# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ef991f2e-9cbb-409b-8f4f-4903acb1148f/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 Na6Zn3As4H6O19 / P2_13 (198) / materials id 758925](https://mdr.nims.go.jp/datasets/749613a4-2411-41f7-9aaf-d37314651d08) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_13" number: 198 Hall_symbol: "P 2ac 2ab 3"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.223076030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.223076030000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.223076030000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.003283380000000, 0.257207430000000, 0.573678170000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.006415910000000, 0.740903030000000, 0.323091740000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.073678170000000, 0.496716620000000, 0.742792570000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.176908260000000, 0.993584090000000, 0.240903030000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.240903030000000, 0.176908260000000, 0.993584090000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.242792570000000, 0.426321830000000, 0.503283380000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.257207430000000, 0.573678170000000, 0.003283380000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.259096970000000, 0.823091740000000, 0.493584090000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.323091740000000, 0.006415910000000, 0.740903030000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.426321830000000, 0.503283380000000, 0.242792570000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.493584090000000, 0.259096970000000, 0.823091740000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.496716620000000, 0.742792570000000, 0.073678170000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.503283380000000, 0.242792570000000, 0.426321830000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.506415910000000, 0.759096970000000, 0.676908260000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.573678170000000, 0.003283380000000, 0.257207430000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.676908260000000, 0.506415910000000, 0.759096970000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.740903030000000, 0.323091740000000, 0.006415910000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.742792570000000, 0.073678170000000, 0.496716620000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.757207430000000, 0.926321830000000, 0.996716620000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.759096970000000, 0.676908260000000, 0.506415910000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.823091740000000, 0.493584090000000, 0.259096970000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.926321830000000, 0.996716620000000, 0.757207430000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.993584090000000, 0.240903030000000, 0.176908260000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.996716620000000, 0.757207430000000, 0.926321830000000 ] mass: 22.989769 - symbol: Zn # 25 coordinates: [ 0.009511720000000, 0.752440070000000, 0.624759260000000 ] mass: 65.380000 - symbol: Zn # 26 coordinates: [ 0.124759260000000, 0.490488280000000, 0.247559930000000 ] mass: 65.380000 - symbol: Zn # 27 coordinates: [ 0.247559930000000, 0.124759260000000, 0.490488280000000 ] mass: 65.380000 - symbol: Zn # 28 coordinates: [ 0.252440070000000, 0.875240740000000, 0.990488280000000 ] mass: 65.380000 - symbol: Zn # 29 coordinates: [ 0.375240740000000, 0.509511720000000, 0.747559930000000 ] mass: 65.380000 - symbol: Zn # 30 coordinates: [ 0.490488280000000, 0.247559930000000, 0.124759260000000 ] mass: 65.380000 - symbol: Zn # 31 coordinates: [ 0.509511720000000, 0.747559930000000, 0.375240740000000 ] mass: 65.380000 - symbol: Zn # 32 coordinates: [ 0.624759260000000, 0.009511720000000, 0.752440070000000 ] mass: 65.380000 - symbol: Zn # 33 coordinates: [ 0.747559930000000, 0.375240740000000, 0.509511720000000 ] mass: 65.380000 - symbol: Zn # 34 coordinates: [ 0.752440070000000, 0.624759260000000, 0.009511720000000 ] mass: 65.380000 - symbol: Zn # 35 coordinates: [ 0.875240740000000, 0.990488280000000, 0.252440070000000 ] mass: 65.380000 - symbol: Zn # 36 coordinates: [ 0.990488280000000, 0.252440070000000, 0.875240740000000 ] mass: 65.380000 - symbol: As # 37 coordinates: [ 0.016461270000000, 0.983538730000000, 0.483538730000000 ] mass: 74.921600 - symbol: As # 38 coordinates: [ 0.032101760000000, 0.032101760000000, 0.032101760000000 ] mass: 74.921600 - symbol: As # 39 coordinates: [ 0.219761690000000, 0.280238310000000, 0.719761690000000 ] mass: 74.921600 - symbol: As # 40 coordinates: [ 0.232306020000000, 0.732306020000000, 0.767693980000000 ] mass: 74.921600 - symbol: As # 41 coordinates: [ 0.267693980000000, 0.267693980000000, 0.267693980000000 ] mass: 74.921600 - symbol: As # 42 coordinates: [ 0.280238310000000, 0.719761690000000, 0.219761690000000 ] mass: 74.921600 - symbol: As # 43 coordinates: [ 0.467898240000000, 0.967898240000000, 0.532101760000000 ] mass: 74.921600 - symbol: As # 44 coordinates: [ 0.483538730000000, 