# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/09d2d006-4e07-412d-906f-55031d52a279/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 SO2 / Aea2 (41) / materials id 27726](https://mdr.nims.go.jp/datasets/7cd626e6-3f23-4f49-8997-083c6b1f47e6) ## 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: "Aea2" number: 41 Hall_symbol: "A 2 -2ac"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.984190740000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 2.904571625000000, 3.105288850000000 ] # b - [ 0.000000000000000, -2.904571625000000, 3.105288850000000 ] # c points: - symbol: O # 1 coordinates: [ 0.640566350000000, 0.464462320000000, 0.774605700000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.359433650000000, 0.774605700000000, 0.464462320000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.140566350000000, 0.274605700000000, 0.964462320000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.859433650000000, 0.964462320000000, 0.274605700000000 ] mass: 15.999400 - symbol: S # 5 coordinates: [ 0.500000000000000, 0.496932000000000, 0.496932000000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.000000000000000, 0.996932000000000, 0.996932000000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.167106972930478, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.172142423928003, 0.161015616952993 ] # b* - [ 0.000000000000000, -0.172142423928003, 0.161015616952993 ] # c*unit_cell: lattice: - [ 5.984190740000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.809143250000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.210577700000000 ] # c points: - symbol: O # 1 coordinates: [ 0.640566350000000, 0.344928310000000, 0.119534010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.359433650000000, 0.655071690000000, 0.119534010000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.140566350000000, 0.155071690000000, 0.119534010000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.859433650000000, 0.844928310000000, 0.119534010000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.640566350000000, 0.844928310000000, 0.619534010000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.359433650000000, 0.155071690000000, 0.619534010000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 7 coordinates: [ 0.140566350000000, 0.655071690000000, 0.619534010000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 8 coordinates: [ 0.859433650000000, 0.344928310000000, 0.619534010000000 ] mass: 15.999400 reduced_to: 4 - symbol: S # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.996932000000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.496932000000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.500000000000000, 0.000000000000000, 0.496932000000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.996932000000000 ] mass: 32.065000 reduced_to: 10supercell: lattice: - [ 11.968381480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.427429750000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.421155400000000 ] # c points: - symbol: O # 1 coordinates: [ 0.320283175000000, 0.114976103333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.820283175000000, 0.114976103333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.320283175000000, 0.448309436666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.820283175000000, 0.448309436666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.320283175000000, 0.781642770000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.820283175000000, 0.781642770000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.320283175000000, 0.114976103333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.820283175000000, 0.114976103333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.320283175000000, 0.448309436666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.820283175000000, 0.448309436666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.320283175000000, 0.781642770000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.820283175000000, 0.781642770000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.179716825000000, 0.218357230000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.679716825000000, 0.218357230000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.179716825000000, 0.551690563333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.679716825000000, 0.551690563333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.179716825000000, 0.885023896666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.679716825000000, 0.885023896666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.179716825000000, 0.218357230000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.679716825000000, 0.218357230000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 21 coordinates: [ 0.179716825000000, 0.551690563333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 22 coordinates: [ 0.679716825000000, 0.551690563333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 23 coordinates: [ 0.179716825000000, 0.885023896666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 24 coordinates: [ 0.679716825000000, 0.885023896666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 25 coordinates: [ 0.070283175000000, 0.051690563333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.570283175000000, 0.051690563333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.070283175000000, 0.385023896666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.570283175000000, 0.385023896666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.070283175000000, 0.718357230000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.570283175000000, 0.718357230000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.070283175000000, 0.051690563333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 32 coordinates: [ 0.570283175000000, 0.051690563333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 33 coordinates: [ 0.070283175000000, 0.385023896666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 34 coordinates: [ 0.570283175000000, 0.385023896666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 35 coordinates: [ 0.070283175000000, 0.718357230000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 36 coordinates: [ 0.570283175000000, 0.718357230000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 37 coordinates: [ 0.429716825000000, 0.281642770000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.929716825000000, 0.281642770000000, 0.059767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.429716825000000, 0.614976103333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.929716825000000, 0.614976103333333, 0.059767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.429716825000000, 0.948309436666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.929716825000000, 0.948309436666667, 0.059767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.429716825000000, 0.281642770000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 44 coordinates: [ 0.929716825000000, 0.281642770000000, 0.559767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 45 coordinates: [ 0.429716825000000, 0.614976103333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 46 coordinates: [ 0.929716825000000, 0.614976103333333, 0.559767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 47 coordinates: [ 0.429716825000000, 0.948309436666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 48 coordinates: [ 0.929716825000000, 0.948309436666667, 0.559767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 49 coordinates: [ 0.320283175000000, 0.281642770000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.820283175000000, 0.281642770000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.320283175000000, 0.614976103333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.820283175000000, 0.614976103333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.320283175000000, 0.948309436666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.820283175000000, 0.948309436666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.320283175000000, 0.281642770000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 56 coordinates: [ 0.820283175000000, 0.281642770000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 57 coordinates: [ 0.320283175000000, 0.614976103333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 58 coordinates: [ 0.820283175000000, 0.614976103333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 59 coordinates: [ 0.320283175000000, 0.948309436666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 60 coordinates: [ 0.820283175000000, 0.948309436666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 61 coordinates: [ 0.179716825000000, 0.051690563333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.679716825000000, 0.051690563333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.179716825000000, 0.385023896666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.679716825000000, 0.385023896666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.179716825000000, 0.718357230000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 66 coordinates: [ 0.679716825000000, 0.718357230000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 67 coordinates: [ 0.179716825000000, 0.051690563333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 68 coordinates: [ 0.679716825000000, 0.051690563333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 69 coordinates: [ 0.179716825000000, 0.385023896666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 70 coordinates: [ 0.679716825000000, 0.385023896666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 71 coordinates: [ 0.179716825000000, 0.718357230000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 72 coordinates: [ 0.679716825000000, 0.718357230000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 73 coordinates: [ 0.070283175000000, 0.218357230000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.570283175000000, 0.218357230000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.070283175000000, 0.551690563333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 76 coordinates: [ 0.570283175000000, 0.551690563333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 77 coordinates: [ 0.070283175000000, 0.885023896666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 78 coordinates: [ 0.570283175000000, 0.885023896666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 79 coordinates: [ 0.070283175000000, 0.218357230000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 80 coordinates: [ 0.570283175000000, 0.218357230000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 81 coordinates: [ 0.070283175000000, 0.551690563333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 82 coordinates: [ 0.570283175000000, 0.551690563333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 83 coordinates: [ 0.070283175000000, 0.885023896666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 84 coordinates: [ 0.570283175000000, 0.885023896666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 85 coordinates: [ 0.429716825000000, 0.114976103333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.929716825000000, 0.114976103333333, 0.309767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.429716825000000, 0.448309436666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.929716825000000, 0.448309436666667, 0.309767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.429716825000000, 0.781642770000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 90 coordinates: [ 0.929716825000000, 0.781642770000000, 0.309767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 91 coordinates: [ 0.429716825000000, 0.114976103333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 92 coordinates: [ 0.929716825000000, 0.114976103333333, 0.809767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 93 coordinates: [ 0.429716825000000, 0.448309436666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 94 coordinates: [ 0.929716825000000, 0.448309436666667, 0.809767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 95 coordinates: [ 0.429716825000000, 0.781642770000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 96 coordinates: [ 0.929716825000000, 0.781642770000000, 0.809767005000000 ] mass: 15.999400 reduced_to: 37 - symbol: S # 97 coordinates: [ 0.250000000000000, 0.166666666666667, 0.498466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.750000000000000, 0.166666666666667, 0.498466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.250000000000000, 0.500000000000000, 0.498466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.750000000000000, 0.500000000000000, 0.498466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 101 coordinates: [ 0.250000000000000, 0.833333333333333, 0.498466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 102 coordinates: [ 0.750000000000000, 0.833333333333333, 0.498466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 103 coordinates: [ 0.250000000000000, 0.166666666666667, 0.998466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 104 coordinates: [ 0.750000000000000, 0.166666666666667, 0.998466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 105 coordinates: [ 0.250000000000000, 0.500000000000000, 0.998466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 106 coordinates: [ 0.750000000000000, 0.500000000000000, 0.998466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 107 coordinates: [ 0.250000000000000, 0.833333333333333, 0.998466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 108 coordinates: [ 0.750000000000000, 0.833333333333333, 0.998466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 109 coordinates: [ 0.000000000000000, 0.166666666666667, 0.248466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.500000000000000, 0.166666666666667, 0.248466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.248466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.248466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 113 coordinates: [ 0.000000000000000, 0.833333333333333, 0.248466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 114 coordinates: [ 0.500000000000000, 0.833333333333333, 0.248466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 115 coordinates: [ 0.000000000000000, 0.166666666666667, 0.748466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 