] - [ 0.0000196200000000, -0.0032806200000000, 0.0013260600000000 ] - [ -0.0000024000000000, -0.0033906300000000, 0.0013885700000000 ] - [ -0.0000008300000000, -0.0033209200000000, 0.0013220500000000 ] - [ -0.0000709000000000, -0.0041199700000000, 0.0019884600000000 ] - [ -0.0000723400000000, -0.0025816200000000, 0.0006900500000000 ] - [ -0.0000044800000000, -0.0034117400000000, 0.0012598900000000 ] - [ -0.0000041800000000, -0.0033050800000000, 0.0014344800000000 ] - [ 0.1244088800000000, 0.0000000000000000, -0.0750618100000000 ] - [ -0.0034648000000000, 0.0000000000000000, 0.0014003100000000 ] - [ -0.0033871500000000, 0.0000000000000000, 0.0013794300000000 ] - [ -0.0033389300000000, 0.0000000000000000, 0.0013352000000000 ] - [ -0.0033666600000000, 0.0000000000000000, 0.0014194200000000 ] - [ -0.0033074400000000, 0.0000000000000000, 0.0013470100000000 ] - [ -0.0033830900000000, 0.0000000000000000, 0.0013821500000000 ] - [ -0.0033309700000000, 0.0000000000000000, 0.0013257700000000 ] - [ -0.0039625200000000, 0.0000000000000000, 0.0020696500000000 ] - [ -0.0023372900000000, 0.0000000000000000, 0.0001456700000000 ] - [ -0.0034136800000000, 0.0000000000000000, 0.0014085300000000 ] - [ -0.0033091300000000, 0.0000000000000000, 0.0012930200000000 ] - [ 0.0032501500000000, 0.0000606400000000, -0.0012667500000000 ] - [ 0.0033998900000000, -0.0000004900000000, -0.0013450600000000 ] - [ 0.0032501500000000, -0.0000606400000000, -0.0012667500000000 ] - [ 0.0033998900000000, 0.0000004900000000, -0.0013450600000000 ] - [ 0.0032245500000000, -0.0001117500000000, -0.0013492600000000 ] - [ 0.0034734700000000, 0.0001022300000000, -0.0013668200000000 ] - [ 0.0032245500000000, 0.0001117500000000, -0.0013492600000000 ] - [ 0.0034734700000000, -0.0001022300000000, -0.0013668200000000 ] - [ 0.0030121900000000, 0.0000064800000000, -0.0010078900000000 ] - [ 0.0035650800000000, 0.0001548900000000, -0.0015896300000000 ] - [ 0.0030121900000000, -0.0000064800000000, -0.0010078900000000 ] - [ 0.0035650800000000, -0.0001548900000000, -0.0015896300000000 ] - [ -0.0034790400000000, -0.0000620100000000, -0.0014335500000000 ] - [ -0.0033156000000000, 0.0000008100000000, -0.0013416100000000 ] - [ -0.0034790400000000, 0.0000620100000000, -0.0014335500000000 ] - [ -0.0033156000000000, -0.0000008100000000, -0.0013416100000000 ] - [ -0.0034945900000000, 0.0001143400000000, -0.0013650100000000 ] - [ -0.0032434000000000, -0.0001002600000000, -0.0013457100000000 ] - [ -0.0034945900000000, -0.0001143400000000, -0.0013650100000000 ] - [ -0.0032434000000000, 0.0001002600000000, -0.0013457100000000 ] - [ -0.0036941600000000, -0.0000035600000000, -0.0016877300000000 ] - [ -0.0031437600000000, -0.0001549900000000, -0.0011081100000000 ] - [ -0.0036941600000000, 0.0000035600000000, -0.0016877300000000 ] - [ -0.0031437600000000, 0.0001549900000000, -0.0011081100000000 ] - [ -0.0001136800000000, 0.0033612100000000, -0.0013501400000000 ] - [ -0.0000210800000000, 0.0033574600000000, -0.0013439000000000 ] - [ 0.0001032400000000, 0.0033687200000000, -0.0013539900000000 ] - [ -0.0000148100000000, 0.0033575800000000, -0.0013445200000000 ] - [ 0.0002162300000000, 0.0033595200000000, -0.0013572700000000 ] - [ -0.0004176100000000, 0.0033613100000000, -0.0013562900000000 ] - [ 0.0000029000000000, 0.0033594400000000, -0.0013578000000000 ] - [ -0.0000059300000000, 0.0033573100000000, -0.0013561600000000 ] - [ 0.0225289500000000, 0.0030397900000000, -0.0009545600000000 ] - [ -0.0000695900000000, 0.0033557600000000, -0.0013510100000000 ] - [ -0.0000281900000000, 0.0033509600000000, -0.0013468200000000 ] - [ -0.0000084400000000, 0.0033528200000000, -0.0013483900000000 ] - [ -0.0001136800000000, -0.0033612100000000, -0.0013501400000000 ] - [ -0.0000210800000000, -0.0033574600000000, -0.0013439000000000 ] - [ 0.0001032400000000, -0.0033687200000000, -0.0013539900000000 ] - [ -0.0000148100000000, -0.0033575800000000, -0.0013445200000000 ] - [ 0.0002162300000000, -0.0033595200000000, -0.0013572700000000 ] - [ -0.0004176100000000, -0.0033613100000000, -0.0013562900000000 ] - [ 0.0000029000000000, -0.0033594400000000, -0.0013578000000000 ] - [ -0.0000059300000000, -0.0033573100000000, -0.0013561600000000 ] - [ 0.0225289500000000, -0.0030397900000000, -0.0009545600000000 ] - [ -0.0000695900000000, -0.0033557600000000, -0.0013510100000000 ] - [ -0.0000281900000000, -0.0033509600000000, -0.0013468200000000 ] - [ -0.0000084400000000, -0.0033528200000000, -0.0013483900000000 ] - [ -0.3121558300000000, 0.0000000000000000, -0.0054301200000000 ] - [ 0.0014218700000000, 0.0000000000000000, 0.0000083600000000 ] - [ 0.0000288000000000, 0.0000000000000000, 0.0000131100000000 ] - [ 0.0001780400000000, 0.0000000000000000, -0.0000003400000000 ] - [ -0.0001779400000000, 0.0000000000000000, -0.0000127400000000 ] - [ 0.0000247600000000, 0.0000000000000000, -0.0000034600000000 ] - [ -0.0000542900000000, 0.0000000000000000, 0.0000054500000000 ] - [ 0.0000434100000000, 0.0000000000000000, -0.0000019500000000 ] - [ -0.0001780600000000, 0.0000000000000000, 0.0000040800000000 ] - [ 0.0000248500000000, 0.0000000000000000, -0.0000012000000000 ] - [ -0.0000543500000000, 0.0000000000000000, -0.0000019800000000 ] - [ 0.0000435000000000, 0.0000000000000000, -0.0000020300000000 ] - [ 0.0003402500000000, 0.0012256100000000, -0.0001982700000000 ] - [ 0.0003229700000000, -0.0012366500000000, 0.0002097300000000 ] - [ 0.0003402500000000, -0.0012256100000000, -0.0001982700000000 ] - [ 0.0003229700000000, 0.0012366500000000, 0.0002097300000000 ] - [ 0.0000508200000000, -0.0000496700000000, -0.0001368400000000 ] - [ 0.0000494700000000, 