0.016461270000000, 0.983538730000000 ] mass: 74.921600 - symbol: As # 45 coordinates: [ 0.516461270000000, 0.516461270000000, 0.516461270000000 ] mass: 74.921600 - symbol: As # 46 coordinates: [ 0.532101760000000, 0.467898240000000, 0.967898240000000 ] mass: 74.921600 - symbol: As # 47 coordinates: [ 0.719761690000000, 0.219761690000000, 0.280238310000000 ] mass: 74.921600 - symbol: As # 48 coordinates: [ 0.732306020000000, 0.767693980000000, 0.232306020000000 ] mass: 74.921600 - symbol: As # 49 coordinates: [ 0.767693980000000, 0.232306020000000, 0.732306020000000 ] mass: 74.921600 - symbol: As # 50 coordinates: [ 0.780238310000000, 0.780238310000000, 0.780238310000000 ] mass: 74.921600 - symbol: As # 51 coordinates: [ 0.967898240000000, 0.532101760000000, 0.467898240000000 ] mass: 74.921600 - symbol: As # 52 coordinates: [ 0.983538730000000, 0.483538730000000, 0.016461270000000 ] mass: 74.921600 - symbol: H # 53 coordinates: [ 0.049319800000000, 0.176146470000000, 0.382179510000000 ] mass: 1.007940 - symbol: H # 54 coordinates: [ 0.074977440000000, 0.301089820000000, 0.367096740000000 ] mass: 1.007940 - symbol: H # 55 coordinates: [ 0.132903260000000, 0.925022560000000, 0.801089820000000 ] mass: 1.007940 - symbol: H # 56 coordinates: [ 0.117820490000000, 0.950680200000000, 0.676146470000000 ] mass: 1.007940 - symbol: H # 57 coordinates: [ 0.176146470000000, 0.382179510000000, 0.049319800000000 ] mass: 1.007940 - symbol: H # 58 coordinates: [ 0.198910180000000, 0.632903260000000, 0.574977440000000 ] mass: 1.007940 - symbol: H # 59 coordinates: [ 0.301089820000000, 0.367096740000000, 0.074977440000000 ] mass: 1.007940 - symbol: H # 60 coordinates: [ 0.323853530000000, 0.617820490000000, 0.549319800000000 ] mass: 1.007940 - symbol: H # 61 coordinates: [ 0.382179510000000, 0.049319800000000, 0.176146470000000 ] mass: 1.007940 - symbol: H # 62 coordinates: [ 0.367096740000000, 0.074977440000000, 0.301089820000000 ] mass: 1.007940 - symbol: H # 63 coordinates: [ 0.425022560000000, 0.698910180000000, 0.867096740000000 ] mass: 1.007940 - symbol: H # 64 coordinates: [ 0.450680200000000, 0.823853530000000, 0.882179510000000 ] mass: 1.007940 - symbol: H # 65 coordinates: [ 0.549319800000000, 0.323853530000000, 0.617820490000000 ] mass: 1.007940 - symbol: H # 66 coordinates: [ 0.574977440000000, 0.198910180000000, 0.632903260000000 ] mass: 1.007940 - symbol: H # 67 coordinates: [ 0.632903260000000, 0.574977440000000, 0.198910180000000 ] mass: 1.007940 - symbol: H # 68 coordinates: [ 0.617820490000000, 0.549319800000000, 0.323853530000000 ] mass: 1.007940 - symbol: H # 69 coordinates: [ 0.676146470000000, 0.117820490000000, 0.950680200000000 ] mass: 1.007940 - symbol: H # 70 coordinates: [ 0.698910180000000, 0.867096740000000, 0.425022560000000 ] mass: 1.007940 - symbol: H # 71 coordinates: [ 0.801089820000000, 0.132903260000000, 0.925022560000000 ] mass: 1.007940 - symbol: H # 72 coordinates: [ 0.823853530000000, 0.882179510000000, 0.450680200000000 ] mass: 1.007940 - symbol: H # 73 coordinates: [ 0.882179510000000, 0.450680200000000, 0.823853530000000 ] mass: 1.007940 - symbol: H # 74 coordinates: [ 0.867096740000000, 0.425022560000000, 0.698910180000000 ] mass: 1.007940 - symbol: H # 75 coordinates: [ 0.925022560000000, 0.801089820000000, 0.132903260000000 ] mass: 1.007940 - symbol: H # 76 coordinates: [ 0.950680200000000, 0.676146470000000, 0.117820490000000 ] mass: 1.007940 - symbol: O # 77 coordinates: [ 0.012415450000000, 0.249120260000000, 0.375812190000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.005591440000000, 0.541481870000000, 0.333384130000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.041481870000000, 0.166615870000000, 0.994408560000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.046416070000000, 0.453583930000000, 0.546416070000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.057228560000000, 0.418337780000000, 0.117039450000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.062240070000000, 0.562240070000000, 0.937759930000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.081662220000000, 0.882960550000000, 0.557228560000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.089010740000000, 0.303073110000000, 0.765160370000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.117039450000000, 0.057228560000000, 0.418337780000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.124187810000000, 0.987584550000000, 0.749120260000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.129656380000000, 0.670824090000000, 0.694221620000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.166615870000000, 0.994408560000000, 0.041481870000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.170824090000000, 0.805778380000000, 0.870343620000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.189562070000000, 0.189562070000000, 0.189562070000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.196926890000000, 0.234839630000000, 0.589010740000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.194221620000000, 0.370343620000000, 0.329175910000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.201455440000000, 