116 coordinates: [ 0.500000000000000, 0.166666666666667, 0.748466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 117 coordinates: [ 0.000000000000000, 0.500000000000000, 0.748466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 118 coordinates: [ 0.500000000000000, 0.500000000000000, 0.748466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 119 coordinates: [ 0.000000000000000, 0.833333333333333, 0.748466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 120 coordinates: [ 0.500000000000000, 0.833333333333333, 0.748466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 121 coordinates: [ 0.250000000000000, 0.000000000000000, 0.248466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 122 coordinates: [ 0.750000000000000, 0.000000000000000, 0.248466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 123 coordinates: [ 0.250000000000000, 0.333333333333333, 0.248466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 124 coordinates: [ 0.750000000000000, 0.333333333333333, 0.248466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 125 coordinates: [ 0.250000000000000, 0.666666666666667, 0.248466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 126 coordinates: [ 0.750000000000000, 0.666666666666667, 0.248466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 127 coordinates: [ 0.250000000000000, 0.000000000000000, 0.748466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 128 coordinates: [ 0.750000000000000, 0.000000000000000, 0.748466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 129 coordinates: [ 0.250000000000000, 0.333333333333333, 0.748466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 130 coordinates: [ 0.750000000000000, 0.333333333333333, 0.748466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 131 coordinates: [ 0.250000000000000, 0.666666666666667, 0.748466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 132 coordinates: [ 0.750000000000000, 0.666666666666667, 0.748466000000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 133 coordinates: [ 0.000000000000000, 0.000000000000000, 0.498466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 134 coordinates: [ 0.500000000000000, 0.000000000000000, 0.498466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 135 coordinates: [ 0.000000000000000, 0.333333333333333, 0.498466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 136 coordinates: [ 0.500000000000000, 0.333333333333333, 0.498466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 137 coordinates: [ 0.000000000000000, 0.666666666666667, 0.498466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 138 coordinates: [ 0.500000000000000, 0.666666666666667, 0.498466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 139 coordinates: [ 0.000000000000000, 0.000000000000000, 0.998466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 140 coordinates: [ 0.500000000000000, 0.000000000000000, 0.998466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 141 coordinates: [ 0.000000000000000, 0.333333333333333, 0.998466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 142 coordinates: [ 0.500000000000000, 0.333333333333333, 0.998466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 143 coordinates: [ 0.000000000000000, 0.666666666666667, 0.998466000000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 144 coordinates: [ 0.500000000000000, 0.666666666666667, 0.998466000000000 ] mass: 32.065000 reduced_to: 109born_effective_charge:- # 1 (O) - [ -0.928667220000000, 0.506161310000000, -0.407869160000000 ] - [ 0.477392200000000, -0.954437590000000, 0.439808070000000 ] - [ -0.072943440000000, 0.100817390000000, -0.726905020000000 ]- # 2 (O) - [ -0.928667220000000, 0.506161310000000, 0.407869160000000 ] - [ 0.477392200000000, -0.954437590000000, -0.439808070000000 ] - [ 0.072943440000000, -0.100817390000000, -0.726905020000000 ]- # 3 (O) - [ -0.928667220000000, -0.506161310000000, -0.407869160000000 ] - [ -0.477392200000000, -0.954437590000000, -0.439808070000000 ] - [ -0.072943440000000, -0.100817390000000, -0.726905020000000 ]- # 4 (O) - [ -0.928667220000000, -0.506161310000000, 0.407869160000000 ] - [ -0.477392200000000, -0.954437590000000, 0.439808070000000 ] - [ 0.072943440000000, 0.100817390000000, -0.726905020000000 ]- # 5 (S) - [ 1.857334440000000, -0.673744570000000, 0.000000000000000 ] - [ -0.566174370000000, 1.908875180000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.453810030000000 ]- # 6 (S) - [ 1.857334440000000, 0.673744570000000, -0.000000000000000 ] - [ 0.566174370000000, 1.908875180000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.453810030000000 ]dielectric_constant: - [ 2.478497780000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.589019820000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.329682520000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1982584400000000, 0.2007845500000000, -0.1440133400000000 ] - [ 0.0007151200000000, -0.0004934300000000, 0.0003330200000000 ] - [ 0.0000379100000000, -0.0005619300000000, 0.0001693800000000 ] - [ 0.0004725000000000, -0.0006101000000000, 0.0002569100000000 ] - [ 0.0000147100000000, -0.0004069200000000, 0.0001400200000000 ] - [ 0.0004515600000000, -0.0006190100000000, 0.0002563100000000 ] - [ -0.0001840600000000, -0.0000866200000000, -0.0000556700000000 ] - [ 0.0002938100000000, -0.0004245100000000, 0.0002203800000000 ] - [ 0.0001270600000000, -0.0004529200000000, 0.0001899200000000 ] - [ 0.0002550700000000, -0.0004487200000000, 0.0001939000000000 ] - [ 0.0001047500000000, -0.0003640100000000, 0.0001328600000000 ] - [ 0.0002335800000000, -0.0004242800000000, 0.0001967700000000 ] - [ 0.0158063800000000, -0.0164689600000000, 0.0131117500000000 ] - [ 0.0004749700000000, 0.0002962900000000, -0.0001287300000000 ] - [ -0.0001407700000000, 0.0002245900000000, 0.0000413900000000 ] - [ 0.0000189700000000, 0.0001929000000000, 0.0000583400000000 ] - [ -0.0003209400000000, 0.0003940100000000, 0.0001800000000000 ] - [ 0.0003202700000000, -0.0000310000000000, -0.0000824300000000 ] - [ -0.0003978800000000, 0.0006571300000000, 0.0003988600000000 ] - [ 0.0000068900000000, 0.0003053800000000, 0.0001118600000000 ] - [ -0.0001555600000000, 0.0003067600000000, 0.0001086900000000 ] - [ -0.0001055600000000, 0.0003036200000000, 0.0001068300000000 ] - [ -0.0001702900000000, 0.0003779800000000, 0.0001248300000000 ] - [ -0.0000295900000000, 0.0002952700000000, 0.0000720400000000 ] - [ 0.0018506100000000, 0.0017520500000000, 0.0012181700000000 ] - [ 0.0018894800000000, -0.0014856900000000, -0.0001710200000000 ] - [ 0.0007679100000000, -0.0001375900000000, 0.0001855000000000 ] - [ 0.0007725200000000, 0.0008291800000000, 0.0002516600000000 ] - [ 0.0000643400000000, 0.0002030300000000, 0.0000738300000000 ] - [ 0.0000640200000000, 0.0001334800000000, 0.0000512500000000 ] - [ 0.0001792900000000, 0.0005160200000000, 0.0001739300000000 ] - [ 0.0001777600000000, 0.0003695800000000, 0.0001797500000000 ] - [ 0.0001890800000000, 0.0004074300000000, 0.0001567100000000 ] - [ 0.0001886300000000, 0.0004334100000000, 0.0002246900000000 ] - [ 0.0000980300000000, 0.0002462200000000, 0.0000921900000000 ] - [ 0.0000979000000000, 0.0002161800000000, 0.0000854500000000 ] - [ -0.0001830100000000, 0.0018806500000000, -0.0004889400000000 ] - [ 0.0005455500000000, -0.0004494900000000, 0.0000356800000000 ] - [ -0.0002571200000000, -0.0005508600000000, 0.0002062700000000 ] - [ -0.0001627600000000, -0.0005325000000000, 0.0001785000000000 ] - [ -0.0002097100000000, -0.0017644200000000, 0.0007232000000000 ] - [ 0.0005281500000000, 0.0003664300000000, 0.0000033400000000 ] - [ -0.0002308200000000, -0.0002266800000000, 0.0002001500000000 ] - [ -0.0000328300000000, -0.0002650800000000, 0.0000773600000000 ] - [ -0.0002037600000000, -0.0004911700000000, 0.0001919000000000 ] - [ -0.0001489200000000, -0.0004765000000000, 0.0001685500000000 ] - [ -0.0002528200000000, -0.0004242700000000, 0.0002216200000000 ] - [ -0.0000533800000000, -0.0003028800000000, 0.0000526100000000 ] - [ -0.0003115100000000, 0.0002276800000000, -0.0004469800000000 ] - [ 0.0004223600000000, -0.0004205300000000, 0.0001737300000000 ] - [ 0.0001416600000000, -0.0004721500000000, 0.0001626300000000 ] - [ 0.0002397900000000, -0.0005142800000000, 0.0001932300000000 ] - [ -0.0002722100000000, 0.0000193900000000, -0.0001571100000000 ] - [ 0.0004547800000000, -0.0006299800000000, 0.0003406800000000 ] - [ -0.0002940900000000, -0.0013467700000000, 0.0011337300000000 ] - [ 0.0004328600000000, -0.0003367200000000, 0.0002852800000000 ] - [ 0.0001409200000000, -0.0005187400000000, 0.0001864300000000 ] - [ 0.0002392200000000, -0.0005336100000000, 0.0002008200000000 ] - [ -0.0002960100000000, -0.0002932200000000, -0.0002891100000000 ] - [ 0.0004439200000000, -0.0005072000000000, 0.0002424500000000 ] - [ -0.0005662600000000, 0.0009170500000000, 0.0003135300000000 ] - [ 0.0002273800000000, 0.0001305300000000, 0.0001072200000000 ] - [ -0.0002060300000000, 0.0005804800000000, -0.0002351800000000 ] - [ 0.0000355100000000, 0.0003049000000000, 0.0000509900000000 ] - [ -0.0001249900000000, 0.0002498000000000, 0.0001003500000000 ] - [ -0.0000383400000000, 0.0001928500000000, 0.0000777600000000 ] - [ -0.0005651100000000, 0.0005023800000000, 0.0000417500000000 ] - [ 0.0002282000000000, 0.0002954200000000, -0.0001691100000000 ] - [ -0.0002061200000000, -0.0000057700000000, 0.0002502000000000 ] - [ 0.0000365900000000, 0.0003424800000000, 0.0000720700000000 ] - [ -0.0001243600000000, 0.0002054800000000, 0.0000761500000000 ] - [ -0.0000377800000000, 0.0001698200000000, 0.0000513700000000 ] - [ 0.0005050600000000, 0.0006952500000000, -0.0003164700000000 ] - [ 0.0008383600000000, 0.0014177200000000, 0.0018043700000000 ] - [ 0.0000883100000000, 0.0002865200000000, 0.0000114500000000 ] - [ 0.0001325900000000, 0.0002989000000000, 0.0001258900000000 ] - [ 0.0001077800000000, 0.0003882600000000, 0.0001138700000000 ] - [ 0.0000634800000000, 0.0002592800000000, 0.0001944500000000 ] - [ 0.0008457200000000, 0.0008043300000000, 0.0010552800000000 ] - [ 0.0005022500000000, 0.0008008100000000, 0.0001822100000000 ] - [ 0.0001320500000000, 0.0002129800000000, 0.0001105600000000 ] - [ 0.0000871500000000, 0.0002654700000000, 0.0001064200000000 ] - [ 0.0000645400000000, 0.0004012100000000, 0.0001378400000000 ] - [ 0.0001066600000000, 0.0000405700000000, -0.0001666800000000 ] - [ 0.0001825100000000, 0.0000093900000000, 0.0014162700000000 ] - [ 0.0003812400000000, 0.0002646800000000, -0.0007117100000000 ] - [ -0.0002834200000000, -0.0004489500000000, 0.0001823700000000 ] - [ -0.0001555100000000, -0.0004483700000000, 0.0000831800000000 ] - [ -0.0003197700000000, -0.0004714000000000, 0.0003406500000000 ] - [ -0.0001051500000000, -0.0003629500000000, 0.0001210000000000 ] - [ 0.0001849800000000, 0.0002867500000000, -0.0014557100000000 ] - [ 0.0003845900000000, 0.0000830400000000, -0.0000499300000000 ] - [ -0.0003408600000000, -0.0004826500000000, 0.0002013900000000 ] - [ -0.0001268700000000, -0.0005965100000000, 0.0003080200000000 ] - [ -0.0002614900000000, -0.0005574400000000, 0.0001982300000000 ] - [ -0.0001319000000000, -0.0003677700000000, 0.0001296200000000 ] - [ 0.0006168200000000, -0.0006283800000000, -0.0003092900000000 ] - [ -0.0003992100000000, 0.0000666100000000, -0.0003632500000000 ] - [ 0.0000308100000000, 0.0001631800000000, -0.0002306300000000 ] - [ -0.0001305200000000, 0.0001194100000000, -0.0002758100000000 ] - [ 0.0000945000000000, 0.0000652100000000, -0.0002792400000000 ] - [ -0.0001756000000000, 0.0001742400000000, -0.0002994400000000 ] - [ 0.1803174300000000, -0.1880836800000000, 0.1311315300000000 ] - [ -0.0014561000000000, -0.0000851700000000, -0.0001587700000000 ] - [ 0.0001326900000000, 0.0005328500000000, -0.0002298400000000 ] - [ -0.0003905000000000, 0.0002730800000000, -0.0003311000000000 ] - [ 0.0004504200000000, 0.0003100700000000, -0.0002421000000000 ] - [ -0.0006161200000000, 0.0004791900000000, -0.0001299200000000 ] - [ -0.0011929500000000, -0.0012112300000000, 0.0012544900000000 ] - [ -0.0009897800000000, -0.0018379400000000, -0.0031055900000000 ] - [ 0.0000226200000000, 0.0002686700000000, -0.0000151200000000 ] - [ 0.0001007500000000, 0.0001000300000000, -0.0003285300000000 ] - [ -0.0000517800000000, 0.0000269700000000, -0.0002088000000000 ] - [ 0.0002184700000000, 0.0003792500000000, -0.0006397600000000 ] - [ -0.0008492600000000, -0.0009333600000000, -0.0006283200000000 ] - [ -0.0004266200000000, -0.0010668100000000, 0.0001832300000000 ] - [ -0.0000332900000000, 0.0003729300000000, -0.0003799700000000 ] - [ 0.0001607000000000, 0.0001710900000000, -0.0003359700000000 ] - [ -0.0000051100000000, 0.0000487100000000, -0.0002476000000000 ] - [ 0.0001686800000000, 0.0004733100000000, -0.0001238800000000 ] - [ 0.0015266200000000, 0.0000662800000000, -0.0011669900000000 ] - [ -0.0007705800000000, 0.0003804200000000, -0.0004356900000000 ] - [ 0.0007535200000000, -0.0001890900000000, 0.0012414700000000 ] - [ -0.0005724200000000, 0.0000287800000000, -0.0002045400000000 ] - [ 0.0000197100000000, 0.0002155400000000, -0.0002633100000000 ] - [ -0.0001622900000000, 0.0002350300000000, -0.0002806700000000 ] - [ 0.0007846100000000, -0.0002972500000000, 0.0001133200000000 ] - [ -0.0006061500000000, 0.0001773400000000, -0.0001258900000000 ] - [ 0.0000839200000000, 0.0008117300000000, -0.0008973700000000 ] - [ -0.0004279800000000, 0.0000138300000000, -0.0003508500000000 ] - [ 0.0000137500000000, 0.0002652600000000, -0.0002678600000000 ] - [ -0.0001558700000000, 0.0002559500000000, -0.0002671200000000 ] - [ -0.0001358300000000, -0.0002211000000000, -0.0001614100000000 ] - [ 0.0001043800000000, 0.0001047600000000, -0.0005239000000000 ] - [ -0.0001319900000000, -0.0000623400000000, -0.0001308900000000 ] - [ 0.0000268900000000, -0.0001876000000000, -0.0004859000000000 ] - [ 0.0000305500000000, 0.0001735200000000, -0.0002527600000000 ] - [ 0.0000870000000000, 0.0002038000000000, -0.0003019900000000 ] - [ -0.0008316200000000, -0.0012386500000000, -0.0011392700000000 ] - [ -0.0008145500000000, 0.0036483000000000, 0.0003201800000000 ] - [ -0.0022895900000000, 0.0013574800000000, -0.0009383600000000 ] - [ -0.0004316800000000, -0.0008747700000000, 0.0002361300000000 ] - [ 0.0000361200000000, 0.0002824800000000, -0.0002469000000000 ] - [ 