0.0000505400000000, 0.0001356400000000 ] - [ 0.0000508200000000, 0.0000496700000000, -0.0001368400000000 ] - [ 0.0000494700000000, -0.0000505400000000, 0.0001356400000000 ] - [ 0.0000252700000000, -0.0000501600000000, -0.0001613900000000 ] - [ 0.0000265000000000, 0.0000499600000000, 0.0001602100000000 ] - [ 0.0000252700000000, 0.0000501600000000, -0.0001613900000000 ] - [ 0.0000265000000000, -0.0000499600000000, 0.0001602100000000 ] - [ 0.0014508200000000, -0.0000387600000000, -0.0019355300000000 ] - [ -0.0002613600000000, 0.0000009900000000, -0.0019604200000000 ] - [ 0.0014508200000000, 0.0000387600000000, -0.0019355300000000 ] - [ -0.0002613600000000, -0.0000009900000000, -0.0019604200000000 ] - [ 0.0001062200000000, 0.0000008400000000, -0.0019431700000000 ] - [ -0.0000751100000000, 0.0000012300000000, -0.0019459500000000 ] - [ 0.0001062200000000, -0.0000008400000000, -0.0019431700000000 ] - [ -0.0000751100000000, -0.0000012300000000, -0.0019459500000000 ] - [ -0.0001634400000000, 0.0000297500000000, -0.0019420100000000 ] - [ -0.0004294700000000, 0.0000036500000000, -0.0019621400000000 ] - [ -0.0001634400000000, -0.0000297500000000, -0.0019420100000000 ] - [ -0.0004294700000000, -0.0000036500000000, -0.0019621400000000 ] - [ 0.0027151200000000, 0.0000000000000000, -0.0010474500000000 ] - [ 0.0027417300000000, 0.0000000000000000, 0.0049825500000000 ] - [ 0.0000452900000000, 0.0000000000000000, 0.0021590500000000 ] - [ 0.0000525200000000, 0.0000000000000000, 0.0017582100000000 ] - [ -0.0000779000000000, 0.0000000000000000, 0.0018846100000000 ] - [ -0.0000730000000000, 0.0000000000000000, 0.0020322100000000 ] - [ 0.0000008800000000, 0.0000000000000000, 0.0018277400000000 ] - [ 0.0000034700000000, 0.0000000000000000, 0.0020838700000000 ] - [ -0.0008549700000000, 0.0000000000000000, 0.0006065100000000 ] - [ -0.0009114500000000, 0.0000000000000000, 0.0033840700000000 ] - [ -0.0000132500000000, 0.0000000000000000, 0.0018487200000000 ] - [ -0.0000111600000000, 0.0000000000000000, 0.0020618300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0823163600000000, 0.0000000000000000, 0.0798919800000000 ] - [ 0.0031579500000000, 0.0000000000000000, 0.0012766900000000 ] - [ 0.0035454900000000, 0.0000000000000000, 0.0015489700000000 ] - [ 0.0032592700000000, 0.0000000000000000, 0.0012873200000000 ] - [ 0.0037415800000000, 0.0000000000000000, 0.0013789800000000 ] - [ 0.0032905000000000, 0.0000000000000000, 0.0013309800000000 ] - [ 0.0035197600000000, 0.0000000000000000, 0.0013596500000000 ] - [ 0.0033351200000000, 0.0000000000000000, 0.0013507700000000 ] - [ 0.0034755500000000, 0.0000000000000000, 0.0016654500000000 ] - [ 0.0036164000000000, 0.0000000000000000, 0.0017108800000000 ] - [ 0.0034728100000000, 0.0000000000000000, 0.0014225100000000 ] - [ 0.0032911100000000, 0.0000000000000000, 0.0012897600000000 ] - [ -0.0001475900000000, 0.0032980000000000, 0.0015206700000000 ] - [ 0.0001475900000000, 0.0032980000000000, 0.0015206700000000 ] - [ -0.0000018800000000, 0.0033237900000000, 0.0013310800000000 ] - [ 0.0000018800000000, 0.0033237900000000, 0.0013310800000000 ] - [ 0.0000410600000000, 0.0034411400000000, 0.0014083300000000 ] - [ -0.0000410600000000, 0.0034411400000000, 0.0014083300000000 ] - [ 0.0000695600000000, 0.0034026200000000, 0.0013400800000000 ] - [ -0.0000695600000000, 0.0034026200000000, 0.0013400800000000 ] - [ 0.0000293200000000, 0.0036470100000000, 0.0016663800000000 ] - [ -0.0000293200000000, 0.0036470100000000, 0.0016663800000000 ] - [ 0.0000134600000000, 0.0033371800000000, 0.0012740700000000 ] - [ -0.0000134600000000, 0.0033371800000000, 0.0012740700000000 ] - [ -0.0001475900000000, -0.0032980000000000, 0.0015206700000000 ] - [ 0.0001475900000000, -0.0032980000000000, 0.0015206700000000 ] - [ -0.0000018800000000, -0.0033237900000000, 0.0013310800000000 ] - [ 0.0000018800000000, -0.0033237900000000, 0.0013310800000000 ] - [ 0.0000410600000000, -0.0034411400000000, 0.0014083300000000 ] - [ -0.0000410600000000, -0.0034411400000000, 0.0014083300000000 ] - [ 0.0000695600000000, -0.0034026200000000, 0.0013400800000000 ] - [ -0.0000695600000000, -0.0034026200000000, 0.0013400800000000 ] - [ 0.0000293200000000, -0.0036470100000000, 0.0016663800000000 ] - [ -0.0000293200000000, -0.0036470100000000, 0.0016663800000000 ] - [ 0.0000134600000000, -0.0033371800000000, 0.0012740700000000 ] - [ -0.0000134600000000, -0.0033371800000000, 0.0012740700000000 ] - [ -0.0823163600000000, 0.0000000000000000, 0.0798919800000000 ] - [ -0.0031579500000000, 0.0000000000000000, 0.0012766900000000 ] - [ -0.0035454900000000, 0.0000000000000000, 0.0015489700000000 ] - [ -0.0032592700000000, 0.0000000000000000, 0.0012873200000000 ] - [ -0.0037415800000000, 0.0000000000000000, 0.0013789800000000 ] - [ -0.0032905000000000, 0.0000000000000000, 0.0013309800000000 ] - [ -0.0035197600000000, 0.0000000000000000, 0.0013596500000000 ] - [ -0.0033351200000000, 0.0000000000000000, 0.0013507700000000 ] - [ -0.0034755500000000, 0.0000000000000000, 0.0016654500000000 ] - [ -0.0036164000000000, 0.0000000000000000, 0.0017108800000000 ] - [ -0.0034728100000000, 0.0000000000000000, 0.0014225100000000 ] - [ -0.0032911100000000, 0.0000000000000000, 0.0012897600000000 ] - [ 0.0030731700000000, -0.0000309700000000, -0.0010261200000000 ] - [ 0.0033793300000000, -0.0000132700000000, -0.0014158300000000 ] - [ 0.0030731700000000, 0.0000309700000000, -0.0010261200000000 ] - [ 0.0033793300000000, 0.0000132700000000, -0.0014158300000000 ] - [ 0.0032729700000000, -0.0000415700000000, -0.0013036300000000 ] - [ 0.0033109000000000, -0.0000698200000000, -0.0013719100000000 ] - [ 0.0032729700000000, 0.0000415700000000, -0.0013036300000000 ] - [ 0.0033109000000000, 0.0000698200000000, -0.0013719100000000 ] - [ 0.0034071500000000, 0.0001520600000000, -0.0011711100000000 ] - [ 0.0033846900000000, 0.0000001800000000, -0.0013659000000000 ] - [ 0.0034071500000000, -0.0001520600000000, -0.0011711100000000 ] - [ 0.0033846900000000, -0.0000001800000000, -0.0013659000000000 ] - [ -0.0030731700000000, -0.0000309700000000, -0.0010261200000000 ] - [ -0.0033793300000000, -0.0000132700000000, -0.0014158300000000 ] - [ -0.0030731700000000, 0.0000309700000000, -0.0010261200000000 ] - [ -0.0033793300000000, 0.0000132700000000, -0.0014158300000000 ] - [ -0.0032729700000000, -0.0000415700000000, -0.0013036300000000 ] - [ -0.0033109000000000, -0.0000698200000000, -0.0013719100000000 ] - [ -0.0032729700000000, 0.0000415700000000, -0.0013036300000000 ] - [ -0.0033109000000000, 0.0000698200000000, -0.0013719100000000 ] - [ -0.0034071500000000, 0.0001520600000000, -0.0011711100000000 ] - [ -0.0033846900000000, 0.0000001800000000, -0.0013659000000000 ] - [ -0.0034071500000000, -0.0001520600000000, -0.0011711100000000 ] - [ -0.0033846900000000, -0.0000001800000000, -0.0013659000000000 ] - [ 0.0000000000000000, 0.0032449200000000, -0.0010259100000000 ] - [ 0.0000000000000000, 0.0032446700000000, -0.0012684600000000 ] - [ 0.0000000000000000, 0.0031111900000000, -0.0009864300000000 ] - [ 0.0000000000000000, 0.0034245900000000, -0.0014000300000000 ] - [ 0.0000000000000000, 0.0029762800000000, -0.0013335600000000 ] - [ 0.0000000000000000, 0.0031922700000000, -0.0013523100000000 ] - [ 0.0000000000000000, 0.0034249600000000, -0.0013816000000000 ] - [ 0.0000000000000000, 0.0033788100000000, -0.0013607800000000 ] - [ 0.0000000000000000, -0.0729363100000000, 0.0762637600000000 ] - [ 0.0000000000000000, 0.0031658100000000, -0.0011516700000000 ] - [ 0.0000000000000000, 0.0035508600000000, -0.0014215500000000 ] - [ 0.0000000000000000, 0.0034499500000000, -0.0014117500000000 ] - [ 0.0000000000000000, -0.0032449200000000, -0.0010259100000000 ] - [ 0.0000000000000000, -0.0032446700000000, -0.0012684600000000 ] - [ 0.0000000000000000, -0.0031111900000000, -0.0009864300000000 ] - [ 0.0000000000000000, -0.0034245900000000, -0.0014000300000000 ] - [ 0.0000000000000000, -0.0029762800000000, -0.0013335600000000 ] - [ 0.0000000000000000, -0.0031922700000000, -0.0013523100000000 ] - [ 0.0000000000000000, -0.0034249600000000, -0.0013816000000000 ] - [ 0.0000000000000000, -0.0033788100000000, -0.0013607800000000 ] - [ 0.0000000000000000, 0.0729363100000000, 0.0762637600000000 ] - [ 0.0000000000000000, -0.0031658100000000, -0.0011516700000000 ] - [ 0.0000000000000000, -0.0035508600000000, -0.0014215500000000 ] - [ 0.0000000000000000, -0.0034499500000000, -0.0014117500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3326742400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007901900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006995100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001099200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001151200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573000000000 ] - [ -0.0001982000000000, 0.0002098300000000, -0.0007452400000000 ] - [ 0.0001982000000000, 0.0002098300000000, -0.0007452400000000 ] - [ -0.0001982000000000, -0.0002098300000000, -0.0007452400000000 ] - [ 0.0001982000000000, -0.0002098300000000, -0.0007452400000000 ] - [ -0.0001369000000000, 0.0001593800000000, -0.0000287900000000 ] - [ 0.0001369000000000, 0.0001593800000000, -0.0000287900000000 ] - [ -0.0001369000000000, -0.0001593800000000, -0.0000287900000000 ] - [ 0.0001369000000000, -0.0001593800000000, -0.0000287900000000 ] - [ -0.0001623300000000, 0.0001356500000000, -0.0000299800000000 ] - [ 0.0001623300000000, 0.0001356500000000, -0.0000299800000000 ] - [ -0.0001623300000000, -0.0001356500000000, -0.0000299800000000 ] - [ 0.0001623300000000, -0.0001356500000000, -0.0000299800000000 ] - [ 0.0000000000000000, 0.0006720600000000, -0.0004187000000000 ] - [ 0.0000000000000000, -0.0001516800000000, -0.0018472400000000 ] - [ 0.0000000000000000, -0.0006720600000000, -0.0004187000000000 ] - [ 0.0000000000000000, 0.0001516800000000, -0.0018472400000000 ] - [ 0.0000000000000000, -0.0000707100000000, -0.0022230200000000 ] - [ 0.0000000000000000, -0.0001208100000000, -0.0020578500000000 ] - [ 0.0000000000000000, 0.0000707100000000, -0.0022230200000000 ] - [ 0.0000000000000000, 0.0001208100000000, -0.0020578500000000 ] - [ 0.0000000000000000, 0.0033855000000000, 0.0010657300000000 ] - [ 0.0000000000000000, -0.0002407600000000, -0.0019220600000000 ] - [ 0.0000000000000000, -0.0033855000000000, 0.0010657300000000 ] - [ 0.0000000000000000, 0.0002407600000000, -0.0019220600000000 ] - [ -0.0033806800000000, 0.0000000000000000, 0.0049751200000000 ] - [ 0.0033806800000000, 0.0000000000000000, 0.0049751200000000 ] - [ 0.0002410500000000, 0.0000000000000000, 0.0019993100000000 ] - [ -0.0002410500000000, 0.0000000000000000, 0.0019993100000000 ] - [ 0.0000748100000000, 0.0000000000000000, 0.0016767000000000 ] - [ -0.0000748100000000, 0.0000000000000000, 0.0016767000000000 ] - [ 0.0001206800000000, 0.0000000000000000, 0.0018442300000000 ] - [ -0.0001206800000000, 0.0000000000000000, 0.0018442300000000 ] - [ -0.0006732600000000, 0.0000000000000000, 0.0034451300000000 ] - [ 0.0006732600000000, 0.0000000000000000, 0.0034451300000000 ] - [ 0.0001530600000000, 0.0000000000000000, 0.0020676100000000 ] - [ -0.0001530600000000, 0.0000000000000000, 0.0020676100000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034284000000000, 