0.798544560000000, 0.298544560000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.234839630000000, 0.589010740000000, 0.196926890000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.250879740000000, 0.624187810000000, 0.512415450000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.249120260000000, 0.375812190000000, 0.012415450000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.265160370000000, 0.410989260000000, 0.696926890000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.298544560000000, 0.201455440000000, 0.798544560000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.305778380000000, 0.629656380000000, 0.829175910000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.303073110000000, 0.765160370000000, 0.089010740000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.310437930000000, 0.810437930000000, 0.689562070000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.329175910000000, 0.194221620000000, 0.370343620000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.333384130000000, 0.005591440000000, 0.541481870000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.370343620000000, 0.329175910000000, 0.194221620000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.375812190000000, 0.012415450000000, 0.249120260000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.382960550000000, 0.942771440000000, 0.918337780000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.410989260000000, 0.696926890000000, 0.265160370000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.418337780000000, 0.117039450000000, 0.057228560000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.437759930000000, 0.437759930000000, 0.437759930000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.442771440000000, 0.581662220000000, 0.617039450000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.453583930000000, 0.546416070000000, 0.046416070000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.458518130000000, 0.833384130000000, 0.494408560000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.494408560000000, 0.458518130000000, 0.833384130000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.487584550000000, 0.750879740000000, 0.875812190000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.512415450000000, 0.250879740000000, 0.624187810000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.505591440000000, 0.958518130000000, 0.666615870000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.541481870000000, 0.333384130000000, 0.005591440000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.546416070000000, 0.046416070000000, 0.453583930000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.557228560000000, 0.081662220000000, 0.882960550000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.562240070000000, 0.937759930000000, 0.062240070000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.581662220000000, 0.617039450000000, 0.442771440000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.589010740000000, 0.196926890000000, 0.234839630000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.617039450000000, 0.442771440000000, 0.581662220000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.624187810000000, 0.512415450000000, 0.250879740000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.629656380000000, 0.829175910000000, 0.305778380000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.666615870000000, 0.505591440000000, 0.958518130000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.670824090000000, 0.694221620000000, 0.129656380000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.689562070000000, 0.310437930000000, 0.810437930000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.696926890000000, 0.265160370000000, 0.410989260000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.694221620000000, 0.129656380000000, 0.670824090000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.701455440000000, 0.701455440000000, 0.701455440000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.734839630000000, 0.910989260000000, 0.803073110000000 ] mass: 15.999400 - symbol: O # 133 coordinates: [ 0.750879740000000, 0.875812190000000, 0.487584550000000 ] mass: 15.999400 - symbol: O # 134 coordinates: [ 0.749120260000000, 0.124187810000000, 0.987584550000000 ] mass: 15.999400 - symbol: O # 135 coordinates: [ 0.765160370000000, 0.089010740000000, 0.303073110000000 ] mass: 15.999400 - symbol: O # 136 coordinates: [ 0.798544560000000, 0.298544560000000, 0.201455440000000 ] mass: 15.999400 - symbol: O # 137 coordinates: [ 0.805778380000000, 0.870343620000000, 0.170824090000000 ] mass: 15.999400 - symbol: O # 138 coordinates: [ 0.803073110000000, 0.734839630000000, 0.910989260000000 ] mass: 15.999400 - symbol: O # 139 coordinates: [ 0.810437930000000, 0.689562070000000, 0.310437930000000 ] mass: 15.999400 - symbol: O # 140 coordinates: [ 0.829175910000000, 0.305778380000000, 0.629656380000000 ] mass: 15.999400 - symbol: O # 141 coordinates: [ 0.833384130000000, 0.494408560000000, 0.458518130000000 ] mass: 15.999400 - symbol: O # 142 coordinates: [ 0.870343620000000, 0.170824090000000, 0.805778380000000 ] mass: 15.999400 - symbol: O # 143 coordinates: [ 0.875812190000000, 0.487584550000000, 0.750879740000000 ] mass: 15.999400 - symbol: O # 144 coordinates: [ 0.882960550000000, 0.557228560000000, 0.081662220000000 ] mass: 15.999400 - symbol: O # 145 coordinates: [ 0.910989260000000, 0.803073110000000, 0.734839630000000 ] mass: 15.999400 - symbol: O # 146 coordinates: [ 0.918337780000000, 0.382960550000000, 0.942771440000000 ] mass: 15.999400 - symbol: O # 147 coordinates: [ 0.937759930000000, 0.062240070000000, 0.562240070000000 ] mass: 15.999400 - symbol: O # 148 coordinates: [ 0.942771440000000, 0.918337780000000, 0.382960550000000 ] mass: 15.999400 - symbol: O # 149 coordinates: [ 0.953583930000000, 0.953583930000000, 0.953583930000000 ] mass: 15.999400 - symbol: O # 150 coordinates: [ 0.958518130000000, 0.666615870000000, 0.505591440000000 ] mass: 15.999400 - symbol: O # 151 coordinates: [ 0.994408560000000, 0.041481870000000, 0.166615870000000 ] mass: 15.999400 - symbol: O # 152 coordinates: [ 0.987584550000000, 0.749120260000000, 0.124187810000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.081812466644699, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.081812466644699, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081812466644699 ] # c*unit_cell: lattice: - [ 12.223076030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.223076030000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.223076030000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.003283380000000, 0.257207430000000, 0.573678170000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.006415910000000, 0.740903030000000, 0.323091740000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.073678170000000, 0.496716620000000, 0.742792570000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.176908260000000, 0.993584090000000, 0.240903030000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.240903030000000, 0.176908260000000, 0.993584090000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.242792570000000, 0.426321830000000, 0.503283380000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.257207430000000, 0.573678170000000, 0.003283380000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.259096970000000, 0.823091740000000, 0.493584090000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.323091740000000, 0.006415910000000, 0.740903030000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.426321830000000, 0.503283380000000, 0.242792570000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.493584090000000, 0.259096970000000, 0.823091740000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.496716620000000, 0.742792570000000, 0.073678170000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.503283380000000, 0.242792570000000, 0.426321830000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.506415910000000, 0.759096970000000, 0.676908260000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.573678170000000, 0.003283380000000, 0.257207430000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.676908260000000, 0.506415910000000, 0.759096970000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.740903030000000, 0.323091740000000, 0.006415910000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.742792570000000, 0.073678170000000, 0.496716620000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.757207430000000, 0.926321830000000, 0.996716620000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.759096970000000, 0.676908260000000, 0.506415910000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.823091740000000, 0.493584090000000, 0.259096970000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.926321830000000, 0.996716620000000, 0.757207430000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.993584090000000, 0.240903030000000, 0.176908260000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.996716620000000, 0.757207430000000, 0.926321830000000 ] mass: 22.989769 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.009511720000000, 0.752440070000000, 0.624759260000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.124759260000000, 0.490488280000000, 0.247559930000000 ] mass: 65.380000 reduced_to: 26 - symbol: Zn # 27 coordinates: [ 0.247559930000000, 0.124759260000000, 0.490488280000000 ] mass: 65.380000 reduced_to: 27 - symbol: Zn # 28 coordinates: [ 0.252440070000000, 0.875240740000000, 0.990488280000000 ] mass: 65.380000 reduced_to: 28 - symbol: Zn # 29 coordinates: [ 0.375240740000000, 0.509511720000000, 0.747559930000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.490488280000000, 0.247559930000000, 0.124759260000000 ] mass: 65.380000 reduced_to: 30 - symbol: Zn # 31 coordinates: [ 0.509511720000000, 0.747559930000000, 0.375240740000000 ] mass: 65.380000 reduced_to: 31 - symbol: Zn # 32 coordinates: [ 0.624759260000000, 0.009511720000000, 0.752440070000000 ] mass: 65.380000 reduced_to: 32 - symbol: Zn # 33 coordinates: [ 0.747559930000000, 0.375240740000000, 0.509511720000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 34 coordinates: [ 0.752440070000000, 0.624759260000000, 0.009511720000000 ] mass: 