0.0001352100000000, 0.0003411100000000, -0.0002774400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2014583800000000, -0.2092531500000000, 0.1499563800000000 ] - [ -0.0004500000000000, -0.0002854400000000, -0.0000745300000000 ] - [ 0.0002899600000000, -0.0002029600000000, 0.0001096800000000 ] - [ -0.0001431300000000, -0.0001558000000000, 0.0000229400000000 ] - [ 0.0002676800000000, -0.0002412200000000, 0.0001221200000000 ] - [ -0.0001640500000000, -0.0000316000000000, 0.0000082400000000 ] - [ 0.0004419100000000, -0.0006897800000000, 0.0003159600000000 ] - [ -0.0000315500000000, -0.0003531500000000, 0.0000412200000000 ] - [ 0.0002006400000000, -0.0003132800000000, 0.0000931100000000 ] - [ 0.0000749100000000, -0.0003181300000000, 0.0000896500000000 ] - [ 0.0001789700000000, -0.0002838500000000, 0.0001333200000000 ] - [ 0.0000530700000000, -0.0002253400000000, 0.0000703800000000 ] - [ -0.0162700200000000, 0.0176724700000000, -0.0132125700000000 ] - [ -0.0007553700000000, 0.0003512300000000, 0.0003897600000000 ] - [ -0.0001882500000000, 0.0005421500000000, 0.0002382000000000 ] - [ -0.0003471600000000, 0.0005731100000000, 0.0002208800000000 ] - [ 0.0000593200000000, 0.0003827400000000, 0.0000760500000000 ] - [ -0.0005771100000000, 0.0008048500000000, 0.0003374700000000 ] - [ 0.0001112700000000, -0.0000072900000000, -0.0001305300000000 ] - [ -0.0002904700000000, 0.0003427800000000, 0.0001538700000000 ] - [ -0.0001730500000000, 0.0004587000000000, 0.0001735900000000 ] - [ -0.0002223500000000, 0.0004617600000000, 0.0001756500000000 ] - [ -0.0000907000000000, 0.0004007500000000, 0.0001365400000000 ] - [ -0.0002299400000000, 0.0004818500000000, 0.0001879600000000 ] - [ -0.0015496800000000, -0.0009915000000000, -0.0009408700000000 ] - [ -0.0015081900000000, 0.0022192600000000, 0.0004550100000000 ] - [ -0.0005115000000000, 0.0009200500000000, 0.0000708600000000 ] - [ -0.0005049400000000, -0.0000473000000000, 0.0000076800000000 ] - [ 0.0002208300000000, 0.0004465900000000, 0.0001897100000000 ] - [ 0.0002208100000000, 0.0005152600000000, 0.0002121200000000 ] - [ 0.0001501600000000, 0.0002508900000000, 0.0001105900000000 ] - [ 0.0001503100000000, 0.0003960000000000, 0.0001028100000000 ] - [ 0.0000715700000000, 0.0003688100000000, 0.0001033500000000 ] - [ 0.0000716400000000, 0.0003427000000000, 0.0000359100000000 ] - [ 0.0001873700000000, 0.0004034200000000, 0.0001748200000000 ] - [ 0.0001874500000000, 0.0004333300000000, 0.0001814200000000 ] - [ -0.0001010200000000, -0.0025119700000000, 0.0007562200000000 ] - [ -0.0008339900000000, -0.0002037300000000, 0.0002288400000000 ] - [ -0.0000035500000000, -0.0002260800000000, 0.0000508300000000 ] - [ -0.0000965500000000, -0.0002435800000000, 0.0000778000000000 ] - [ -0.0001286200000000, 0.0009766600000000, -0.0004275600000000 ] - [ -0.0008530500000000, -0.0011307400000000, 0.0002735400000000 ] - [ -0.0000559100000000, -0.0004236700000000, 0.0000672000000000 ] - [ -0.0002513800000000, -0.0003850900000000, 0.0001900100000000 ] - [ -0.0000575500000000, -0.0002863700000000, 0.0000689700000000 ] - [ -0.0001103400000000, -0.0003000300000000, 0.0000912900000000 ] - [ -0.0000773900000000, -0.0003412600000000, 0.0000621800000000 ] - [ -0.0002726300000000, -0.0004607900000000, 0.0002283200000000 ] - [ 0.0005977000000000, -0.0008813400000000, 0.0007124300000000 ] - [ -0.0001346000000000, -0.0002308600000000, 0.0000939400000000 ] - [ 0.0001184300000000, -0.0003048900000000, 0.0000969200000000 ] - [ 0.0000219500000000, -0.0002634400000000, 0.0000669800000000 ] - [ 0.0005984000000000, -0.0007849300000000, 0.0004424900000000 ] - [ -0.0001237100000000, -0.0001374400000000, -0.0000574300000000 ] - [ 0.0005749200000000, 0.0006874400000000, -0.0008646800000000 ] - [ -0.0001453300000000, -0.0003138500000000, -0.0000203200000000 ] - [ 0.0001178800000000, -0.0002569300000000, 0.0000709700000000 ] - [ 0.0000216700000000, -0.0002432100000000, 0.0000574700000000 ] - [ 0.0006143600000000, -0.0004602100000000, 0.0005618200000000 ] - [ -0.0001133800000000, -0.0002583100000000, 0.0000387200000000 ] - [ 0.0002342800000000, -0.0001442100000000, -0.0000275300000000 ] - [ -0.0005532300000000, 0.0006334200000000, 0.0001742200000000 ] - [ -0.0000529900000000, 0.0001966200000000, 0.0004937300000000 ] - [ -0.0002954900000000, 0.0004722100000000, 0.0002087100000000 ] - [ -0.0001611500000000, 0.0004006500000000, 0.0001656300000000 ] - [ -0.0002469100000000, 0.0004571800000000, 0.0001877200000000 ] - [ 0.0002355500000000, 0.0002875100000000, 0.0002571400000000 ] - [ -0.0005526300000000, 0.0004686100000000, 0.0004461800000000 ] - [ -0.0000531800000000, 0.0007787500000000, 0.0000044500000000 ] - [ -0.0002944700000000, 0.0004326100000000, 0.0001845400000000 ] - [ -0.0001606600000000, 0.0004437300000000, 0.0001880200000000 ] - [ -0.0002462100000000, 0.0004786100000000, 0.0002128700000000 ] - [ -0.0002154500000000, -0.0000440200000000, 0.0005824500000000 ] - [ -0.0005490100000000, -0.0007581900000000, -0.0015186800000000 ] - [ 0.0002411300000000, 0.0004799100000000, 0.0002713600000000 ] - [ 0.0001964600000000, 0.0004672300000000, 0.0001564000000000 ] - [ 0.0001526700000000, 0.0003893000000000, 0.0001454700000000 ] - [ 0.0001967700000000, 0.0005176400000000, 0.0000653500000000 ] - [ -0.0005440200000000, -0.0001562800000000, -0.0007776100000000 ] - [ -0.0002161200000000, -0.0001528700000000, 0.0000802700000000 ] - [ 0.0001957900000000, 0.0005518200000000, 0.0001690100000000 ] - [ 0.0002405100000000, 0.0004993900000000, 0.0001738900000000 ] - [ 0.0001966800000000, 0.0003772500000000, 0.0001214100000000 ] - [ 0.0001527600000000, 0.0007338800000000, 0.0004227100000000 ] - [ -0.0004505100000000, -0.0007874000000000, -0.0011422300000000 ] - [ -0.0006393700000000, -0.0010400600000000, 0.0009693900000000 ] - [ -0.0000466800000000, -0.0003183600000000, 0.0001004300000000 ] - [ -0.0001730900000000, -0.0003184800000000, 0.0001991700000000 ] - [ 0.0000328900000000, -0.0001786700000000, -0.0000738100000000 ] - [ -0.0001792500000000, -0.0002859900000000, 0.0001439700000000 ] - [ -0.0004476500000000, -0.0010664700000000, 0.0017005500000000 ] - [ -0.0006359500000000, -0.0008552900000000, 0.0003048700000000 ] - [ 0.0000118100000000, -0.0002828600000000, 0.0000786800000000 ] - [ -0.0002003100000000, -0.0001687300000000, -0.0000286000000000 ] - [ -0.0000246700000000, -0.0000921500000000, 0.0000669200000000 ] - [ -0.0001503400000000, -0.0002790000000000, 0.0001332900000000 ] - [ -0.0006104400000000, 0.0006280200000000, -0.0002323300000000 ] - [ 0.0003990100000000, -0.0000641300000000, -0.0001784200000000 ] - [ -0.0000299100000000, -0.0001624800000000, -0.0003008700000000 ] - [ 0.0001295800000000, -0.0001183700000000, -0.0002562200000000 ] - [ -0.0000954300000000, -0.0000683200000000, -0.0002619900000000 ] - [ 0.0001712100000000, -0.0001743700000000, -0.0002412600000000 ] - [ -0.1831165800000000, 0.1952220900000000, -0.1370141700000000 ] - [ 0.0014485500000000, 0.0000880700000000, -0.0003771000000000 ] - [ -0.0001325100000000, -0.0005325300000000, -0.0002995700000000 ] - [ 0.0003894400000000, -0.0002732400000000, -0.0001995400000000 ] - [ -0.0004477100000000, -0.0003111900000000, -0.0002937300000000 ] - [ 0.0006099000000000, -0.0004776400000000, -0.0004075600000000 ] - [ 0.0011846800000000, 0.0012080900000000, -0.0017948400000000 ] - [ 0.0010022100000000, 0.0018340400000000, 0.0025411800000000 ] - [ -0.0000229900000000, -0.0002678600000000, -0.0005166400000000 ] - [ -0.0000998100000000, -0.0000996100000000, -0.0002041000000000 ] - [ 0.0000537500000000, -0.0000288200000000, -0.0003301100000000 ] - [ -0.0002143800000000, -0.0003782000000000, 0.0000973600000000 ] - [ 0.0008272300000000, 0.0009263700000000, 0.0000797900000000 ] - [ 0.0004251200000000, 0.0010689900000000, -0.0007196900000000 ] - [ 0.0000326400000000, -0.0003718600000000, -0.0001507900000000 ] - [ -0.0001598800000000, -0.0001707000000000, -0.0001949600000000 ] - [ 0.0000057000000000, -0.0000523900000000, -0.0002920500000000 ] - [ -0.0001635100000000, -0.0004737200000000, -0.0004145600000000 ] - [ -0.0015147600000000, -0.0000814900000000, 0.0006335000000000 ] - [ 0.0007655400000000, -0.0003770200000000, -0.0000977500000000 ] - [ -0.0007599200000000, 0.0001959100000000, -0.0017788000000000 ] - [ 0.0005667200000000, -0.0000298900000000, -0.0003364000000000 ] - [ -0.0000159400000000, -0.0002142000000000, -0.0002764100000000 ] - [ 0.0001647500000000, -0.0002334300000000, -0.0002594400000000 ] - [ -0.0007692400000000, 0.0002736500000000, -0.0006483200000000 ] - [ 0.0006012000000000, -0.0001767000000000, -0.0004038000000000 ] - [ -0.0000869300000000, -0.0008022600000000, 0.0003558300000000 ] - [ 0.0004216200000000, -0.0000128300000000, -0.0001886100000000 ] - [ -0.0000099800000000, -0.0002641700000000, -0.0002709200000000 ] - [ 0.0001571900000000, -0.0002534100000000, -0.0002718900000000 ] - [ 0.0001335500000000, 0.0002183700000000, -0.0003712500000000 ] - [ -0.0001023800000000, -0.0001042500000000, -0.0000104200000000 ] - [ 0.0001327900000000, 0.0000610400000000, -0.0004090600000000 ] - [ -0.0000226600000000, 0.0001867600000000, -0.0000560400000000 ] - [ -0.0000336700000000, -0.0001723800000000, -0.0002870600000000 ] - [ -0.0000891600000000, -0.0002021900000000, -0.0002384500000000 ] - [ 0.0008216500000000, 0.0012295500000000, 0.0006121400000000 ] - [ 0.0008052600000000, -0.0035990100000000, -0.0008606900000000 ] - [ 0.0023048500000000, -0.0013583700000000, 0.0004056800000000 ] - [ 0.0004270100000000, 0.0008647700000000, -0.0007731600000000 ] - [ -0.0000393500000000, -0.0002813700000000, -0.0002913400000000 ] - [ -0.0001370600000000, -0.0003388500000000, -0.0002611700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.2094611800000000, -0.2297519000000000, 0.1613049600000000 ] - [ 0.0000260200000000, -0.0007567600000000, 0.0001864100000000 ] - [ 0.0000810700000000, 0.0000874100000000, -0.0000996000000000 ] - [ -0.0001295600000000, -0.0000308200000000, -0.0000256600000000 ] - [ -0.0000364300000000, 0.0001434200000000, -0.0000182800000000 ] - [ -0.0000838000000000, 0.0000266600000000, 0.0000301800000000 ] - [ 0.0004307800000000, -0.0007075900000000, 0.0002858900000000 ] - [ 0.0000943500000000, -0.0005271400000000, 0.0001407200000000 ] - [ 0.0001235100000000, -0.0002665600000000, 0.0001146100000000 ] - [ 0.0000656500000000, -0.0002665800000000, 0.0000802000000000 ] - [ 0.0000726500000000, -0.0002076900000000, -0.0000007300000000 ] - [ 0.0000776400000000, -0.0002076800000000, 0.0000581400000000 ] - [ -0.0175136700000000, 0.0190154000000000, -0.0137259200000000 ] - [ -0.0001699300000000, 0.0000009500000000, 0.0000719000000000 ] - [ -0.0003224900000000, 0.0007696400000000, 0.0002883000000000 ] - [ -0.0003544200000000, 0.0007147400000000, 0.0002537400000000 ] - [ -0.0001252200000000, 0.0010361700000000, 0.0005100400000000 ] - [ -0.0005465800000000, 0.0007646900000000, 0.0003347600000000 ] - [ 0.0001884900000000, 0.0000083100000000, -0.0001585600000000 ] - [ -0.0001615500000000, 0.0002055700000000, 0.0001158200000000 ] - [ -0.0002402400000000, 0.0005372900000000, 0.0002494200000000 ] - [ -0.0002430900000000, 0.0005276700000000, 0.0002157500000000 ] - [ -0.0001420700000000, 0.0004317800000000, 0.0000675200000000 ] - [ -0.0002231000000000, 0.0004625900000000, 0.0001641100000000 ] - [ 0.0020107900000000, -0.0001051200000000, 0.0006278100000000 ] - [ -0.0011967200000000, -0.0001009100000000, -0.0005714100000000 ] - [ -0.0003078700000000, 0.0009485200000000, 0.0000993500000000 ] - [ 0.0006587100000000, 0.0009450200000000, 0.0001306600000000 ] - [ 0.0003328700000000, 0.0006469600000000, 0.0002882800000000 ] - [ 0.0002641700000000, 0.0006468900000000, 0.0002745100000000 ] - [ 0.0001766500000000, 0.0001989200000000, -0.0000199700000000 ] - [ 0.0000328100000000, 0.0002002600000000, -0.0000123300000000 ] - [ 0.0000851000000000, 0.0003799200000000, 0.0001520800000000 ] - [ 0.0001105900000000, 0.0003795300000000, 0.0001483100000000 ] - [ 0.0002507600000000, 0.0004992600000000, 0.0002130700000000 ] - [ 0.0002211000000000, 0.0004994300000000, 0.0002087100000000 ] - [ 0.0012303600000000, 0.0010931000000000, -0.0008727200000000 ] - [ -0.0008941600000000, 0.0000439200000000, 0.0001783000000000 ] - [ 0.0000317300000000, -0.0000735300000000, -0.0000086700000000 ] - [ 0.0000144800000000, -0.0000731600000000, 0.0000031200000000 ] - [ -0.0023439100000000, 0.0009987600000000, 0.0005777600000000 ] - [ -0.0000423800000000, -0.0000186600000000, 0.0001403900000000 ] - [ -0.0001021800000000, -0.0004348900000000, 0.0001978700000000 ] - [ -0.0002208400000000, -0.0003890100000000, 0.0001816100000000 ] - [ -0.0000286400000000, -0.0002071700000000, 0.0000329500000000 ] - [ -0.0000417900000000, -0.0002078200000000, 0.0000384300000000 ] - [ -0.0002622100000000, -0.0004913200000000, 0.0001115500000000 ] - [ -0.0002239500000000, -0.0004468400000000, 0.0001272000000000 ] - [ 0.0002257200000000, -0.0006263700000000, 0.0009772000000000 ] - [ 0.0000187400000000, -0.0003409700000000, 0.0002187900000000 ] - [ -0.0000007500000000, -0.0001392400000000, 0.0000080600000000 ] - [ -0.0000144900000000, -0.0001564700000000, 0.0000283600000000 ] - [ -0.0008417500000000, -0.0004938900000000, -0.0016119300000000 ] - [ 0.0001530000000000, -0.0003853400000000, 0.0000315900000000 ] - [ 0.0005435400000000, -0.0004517300000000, -0.0000683200000000 ] - [ -0.0001035400000000, -0.0003273200000000, -0.0000431900000000 ] - [ 0.0000460300000000, -0.0001387100000000, 0.0000109500000000 ] - [ 0.0000052100000000, -0.0001561600000000, 0.0000194000000000 ] - [ 0.0007165800000000, -0.0006831900000000, 0.0010387200000000 ] - [ 0.0000689400000000, -0.0003976600000000, 0.0001889100000000 ] - [ -0.0000573300000000, -0.0007694300000000, -0.0014621700000000 ] - [ -0.0002503600000000, 0.0002744300000000, 0.0000123600000000 ] - [ -0.0005224200000000, 0.0004903500000000, 0.0009829000000000 ] - [ -0.0001753500000000, 0.0004556500000000, 0.0002511100000000 ] - [ -0.0002621300000000, 0.0005746900000000, 0.0002294400000000 ] - [ -0.0002970900000000, 0.0005555400000000, 0.0002268900000000 ] - [ 0.0003630400000000, -0.0007820200000000, 0.0001439600000000 ] - [ -0.0004150700000000, 0.0002745000000000, 0.0003212700000000 ] - [ 0.0000648500000000, 0.0004849900000000, -0.0002069200000000 ] - [ -0.0002135900000000, 0.0004548400000000, 0.0000864600000000 ] - [ -0.0002179400000000, 