0.0003474800000000, 0.0012589100000000 ] - [ 0.0032190900000000, 0.0000226600000000, 0.0012040900000000 ] - [ 0.0034284000000000, -0.0003474800000000, 0.0012589100000000 ] - [ 0.0032190900000000, -0.0000226600000000, 0.0012040900000000 ] - [ 0.0034214600000000, -0.0001088400000000, 0.0013645400000000 ] - [ 0.0033480200000000, 0.0000121100000000, 0.0013163300000000 ] - [ 0.0034214600000000, 0.0001088400000000, 0.0013645400000000 ] - [ 0.0033480200000000, -0.0000121100000000, 0.0013163300000000 ] - [ 0.0034237900000000, 0.0000084000000000, 0.0014173900000000 ] - [ 0.0032851500000000, -0.0000071300000000, 0.0012605900000000 ] - [ 0.0034237900000000, -0.0000084000000000, 0.0014173900000000 ] - [ 0.0032851500000000, 0.0000071300000000, 0.0012605900000000 ] - [ 0.0011656300000000, 0.0037167800000000, 0.0023406400000000 ] - [ 0.0012020200000000, 0.0029924000000000, 0.0003344700000000 ] - [ 0.0000047800000000, 0.0032145900000000, 0.0012364800000000 ] - [ 0.0000047400000000, 0.0034942900000000, 0.0014625400000000 ] - [ 0.0009548300000000, 0.0039903700000000, 0.0011489600000000 ] - [ 0.0009647200000000, 0.0027190800000000, 0.0015676000000000 ] - [ -0.0000081400000000, 0.0033546200000000, 0.0013590600000000 ] - [ -0.0000083500000000, 0.0033600500000000, 0.0013532700000000 ] - [ 0.0000159300000000, 0.0032904900000000, 0.0012828700000000 ] - [ 0.0000151300000000, 0.0034246100000000, 0.0014068600000000 ] - [ 0.0000034100000000, 0.0032725100000000, 0.0012861500000000 ] - [ 0.0000031600000000, 0.0034438400000000, 0.0014041800000000 ] - [ 0.0000047800000000, -0.0032145900000000, 0.0012364800000000 ] - [ 0.0000047400000000, -0.0034942900000000, 0.0014625400000000 ] - [ 0.0011656300000000, -0.0037167800000000, 0.0023406400000000 ] - [ 0.0012020200000000, -0.0029924000000000, 0.0003344700000000 ] - [ -0.0000081400000000, -0.0033546200000000, 0.0013590600000000 ] - [ -0.0000083500000000, -0.0033600500000000, 0.0013532700000000 ] - [ 0.0009548300000000, -0.0039903700000000, 0.0011489600000000 ] - [ 0.0009647200000000, -0.0027190800000000, 0.0015676000000000 ] - [ 0.0000034100000000, -0.0032725100000000, 0.0012861500000000 ] - [ 0.0000031600000000, -0.0034438400000000, 0.0014041800000000 ] - [ 0.0000159300000000, -0.0032904900000000, 0.0012828700000000 ] - [ 0.0000151300000000, -0.0034246100000000, 0.0014068600000000 ] - [ -0.0032824500000000, -0.0003480400000000, 0.0014434800000000 ] - [ -0.0034885600000000, -0.0000223900000000, 0.0014938200000000 ] - [ -0.0032824500000000, 0.0003480400000000, 0.0014434800000000 ] - [ -0.0034885600000000, 0.0000223900000000, 0.0014938200000000 ] - [ -0.0032979200000000, 0.0001035200000000, 0.0013467600000000 ] - [ -0.0033656800000000, -0.0000120500000000, 0.0013952600000000 ] - [ -0.0032979200000000, -0.0001035200000000, 0.0013467600000000 ] - [ -0.0033656800000000, 0.0000120500000000, 0.0013952600000000 ] - [ -0.0032934200000000, -0.0000082500000000, 0.0012731200000000 ] - [ -0.0034300300000000, 0.0000074200000000, 0.0014289100000000 ] - [ -0.0032934200000000, 0.0000082500000000, 0.0012731200000000 ] - [ -0.0034300300000000, -0.0000074200000000, 0.0014289100000000 ] - [ 0.0016899000000000, 0.0000000000000000, 0.0008035200000000 ] - [ 0.0032961500000000, 0.0000000000000000, -0.0005899300000000 ] - [ 0.0034476500000000, 0.0000000000000000, -0.0014169300000000 ] - [ 0.0032629300000000, 0.0000000000000000, -0.0012695400000000 ] - [ 0.0034314900000000, 0.0000000000000000, -0.0013372400000000 ] - [ 0.0032747400000000, 0.0000000000000000, -0.0013120300000000 ] - [ 0.0034261400000000, 0.0000000000000000, -0.0013860700000000 ] - [ 0.0032872800000000, 0.0000000000000000, -0.0013218800000000 ] - [ 0.0053663600000000, 0.0000000000000000, -0.0008208400000000 ] - [ 0.0036185100000000, 0.0000000000000000, -0.0012044900000000 ] - [ 0.0034432000000000, 0.0000000000000000, -0.0013825300000000 ] - [ 0.0032748100000000, 0.0000000000000000, -0.0013224600000000 ] - [ -0.0050066800000000, 0.0000000000000000, -0.0034763700000000 ] - [ -0.0034207100000000, 0.0000000000000000, -0.0021013700000000 ] - [ -0.0032674300000000, 0.0000000000000000, -0.0012726300000000 ] - [ -0.0034530900000000, 0.0000000000000000, -0.0014210200000000 ] - [ -0.0032810400000000, 0.0000000000000000, -0.0013729000000000 ] - [ -0.0034400800000000, 0.0000000000000000, -0.0014013400000000 ] - [ -0.0032863800000000, 0.0000000000000000, -0.0013244700000000 ] - [ -0.0034263000000000, 0.0000000000000000, -0.0013898800000000 ] - [ -0.0013219200000000, 0.0000000000000000, -0.0018945400000000 ] - [ -0.0031001200000000, 0.0000000000000000, -0.0015095900000000 ] - [ -0.0032651800000000, 0.0000000000000000, -0.0013159200000000 ] - [ -0.0034344400000000, 0.0000000000000000, -0.0013768400000000 ] - [ -0.0000371200000000, 0.0033573300000000, -0.0013471000000000 ] - [ 0.0000467600000000, 0.0033580300000000, -0.0013448400000000 ] - [ 0.0007286200000000, 0.0033490800000000, -0.0013385100000000 ] - [ 0.0000167500000000, 0.0033588500000000, -0.0013456800000000 ] - [ -0.0000267900000000, 0.0033563800000000, -0.0013551400000000 ] - [ 0.0000140900000000, 0.0033570400000000, -0.0013556100000000 ] - [ -0.0000358100000000, 0.0033563000000000, -0.0013553000000000 ] - [ 0.0000556800000000, 0.0033574400000000, -0.0013562300000000 ] - [ -0.0006048200000000, 0.0033537300000000, -0.0013505900000000 ] - [ 0.0000556900000000, 0.0033546300000000, -0.0013490700000000 ] - [ -0.0001285400000000, 0.0033587000000000, -0.0013478600000000 ] - [ -0.0000132000000000, 0.0033556800000000, -0.0013501100000000 ] - [ 0.0007286200000000, -0.0033490800000000, -0.0013385100000000 ] - [ 