65.380000 reduced_to: 34 - symbol: Zn # 35 coordinates: [ 0.875240740000000, 0.990488280000000, 0.252440070000000 ] mass: 65.380000 reduced_to: 35 - symbol: Zn # 36 coordinates: [ 0.990488280000000, 0.252440070000000, 0.875240740000000 ] mass: 65.380000 reduced_to: 36 - symbol: As # 37 coordinates: [ 0.016461270000000, 0.983538730000000, 0.483538730000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 38 coordinates: [ 0.032101760000000, 0.032101760000000, 0.032101760000000 ] mass: 74.921600 reduced_to: 38 - symbol: As # 39 coordinates: [ 0.219761690000000, 0.280238310000000, 0.719761690000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 40 coordinates: [ 0.232306020000000, 0.732306020000000, 0.767693980000000 ] mass: 74.921600 reduced_to: 40 - symbol: As # 41 coordinates: [ 0.267693980000000, 0.267693980000000, 0.267693980000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.280238310000000, 0.719761690000000, 0.219761690000000 ] mass: 74.921600 reduced_to: 42 - symbol: As # 43 coordinates: [ 0.467898240000000, 0.967898240000000, 0.532101760000000 ] mass: 74.921600 reduced_to: 43 - symbol: As # 44 coordinates: [ 0.483538730000000, 0.016461270000000, 0.983538730000000 ] mass: 74.921600 reduced_to: 44 - symbol: As # 45 coordinates: [ 0.516461270000000, 0.516461270000000, 0.516461270000000 ] mass: 74.921600 reduced_to: 45 - symbol: As # 46 coordinates: [ 0.532101760000000, 0.467898240000000, 0.967898240000000 ] mass: 74.921600 reduced_to: 46 - symbol: As # 47 coordinates: [ 0.719761690000000, 0.219761690000000, 0.280238310000000 ] mass: 74.921600 reduced_to: 47 - symbol: As # 48 coordinates: [ 0.732306020000000, 0.767693980000000, 0.232306020000000 ] mass: 74.921600 reduced_to: 48 - symbol: As # 49 coordinates: [ 0.767693980000000, 0.232306020000000, 0.732306020000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.780238310000000, 0.780238310000000, 0.780238310000000 ] mass: 74.921600 reduced_to: 50 - symbol: As # 51 coordinates: [ 0.967898240000000, 0.532101760000000, 0.467898240000000 ] mass: 74.921600 reduced_to: 51 - symbol: As # 52 coordinates: [ 0.983538730000000, 0.483538730000000, 0.016461270000000 ] mass: 74.921600 reduced_to: 52 - symbol: H # 53 coordinates: [ 0.049319800000000, 0.176146470000000, 0.382179510000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.074977440000000, 0.301089820000000, 0.367096740000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 55 coordinates: [ 0.132903260000000, 0.925022560000000, 0.801089820000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.117820490000000, 0.950680200000000, 0.676146470000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 57 coordinates: [ 0.176146470000000, 0.382179510000000, 0.049319800000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.198910180000000, 0.632903260000000, 0.574977440000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 59 coordinates: [ 0.301089820000000, 0.367096740000000, 0.074977440000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.323853530000000, 0.617820490000000, 0.549319800000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 61 coordinates: [ 0.382179510000000, 0.049319800000000, 0.176146470000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.367096740000000, 0.074977440000000, 0.301089820000000 ] mass: 1.007940 reduced_to: 62 - symbol: H # 63 coordinates: [ 0.425022560000000, 0.698910180000000, 0.867096740000000 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.450680200000000, 0.823853530000000, 0.882179510000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 65 coordinates: [ 0.549319800000000, 0.323853530000000, 0.617820490000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.574977440000000, 0.198910180000000, 0.632903260000000 ] mass: 1.007940 reduced_to: 66 - symbol: H # 67 coordinates: [ 0.632903260000000, 0.574977440000000, 0.198910180000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 68 coordinates: [ 0.617820490000000, 0.549319800000000, 0.323853530000000 ] mass: 1.007940 reduced_to: 68 - symbol: H # 69 coordinates: [ 0.676146470000000, 0.117820490000000, 0.950680200000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 70 coordinates: [ 0.698910180000000, 0.867096740000000, 0.425022560000000 ] mass: 1.007940 reduced_to: 70 - symbol: H # 71 coordinates: [ 0.801089820000000, 0.132903260000000, 0.925022560000000 ] mass: 1.007940 reduced_to: 71 - symbol: H # 72 coordinates: [ 0.823853530000000, 0.882179510000000, 0.450680200000000 ] mass: 1.007940 reduced_to: 72 - symbol: H # 73 coordinates: [ 0.882179510000000, 0.450680200000000, 0.823853530000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.867096740000000, 0.425022560000000, 0.698910180000000 ] mass: 1.007940 reduced_to: 74 - symbol: H # 75 coordinates: [ 0.925022560000000, 0.801089820000000, 0.132903260000000 ] mass: 1.007940 reduced_to: 75 - symbol: H # 76 coordinates: [ 0.950680200000000, 0.676146470000000, 0.117820490000000 ] mass: 1.007940 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.012415450000000, 0.249120260000000, 0.375812190000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.005591440000000, 0.541481870000000, 