0.0005740200000000, 0.0002680200000000 ] - [ -0.0002740400000000, 0.0005547000000000, 0.0002528400000000 ] - [ -0.0003325500000000, -0.0002432700000000, 0.0003301700000000 ] - [ -0.0003359000000000, -0.0001684900000000, -0.0000324200000000 ] - [ 0.0002810800000000, 0.0005971700000000, 0.0003245300000000 ] - [ 0.0003335500000000, 0.0006341600000000, 0.0002869300000000 ] - [ 0.0004750300000000, 0.0007002100000000, 0.0002030300000000 ] - [ 0.0001190600000000, 0.0004962700000000, 0.0000149000000000 ] - [ -0.0009401000000000, -0.0001688900000000, -0.0012405900000000 ] - [ -0.0002291900000000, -0.0002451200000000, -0.0001578000000000 ] - [ 0.0002479400000000, 0.0006335000000000, 0.0002012200000000 ] - [ 0.0002600900000000, 0.0005962300000000, 0.0002034100000000 ] - [ 0.0002582300000000, 0.0004952500000000, 0.0002735300000000 ] - [ 0.0001309900000000, 0.0007004500000000, 0.0004236100000000 ] - [ -0.0008093900000000, -0.0011484300000000, 0.0001218700000000 ] - [ -0.0005989300000000, -0.0011006500000000, 0.0007681300000000 ] - [ 0.0000675100000000, -0.0001366200000000, 0.0000833700000000 ] - [ -0.0001197500000000, -0.0002303800000000, 0.0001761900000000 ] - [ -0.0000436200000000, -0.0001160900000000, -0.0000970600000000 ] - [ 0.0000701900000000, -0.0000310800000000, -0.0000208700000000 ] - [ -0.0005356500000000, -0.0011462700000000, 0.0010400300000000 ] - [ -0.0007797800000000, -0.0010995200000000, 0.0004404700000000 ] - [ -0.0000188500000000, -0.0001744800000000, -0.0000289200000000 ] - [ -0.0001250400000000, -0.0000880100000000, -0.0000928200000000 ] - [ -0.0000775100000000, -0.0000778600000000, 0.0001058600000000 ] - [ -0.0000774600000000, -0.0001714100000000, 0.0000970200000000 ] - [ -0.0005627100000000, 0.0007710500000000, -0.0001529300000000 ] - [ 0.0001294800000000, 0.0002587500000000, -0.0002775900000000 ] - [ 0.0000745700000000, -0.0003209400000000, -0.0004127700000000 ] - [ 0.0001295600000000, -0.0002535400000000, -0.0003029100000000 ] - [ 0.0000448600000000, -0.0002537200000000, 0.0000277900000000 ] - [ 0.0001246900000000, -0.0001841200000000, -0.0001983000000000 ] - [ -0.1957415600000000, 0.2101901000000000, -0.1473428900000000 ] - [ 0.0006181900000000, 0.0008236700000000, -0.0002866600000000 ] - [ 0.0001014400000000, -0.0009038600000000, -0.0001100800000000 ] - [ 0.0002730800000000, -0.0006064900000000, -0.0001282800000000 ] - [ 0.0000725000000000, -0.0012243100000000, -0.0006029000000000 ] - [ 0.0004033600000000, -0.0005940400000000, -0.0004766400000000 ] - [ 0.0008863100000000, 0.0016989800000000, -0.0013243600000000 ] - [ 0.0010934600000000, 0.0016001900000000, -0.0001096600000000 ] - [ -0.0000390800000000, -0.0005011300000000, -0.0005192800000000 ] - [ -0.0002779800000000, -0.0004786900000000, -0.0003311800000000 ] - [ -0.0004028700000000, -0.0005217600000000, -0.0002715100000000 ] - [ 0.0000702100000000, -0.0005363800000000, 0.0001170800000000 ] - [ 0.0012540400000000, 0.0013741000000000, 0.0003453300000000 ] - [ 0.0005430400000000, 0.0011169500000000, -0.0004468500000000 ] - [ -0.0000894500000000, -0.0004930300000000, -0.0001432600000000 ] - [ -0.0001676400000000, -0.0003745000000000, -0.0001720200000000 ] - [ -0.0001350900000000, -0.0002400800000000, -0.0003411500000000 ] - [ -0.0000837800000000, -0.0004642700000000, -0.0004396100000000 ] - [ 0.0011121300000000, 0.0011701500000000, 0.0035794900000000 ] - [ 0.0002568800000000, 0.0001504200000000, 0.0000124000000000 ] - [ 0.0002506600000000, -0.0003482600000000, -0.0024530200000000 ] - [ 0.0002209700000000, -0.0000079800000000, -0.0005011100000000 ] - [ 0.0001433400000000, -0.0005580500000000, -0.0002448600000000 ] - [ 0.0001786400000000, -0.0004662900000000, -0.0002709200000000 ] - [ -0.0009546400000000, 0.0008112300000000, -0.0012751300000000 ] - [ 0.0003644400000000, 0.0001508300000000, -0.0004082600000000 ] - [ -0.0004064000000000, -0.0001621400000000, 0.0003831500000000 ] - [ 0.0002944100000000, -0.0000158500000000, -0.0001019100000000 ] - [ 0.0000943300000000, -0.0004853000000000, -0.0002766400000000 ] - [ 0.0001718600000000, -0.0004185700000000, -0.0002758200000000 ] - [ -0.0000323300000000, 0.0002291100000000, -0.0000781000000000 ] - [ 0.0002321300000000, 0.0003134400000000, 0.0000229200000000 ] - [ 0.0001106300000000, 0.0000865500000000, -0.0004484000000000 ] - [ -0.0000537500000000, 0.0000982800000000, -0.0003869500000000 ] - [ -0.0001309100000000, -0.0003661300000000, -0.0002624900000000 ] - [ -0.0001163400000000, -0.0003728200000000, -0.0002319400000000 ] - [ -0.0005633000000000, -0.0000523100000000, -0.0007788000000000 ] - [ 0.0039265200000000, -0.0001625800000000, -0.0008128100000000 ] - [ 0.0020203100000000, -0.0019897200000000, 0.0005269500000000 ] - [ -0.0009640400000000, -0.0005343600000000, 0.0007580400000000 ] - [ -0.0001902600000000, -0.0006088900000000, -0.0003160300000000 ] - [ -0.0001483300000000, -0.0006371600000000, -0.0002782500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.2005960000000000, 0.2243817200000000, -0.1542266900000000 ] - [ 0.0002330200000000, -0.0000179300000000, 0.0000694500000000 ] - [ 0.0002486800000000, -0.0008561900000000, 0.0003797200000000 ] - [ 0.0004580300000000, -0.0007359600000000, 0.0003055500000000 ] - [ 0.0003211300000000, -0.0007945200000000, 0.0002823300000000 ] - [ 0.0003698900000000, -0.0006777600000000, 0.0002340800000000 ] - [ -0.0001725500000000, -0.0000667100000000, -0.0000257100000000 ] - [ 0.0001651200000000, -0.0002486700000000, 0.0001191300000000 ] - [ 0.0002043900000000, -0.0005014700000000, 0.0001695400000000 ] - [ 0.0002638900000000, -0.0005010500000000, 0.0002035100000000 ] - [ 0.0002116800000000, -0.0004418800000000, 0.0002678800000000 ] - [ 0.0002081900000000, -0.0004425300000000, 0.0002089200000000 ] - [ 0.0166292500000000, -0.0180922300000000, 0.0135814500000000 ] - [ -0.0001163900000000, 0.0006498700000000, 0.0001915300000000 ] - [ -0.0000043700000000, -0.0000061500000000, -0.0000104000000000 ] - [ 0.0000257300000000, 0.0000496700000000, 0.0000250700000000 ] - [ -0.0001350000000000, -0.0002646200000000, -0.0002567200000000 ] - [ 0.0002894600000000, 0.0000094300000000, -0.0000796200000000 ] - [ -0.0004754400000000, 0.0006429500000000, 0.0004282400000000 ] - [ -0.0001246000000000, 0.0004437800000000, 0.0001512700000000 ] - [ -0.0000877500000000, 0.0002261000000000, 0.0000321500000000 ] - [ -0.0000849800000000, 0.0002363900000000, 0.0000663300000000 ] - [ -0.0001185100000000, 0.0003447100000000, 0.0001929700000000 ] - [ -0.0000365900000000, 0.0003139800000000, 0.0000958000000000 ] - [ -0.0016924100000000, 0.0008748900000000, -0.0003441200000000 ] - [ 0.0015445700000000, 0.0008781500000000, 0.0008660800000000 ] - [ 0.0005708000000000, -0.0001662400000000, 0.0001592800000000 ] - [ -0.0004010400000000, -0.0001718500000000, 0.0001247500000000 ] - [ -0.0000495000000000, -0.0000000100000000, -0.0000257600000000 ] - [ 0.0000194800000000, -0.0000002600000000, -0.0000119200000000 ] - [ 0.0001509800000000, 0.0005671900000000, 0.0003033700000000 ] - [ 0.0002963300000000, 0.0005679500000000, 0.0002971400000000 ] - [ 0.0001760300000000, 0.0003961600000000, 0.0001088400000000 ] - [ 0.0001482200000000, 0.0003952900000000, 0.0001116200000000 ] - [ 0.0000332800000000, 0.0001483800000000, 0.0000531500000000 ] - [ 0.0000632100000000, 0.0001484400000000, 0.0000575500000000 ] - [ -0.0015126000000000, -0.0017224900000000, 0.0011363400000000 ] - [ 0.0006013400000000, -0.0006893000000000, 0.0000839300000000 ] - [ -0.0002932300000000, -0.0007053800000000, 0.0002663100000000 ] - [ -0.0002747800000000, -0.0007048400000000, 0.0002537500000000 ] - [ 0.0020512400000000, -0.0018137800000000, -0.0002948600000000 ] - [ -0.0002862300000000, -0.0007498700000000, 0.0001391900000000 ] - [ -0.0001850600000000, -0.0002162700000000, 0.0000706700000000 ] - [ -0.0000633700000000, -0.0002602200000000, 0.0000849400000000 ] - [ -0.0002333600000000, -0.0005718000000000, 0.0002283800000000 ] - [ -0.0002184100000000, -0.0005701100000000, 0.0002219000000000 ] - [ -0.0000652500000000, -0.0002724200000000, 0.0001705100000000 ] - [ -0.0001033000000000, -0.0003176400000000, 0.0001543000000000 ] - [ 0.0000605300000000, -0.0000264800000000, -0.0007113800000000 ] - [ 0.0002672700000000, -0.0003096600000000, 0.0000477300000000 ] - [ 0.0002614000000000, -0.0006396600000000, 0.0002521300000000 ] - [ 0.0002760000000000, -0.0006225200000000, 0.0002314400000000 ] - [ 0.0011905500000000, -0.0002653400000000, 0.0019140800000000 ] - [ 0.0001751900000000, -0.0003801400000000, 0.0002502300000000 ] - [ -0.0002589200000000, -0.0002255000000000, 0.0003561400000000 ] - [ 0.0003882700000000, -0.0003222400000000, 0.0003073200000000 ] - [ 0.0002132200000000, -0.0006391400000000, 0.0002473100000000 ] - [ 0.0002554700000000, -0.0006220600000000, 0.0002398500000000 ] - [ -0.0003937700000000, -0.0000811300000000, -0.0007637100000000 ] - [ 0.0002581100000000, -0.0003658800000000, 0.0000906800000000 ] - [ -0.0002709500000000, 0.0015628800000000, 0.0017633400000000 ] - [ -0.0000777100000000, 0.0004916500000000, 0.0002697100000000 ] - [ 0.0002621900000000, 0.0002854700000000, -0.0007247900000000 ] - [ -0.0000859300000000, 0.0003212500000000, 0.0000083200000000 ] - [ -0.0000232100000000, 0.0000733300000000, 0.0000356400000000 ] - [ 0.0000120900000000, 0.0000929000000000, 0.0000380400000000 ] - [ -0.0006976500000000, 0.0015508000000000, 0.0001305700000000 ] - [ 0.0000874400000000, 0.0004919200000000, -0.0000421700000000 ] - [ -0.0003181900000000, 0.0002795700000000, 0.0004589300000000 ] - [ -0.0000467000000000, 0.0003201500000000, 0.0001714300000000 ] - [ -0.0000662200000000, 0.0000724100000000, -0.0000051400000000 ] - [ -0.0000097100000000, 0.0000920800000000, 0.0000108200000000 ] - [ 0.0006229300000000, 0.0008958600000000, -0.0000643600000000 ] - [ 0.0006227100000000, 0.0008190100000000, 0.0003035200000000 ] - [ 0.0000475500000000, 0.0001678200000000, -0.0000422700000000 ] - [ -0.0000059100000000, 0.0001302800000000, -0.0000059100000000 ] - [ -0.0002184700000000, 0.0000736000000000, 0.0000553000000000 ] - [ 0.0001413800000000, 0.0002802000000000, 0.0002451400000000 ] - [ 0.0012379300000000, 0.0008205100000000, 0.0015126900000000 ] - [ 0.0005081600000000, 0.0008927800000000, 0.0004214600000000 ] - [ 0.0000793600000000, 0.0001295400000000, 0.0000781300000000 ] - [ 0.0000654000000000, 0.0001656500000000, 0.0000759700000000 ] - [ -0.0000000800000000, 0.0002796900000000, -0.0000164900000000 ] - [ 0.0001285100000000, 0.0000738400000000, -0.0001673500000000 ] - [ 0.0005442200000000, 0.0003732000000000, 0.0001369800000000 ] - [ 0.0003398600000000, 0.0003271200000000, -0.0005111100000000 ] - [ -0.0003984800000000, -0.0006320500000000, 0.0001992600000000 ] - [ -0.0002096300000000, -0.0005373400000000, 0.0001061900000000 ] - [ -0.0002427900000000, -0.0005349200000000, 0.0003640500000000 ] - [ -0.0003570700000000, -0.0006205900000000, 0.0002870000000000 ] - [ 0.0002607900000000, 0.0003753400000000, -0.0007701200000000 ] - [ 0.0005252500000000, 0.0003283600000000, -0.0001866700000000 ] - [ -0.0003120500000000, -0.0005944500000000, 0.0003110700000000 ] - [ -0.0002025200000000, -0.0006780400000000, 0.0003724100000000 ] - [ -0.0002078400000000, -0.0005724300000000, 0.0001586700000000 ] - [ -0.0002068500000000, -0.0004777100000000, 0.0001666000000000 ] - [ 0.0005677100000000, -0.0007757000000000, -0.0003905600000000 ] - [ -0.0001262900000000, -0.0002606100000000, -0.0002634500000000 ] - [ -0.0000755600000000, 0.0003239000000000, -0.0001192300000000 ] - [ -0.0001307000000000, 0.0002555900000000, -0.0002290400000000 ] - [ -0.0000479900000000, 0.0002534000000000, -0.0005703500000000 ] - [ -0.0001288800000000, 0.0001838700000000, -0.0003424100000000 ] - [ 0.1877845900000000, -0.2057887500000000, 0.1403808000000000 ] - [ -0.0006150200000000, -0.0008283500000000, -0.0002493000000000 ] - [ -0.0001056700000000, 0.0009092000000000, -0.0004188000000000 ] - [ -0.0002731400000000, 0.0006084300000000, -0.0004021500000000 ] - [ -0.0000748000000000, 0.0012308200000000, 0.0000668100000000 ] - [ -0.0004084400000000, 0.0005954500000000, -0.0000606000000000 ] - [ -0.0008960100000000, -0.0017075900000000, 0.0007842500000000 ] - [ -0.0010864400000000, -0.0016012700000000, -0.0004333600000000 ] - [ 0.0000386400000000, 0.0005027200000000, -0.0000121900000000 ] - [ 0.0002795700000000, 0.0004814200000000, -0.0001995900000000 ] - [ 0.0004089300000000, 0.0005242000000000, -0.0002669900000000 ] - [ -0.0000690700000000, 0.0005382100000000, -0.0006594700000000 ] - [ -0.0012689600000000, -0.0013847600000000, -0.0008875500000000 ] - [ -0.0005299300000000, -0.0011157500000000, -0.0001012500000000 ] - [ 0.0000876000000000, 0.0004958400000000, -0.0003878700000000 ] - [ 0.0001705200000000, 0.0003791000000000, -0.0003599700000000 ] - [ 0.0001386500000000, 0.0002397500000000, -0.0001972400000000 ] - [ 0.0000859300000000, 0.0004644600000000, -0.0000981000000000 ] - [ -0.0011431800000000, -0.0012149200000000, -0.0041536900000000 ] - [ -0.0002584100000000, -0.0001519700000000, -0.0005452100000000 ] - [ -0.0002566000000000, 0.0003515200000000, 0.0019145300000000 ] - [ -0.0002239200000000, 0.0000057100000000, -0.0000386100000000 ] - [ -0.0001416200000000, 0.0005623300000000, -0.0002947500000000 ] - [ -0.0001767400000000, 0.0004695800000000, -0.0002687700000000 ] - [ 0.0009608700000000, -0.0008182300000000, 0.0007478800000000 ] - [ -0.0003650300000000, -0.0001546000000000, -0.0001219800000000 ] - [ 0.0003907000000000, 0.0001844100000000, -0.0009298000000000 ] - [ -0.0002968200000000, 0.0000156300000000, -0.0004380100000000 ] - [ -0.0000925800000000, 0.0004896400000000, -0.0002620300000000 ] - [ -0.0001710200000000, 0.0004229400000000, -0.0002631200000000 ] - [ 0.0000324900000000, -0.0002314500000000, -0.0004551900000000 ] - [ -0.0002352800000000, -0.0003190000000000, -0.0005578200000000 ] - [ -0.0001110700000000, -0.0000897600000000, -0.0000917900000000 ] - [ 0.0000588800000000, -0.0000978800000000, -0.0001543400000000 ] - [ 0.0001284100000000, 0.0003692300000000, -0.0002774300000000 ] - [ 0.0001140700000000, 0.0003758200000000, -0.0003084300000000 ] - [ 0.0005662800000000, 0.0000531800000000, 0.0002484400000000 ] - [ -0.0039785200000000, 0.0001707600000000, 0.0002758000000000 ] - [ -0.0020127700000000, 0.0019702300000000, -0.0010575900000000 ] - [ 0.0009776900000000, 0.0005433600000000, -0.0012966000000000 ] - [ 0.0001881200000000, 0.0006128800000000, -0.0002217800000000 ] - [ 0.0001464900000000, 0.0006422400000000, -0.0002599500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1443070600000000, 0.1546657200000000, -0.1773660100000000 ] - [ 0.0003347100000000, -0.0003305300000000, 0.0000278600000000 ] - [ 0.0001738600000000, -0.0005342900000000, 0.0001232000000000 ] - [ 0.0002892700000000, -0.0004860600000000, 0.0001509900000000 ] - [ 0.0001716200000000, -0.0005637300000000, 0.0001148500000000 ] - [ 0.0002598500000000, -0.0004903600000000, 0.0001426400000000 ] - [ -0.0000549800000000, -0.0002338300000000, 0.0004552700000000 ] - [ 0.0002199300000000, -0.0003785000000000, 0.0003195100000000 ] - [ 0.0001641700000000, -0.0005178200000000, 0.0002829600000000 ] - [ 0.0002280500000000, -0.0004591100000000, 0.0002243300000000 ] - [ 0.0001909400000000, -0.0003521500000000, 0.0002749500000000 ] - [ 0.0001955300000000, -0.0003870800000000, 0.0002161700000000 ] - [ -0.0132574000000000, 0.0139293300000000, -0.0294598600000000 ] - [ 0.0001164000000000, 0.0003844400000000, -0.0001598200000000 ] - [ -0.0000664000000000, 0.0002340800000000, -0.0000103100000000 ] - [ -0.0000830700000000, 0.0002685900000000, 0.0000610600000000 ] - [ -0.0001825000000000, 0.0000056000000000, -0.0002402600000000 ] - [ 0.0000794800000000, 0.0001817200000000, -0.0000389400000000 ] - [ -0.0004078000000000, 0.0006184900000000, 0.0007296900000000 ] - [ -0.0001223800000000, 0.0003426600000000, 0.0003089600000000 ] - [ -0.0001326100000000, 0.0002750000000000, 0.0001346400000000 ] - [ -0.0001302800000000, 0.0003086600000000, 0.0001438300000000 ] - [ -0.0001247000000000, 0.0004520900000000, 0.0003220500000000 ] - [ -0.0000726000000000, 0.0003549700000000, 0.0001673500000000 ] - [ -0.0001473400000000, 0.0011018600000000, -0.0003792900000000 ] - [ 0.0012502500000000, -0.0001065800000000, -0.0003870700000000 ] - [ 0.0002547200000000, 0.0003848100000000, 0.0000696200000000 ] - [ 0.0001873000000000, 0.0004185200000000, 0.0000689100000000 ] - [ 0.0000625100000000, 0.0001821900000000, 0.0000289800000000 ] - [ 0.0000848800000000, 0.0001682500000000, 0.0000290800000000 ] - [ 0.0002032600000000, 0.0005378100000000, 0.0004667600000000 ] - [ 0.0001957600000000, 0.0005452400000000, 0.0004671000000000 ] - [ 0.0002249700000000, 0.0003707700000000, 0.0002642300000000 ] - [ 0.0001573000000000, 0.0003670700000000, 0.0002647100000000 ] - [ 0.0000949800000000, 0.0002497300000000, 0.0001326400000000 ] - [ 0.0001016900000000, 0.0002454800000000, 0.0001326900000000 ] - [ -0.0007184700000000, 0.0001087800000000, -0.0004026000000000 ] - [ -0.0000072300000000, -0.0003269300000000, -0.0000047000000000 ] - [ -0.0002083100000000, -0.0005262500000000, 0.0001573000000000 ] - [ -0.0001807100000000, -0.0005139700000000, 0.0001475500000000 ] - [ 0.0004627500000000, -0.0013938700000000, -0.0004034600000000 ] - [ -0.0000676800000000, -0.0003355000000000, 0.0000024000000000 ] - [ -0.0002227700000000, -0.0003554700000000, 0.0004128900000000 ] - [ -0.0000553900000000, -0.0003390500000000, 0.0002368400000000 ] - [ -0.0001923500000000, -0.0004868200000000, 0.0002158100000000 ] - [ -0.0001689400000000, -0.0004805800000000, 0.0002037500000000 ] - [ -0.0002318300000000, -0.0003197600000000, 0.0004211800000000 ] - [ -0.0001078800000000, -0.0003349300000000, 0.0002444900000000 ] - [ -0.0002829900000000, 0.0005777600000000, -0.0004297300000000 ] - [ 0.0002450900000000, -0.0002766600000000, 0.0001237800000000 ] - [ 0.0001882400000000, -0.0005071600000000, 0.0001871100000000 ] - [ 0.0002026800000000, -0.0004995700000000, 0.0001789000000000 ] - [ 0.0011685500000000, -0.0005947300000000, 0.0015811600000000 ] - [ 0.0003175700000000, -0.0005587900000000, 0.0002435700000000 ] - [ -0.0001536300000000, -0.0020901400000000, 0.0015722700000000 ] - [ 0.0003421900000000, -0.0004350200000000, 0.0002363000000000 ] - [ 0.0001627300000000, -0.0005104400000000, 0.0001865000000000 ] - [ 0.0001934300000000, -0.0004902400000000, 0.0001781700000000 ] - [ -0.0004151800000000, 0.0004622700000000, -0.0004201700000000 ] - [ 0.0002041500000000, -0.0002973700000000, 0.0001318300000000 ] - [ -0.0000563000000000, 0.0003710300000000, 0.0012336800000000 ] - [ 0.0001435500000000, 0.0002009500000000, 0.0000896500000000 ] - [ -0.0002558100000000, 0.0007232300000000, -0.0001354800000000 ] - [ -0.0000743700000000, 0.0004312400000000, 0.0001062300000000 ] - [ -0.0000874300000000, 0.0001890700000000, 0.0000784300000000 ] - [ -0.0000623800000000, 0.0002044200000000, 0.0000840600000000 ] - [ -0.0003351800000000, 0.0019989500000000, 0.0012334300000000 ] - [ -0.0001319800000000, 0.0005123600000000, 0.0000907500000000 ] - [ 0.0002331600000000, -0.0004636800000000, -0.0001352700000000 ] - [ -0.0000515500000000, 0.0002669800000000, 0.0001062400000000 ] - [ -0.0001103700000000, 0.0002284200000000, 0.0000781500000000 ] - [ -0.0000879900000000, 0.0002307500000000, 0.0000841700000000 ] - [ 0.0001931400000000, 0.0006146600000000, -0.0001192800000000 ] - [ 0.0010598700000000, 0.0017045500000000, 0.0014817300000000 ] - [ 0.0001311000000000, 0.0003202500000000, 0.0000820800000000 ] - [ 0.0001357000000000, 0.0003221800000000, 0.0001088400000000 ] - [ -0.0001645200000000, 0.0000930700000000, 0.0000250300000000 ] - [ 0.0001382200000000, 0.0002436900000000, 0.0001480500000000 ] - [ 0.0018040100000000, 0.0004951800000000, 0.0014802300000000 ] - [ -0.0003088100000000, 0.0001249900000000, -0.0001193400000000 ] - [ 0.0001488900000000, 0.0002365000000000, 0.0001080300000000 ] - [ 0.0000343000000000, 0.0001995400000000, 0.0000815400000000 ] - [ 0.0001956300000000, 0.0005046700000000, 0.0001489400000000 ] - [ 0.0001143900000000, 0.0003157200000000, 0.0000258800000000 ] - [ 0.0014586100000000, 0.0005181700000000, 0.0012086900000000 ] - [ 0.0000471800000000, -0.0000755700000000, -0.0002059000000000 ] - [ -0.0002305700000000, -0.0004101000000000, 0.0001509700000000 ] - [ -0.0001633100000000, -0.0004185700000000, 0.0001284900000000 ] - [ -0.0002045200000000, -0.0004949700000000, 0.0002573000000000 ] - [ -0.0003113200000000, -0.0005578700000000, 0.0002154600000000 ] - [ -0.0014100500000000, -0.0003983200000000, 0.0011979100000000 ] - [ 0.0007082800000000, 0.0002494100000000, -0.0002038400000000 ] - [ -0.0003719800000000, -0.0006141300000000, 0.0002653500000000 ] - [ -0.0001531700000000, -0.0005376500000000, 0.0002234600000000 ] - [ -0.0001839900000000, -0.0003824000000000, 0.0001428000000000 ] - [ -0.0000840800000000, -0.0002892000000000, 0.0001198400000000 ] - [ 0.0004782200000000, -0.0005529900000000, -0.0012100400000000 ] - [ -0.0002049500000000, -0.0000277600000000, -0.0006271600000000 ] - [ -0.0000306600000000, 0.0002195400000000, -0.0003606500000000 ] - [ -0.0000744800000000, 0.0001242200000000, -0.0003469800000000 ] - [ -0.0000122300000000, 0.0000966500000000, -0.0006589400000000 ] - [ -0.0000915100000000, 0.0000999100000000, -0.0004018700000000 ] - [ 0.1594218900000000, -0.1700492200000000, 0.2037533300000000 ] - [ -0.0006013700000000, -0.0001544500000000, 0.0001585400000000 ] - [ -0.0000803400000000, 0.0003964100000000, -0.0000796800000000 ] - [ -0.0001396600000000, 0.0001862900000000, -0.0002124000000000 ] - [ 0.0000267100000000, 0.0005503600000000, 0.0001438400000000 ] - [ -0.0002337800000000, 0.0002703100000000, -0.0000762300000000 ] - [ 0.0000269100000000, -0.0008420400000000, 0.0004188200000000 ] - [ -0.0025649200000000, -0.0027171500000000, -0.0017783600000000 ] - [ 0.0000138800000000, 0.0001355900000000, -0.0001399000000000 ] - [ 0.0000716600000000, 0.0000837900000000, -0.0002223300000000 ] - [ 0.0003109200000000, 0.0004185600000000, -0.0001240900000000 ] - [ -0.0000824400000000, 0.0004643900000000, -0.0003610500000000 ] - [ -0.0018393700000000, -0.0011244700000000, -0.0010985300000000 ] - [ 0.0012387600000000, 0.0003002300000000, -0.0005813800000000 ] - [ -0.0000817500000000, 0.0003443300000000, -0.0003676100000000 ] - [ 0.0002270100000000, 0.0003310500000000, -0.0003988000000000 ] - [ -0.0000816200000000, -0.0000943000000000, -0.0003517400000000 ] - [ 0.0001301500000000, 0.0000459700000000, -0.0002919500000000 ] - [ -0.0012491700000000, 0.0009898500000000, -0.0029197600000000 ] - [ -0.0004268400000000, 0.0002617700000000, -0.0002210900000000 ] - [ 0.0006561300000000, -0.0009625700000000, 0.0010845500000000 ] - [ -0.0002962800000000, -0.0001968400000000, -0.0001348000000000 ] - [ -0.0000608900000000, 0.0002844600000000, -0.0002414700000000 ] - [ -0.0000892800000000, 0.0002244400000000, -0.0002406700000000 ] - [ 0.0009233000000000, -0.0018233500000000, -0.0005658200000000 ] - [ -0.0001827500000000, -0.0002281200000000, -0.0003555400000000 ] - [ -0.0005624500000000, 0.0018502800000000, -0.0010141400000000 ] - [ -0.0001627200000000, 0.0002112800000000, -0.0004439300000000 ] - [ -0.0000374700000000, 0.0002178000000000, -0.0003051800000000 ] - [ -0.0000792700000000, 0.0001792100000000, -0.0003015600000000 ] - [ -0.0000176000000000, -0.0001552100000000, -0.0006652300000000 ] - [ -0.0000433100000000, -0.0001161800000000, -0.0009703000000000 ] - [ -0.0001215300000000, -0.0000215500000000, -0.0004330000000000 ] - [ 0.0000549500000000, -0.0000469200000000, -0.0006816400000000 ] - [ 0.0000507600000000, 0.0001786100000000, -0.0003399700000000 ] - [ 0.0000653800000000, 0.0001851300000000, -0.0003647000000000 ] - [ -0.0001624800000000, -0.0005178200000000, 0.0000104800000000 ] - [ -0.0024909400000000, 0.0022372000000000, 0.0019339700000000 ] - [ -0.0004521400000000, 0.0002718900000000, -0.0001117100000000 ] - [ 0.0003820000000000, 0.0000404800000000, -0.0000886600000000 ] - [ 0.0000657400000000, 0.0002582500000000, -0.0001740200000000 ] - [ 0.0000771000000000, 0.0002865600000000, -0.0001915200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.1496460100000000, -0.1608323300000000, 0.1790658700000000 ] - [ -0.0000736000000000, -0.0004465300000000, 0.0002299000000000 ] - [ 0.0001543900000000, -0.0002319300000000, 0.0001565000000000 ] - [ 0.0000406300000000, -0.0002813400000000, 0.0001297700000000 ] - [ 0.0001122200000000, -0.0000853200000000, 0.0001485400000000 ] - [ 0.0000259100000000, -0.0001592600000000, 0.0001216900000000 ] - [ 0.0003158100000000, -0.0005443900000000, -0.0001932500000000 ] - [ 0.0000402300000000, -0.0003990500000000, -0.0000591000000000 ] - [ 0.0001637000000000, -0.0002480000000000, -0.0000000800000000 ] - [ 0.0001014600000000, -0.0003078200000000, 0.0000592800000000 ] - [ 0.0000937300000000, -0.0002970700000000, -0.0000079100000000 ] - [ 0.0000906200000000, -0.0002628600000000, 0.0000509900000000 ] - [ 0.0130638200000000, -0.0133748100000000, 0.0300828600000000 ] - [ -0.0004014000000000, 0.0002651300000000, 0.0004232100000000 ] - [ -0.0002633000000000, 0.0005323800000000, 0.0002907100000000 ] - [ -0.0002454400000000, 0.0004969600000000, 0.0002183600000000 ] - [ -0.0000784900000000, 0.0007710300000000, 0.0004960000000000 ] - [ -0.0003394800000000, 0.0005950900000000, 0.0002955400000000 ] - [ 0.0001218600000000, 0.0000309100000000, -0.0004623900000000 ] - [ -0.0001636200000000, 0.0003066400000000, -0.0000421700000000 ] - [ -0.0001971100000000, 0.0004914200000000, 0.0001483400000000 ] - [ -0.0001986600000000, 0.0004574500000000, 0.0001391100000000 ] - [ -0.0001364500000000, 0.0003257000000000, -0.0000610800000000 ] - [ -0.0001881200000000, 0.0004227100000000, 0.0000933200000000 ] - [ 0.0004763700000000, -0.0003372200000000, 0.0006629900000000 ] - [ -0.0009074200000000, 0.0008657500000000, 0.0006564900000000 ] - [ 0.0000090700000000, 0.0003893300000000, 0.0001891200000000 ] - [ 0.0000740800000000, 0.0003603000000000, 0.0001896000000000 ] - [ 0.0002225600000000, 0.0004675300000000, 0.0002348600000000 ] - [ 0.0002003100000000, 0.0004814100000000, 0.0002350000000000 ] - [ 0.0001247000000000, 0.0002269300000000, -0.0001839600000000 ] - [ 0.0001328900000000, 0.0002216400000000, -0.0001831200000000 ] - [ 0.0000350100000000, 0.0004063600000000, -0.0000042500000000 ] - [ 0.0001036600000000, 0.0004100500000000, -0.0000034900000000 ] - [ 0.0001902900000000, 0.0004000100000000, 0.0001346100000000 ] - [ 0.0001838500000000, 0.0004045900000000, 0.0001346600000000 ] - [ 0.0004338000000000, -0.0007611500000000, 0.0006709500000000 ] - [ -0.0002761200000000, -0.0003263500000000, 0.0002696200000000 ] - [ -0.0000527100000000, -0.0002509300000000, 0.0000999500000000 ] - [ -0.0000797100000000, -0.0002629500000000, 0.0001094200000000 ] - [ -0.0007830500000000, 0.0006138400000000, 0.0006713600000000 ] - [ -0.0002620100000000, -0.0004308700000000, 0.0002775700000000 ] - [ -0.0000629500000000, -0.0002952600000000, -0.0001457100000000 ] - [ -0.0002305300000000, -0.0003107800000000, 0.0000300800000000 ] - [ -0.0000692900000000, -0.0002908500000000, 0.0000451800000000 ] - [ -0.0000912800000000, -0.0002964500000000, 0.0000564400000000 ] - [ -0.0000980100000000, -0.0004461100000000, -0.0001374500000000 ] - [ -0.0002205600000000, -0.0004311300000000, 0.0000379100000000 ] - [ 0.0005674800000000, -0.0012238800000000, 0.0006956100000000 ] - [ 0.0000415800000000, -0.0003746000000000, 0.0001427200000000 ] - [ 0.0000720600000000, -0.0002702600000000, 0.0000725400000000 ] - [ 0.0000588100000000, -0.0002785000000000, 0.0000813100000000 ] - [ -0.0008285800000000, -0.0001719200000000, -0.0012946600000000 ] - [ 0.0000117800000000, -0.0002078400000000, 0.0000381800000000 ] - [ 0.0004431200000000, 0.0014391700000000, -0.0013069400000000 ] - [ -0.0000571000000000, -0.0002145200000000, 0.0000292100000000 ] - [ 0.0000963800000000, -0.0002657300000000, 0.0000716500000000 ] - [ 0.0000670800000000, -0.0002868500000000, 0.0000805500000000 ] - [ 0.0007435800000000, -0.0012263400000000, 0.0007034000000000 ] - [ 0.0001234900000000, -0.0004674500000000, 0.0001491800000000 ] - [ -0.0002733400000000, 0.0003855100000000, -0.0009442800000000 ] - [ -0.0004716500000000, 0.0005647100000000, 0.0001913800000000 ] - [ -0.0000100300000000, 0.0000569700000000, 0.0003964500000000 ] - [ -0.0001866400000000, 0.0003462700000000, 0.0001529800000000 ] - [ -0.0001992000000000, 0.0004614400000000, 0.0001875100000000 ] - [ -0.0002237200000000, 0.0004459900000000, 0.0001815500000000 ] - [ 0.0000069000000000, -0.0012287100000000, -0.0009478100000000 ] - [ -0.0001971700000000, 0.0002533500000000, 0.0001900000000000 ] - [ -0.0004956600000000, 0.0012437100000000, 0.0003958800000000 ] - [ -0.0002085400000000, 