0.0000167500000000, -0.0033588500000000, -0.0013456800000000 ] - [ -0.0000371200000000, -0.0033573300000000, -0.0013471000000000 ] - [ 0.0000467600000000, -0.0033580300000000, -0.0013448400000000 ] - [ -0.0000358100000000, -0.0033563000000000, -0.0013553000000000 ] - [ 0.0000556800000000, -0.0033574400000000, -0.0013562300000000 ] - [ -0.0000267900000000, -0.0033563800000000, -0.0013551400000000 ] - [ 0.0000140900000000, -0.0033570400000000, -0.0013556100000000 ] - [ -0.0001285400000000, -0.0033587000000000, -0.0013478600000000 ] - [ -0.0000132000000000, -0.0033556800000000, -0.0013501100000000 ] - [ -0.0006048200000000, -0.0033537300000000, -0.0013505900000000 ] - [ 0.0000556900000000, -0.0033546300000000, -0.0013490700000000 ] - [ 0.0014512100000000, 0.0000072600000000, -0.0000026600000000 ] - [ -0.0002616100000000, -0.0000019500000000, 0.0000007300000000 ] - [ 0.0014512100000000, -0.0000072600000000, -0.0000026600000000 ] - [ -0.0002616100000000, 0.0000019500000000, 0.0000007300000000 ] - [ -0.0001632500000000, -0.0000062700000000, -0.0000083700000000 ] - [ -0.0004294500000000, -0.0000007600000000, 0.0000007900000000 ] - [ -0.0001632500000000, 0.0000062700000000, -0.0000083700000000 ] - [ -0.0004294500000000, 0.0000007600000000, 0.0000007900000000 ] - [ 0.0001056300000000, 0.0000000700000000, -0.0000012900000000 ] - [ -0.0000754300000000, -0.0000013600000000, 0.0000006900000000 ] - [ 0.0001056300000000, -0.0000000700000000, -0.0000012900000000 ] - [ -0.0000754300000000, 0.0000013600000000, 0.0000006900000000 ] - [ -0.0009115700000000, 0.0000000000000000, -0.0006780000000000 ] - [ -0.0008545300000000, 0.0000000000000000, 0.0006672300000000 ] - [ -0.0000127900000000, 0.0000000000000000, 0.0001514300000000 ] - [ -0.0000111600000000, 0.0000000000000000, -0.0001522900000000 ] - [ 0.0027028800000000, 0.0000000000000000, -0.0033433000000000 ] - [ 0.0027541900000000, 0.0000000000000000, 0.0034231400000000 ] - [ 0.0000482400000000, 0.0000000000000000, 0.0002403800000000 ] - [ 0.0000504500000000, 0.0000000000000000, -0.0002410700000000 ] - [ -0.0000785200000000, 0.0000000000000000, 0.0000730700000000 ] - [ -0.0000737800000000, 0.0000000000000000, -0.0000721500000000 ] - [ 0.0000007100000000, 0.0000000000000000, 0.0001199500000000 ] - [ 0.0000019500000000, 0.0000000000000000, -0.0001211500000000 ] - [ -0.0196281100000000, 0.0000000000000000, -0.0019660800000000 ] - [ 0.0009676700000000, 0.0000000000000000, -0.0019578600000000 ] - [ -0.0001636600000000, 0.0000000000000000, -0.0019576600000000 ] - [ 0.0001936300000000, 0.0000000000000000, -0.0019578600000000 ] - [ -0.0002176200000000, 0.0000000000000000, -0.0019535300000000 ] - [ 0.0013723800000000, 0.0000000000000000, -0.0019490700000000 ] - [ -0.0000933200000000, 0.0000000000000000, -0.0019533900000000 ] - [ 0.0001203800000000, 0.0000000000000000, -0.0019508600000000 ] - [ -0.0002175500000000, 0.0000000000000000, -0.0019589200000000 ] - [ 0.0013722300000000, 0.0000000000000000, -0.0019667300000000 ] - [ -0.0000933500000000, 0.0000000000000000, -0.0019581000000000 ] - [ 0.0001204900000000, 0.0000000000000000, -0.0019602800000000 ] - [ 0.0003760000000000, -0.0005694800000000, 0.0018517400000000 ] - [ 0.0003812400000000, 0.0005769000000000, 0.0020704000000000 ] - [ 0.0003760000000000, 0.0005694800000000, 0.0018517400000000 ] - [ 0.0003812400000000, -0.0005769000000000, 0.0020704000000000 ] - [ -0.0000003100000000, -0.0002026800000000, 0.0017539000000000 ] - [ -0.0000032800000000, 0.0002054300000000, 0.0021472100000000 ] - [ -0.0000003100000000, 0.0002026800000000, 0.0017539000000000 ] - [ -0.0000032800000000, -0.0002054300000000, 0.0021472100000000 ] - [ 0.0000163400000000, -0.0002017100000000, 0.0021914700000000 ] - [ 0.0000133700000000, 0.0002029600000000, 0.0017253600000000 ] - [ 0.0000163400000000, 0.0002017100000000, 0.0021914700000000 ] - [ 0.0000133700000000, -0.0002029600000000, 0.0017253600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0038342200000000, -0.0003993200000000, 0.0019473400000000 ] - [ 0.0034596500000000, -0.0000042000000000, 0.0014381300000000 ] - [ 0.0038342200000000, 0.0003993200000000, 0.0019473400000000 ] - [ 0.0034596500000000, 0.0000042000000000, 0.0014381300000000 ] - [ 0.0028617100000000, 0.0007639500000000, 0.0014364400000000 ] - [ 0.0033918700000000, -0.0000131500000000, 0.0013586200000000 ] - [ 0.0028617100000000, -0.0007639500000000, 0.0014364400000000 ] - [ 0.0033918700000000, 0.0000131500000000, 0.0013586200000000 ] - [ 0.0032578400000000, 0.0000028800000000, 0.0013179900000000 ] - [ 0.0032070900000000, 0.0000103200000000, 0.0012455300000000 ] - [ 0.0032578400000000, -0.0000028800000000, 0.0013179900000000 ] - [ 0.0032070900000000, -0.0000103200000000, 0.0012455300000000 ] - [ 0.0003993200000000, 0.0038342200000000, 0.0019473400000000 ] - [ -0.0003993200000000, 0.0038342200000000, 0.0019473400000000 ] - [ 0.0000042000000000, 0.0034596500000000, 0.0014381300000000 ] - [ -0.0000042000000000, 0.0034596500000000, 0.0014381300000000 ] - [ -0.0007639500000000, 0.0028617100000000, 0.0014364400000000 ] - [ 0.0007639500000000, 0.0028617100000000, 0.0014364400000000 ] - [ 0.0000131500000000, 0.0033918700000000, 0.0013586200000000 ] - [ -0.0000131500000000, 0.0033918700000000, 0.0013586200000000 ] - [ -0.0000028800000000, 0.0032578400000000, 0.0013179900000000 ] - [ 0.0000028800000000, 0.0032578400000000, 0.0013179900000000 ] - [ -0.0000103200000000, 0.0032070900000000, 0.0012455300000000 ] - [ 0.0000103200000000, 0.0032070900000000, 0.0012455300000000 ] - [ 0.0000042000000000, -0.0034596500000000, 0.0014381300000000 ] - [ -0.0000042000000000, -0.0034596500000000, 0.0014381300000000 ] - [ 0.0003993200000000, -0.0038342200000000, 0.0019473400000000 ] - [ -0.0003993200000000, -0.0038342200000000, 0.0019473400000000 ] - [ 0.0000131500000000, -0.0033918700000000, 0.0013586200000000 ] - [ -0.0000131500000000, -0.0033918700000000, 0.0013586200000000 ] - [ -0.0007639500000000, -0.0028617100000000, 0.0014364400000000 ] - [ 0.0007639500000000, -0.0028617100000000, 0.0014364400000000 ] - [ -0.0000103200000000, -0.0032070900000000, 0.0012455300000000 ] - [ 0.0000103200000000, -0.0032070900000000, 0.0012455300000000 ] - [ -0.0000028800000000, -0.0032578400000000, 0.0013179900000000 ] - [ 0.0000028800000000, -0.0032578400000000, 0.0013179900000000 ] - [ -0.0038342200000000, -0.0003993200000000, 0.0019473400000000 ] - [ -0.0034596500000000, -0.0000042000000000, 0.0014381300000000 ] - [ -0.0038342200000000, 0.0003993200000000, 0.0019473400000000 ] - [ -0.0034596500000000, 0.0000042000000000, 0.0014381300000000 ] - [ -0.0028617100000000, 0.0007639500000000, 0.0014364400000000 ] - [ -0.0033918700000000, -0.0000131500000000, 0.0013586200000000 ] - [ -0.0028617100000000, -0.0007639500000000, 0.0014364400000000 ] - [ -0.0033918700000000, 0.0000131500000000, 0.0013586200000000 ] - [ -0.0032578400000000, 0.0000028800000000, 0.0013179900000000 ] - [ -0.0032070900000000, 0.0000103200000000, 0.0012455300000000 ] - [ -0.0032578400000000, -0.0000028800000000, 0.0013179900000000 ] - [ -0.0032070900000000, -0.0000103200000000, 0.0012455300000000 ] - [ 0.0054194400000000, 0.0000000000000000, -0.0023558400000000 ] - [ 0.0034545800000000, 0.0000000000000000, -0.0004595100000000 ] - [ 0.0032679200000000, 0.0000000000000000, -0.0012619300000000 ] - [ 0.0033154600000000, 0.0000000000000000, -0.0013065500000000 ] - [ 0.0036549000000000, 0.0000000000000000, -0.0015467500000000 ] - [ 0.0035729000000000, 0.0000000000000000, -0.0015454700000000 ] - [ 0.0035523400000000, 0.0000000000000000, -0.0014696400000000 ] - [ 0.0033852200000000, 0.0000000000000000, -0.0013360000000000 ] - [ 0.0051986300000000, 0.0000000000000000, -0.0007479400000000 ] - [ 0.0026046800000000, 0.0000000000000000, -0.0020656300000000 ] - [ 0.0032481400000000, 0.0000000000000000, -0.0013131300000000 ] - [ 0.0033621100000000, 0.0000000000000000, -0.0014088300000000 ] - [ -0.0054194400000000, 0.0000000000000000, -0.0023558400000000 ] - [ -0.0034545800000000, 0.0000000000000000, -0.0004595100000000 ] - [ -0.0032679200000000, 0.0000000000000000, -0.0012619300000000 ] - [ -0.0033154600000000, 0.0000000000000000, -0.0013065500000000 ] - [ -0.0036549000000000, 0.0000000000000000, -0.0015467500000000 ] - [ -0.0035729000000000, 0.0000000000000000, -0.0015454700000000 ] - [ -0.0035523400000000, 0.0000000000000000, -0.0014696400000000 ] - [ -0.0033852200000000, 0.0000000000000000, -0.0013360000000000 ] - [ -0.0051986300000000, 0.0000000000000000, -0.0007479400000000 ] - [ -0.0026046800000000, 0.0000000000000000, -0.0020656300000000 ] - [ -0.0032481400000000, 0.0000000000000000, -0.0013131300000000 ] - [ -0.0033621100000000, 0.0000000000000000, -0.0014088300000000 ] - [ 0.0000000000000000, 0.0034545800000000, -0.0004595100000000 ] - [ 0.0000000000000000, 0.0033154600000000, -0.0013065500000000 ] - [ 0.0000000000000000, 0.0054194400000000, -0.0023558400000000 ] - [ 0.0000000000000000, 0.0032679200000000, -0.0012619300000000 ] - [ 0.0000000000000000, 0.0035729000000000, -0.0015454700000000 ] - [ 0.0000000000000000, 0.0033852200000000, -0.0013360000000000 ] - [ 0.0000000000000000, 0.0036549000000000, -0.0015467500000000 ] - [ 0.0000000000000000, 0.0035523400000000, -0.0014696400000000 ] - [ 0.0000000000000000, 0.0026046800000000, -0.0020656300000000 ] - [ 0.0000000000000000, 0.0033621100000000, -0.0014088300000000 ] - [ 0.0000000000000000, 0.0051986300000000, -0.0007479400000000 ] - [ 0.0000000000000000, 0.0032481400000000, -0.0013131300000000 ] - [ 0.0000000000000000, -0.0054194400000000, -0.0023558400000000 ] - [ 0.0000000000000000, -0.0032679200000000, -0.0012619300000000 ] - [ 0.0000000000000000, -0.0034545800000000, -0.0004595100000000 ] - [ 0.0000000000000000, -0.0033154600000000, -0.0013065500000000 ] - [ 0.0000000000000000, -0.0036549000000000, -0.0015467500000000 ] - [ 0.0000000000000000, -0.0035523400000000, -0.0014696400000000 ] - [ 0.0000000000000000, -0.0035729000000000, -0.0015454700000000 ] - [ 0.0000000000000000, -0.0033852200000000, -0.0013360000000000 ] - [ 0.0000000000000000, -0.0051986300000000, -0.0007479400000000 ] - [ 0.0000000000000000, -0.0032481400000000, -0.0013131300000000 ] - [ 0.0000000000000000, -0.0026046800000000, -0.0020656300000000 ] - [ 0.0000000000000000, -0.0033621100000000, -0.0014088300000000 ] - [ 0.0000000000000000, 0.0014028900000000, 0.0014877100000000 ] - [ 0.0000000000000000, 0.0001067900000000, 0.0001097400000000 ] - [ 0.0000000000000000, -0.0014028900000000, 0.0014877100000000 ] - [ 0.0000000000000000, -0.0001067900000000, 0.0001097400000000 ] - [ 0.0000000000000000, 0.0030482500000000, 0.0030414800000000 ] - [ 0.0000000000000000, -0.0002012900000000, 0.0000404300000000 ] - [ 0.0000000000000000, -0.0030482500000000, 0.0030414800000000 ] - [ 0.0000000000000000, 0.0002012900000000, 0.0000404300000000 ] - [ 0.0000000000000000, 0.0000735800000000, -0.0002740300000000 ] - [ 0.0000000000000000, 0.0001280300000000, -0.0001072000000000 ] - [ 0.0000000000000000, -0.0000735800000000, -0.0002740300000000 ] - [ 0.0000000000000000, -0.0001280300000000, -0.0001072000000000 ] - [ -0.0014028900000000, 0.0000000000000000, 0.0014877100000000 ] - [ 0.0014028900000000, 0.0000000000000000, 0.0014877100000000 ] - [ -0.0001067900000000, 