0.0005093700000000, 0.0001519500000000 ] - [ -0.0001752200000000, 0.0004210000000000, 0.0001866000000000 ] - [ -0.0001971600000000, 0.0004184700000000, 0.0001810000000000 ] - [ 0.0000899400000000, 0.0000348200000000, 0.0003847200000000 ] - [ -0.0007712400000000, -0.0010469200000000, -0.0012103000000000 ] - [ 0.0001976600000000, 0.0004465000000000, 0.0002002200000000 ] - [ 0.0001938100000000, 0.0004448300000000, 0.0001734900000000 ] - [ 0.0004242500000000, 0.0006835300000000, 0.0002338500000000 ] - [ 0.0001226000000000, 0.0005338500000000, 0.0001113100000000 ] - [ -0.0015221300000000, 0.0001565600000000, -0.0012152400000000 ] - [ 0.0005906200000000, 0.0005198200000000, 0.0003836200000000 ] - [ 0.0001786800000000, 0.0005285800000000, 0.0001722500000000 ] - [ 0.0002941100000000, 0.0005662800000000, 0.0001996400000000 ] - [ 0.0000646800000000, 0.0002723500000000, 0.0001101500000000 ] - [ 0.0001454100000000, 0.0004618600000000, 0.0002332100000000 ] - [ -0.0016987000000000, -0.0012927600000000, -0.0009291000000000 ] - [ -0.0003083400000000, -0.0007027500000000, 0.0004638700000000 ] - [ -0.0000991800000000, -0.0003567000000000, 0.0001311600000000 ] - [ -0.0001664500000000, -0.0003483600000000, 0.0001532900000000 ] - [ -0.0000819900000000, -0.0001552400000000, 0.0000086100000000 ] - [ 0.0000251900000000, -0.0000924100000000, 0.0000502000000000 ] - [ 0.0011506700000000, -0.0003806000000000, -0.0009435600000000 ] - [ -0.0009718900000000, -0.0010282100000000, 0.0004635900000000 ] - [ 0.0000434800000000, -0.0001511600000000, 0.0000153600000000 ] - [ -0.0001750900000000, -0.0002283100000000, 0.0000572700000000 ] - [ -0.0001017900000000, -0.0002664500000000, 0.0001223700000000 ] - [ -0.0002000900000000, -0.0003591000000000, 0.0001442300000000 ] - [ -0.0004758700000000, 0.0005542100000000, 0.0006658200000000 ] - [ 0.0002080000000000, 0.0000283300000000, 0.0000865100000000 ] - [ 0.0000313600000000, -0.0002206100000000, -0.0001709600000000 ] - [ 0.0000737400000000, -0.0001238100000000, -0.0001847000000000 ] - [ 0.0000093900000000, -0.0000979000000000, 0.0001178300000000 ] - [ 0.0000878400000000, -0.0001002600000000, -0.0001385900000000 ] - [ -0.1645814900000000, 0.1755624200000000, -0.2061321600000000 ] - [ 0.0006027300000000, 0.0001534200000000, -0.0006973900000000 ] - [ 0.0000804700000000, -0.0003941200000000, -0.0004523800000000 ] - [ 0.0001377800000000, -0.0001845500000000, -0.0003195300000000 ] - [ -0.0000279200000000, -0.0005523900000000, -0.0006813200000000 ] - [ 0.0002309300000000, -0.0002716600000000, -0.0004626600000000 ] - [ -0.0000252900000000, 0.0008420800000000, -0.0009543200000000 ] - [ 0.0025467100000000, 0.0027031000000000, 0.0012333100000000 ] - [ -0.0000132800000000, -0.0001350200000000, -0.0003899700000000 ] - [ -0.0000721700000000, -0.0000841600000000, -0.0003087100000000 ] - [ -0.0003075300000000, -0.0004187600000000, -0.0004146300000000 ] - [ 0.0000844100000000, -0.0004643600000000, -0.0001787500000000 ] - [ 0.0018410500000000, 0.0011262800000000, 0.0005581500000000 ] - [ -0.0012346800000000, -0.0002921400000000, 0.0000340000000000 ] - [ 0.0000820700000000, -0.0003438600000000, -0.0001641900000000 ] - [ -0.0002278600000000, -0.0003315500000000, -0.0001325200000000 ] - [ 0.0000838100000000, 0.0000925800000000, -0.0001881500000000 ] - [ -0.0001277500000000, -0.0000487300000000, -0.0002478000000000 ] - [ 0.0012273800000000, -0.0009729300000000, 0.0023752900000000 ] - [ 0.0004256000000000, -0.0002609900000000, -0.0003096000000000 ] - [ -0.0006522600000000, 0.0009534000000000, -0.0016220500000000 ] - [ 0.0002915000000000, 0.0001957200000000, -0.0004036900000000 ] - [ 0.0000638500000000, -0.0002830800000000, -0.0002978700000000 ] - [ 0.0000916900000000, -0.0002229700000000, -0.0002990700000000 ] - [ -0.0009239500000000, 0.0018179400000000, 0.0000244100000000 ] - [ 0.0001841400000000, 0.0002271100000000, -0.0001761500000000 ] - [ 0.0005590000000000, -0.0018564600000000, 0.0004711500000000 ] - [ 0.0001593900000000, -0.0002114100000000, -0.0000964000000000 ] - [ 0.0000403600000000, -0.0002168100000000, -0.0002342600000000 ] - [ 0.0000808200000000, -0.0001770600000000, -0.0002380600000000 ] - [ 0.0000184200000000, 0.0001562700000000, 0.0001325900000000 ] - [ 0.0000426400000000, 0.0001158200000000, 0.0004357500000000 ] - [ 0.0001234500000000, 0.0000187300000000, -0.0001063900000000 ] - [ -0.0000530100000000, 0.0000453100000000, 0.0001404600000000 ] - [ -0.0000536700000000, -0.0001773200000000, -0.0001997800000000 ] - [ -0.0000683800000000, -0.0001842200000000, -0.0001754200000000 ] - [ 0.0001613600000000, 0.0005155800000000, -0.0005445100000000 ] - [ 0.0024899200000000, -0.0022384100000000, -0.0024228100000000 ] - [ 0.0004420800000000, -0.0002615600000000, -0.0004351100000000 ] - [ -0.0003783500000000, -0.0000414300000000, -0.0004546100000000 ] - [ -0.0000686800000000, -0.0002566300000000, -0.0003650400000000 ] - [ -0.0000798700000000, -0.0002849100000000, -0.0003477300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007432500000000, -0.0009541700000000, 0.0006086900000000 ] - [ -0.0002676800000000, -0.0002610100000000, -0.0000763400000000 ] - [ 0.0002583500000000, -0.0003366600000000, 0.0001298500000000 ] - [ -0.0000086400000000, -0.0002566900000000, 0.0000509600000000 ] - [ 0.0001721000000000, -0.0002490300000000, 0.0001010200000000 ] - [ 0.0000125900000000, -0.0001939200000000, 0.0000579700000000 ] - [ 0.1832559900000000, -0.1959111500000000, 0.1648878800000000 ] - [ -0.0013194900000000, 0.0002283700000000, -0.0004722500000000 ] - [ 0.0006127200000000, -0.0003072300000000, 0.0001664400000000 ] - [ -0.0004485100000000, 0.0000224000000000, -0.0000915200000000 ] - [ 0.0002744700000000, -0.0002221000000000, 0.0000525900000000 ] - [ -0.0002464800000000, -0.0000517000000000, -0.0000055200000000 ] - [ 0.0004690300000000, -0.0002399300000000, -0.0003413300000000 ] - [ -0.0005405600000000, 0.0004517600000000, 0.0003388200000000 ] - [ -0.0001344200000000, 0.0004576900000000, 0.0001715500000000 ] - [ -0.0002943600000000, 0.0005132000000000, 0.0002142500000000 ] - [ -0.0000360600000000, 0.0004352800000000, 0.0001403600000000 ] - [ -0.0003027700000000, 0.0005151200000000, 0.0002182700000000 ] - [ 0.1801733600000000, -0.1876662800000000, -0.1591413200000000 ] - [ -0.0015946000000000, 0.0009407900000000, 0.0007338500000000 ] - [ -0.0000317400000000, 0.0004860600000000, 0.0002207300000000 ] - [ -0.0005538800000000, 0.0006557100000000, 0.0002794000000000 ] - [ 0.0003159400000000, 0.0004612600000000, 0.0001016700000000 ] - [ -0.0007414500000000, 0.0007941800000000, 0.0003617200000000 ] - [ 0.0002656700000000, 0.0001483300000000, 0.0000974100000000 ] - [ 0.0000310500000000, 0.0004166600000000, 0.0001241000000000 ] - [ 0.0001536800000000, 0.0004430300000000, 0.0001828700000000 ] - [ -0.0000011800000000, 0.0002787900000000, 0.0000081200000000 ] - [ 0.0002300900000000, 0.0004399800000000, 0.0001989000000000 ] - [ 0.0001747300000000, 0.0004546200000000, 0.0001845100000000 ] - [ -0.0006552400000000, -0.0035541800000000, -0.0023281900000000 ] - [ -0.0006504300000000, 0.0009571000000000, -0.0000150700000000 ] - [ -0.0003114600000000, 0.0013654100000000, 0.0005058000000000 ] - [ -0.0021715900000000, -0.0016293400000000, -0.0003149600000000 ] - [ 0.0002779800000000, 0.0004716400000000, 0.0002112000000000 ] - [ 0.0001807000000000, 0.0005138400000000, 0.0002003200000000 ] - [ -0.0000409900000000, -0.0005595700000000, 0.0001776100000000 ] - [ -0.0002764800000000, -0.0002928400000000, 0.0001509900000000 ] - [ -0.0000424200000000, -0.0002731200000000, 0.0000620900000000 ] - [ -0.0000976500000000, -0.0002582100000000, 0.0000762900000000 ] - [ -0.0001404100000000, -0.0003269400000000, 0.0000875100000000 ] - [ -0.0002953900000000, -0.0004920400000000, 0.0002619000000000 ] - [ -0.0009465500000000, -0.0042938300000000, 0.0026479100000000 ] - [ -0.0009765300000000, 0.0002347000000000, 0.0002972800000000 ] - [ 0.0000056400000000, -0.0002413900000000, 0.0000515500000000 ] - [ -0.0000919100000000, -0.0001988600000000, 0.0000620600000000 ] - [ -0.0005863000000000, 0.0005773800000000, -0.0002393700000000 ] - [ -0.0024544100000000, -0.0023952700000000, 0.0005881400000000 ] - [ 0.0016529400000000, 0.0007933700000000, -0.0011016200000000 ] - [ -0.0006236000000000, -0.0000689000000000, -0.0002919600000000 ] - [ 0.0001475400000000, -0.0002463500000000, 0.0000671900000000 ] - [ -0.0000326900000000, -0.0002113400000000, 0.0000394400000000 ] - [ 0.0009169400000000, -0.0001242500000000, 0.0007912200000000 ] - [ -0.0004041400000000, -0.0001596100000000, -0.0001527000000000 ] - [ 0.0009188600000000, -0.0012826000000000, 0.0010602200000000 ] - [ -0.0004607400000000, 0.0000402500000000, -0.0000516200000000 ] - [ 0.0001407600000000, -0.0002942600000000, 0.0000896900000000 ] - [ -0.0000265400000000, -0.0002166800000000, 0.0000487200000000 ] - [ 0.0002526800000000, -0.0007830300000000, -0.0004140300000000 ] - [ -0.0002600500000000, -0.0000870700000000, -0.0000208100000000 ] - [ 0.0013627300000000, 0.0015205700000000, 0.0013832100000000 ] - [ -0.0009313900000000, 0.0006414300000000, 0.0005665900000000 ] - [ 0.0006287600000000, 0.0006361400000000, -0.0005270200000000 ] - [ -0.0006995400000000, 0.0006102400000000, 0.0004239200000000 ] - [ -0.0001257300000000, 0.0004674000000000, 0.0001952400000000 ] - [ -0.0003062200000000, 0.0005028000000000, 0.0002234200000000 ] - [ 0.0006095500000000, -0.0005734700000000, -0.0007773800000000 ] - [ -0.0007657500000000, 0.0007462500000000, 0.0003227500000000 ] - [ -0.0000498600000000, -0.0000092200000000, 0.0006953500000000 ] - [ -0.0005538700000000, 0.0006838100000000, 0.0002892000000000 ] - [ -0.0001309000000000, 0.0004175000000000, 0.0001710200000000 ] - [ -0.0002984100000000, 0.0004956000000000, 0.0002122400000000 ] - [ -0.0008587500000000, -0.0007556700000000, -0.0024201500000000 ] - [ -0.0010451000000000, -0.0005676900000000, 0.0001631200000000 ] - [ 0.0002639700000000, 0.0006610800000000, 0.0002124900000000 ] - [ 0.0001870900000000, 0.0004218400000000, 0.0001547900000000 ] - [ 0.0003461300000000, 0.0003203800000000, 0.0000465200000000 ] - [ 0.0000787900000000, 0.0007953500000000, 0.0004388100000000 ] - [ -0.0002885700000000, -0.0002154300000000, 0.0013667200000000 ] - [ -0.0006925800000000, -0.0009330100000000, -0.0017049900000000 ] - [ 0.0003230100000000, 0.0005508600000000, 0.0003667400000000 ] - [ 0.0001314800000000, 0.0004720900000000, 0.0000584100000000 ] - [ 0.0002936200000000, 0.0004715100000000, 0.0002570000000000 ] - [ 0.0001254600000000, 0.0005253300000000, 0.0000474100000000 ] - [ -0.0011256500000000, -0.0014914200000000, 0.0026905000000000 ] - [ -0.0013164900000000, -0.0012750700000000, 0.0001047900000000 ] - [ 0.0000503400000000, -0.0004547000000000, 0.0002256700000000 ] - [ -0.0002167500000000, 0.0000225800000000, -0.0001683400000000 ] - [ -0.0000433300000000, -0.0000465500000000, 0.0000611300000000 ] - [ -0.0001190200000000, -0.0002842600000000, 0.0001184400000000 ] - [ -0.0005551900000000, -0.0009248900000000, -0.0011062800000000 ] - [ -0.0009674900000000, -0.0016503300000000, 0.0019685300000000 ] - [ 0.0000024900000000, -0.0002966500000000, 0.0000106100000000 ] - [ -0.0001685100000000, -0.0002449400000000, 0.0002220100000000 ] - [ 0.0000170500000000, -0.0001560200000000, -0.0000939700000000 ] - [ -0.0001748700000000, -0.0002353300000000, 0.0002131600000000 ] - [ -0.3708754200000000, 0.3901195200000000, -0.0057520900000000 ] - [ 0.0031058100000000, -0.0008745600000000, -0.0002691000000000 ] - [ -0.0005403600000000, -0.0006228800000000, -0.0003488400000000 ] - [ 0.0009245500000000, -0.0003248800000000, -0.0001802200000000 ] - [ -0.0005405500000000, -0.0006179400000000, -0.0001823100000000 ] - [ 0.0009207600000000, -0.0003265000000000, -0.0003540000000000 ] - [ -0.0012547900000000, 0.0011605900000000, -0.0002755800000000 ] - [ 0.0008917200000000, -0.0002848000000000, -0.0002709100000000 ] - [ -0.0001392000000000, -0.0001777200000000, -0.0003446300000000 ] - [ 0.0002732700000000, -0.0002087600000000, -0.0002596200000000 ] - [ -0.0001401600000000, -0.0001792100000000, -0.0001936400000000 ] - [ 0.0002719700000000, -0.0002101500000000, -0.0002764000000000 ] - [ 0.0020458200000000, 0.0019762000000000, 0.0015548100000000 ] - [ 0.0020586000000000, 0.0019948900000000, -0.0021185500000000 ] - [ -0.0000492700000000, -0.0006211500000000, -0.0001026300000000 ] - [ -0.0000851600000000, 0.0000106300000000, -0.0002704800000000 ] - [ -0.0000851600000000, 0.0000063600000000, -0.0002664400000000 ] - [ -0.0000479500000000, -0.0006233900000000, -0.0004328200000000 ] - [ 0.0020589400000000, 0.0021794600000000, -0.0042669400000000 ] - [ 0.0020450100000000, 0.0021707200000000, 0.0037264900000000 ] - [ -0.0000848900000000, -0.0004792800000000, -0.0006795100000000 ] - [ -0.0000505800000000, -0.0000312100000000, 0.0000741200000000 ] - [ -0.0000468900000000, -0.0000302900000000, -0.0006056300000000 ] - [ -0.0000854300000000, -0.0004779200000000, 0.0001435100000000 ] - [ -0.0015343800000000, -0.0005248000000000, -0.0013720800000000 ] - [ 0.0012160200000000, -0.0003137800000000, -0.0003606600000000 ] - [ -0.0015431000000000, -0.0005012100000000, 0.0008314200000000 ] - [ 0.0012157400000000, -0.0003113600000000, -0.0001767500000000 ] - [ -0.0000733000000000, -0.0003303200000000, -0.0002697800000000 ] - [ 0.0002527300000000, -0.0002836900000000, -0.0002699600000000 ] - [ -0.0015406100000000, 0.0000829300000000, 0.0024785700000000 ] - [ 0.0012158400000000, -0.0004524500000000, -0.0002997900000000 ] - [ -0.0015367400000000, 0.0000692800000000, -0.0030498600000000 ] - [ 0.0012160600000000, -0.0004546000000000, -0.0002329100000000 ] - [ -0.0000733600000000, -0.0002787600000000, -0.0002693800000000 ] - [ 0.0002526600000000, -0.0002763800000000, -0.0002689900000000 ] - [ 0.0034718700000000, 0.0043563300000000, 0.0024090100000000 ] - [ 0.0034544500000000, -0.0036588600000000, -0.0006409100000000 ] - [ 0.0035178400000000, -0.0036610100000000, 0.0001191900000000 ] - [ 0.0035005300000000, 0.0043846700000000, -0.0029815700000000 ] - [ -0.0000954500000000, -0.0003346500000000, -0.0003053000000000 ] - [ -0.0000961200000000, -0.0003339700000000, -0.0002325900000000 ] - [ 0.0000513100000000, 0.0003422300000000, -0.0004692200000000 ] - [ 0.0000503400000000, -0.0001051200000000, 0.0000195900000000 ] - [ 0.0000531700000000, -0.0001030300000000, -0.0005591400000000 ] - [ 0.0000518200000000, 0.0003418700000000, -0.0000697100000000 ] - [ -0.0000770300000000, -0.0002433600000000, -0.0003169300000000 ] - [ -0.0000771600000000, -0.0002431500000000, -0.0002229600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004970600000000, 0.0003838800000000, -0.0004209700000000 ] - [ 0.0001949100000000, -0.0001286800000000, 0.0001019500000000 ] - [ 0.0002316400000000, -0.0006367200000000, 0.0002380600000000 ] - [ 0.0003378600000000, -0.0005663100000000, 0.0002399500000000 ] - [ 0.0003044900000000, -0.0006454100000000, 0.0003515500000000 ] - [ 0.0002618200000000, -0.0005789800000000, 0.0002564600000000 ] - [ -0.1873773300000000, 0.2053996000000000, -0.1693600200000000 ] - [ 0.0000425500000000, 0.0004361500000000, -0.0000257500000000 ] - [ 0.0004776700000000, -0.0016136300000000, 0.0006940900000000 ] - [ 0.0006422400000000, -0.0009769600000000, 0.0004121000000000 ] - [ 0.0006718800000000, -0.0012274600000000, 0.0005256700000000 ] - [ 0.0004159400000000, -0.0009311400000000, 0.0003177800000000 ] - [ -0.0007709300000000, 0.0010977200000000, 0.0006882200000000 ] - [ -0.0000777400000000, 0.0005839800000000, 0.0001611600000000 ] - [ -0.0000017200000000, 0.0000613500000000, -0.0000795200000000 ] - [ -0.0000451300000000, 0.0001281900000000, 0.0000155600000000 ] - [ -0.0000623400000000, 0.0001347200000000, 0.0000315300000000 ] - [ 0.0000442600000000, 0.0002046200000000, 0.0000286700000000 ] - [ -0.1959693700000000, 0.2105239800000000, 0.1763046900000000 ] - [ -0.0002294000000000, 0.0011502600000000, 0.0002855200000000 ] - [ 0.0003685500000000, -0.0005219300000000, -0.0002534800000000 ] - [ 0.0001076200000000, -0.0002229100000000, -0.0000435000000000 ] - [ 0.0001813100000000, -0.0008376900000000, -0.0004228100000000 ] - [ 0.0003494400000000, -0.0002072900000000, -0.0001427000000000 ] - [ 0.0000600300000000, 0.0006990900000000, 0.0002576000000000 ] - [ 0.0003828700000000, 0.0006129300000000, 0.0002965500000000 ] - [ 0.0003177600000000, 0.0004870200000000, 0.0001761800000000 ] - [ 0.0001922800000000, 0.0004765000000000, 0.0001496200000000 ] - [ -0.0000605400000000, -0.0000496600000000, -0.0000528600000000 ] - [ -0.0000306500000000, -0.0000430000000000, -0.0000459500000000 ] - [ -0.0034450300000000, 0.0002078900000000, -0.0020796600000000 ] - [ 0.0014064900000000, 0.0003185400000000, 0.0006531100000000 ] - [ 0.0010076200000000, -0.0001373000000000, 0.0000946700000000 ] - [ -0.0012277600000000, -0.0015950200000000, -0.0001358800000000 ] - [ -0.0001971200000000, -0.0003139600000000, -0.0001526100000000 ] - [ -0.0001396200000000, -0.0002855600000000, -0.0001245400000000 ] - [ -0.0002461800000000, -0.0000091000000000, 0.0000175200000000 ] - [ 0.0000761600000000, -0.0000958600000000, -0.0000216100000000 ] - [ -0.0003330400000000, -0.0007621000000000, 0.0003133500000000 ] - [ -0.0003025100000000, -0.0007552800000000, 0.0003061200000000 ] - [ 0.0000233000000000, -0.0002836600000000, 0.0000942200000000 ] - [ -0.0001018500000000, -0.0002941500000000, 0.0001203800000000 ] - [ -0.0037809900000000, -0.0004866400000000, 0.0023912500000000 ] - [ 0.0010785200000000, -0.0003712200000000, -0.0003838300000000 ] - [ -0.0004703500000000, -0.0010276400000000, 0.0004157000000000 ] - [ -0.0004112800000000, -0.0009976900000000, 0.0003866700000000 ] - [ 0.0007017100000000, -0.0009301500000000, 0.0001835600000000 ] - [ -0.0015197600000000, -0.0023573900000000, 0.0004066900000000 ] - [ 0.0002300200000000, 0.0008848700000000, 0.0011016900000000 ] - [ 0.0005214200000000, -0.0001748300000000, 0.0003937600000000 ] - [ 0.0003449900000000, -0.0009479500000000, 0.0004131800000000 ] - [ 0.0003647200000000, -0.0008561600000000, 0.0003534400000000 ] - [ -0.0000330000000000, -0.0007319500000000, -0.0008111700000000 ] - [ 0.0001935400000000, -0.0003886700000000, -0.0000551200000000 ] - [ -0.0001414200000000, 0.0004888200000000, -0.0016840200000000 ] - [ 0.0003176400000000, -0.0001704800000000, -0.0000952900000000 ] - [ 0.0003940000000000, -0.0008742700000000, 0.0003457400000000 ] - [ 0.0003843700000000, -0.0008083000000000, 0.0003070700000000 ] - [ 0.0009740000000000, -0.0005548800000000, 0.0019934200000000 ] - [ 0.0001772100000000, -0.0003985800000000, 0.0003507200000000 ] - [ -0.0000995400000000, 0.0015532700000000, -0.0008552900000000 ] - [ 0.0002141900000000, 0.0005340800000000, -0.0001208800000000 ] - [ -0.0003199000000000, 0.0000406500000000, 0.0010941600000000 ] - [ -0.0001019800000000, 0.0003817400000000, 0.0003261200000000 ] - [ 0.0000719600000000, -0.0002340200000000, -0.0001504700000000 ] - [ 0.0000914200000000, -0.0001423900000000, -0.0000909100000000 ] - [ -0.0004473800000000, 0.0011947400000000, 0.0019611100000000 ] - [ 0.0000146000000000, 0.0005328200000000, 0.0003660900000000 ] - [ 0.0006717200000000, 0.0002171300000000, -0.0017211600000000 ] - [ -0.0001176400000000, 0.0003741000000000, -0.0000811900000000 ] - [ 0.0001226700000000, -0.0001626400000000, -0.0000856600000000 ] - [ 0.0001127300000000, -0.0000964100000000, -0.0000463900000000 ] - [ 0.0019971500000000, 0.0019265900000000, 0.0028544100000000 ] - [ 0.0013467700000000, 0.0020235900000000, 0.0009710900000000 ] - [ 0.0000655400000000, -0.0000955700000000, 0.0000574300000000 ] - [ -0.0001036300000000, -0.0001186000000000, 0.0000055000000000 ] - [ -0.0002475900000000, -0.0001474400000000, -0.0003335800000000 ] - [ 0.0001013800000000, -0.0001343700000000, -0.0002893200000000 ] - [ 0.0012103500000000, 0.0014402500000000, -0.0001602000000000 ] - [ 0.0010732200000000, 0.0017066100000000, 0.0012627200000000 ] - [ -0.0000062500000000, 0.0000072200000000, -0.0001900300000000 ] - [ -0.0002076900000000, -0.0001107800000000, -0.0002033400000000 ] - [ -0.0003445100000000, -0.0000775800000000, 0.0000798000000000 ] - [ 0.0000777600000000, 0.0001470500000000, 0.0002208200000000 ] - [ 0.0016892800000000, 0.0012113600000000, -0.0025693300000000 ] - [ 0.0010833400000000, 0.0013160400000000, -0.0007147600000000 ] - [ -0.0005440200000000, -0.0009221200000000, 0.0006061800000000 ] - [ -0.0001932800000000, -0.0009061800000000, 0.0005593300000000 ] - [ -0.0002423600000000, -0.0008035700000000, 0.0002167200000000 ] - [ -0.0004092700000000, -0.0008246600000000, 0.0002675000000000 ] - [ 0.0009393500000000, 0.0007284600000000, 0.0004273500000000 ] - [ 0.0007974100000000, 0.0009856500000000, -0.0009898500000000 ] - [ -0.0006366100000000, -0.0008460000000000, 0.0001875100000000 ] - [ -0.0002148900000000, -0.0006216800000000, 0.0000474000000000 ] - [ -0.0003129300000000, -0.0007002900000000, 0.0004626400000000 ] - [ -0.0005133800000000, -0.0008177500000000, 0.0004745400000000 ] - [ 0.3901330600000000, -0.4270202800000000, -0.0069202200000000 ] - [ -0.0008738100000000, -0.0016044600000000, -0.0002662200000000 ] - [ -0.0006229800000000, 0.0021859700000000, -0.0006017600000000 ] - [ -0.0003238700000000, 0.0011171600000000, -0.0005471000000000 ] - [ -0.0006178000000000, 0.0021803800000000, 0.0000669100000000 ] - [ -0.0003285000000000, 0.0011178900000000, 0.0000134700000000 ] - [ 0.0011611100000000, -0.0017001400000000, -0.0002758100000000 ] - [ -0.0002842900000000, -0.0005036200000000, -0.0002718500000000 ] - [ -0.0001781400000000, 0.0006480200000000, 0.0000204900000000 ] - [ -0.0002089200000000, 0.0004184700000000, -0.0001876100000000 ] - [ -0.0001790400000000, 0.0006470600000000, -0.0005567800000000 ] - [ -0.0002106700000000, 0.0004181500000000, -0.0003477600000000 ] - [ -0.0021891000000000, -0.0033498900000000, -0.0010997500000000 ] - [ -0.0021617100000000, -0.0033319100000000, 0.0005534500000000 ] - [ 0.0000297500000000, 0.0009450300000000, -0.0005316900000000 ] - [ 0.0004790400000000, 0.0008670700000000, -0.0005490100000000 ] - [ 0.0004781400000000, 0.0008631100000000, 0.0000125400000000 ] - [ 0.0000324100000000, 0.0009440300000000, -0.0000036200000000 ] - [ -0.0019788400000000, -0.0033349400000000, 0.0013903200000000 ] - [ -0.0019930100000000, -0.0033473000000000, -0.0019585800000000 ] - [ -0.0000091200000000, 0.0008638700000000, 0.0002154000000000 ] - [ 0.0006216100000000, 0.0009440800000000, 0.0000137600000000 ] - [ 0.0006234400000000, 0.0009449200000000, -0.0005447600000000 ] - [ -0.0000072200000000, 0.0008666300000000, -0.0007497100000000 ] - [ 0.0000825100000000, 0.0009544100000000, 0.0025112400000000 ] - [ -0.0004541700000000, -0.0002632900000000, 0.0000577300000000 ] - [ 0.0000683200000000, 0.0009592600000000, -0.0030846300000000 ] - [ -0.0004535700000000, -0.0002623600000000, -0.0005941100000000 ] - [ -0.0002776900000000, 0.0010683200000000, -0.0002697700000000 ] - [ -0.0002758300000000, 0.0008716000000000, -0.0002694300000000 ] - [ -0.0005168000000000, 0.0009637400000000, -0.0056686000000000 ] - [ -0.0003139600000000, -0.0002593500000000, -0.0007718400000000 ] - [ -0.0005101300000000, 0.0009492100000000, 0.0051215500000000 ] - [ -0.0003120700000000, -0.0002663200000000, 0.0002388800000000 ] - [ -0.0003293800000000, 0.0010684900000000, -0.0002685100000000 ] - [ -0.0002832500000000, 0.0008719100000000, -0.0002690600000000 ] - [ 0.0036466200000000, 0.0029848200000000, 0.0023796200000000 ] - [ -0.0043769200000000, 0.0030313000000000, 0.0002475500000000 ] - [ -0.0043633000000000, 0.0029669200000000, -0.0007655700000000 ] - [ 0.0036737300000000, 0.0030133600000000, -0.0029433200000000 ] - [ 0.0003330100000000, 0.0012337800000000, -0.0002348700000000 ] - [ 0.0003342200000000, 0.0012348100000000, -0.0003034800000000 ] - [ 0.0001037700000000, -0.0003626200000000, -0.0004321200000000 ] - [ -0.0003423700000000, -0.0003628200000000, -0.0005925900000000 ] - [ -0.0003407900000000, -0.0003626200000000, 0.0000531000000000 ] - [ 0.0001048500000000, -0.0003632800000000, -0.0001069200000000 ] - [ 0.0002422900000000, 0.0007540700000000, -0.0002542800000000 ] - [ 0.0002427200000000, 0.0007545300000000, -0.0002845500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000976000000000, -0.0002376700000000, -0.0008056800000000 ] - [ 0.0000447300000000, -0.0003634300000000, -0.0002250700000000 ] - [ 0.0001392400000000, -0.0000889400000000, -0.0002521300000000 ] - [ 0.0001190800000000, -0.0003150900000000, 0.0000038500000000 ] - [ 0.0001878000000000, -0.0004996700000000, 0.0000407200000000 ] - [ 0.0001438500000000, -0.0003901800000000, 0.0000549100000000 ] - [ 0.1368332500000000, -0.1470172900000000, 0.2063772600000000 ] - [ 0.0002450600000000, -0.0003754200000000, 0.0005575300000000 ] - [ 0.0001711900000000, -0.0007180500000000, 0.0005461200000000 ] - [ 0.0002864600000000, -0.0005929100000000, 0.0003277700000000 ] - [ 0.0001899200000000, -0.0002019700000000, 0.0003232000000000 ] - [ 0.0000885900000000, -0.0002191000000000, 0.0001908000000000 ] - [ -0.0000976000000000, 0.0002376700000000, -0.0008056800000000 ] - [ -0.0000447300000000, 0.0003634300000000, -0.0002250700000000 ] - [ -0.0001878000000000, 0.0004996700000000, 0.0000407200000000 ] - [ -0.0001438500000000, 0.0003901800000000, 0.0000549100000000 ] - [ -0.0001392400000000, 0.0000889400000000, -0.0002521300000000 ] - [ -0.0001190800000000, 0.0003150900000000, 0.0000038500000000 ] - [ -0.1368332500000000, 0.1470172900000000, 0.2063772600000000 ] - [ -0.0002450600000000, 0.0003754200000000, 0.0005575300000000 ] - [ -0.0001899200000000, 0.0002019700000000, 0.0003232000000000 ] - [ -0.0000885900000000, 0.0002191000000000, 0.0001908000000000 ] - [ -0.0001711900000000, 0.0007180500000000, 0.0005461200000000 ] - [ -0.0002864600000000, 0.0005929100000000, 0.0003277700000000 ] - [ -0.0001008100000000, 0.0000658600000000, -0.0005639700000000 ] - [ 0.0002582300000000, 0.0001664200000000, -0.0002614500000000 ] - [ -0.0000665800000000, 0.0005012300000000, -0.0002755700000000 ] - [ 0.0002847400000000, 0.0005620600000000, -0.0000292500000000 ] - [ 0.0001056300000000, 0.0003191400000000, 0.0000361800000000 ] - [ 0.0001535400000000, 0.0003495500000000, 0.0000604800000000 ] - [ 0.0007095200000000, 0.0008646300000000, 0.0023095800000000 ] - [ -0.0007096600000000, 0.0008670100000000, 0.0004164300000000 ] - [ 0.0006505800000000, -0.0006268800000000, 0.0003205000000000 ] - [ -0.0005059700000000, -0.0003846600000000, 0.0002970200000000 ] - [ 0.0001291300000000, 0.0003661000000000, 0.0002095800000000 ] - [ 0.0001588100000000, 0.0004039400000000, 0.0002268700000000 ] - [ 0.0001008100000000, -0.0000658600000000, -0.0005639700000000 ] - [ -0.0002582300000000, -0.0001664200000000, -0.0002614500000000 ] - [ -0.0001056300000000, -0.0003191400000000, 0.0000361800000000 ] - [ -0.0001535400000000, -0.0003495500000000, 0.0000604800000000 ] - [ 0.0000665800000000, -0.0005012300000000, -0.0002755700000000 ] - [ -0.0002847400000000, -0.0005620600000000, -0.0000292500000000 ] - [ -0.0007095200000000, -0.0008646300000000, 0.0023095800000000 ] - [ 0.0007096600000000, -0.0008670100000000, 0.0004164300000000 ] - [ -0.0001291300000000, -0.0003661000000000, 0.0002095800000000 ] - [ -0.0001588100000000, -0.0004039400000000, 0.0002268700000000 ] - [ -0.0006505800000000, 0.0006268800000000, 0.0003205000000000 ] - [ 0.0005059700000000, 0.0003846600000000, 0.0002970200000000 ] - [ -0.0007385300000000, 0.0034906200000000, -0.0025085300000000 ] - [ -0.0000144300000000, -0.0000764600000000, 0.0001785600000000 ] - [ 0.0001432100000000, -0.0003321400000000, 0.0001584100000000 ] - [ 0.0001266700000000, -0.0003584200000000, 0.0001597400000000 ] - [ 0.0016534900000000, -0.0025640200000000, 0.0014795400000000 ] - [ 0.0002119900000000, -0.0006157400000000, 0.0002660200000000 ] - [ 0.0005389100000000, -0.0013746700000000, -0.0001544500000000 ] - [ 0.0002946300000000, -0.0004995800000000, 0.0000511200000000 ] - [ 0.0001380700000000, -0.0003642300000000, 0.0000962500000000 ] - [ 0.0001393100000000, -0.0003633900000000, 0.0001000600000000 ] - [ -0.0004820900000000, 0.0002728000000000, -0.0006096600000000 ] - [ 0.0000664800000000, -0.0002176900000000, -0.0000360900000000 ] - [ 0.0007385300000000, -0.0034906200000000, -0.0025085300000000 ] - [ 0.0000144300000000, 0.0000764600000000, 0.0001785600000000 ] - [ -0.0016534900000000, 0.0025640200000000, 0.0014795400000000 ] - [ -0.0002119900000000, 0.0006157400000000, 0.0002660200000000 ] - [ -0.0001432100000000, 0.0003321400000000, 0.0001584100000000 ] - [ -0.0001266700000000, 0.0003584200000000, 0.0001597400000000 ] - [ -0.0005389100000000, 0.0013746700000000, -0.0001544500000000 ] - [ -0.0002946300000000, 0.0004995800000000, 0.0000511200000000 ] - [ 0.0004820900000000, -0.0002728000000000, -0.0006096600000000 ] - [ -0.0000664800000000, 0.0002176900000000, -0.0000360900000000 ] - [ -0.0001380700000000, 0.0003642300000000, 0.0000962500000000 ] - [ -0.0001393100000000, 0.0003633900000000, 0.0001000600000000 ] - [ -0.0026714500000000, 0.0002006500000000, -0.0013732600000000 ] - [ 0.0016569800000000, 0.0014049400000000, 0.0008088400000000 ] - [ 0.0000921300000000, 0.0004198300000000, 0.0001788400000000 ] - [ 0.0004035000000000, 0.0006070800000000, 0.0002603300000000 ] - [ -0.0002193500000000, -0.0000017900000000, 0.0000418600000000 ] - [ 0.0002078400000000, 0.0003881700000000, 0.0002782100000000 ] - [ 0.0005994300000000, 0.0005355900000000, -0.0001725600000000 ] - [ -0.0002210300000000, -0.0002641300000000, -0.0006979200000000 ] - [ 0.0000842900000000, 0.0002604300000000, 0.0000049500000000 ] - [ 0.0000392900000000, 0.0002316900000000, 0.0000365500000000 ] - [ 0.0002940700000000, 0.0005579900000000, 0.0001156900000000 ] - [ 0.0001694700000000, 0.0004583800000000, 0.0000549600000000 ] - [ 0.0026714500000000, -0.0002006500000000, -0.0013732600000000 ] - [ -0.0016569800000000, -0.0014049400000000, 0.0008088400000000 ] - [ 0.0002193500000000, 0.0000017900000000, 0.0000418600000000 ] - [ -0.0002078400000000, -0.0003881700000000, 0.0002782100000000 ] - [ -0.0000921300000000, -0.0004198300000000, 0.0001788400000000 ] - [ -0.0004035000000000, -0.0006070800000000, 0.0002603300000000 ] - [ -0.0005994300000000, -0.0005355900000000, -0.0001725600000000 ] - [ 0.0002210300000000, 0.0002641300000000, -0.0006979200000000 ] - [ -0.0002940700000000, -0.0005579900000000, 0.0001156900000000 ] - [ -0.0001694700000000, -0.0004583800000000, 0.0000549600000000 ] - [ -0.0000842900000000, -0.0002604300000000, 0.0000049500000000 ] - [ -0.0000392900000000, -0.0002316900000000, 0.0000365500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4152426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013709300000000 ] - [ 0.0000879200000000, 0.0003321200000000, -0.0010563200000000 ] - [ -0.0000855900000000, 0.0002791800000000, -0.0006166100000000 ] - [ -0.0000879200000000, -0.0003321200000000, -0.0010563200000000 ] - [ 0.0000855900000000, -0.0002791800000000, -0.0006166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015575200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513800000000 ] - [ 0.0000770900000000, -0.0002836400000000, 0.0002200700000000 ] - [ -0.0000063400000000, -0.0000761600000000, -0.0000180200000000 ] - [ -0.0000770900000000, 0.0002836400000000, 0.0002200700000000 ] - [ 0.0000063400000000, 0.0000761600000000, -0.0000180200000000 ] - [ 0.0039816200000000, 0.0016608700000000, 0.0014768400000000 ] - [ -0.0039816200000000, -0.0016608700000000, 0.0014768400000000 ] - [ 0.0003360400000000, -0.0002768500000000, -0.0002320900000000 ] - [ -0.0004133000000000, -0.0004802600000000, -0.0001114500000000 ] - [ 0.0004133000000000, 0.0004802600000000, -0.0001114500000000 ] - [ -0.0003360400000000, 0.0002768500000000, -0.0002320900000000 ] - [ -0.0018566700000000, -0.0008395900000000, 0.0014697300000000 ] - [ 0.0018566700000000, 0.0008395900000000, 0.0014697300000000 ] - [ -0.0000058400000000, 0.0002838700000000, -0.0001159800000000 ] - [ 0.0001628800000000, 0.0002669700000000, -0.0002378900000000 ] - [ -0.0001628800000000, -0.0002669700000000, -0.0002378900000000 ] - [ 0.0000058400000000, -0.0002838700000000, -0.0001159800000000 ] - [ -0.0027474800000000, 0.0053756400000000, 0.0011430600000000 ] - [ 0.0000373900000000, 0.0005062700000000, -0.0001352800000000 ] - [ 0.0027474800000000, -0.0053756400000000, 0.0011430600000000 ] - [ -0.0000373900000000, -0.0005062700000000, -0.0001352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002571200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537100000000 ] - [ 0.0011115700000000, -0.0028120500000000, 0.0011397300000000 ] - [ 0.0000959500000000, -0.0003263400000000, -0.0001438300000000 ] - [ -0.0011115700000000, 0.0028120500000000, 0.0011397300000000 ] - [ -0.0000959500000000, 0.0003263400000000, -0.0001438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002554900000000 ] - [ -0.0003509300000000, -0.0004688200000000, -0.0020429100000000 ] - [ 0.0026708800000000, -0.0026381400000000, -0.0020664900000000 ] - [ -0.0026708800000000, 0.0026381400000000, -0.0020664900000000 ] - [ 0.0003509300000000, 0.0004688200000000, -0.0020429100000000 ] - [ 0.0000364000000000, 0.0000343200000000, -0.0004886400000000 ] - [ -0.0000364000000000, -0.0000343200000000, -0.0004886400000000 ] - [ 0.0002831400000000, 0.0003213400000000, 0.0005531500000000 ] - [ -0.0002014500000000, 0.0001636200000000, 0.0005534900000000 ] - [ 0.0002014500000000, -0.0001636200000000, 0.0005534900000000 ] - [ -0.0002831400000000, -0.0003213400000000, 0.0005531500000000 ] - [ 0.0000465500000000, 0.0000150700000000, -0.0000785600000000 ] - [ -0.0000465500000000, -0.0000150700000000, -0.0000785600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001748200000000, -0.0004759300000000, 0.0010659600000000 ] - [ 0.0002297500000000, -0.0003499400000000, 0.0004852500000000 ] - [ 0.0001565100000000, -0.0006865000000000, 0.0005222600000000 ] - [ 0.0001769500000000, -0.0004583500000000, 0.0002652200000000 ] - [ 0.0001179800000000, -0.0002067400000000, 0.0002293100000000 ] - [ 0.0001634400000000, -0.0003171500000000, 0.0002163800000000 ] - [ -0.1313040300000000, 0.1406792700000000, -0.2035043800000000 ] - [ 0.0000264100000000, -0.0003372400000000, -0.0002952400000000 ] - [ 0.0001197400000000, -0.0000498000000000, -0.0002764100000000 ] - [ 0.0000087400000000, -0.0001774300000000, -0.0000568700000000 ] - [ 0.0001195700000000, -0.0005091900000000, -0.0000487100000000 ] - [ 0.0002195300000000, -0.0004919200000000, 0.0000843300000000 ] - [ -0.0001748200000000, 0.0004759300000000, 0.0010659600000000 ] - [ -0.0002297500000000, 0.0003499400000000, 0.0004852500000000 ] - [ -0.0001179800000000, 0.0002067400000000, 0.0002293100000000 ] - [ -0.0001634400000000, 0.0003171500000000, 0.0002163800000000 ] - [ -0.0001565100000000, 0.0006865000000000, 0.0005222600000000 ] - [ -0.0001769500000000, 0.0004583500000000, 0.0002652200000000 ] - [ 0.1313040300000000, -0.1406792700000000, -0.2035043800000000 ] - [ -0.0000264100000000, 0.0003372400000000, -0.0002952400000000 ] - [ -0.0001195700000000, 0.0005091900000000, -0.0000487100000000 ] - [ -0.0002195300000000, 0.0004919200000000, 0.0000843300000000 ] - [ -0.0001197400000000, 0.0000498000000000, -0.0002764100000000 ] - [ -0.0000087400000000, 0.0001774300000000, -0.0000568700000000 ] - [ 0.0004129100000000, 0.0006466400000000, 0.0008385700000000 ] - [ 0.0000484400000000, 0.0005429500000000, 0.0005328600000000 ] - [ 0.0003635400000000, 0.0002699200000000, 0.0005440900000000 ] - [ 0.0000066500000000, 0.0002061300000000, 0.0002947800000000 ] - [ 0.0001687800000000, 0.0003952600000000, 0.0002245400000000 ] - [ 0.0001194100000000, 0.0003643400000000, 0.0001999100000000 ] - [ -0.0004704400000000, -0.0002223200000000, -0.0020427600000000 ] - [ 0.0010409100000000, -0.0001601100000000, -0.0001353400000000 ] - [ -0.0003591900000000, 0.0014261100000000, -0.0000428100000000 ] - [ 0.0008364800000000, 0.0011975300000000, -0.0000245800000000 ] - [ 0.0001451000000000, 0.0003478800000000, 0.0000539600000000 ] - [ 0.0001142400000000, 0.0003099200000000, 0.0000364000000000 ] - [ -0.0004129100000000, -0.0006466400000000, 0.0008385700000000 ] - [ -0.0000484400000000, -0.0005429500000000, 0.0005328600000000 ] - [ -0.0001687800000000, -0.0003952600000000, 0.0002245400000000 ] - [ -0.0001194100000000, -0.0003643400000000, 0.0001999100000000 ] - [ -0.0003635400000000, -0.0002699200000000, 0.0005440900000000 ] - [ -0.0000066500000000, -0.0002061300000000, 0.0002947800000000 ] - [ 0.0004704400000000, 0.0002223200000000, -0.0020427600000000 ] - [ -0.0010409100000000, 0.0001601100000000, -0.0001353400000000 ] - [ -0.0001451000000000, -0.0003478800000000, 0.0000539600000000 ] - [ -0.0001142400000000, -0.0003099200000000, 0.0000364000000000 ] - [ 0.0003591900000000, -0.0014261100000000, -0.0000428100000000 ] - [ -0.0008364800000000, -0.0011975300000000, -0.0000245800000000 ] - [ 0.0010639200000000, -0.0042435600000000, 0.0027910100000000 ] - [ 0.0003240300000000, -0.0006342700000000, 0.0000933200000000 ] - [ 0.0001304600000000, -0.0003822800000000, 0.0001030600000000 ] - [ 0.0001478900000000, -0.0003562700000000, 0.0001020900000000 ] - [ -0.0013647000000000, 0.0018010000000000, -0.0012230000000000 ] - [ 0.0000815800000000, -0.0001554500000000, 0.0000002700000000 ] - [ -0.0002240000000000, 0.0006487500000000, 0.0004314000000000 ] - [ 0.0000156400000000, -0.0002125900000000, 0.0002268000000000 ] - [ 0.0001348500000000, -0.0003497000000000, 0.0001662400000000 ] - [ 0.0001341500000000, -0.0003503400000000, 0.0001626100000000 ] - [ 0.0007683400000000, -0.0010364900000000, 0.0008712900000000 ] - [ 0.0002272800000000, -0.0005513600000000, 0.0003081500000000 ] - [ -0.0010639200000000, 0.0042435600000000, 0.0027910100000000 ] - [ -0.0003240300000000, 0.0006342700000000, 0.0000933200000000 ] - [ 0.0013647000000000, -0.0018010000000000, -0.0012230000000000 ] - [ -0.0000815800000000, 0.0001554500000000, 0.0000002700000000 ] - [ -0.0001304600000000, 0.0003822800000000, 0.0001030600000000 ] - [ -0.0001478900000000, 0.0003562700000000, 0.0001020900000000 ] - [ 0.0002240000000000, -0.0006487500000000, 0.0004314000000000 ] - [ -0.0000156400000000, 0.0002125900000000, 0.0002268000000000 ] - [ -0.0007683400000000, 0.0010364900000000, 0.0008712900000000 ] - [ -0.0002272800000000, 0.0005513600000000, 0.0003081500000000 ] - [ -0.0001348500000000, 0.0003497000000000, 0.0001662400000000 ] - [ -0.0001341500000000, 0.0003503400000000, 0.0001626100000000 ] - [ 0.0029771200000000, 0.0005272600000000, 0.0016432900000000 ] - [ -0.0013906600000000, -0.0007016800000000, -0.0005598100000000 ] - [ 0.0002170200000000, 0.0002895100000000, 0.0000941900000000 ] - [ -0.0000970200000000, 0.0001012800000000, 0.0000117600000000 ] - [ 0.0005177400000000, 0.0007746600000000, 0.0002261700000000 ] - [ 0.0000870300000000, 0.0003835600000000, -0.0000104000000000 ] - [ -0.0003044800000000, 0.0001883300000000, 0.0004382000000000 ] - [ 0.0004838700000000, 0.0009655800000000, 0.0009534100000000 ] - [ 0.0002243100000000, 0.0004468800000000, 0.0002695600000000 ] - [ 0.0002671400000000, 0.0004746100000000, 0.0002382000000000 ] - [ 0.0000035100000000, 0.0002173600000000, 0.0001579900000000 ] - [ 0.0001242700000000, 0.0003147600000000, 0.0002165500000000 ] - [ -0.0029771200000000, -0.0005272600000000, 0.0016432900000000 ] - [ 0.0013906600000000, 0.0007016800000000, -0.0005598100000000 ] - [ -0.0005177400000000, -0.0007746600000000, 0.0002261700000000 ] - [ -0.0000870300000000, -0.0003835600000000, -0.0000104000000000 ] - [ -0.0002170200000000, -0.0002895100000000, 0.0000941900000000 ] - [ 0.0000970200000000, -0.0001012800000000, 0.0000117600000000 ] - [ 0.0003044800000000, -0.0001883300000000, 0.0004382000000000 ] - [ -0.0004838700000000, -0.0009655800000000, 0.0009534100000000 ] - [ -0.0000035100000000, -0.0002173600000000, 0.0001579900000000 ] - [ -0.0001242700000000, -0.0003147600000000, 0.0002165500000000 ] - [ -0.0002243100000000, -0.0004468800000000, 0.0002695600000000 ] - [ -0.0002671400000000, -0.0004746100000000, 0.0002382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4094019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008391900000000 ] - [ -0.0000837800000000, -0.0003381700000000, 0.0005268900000000 ] - [ 0.0000840000000000, -0.0002846500000000, 0.0000840500000000 ] - [ 0.0000837800000000, 0.0003381700000000, 0.0005268900000000 ] - [ -0.0000840000000000, 0.0002846500000000, 0.0000840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020910700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009907700000000 ] - [ -0.0000777000000000, 0.0002898300000000, -0.0007556300000000 ] - [ 0.0000069700000000, 0.0000790900000000, -0.0005190200000000 ] - [ 0.0000777000000000, -0.0002898300000000, -0.0007556300000000 ] - [ -0.0000069700000000, -0.0000790900000000, -0.0005190200000000 ] - [ -0.0040140600000000, -0.0016888300000000, -0.0020137700000000 ] - [ 0.0040140600000000, 0.0016888300000000, -0.0020137700000000 ] - [ -0.0003402600000000, 0.0002778200000000, -0.0003008900000000 ] - [ 0.0004143200000000, 0.0004813600000000, -0.0004215100000000 ] - [ -0.0004143200000000, -0.0004813600000000, -0.0004215100000000 ] - [ 0.0003402600000000, -0.0002778200000000, -0.0003008900000000 ] - [ 0.0018140100000000, 0.0008127500000000, -0.0020183300000000 ] - [ -0.0018140100000000, -0.0008127500000000, -0.0020183300000000 ] - [ 0.0000014600000000, -0.0002810800000000, -0.0004254300000000 ] - [ -0.0001620600000000, -0.0002641600000000, -0.0003061500000000 ] - [ 0.0001620600000000, 0.0002641600000000, -0.0003061500000000 ] - [ -0.0000014600000000, 0.0002810800000000, -0.0004254300000000 ] - [ 0.0027769000000000, -0.0054201600000000, -0.0016790500000000 ] - [ -0.0000341800000000, -0.0005086900000000, -0.0003956900000000 ] - [ -0.0027769000000000, 0.0054201600000000, -0.0016790500000000 ] - [ 0.0000341800000000, 0.0005086900000000, -0.0003956900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002848100000000 ] - [ -0.0010951500000000, 0.0027775300000000, -0.0016801500000000 ] - [ -0.0000924000000000, 0.0003206500000000, -0.0004029800000000 ] - [ 0.0010951500000000, -0.0027775300000000, -0.0016801500000000 ] - [ 0.0000924000000000, -0.0003206500000000, -0.0004029800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002866500000000 ] - [ 0.0004100300000000, 0.0005369400000000, 0.0015637200000000 ] - [ -0.0027135600000000, 0.0026790300000000, 0.0015404000000000 ] - [ 0.0027135600000000, -0.0026790300000000, 0.0015404000000000 ] - [ -0.0004100300000000, -0.0005369400000000, 0.0015637200000000 ] - [ -0.0000369900000000, -0.0000341800000000, -0.0000496900000000 ] - [ 0.0000369900000000, 0.0000341800000000, -0.0000496900000000 ] - [ -0.0002923200000000, -0.0003290200000000, -0.0010881800000000 ] - [ 0.0002039200000000, -0.0001655000000000, -0.0010877900000000 ] - [ -0.0002039200000000, 0.0001655000000000, -0.0010877900000000 ] - [ 0.0002923200000000, 0.0003290200000000, -0.0010881800000000 ] - [ -0.0000475400000000, -0.0000151000000000, -0.0004621200000000 ] - [ 0.0000475400000000, 0.0000151000000000, -0.0004621200000000 ]