0.0000000000000000, 0.0001097400000000 ] - [ 0.0001067900000000, 0.0000000000000000, 0.0001097400000000 ] - [ -0.0030482500000000, 0.0000000000000000, 0.0030414800000000 ] - [ 0.0030482500000000, 0.0000000000000000, 0.0030414800000000 ] - [ 0.0002012900000000, 0.0000000000000000, 0.0000404300000000 ] - [ -0.0002012900000000, 0.0000000000000000, 0.0000404300000000 ] - [ -0.0000735800000000, 0.0000000000000000, -0.0002740300000000 ] - [ 0.0000735800000000, 0.0000000000000000, -0.0002740300000000 ] - [ -0.0001280300000000, 0.0000000000000000, -0.0001072000000000 ] - [ 0.0001280300000000, 0.0000000000000000, -0.0001072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0266780600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027473300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027473300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021806000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010355300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010355300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012675500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010475600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010475600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018464500000000 ] - [ -0.0001075300000000, 0.0001075300000000, 0.0014616300000000 ] - [ 0.0001075300000000, 0.0001075300000000, 0.0014616300000000 ] - [ -0.0001075300000000, -0.0001075300000000, 0.0014616300000000 ] - [ 0.0001075300000000, -0.0001075300000000, 0.0014616300000000 ] - [ -0.0001970700000000, 0.0001970700000000, 0.0024340100000000 ] - [ 0.0001970700000000, 0.0001970700000000, 0.0024340100000000 ] - [ -0.0001970700000000, -0.0001970700000000, 0.0024340100000000 ] - [ 0.0001970700000000, -0.0001970700000000, 0.0024340100000000 ] - [ 0.0002335600000000, -0.0002335600000000, 0.0023138400000000 ] - [ -0.0002335600000000, -0.0002335600000000, 0.0023138400000000 ] - [ 0.0002335600000000, 0.0002335600000000, 0.0023138400000000 ] - [ -0.0002335600000000, 0.0002335600000000, 0.0023138400000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0028771900000000, 0.0003977300000000, 0.0007543900000000 ] - [ 0.0032489500000000, 0.0000042200000000, 0.0012605200000000 ] - [ 0.0028771900000000, -0.0003977300000000, 0.0007543900000000 ] - [ 0.0032489500000000, -0.0000042200000000, 0.0012605200000000 ] - [ 0.0038518700000000, -0.0007588100000000, 0.0012778000000000 ] - [ 0.0033231200000000, 0.0000132300000000, 0.0013536600000000 ] - [ 0.0038518700000000, 0.0007588100000000, 0.0012778000000000 ] - [ 0.0033231200000000, -0.0000132300000000, 0.0013536600000000 ] - [ 0.0034579800000000, -0.0000031300000000, 0.0013722200000000 ] - [ 0.0035088300000000, -0.0000101500000000, 0.0014445500000000 ] - [ 0.0034579800000000, 0.0000031300000000, 0.0013722200000000 ] - [ 0.0035088300000000, 0.0000101500000000, 0.0014445500000000 ] - [ -0.0003977300000000, 0.0028771900000000, 0.0007543900000000 ] - [ 0.0003977300000000, 0.0028771900000000, 0.0007543900000000 ] - [ -0.0000042200000000, 0.0032489500000000, 0.0012605200000000 ] - [ 0.0000042200000000, 0.0032489500000000, 0.0012605200000000 ] - [ 0.0007588100000000, 0.0038518700000000, 0.0012778000000000 ] - [ -0.0007588100000000, 0.0038518700000000, 0.0012778000000000 ] - [ -0.0000132300000000, 0.0033231200000000, 0.0013536600000000 ] - [ 0.0000132300000000, 0.0033231200000000, 0.0013536600000000 ] - [ 0.0000031300000000, 0.0034579800000000, 0.0013722200000000 ] - [ -0.0000031300000000, 0.0034579800000000, 0.0013722200000000 ] - [ 0.0000101500000000, 0.0035088300000000, 0.0014445500000000 ] - [ -0.0000101500000000, 0.0035088300000000, 0.0014445500000000 ] - [ -0.0000042200000000, -0.0032489500000000, 0.0012605200000000 ] - [ 0.0000042200000000, -0.0032489500000000, 0.0012605200000000 ] - [ -0.0003977300000000, -0.0028771900000000, 0.0007543900000000 ] - [ 0.0003977300000000, -0.0028771900000000, 0.0007543900000000 ] - [ -0.0000132300000000, -0.0033231200000000, 0.0013536600000000 ] - [ 0.0000132300000000, -0.0033231200000000, 0.0013536600000000 ] - [ 0.0007588100000000, -0.0038518700000000, 0.0012778000000000 ] - [ -0.0007588100000000, -0.0038518700000000, 0.0012778000000000 ] - [ 0.0000101500000000, -0.0035088300000000, 0.0014445500000000 ] - [ -0.0000101500000000, -0.0035088300000000, 0.0014445500000000 ] - [ 0.0000031300000000, -0.0034579800000000, 0.0013722200000000 ] - [ -0.0000031300000000, -0.0034579800000000, 0.0013722200000000 ] - [ -0.0028771900000000, 0.0003977300000000, 0.0007543900000000 ] - [ -0.0032489500000000, 0.0000042200000000, 0.0012605200000000 ] - [ -0.0028771900000000, -0.0003977300000000, 0.0007543900000000 ] - [ -0.0032489500000000, -0.0000042200000000, 0.0012605200000000 ] - [ -0.0038518700000000, -0.0007588100000000, 0.0012778000000000 ] - [ -0.0033231200000000, 0.0000132300000000, 0.0013536600000000 ] - [ -0.0038518700000000, 0.0007588100000000, 0.0012778000000000 ] - [ -0.0033231200000000, -0.0000132300000000, 0.0013536600000000 ] - [ -0.0034579800000000, -0.0000031300000000, 0.0013722200000000 ] - [ -0.0035088300000000, -0.0000101500000000, 0.0014445500000000 ] - [ -0.0034579800000000, 0.0000031300000000, 0.0013722200000000 ] - [ -0.0035088300000000, 0.0000101500000000, 0.0014445500000000 ] - [ 0.0012819300000000, 0.0000000000000000, -0.0003133800000000 ] - [ 0.0032666700000000, 0.0000000000000000, -0.0022239200000000 ] - [ 0.0034487300000000, 0.0000000000000000, -0.0014285400000000 ] - [ 0.0034010900000000, 0.0000000000000000, -0.0013838400000000 ] - [ 0.0030599200000000, 0.0000000000000000, -0.0011652400000000 ] - [ 0.0031428800000000, 0.0000000000000000, -0.0011676900000000 ] - [ 0.0031629900000000, 0.0000000000000000, -0.0012429700000000 ] - [ 0.0033291200000000, 0.0000000000000000, -0.0013755800000000 ] - [ 0.0014799400000000, 0.0000000000000000, -0.0019750600000000 ] - [ 0.0041215900000000, 0.0000000000000000, -0.0006243100000000 ] - [ 0.0034620300000000, 0.0000000000000000, -0.0013863000000000 ] - [ 0.0033478700000000, 0.0000000000000000, -0.0012905000000000 ] - [ -0.0012819300000000, 0.0000000000000000, -0.0003133800000000 ] - [ -0.0032666700000000, 0.0000000000000000, -0.0022239200000000 ] - [ -0.0034487300000000, 0.0000000000000000, -0.0014285400000000 ] - [ -0.0034010900000000, 0.0000000000000000, -0.0013838400000000 ] - [ -0.0030599200000000, 0.0000000000000000, -0.0011652400000000 ] - [ -0.0031428800000000, 0.0000000000000000, -0.0011676900000000 ] - [ -0.0031629900000000, 0.0000000000000000, -0.0012429700000000 ] - [ -0.0033291200000000, 0.0000000000000000, -0.0013755800000000 ] - [ -0.0014799400000000, 0.0000000000000000, -0.0019750600000000 ] - [ -0.0041215900000000, 0.0000000000000000, -0.0006243100000000 ] - [ -0.0034620300000000, 0.0000000000000000, -0.0013863000000000 ] - [ -0.0033478700000000, 0.0000000000000000, -0.0012905000000000 ] - [ 0.0000000000000000, 0.0032666700000000, -0.0022239200000000 ] - [ 0.0000000000000000, 0.0034010900000000, -0.0013838400000000 ] - [ 0.0000000000000000, 0.0012819300000000, -0.0003133800000000 ] - [ 0.0000000000000000, 0.0034487300000000, -0.0014285400000000 ] - [ 0.0000000000000000, 0.0031428800000000, -0.0011676900000000 ] - [ 0.0000000000000000, 0.0033291200000000, -0.0013755800000000 ] - [ 0.0000000000000000, 0.0030599200000000, -0.0011652400000000 ] - [ 0.0000000000000000, 0.0031629900000000, -0.0012429700000000 ] - [ 0.0000000000000000, 0.0041215900000000, -0.0006243100000000 ] - [ 0.0000000000000000, 0.0033478700000000, -0.0012905000000000 ] - [ 0.0000000000000000, 0.0014799400000000, -0.0019750600000000 ] - [ 0.0000000000000000, 0.0034620300000000, -0.0013863000000000 ] - [ 0.0000000000000000, -0.0012819300000000, -0.0003133800000000 ] - [ 0.0000000000000000, -0.0034487300000000, -0.0014285400000000 ] - [ 0.0000000000000000, -0.0032666700000000, -0.0022239200000000 ] - [ 0.0000000000000000, -0.0034010900000000, -0.0013838400000000 ] - [ 0.0000000000000000, -0.0030599200000000, -0.0011652400000000 ] - [ 0.0000000000000000, -0.0031629900000000, -0.0012429700000000 ] - [ 0.0000000000000000, -0.0031428800000000, -0.0011676900000000 ] - [ 0.0000000000000000, -0.0033291200000000, -0.0013755800000000 ] - [ 0.0000000000000000, -0.0014799400000000, -0.0019750600000000 ] - [ 0.0000000000000000, -0.0034620300000000, -0.0013863000000000 ] - [ 0.0000000000000000, -0.0041215900000000, -0.0006243100000000 ] - [ 0.0000000000000000, -0.0033478700000000, -0.0012905000000000 ] - [ 0.0000000000000000, -0.0013739400000000, -0.0015394400000000 ] - [ 0.0000000000000000, -0.0001071600000000, -0.0001099900000000 ] - [ 0.0000000000000000, 0.0013739400000000, -0.0015394400000000 ] - [ 0.0000000000000000, 0.0001071600000000, -0.0001099900000000 ] - [ 0.0000000000000000, -0.0029820200000000, -0.0029997300000000 ] - [ 0.0000000000000000, 0.0001991700000000, -0.0000380200000000 ] - [ 0.0000000000000000, 0.0029820200000000, -0.0029997300000000 ] - [ 0.0000000000000000, -0.0001991700000000, -0.0000380200000000 ] - [ 0.0000000000000000, -0.0000743000000000, 0.0002735700000000 ] - [ 0.0000000000000000, -0.0001282700000000, 0.0001065400000000 ] - [ 0.0000000000000000, 0.0000743000000000, 0.0002735700000000 ] - [ 0.0000000000000000, 0.0001282700000000, 0.0001065400000000 ] - [ 0.0013739400000000, 0.0000000000000000, -0.0015394400000000 ] - [ -0.0013739400000000, 0.0000000000000000, -0.0015394400000000 ] - [ 0.0001071600000000, 0.0000000000000000, -0.0001099900000000 ] - [ -0.0001071600000000, 0.0000000000000000, -0.0001099900000000 ] - [ 0.0029820200000000, 0.0000000000000000, -0.0029997300000000 ] - [ -0.0029820200000000, 0.0000000000000000, -0.0029997300000000 ] - [ -0.0001991700000000, 0.0000000000000000, -0.0000380200000000 ] - [ 0.0001991700000000, 0.0000000000000000, -0.0000380200000000 ] - [ 0.0000743000000000, 0.0000000000000000, 0.0002735700000000 ] - [ -0.0000743000000000, 0.0000000000000000, 0.0002735700000000 ] - [ 0.0001282700000000, 0.0000000000000000, 0.0001065400000000 ] - [ -0.0001282700000000, 0.0000000000000000, 0.0001065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0227047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011706100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011706100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017354400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026439800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026680600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020726600000000 ] - [ 0.0001112300000000, -0.0001112300000000, 0.0024563300000000 ] - [ -0.0001112300000000, -0.0001112300000000, 0.0024563300000000 ] - [ 0.0001112300000000, 0.0001112300000000, 0.0024563300000000 ] - [ -0.0001112300000000, 0.0001112300000000, 0.0024563300000000 ] - [ 0.0001961100000000, -0.0001961100000000, 0.0014677600000000 ] - [ -0.0001961100000000, -0.0001961100000000, 0.0014677600000000 ] - [ 0.0001961100000000, 0.0001961100000000, 0.0014677600000000 ] - [ -0.0001961100000000, 0.0001961100000000, 0.0014677600000000 ] - [ -0.0002326700000000, 0.0002326700000000, 0.0016048600000000 ] - [ 0.0002326700000000, 0.0002326700000000, 0.0016048600000000 ] - [ -0.0002326700000000, -0.0002326700000000, 0.0016048600000000 ] - [ 0.0002326700000000, -0.0002326700000000, 0.0016048600000000 ]