0.333384130000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.041481870000000, 0.166615870000000, 0.994408560000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.046416070000000, 0.453583930000000, 0.546416070000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.057228560000000, 0.418337780000000, 0.117039450000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.062240070000000, 0.562240070000000, 0.937759930000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.081662220000000, 0.882960550000000, 0.557228560000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.089010740000000, 0.303073110000000, 0.765160370000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.117039450000000, 0.057228560000000, 0.418337780000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.124187810000000, 0.987584550000000, 0.749120260000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.129656380000000, 0.670824090000000, 0.694221620000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.166615870000000, 0.994408560000000, 0.041481870000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.170824090000000, 0.805778380000000, 0.870343620000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.189562070000000, 0.189562070000000, 0.189562070000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.196926890000000, 0.234839630000000, 0.589010740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.194221620000000, 0.370343620000000, 0.329175910000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.201455440000000, 0.798544560000000, 0.298544560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.234839630000000, 0.589010740000000, 0.196926890000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.250879740000000, 0.624187810000000, 0.512415450000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.249120260000000, 0.375812190000000, 0.012415450000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.265160370000000, 0.410989260000000, 0.696926890000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.298544560000000, 0.201455440000000, 0.798544560000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.305778380000000, 0.629656380000000, 0.829175910000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.303073110000000, 0.765160370000000, 0.089010740000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.310437930000000, 0.810437930000000, 0.689562070000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.329175910000000, 0.194221620000000, 0.370343620000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.333384130000000, 0.005591440000000, 0.541481870000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.370343620000000, 0.329175910000000, 0.194221620000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.375812190000000, 0.012415450000000, 0.249120260000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.382960550000000, 0.942771440000000, 0.918337780000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.410989260000000, 0.696926890000000, 0.265160370000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.418337780000000, 0.117039450000000, 0.057228560000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.437759930000000, 0.437759930000000, 0.437759930000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.442771440000000, 0.581662220000000, 0.617039450000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.453583930000000, 0.546416070000000, 0.046416070000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.458518130000000, 0.833384130000000, 0.494408560000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.494408560000000, 0.458518130000000, 0.833384130000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.487584550000000, 0.750879740000000, 0.875812190000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.512415450000000, 0.250879740000000, 0.624187810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.505591440000000, 0.958518130000000, 0.666615870000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.541481870000000, 0.333384130000000, 0.005591440000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.546416070000000, 0.046416070000000, 0.453583930000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.557228560000000, 0.081662220000000, 0.882960550000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.562240070000000, 0.937759930000000, 0.062240070000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.581662220000000, 0.617039450000000, 0.442771440000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.589010740000000, 0.196926890000000, 0.234839630000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.617039450000000, 0.442771440000000, 0.581662220000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.624187810000000, 0.512415450000000, 0.250879740000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.629656380000000, 0.829175910000000, 0.305778380000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.666615870000000, 0.505591440000000, 0.958518130000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.670824090000000, 0.694221620000000, 0.129656380000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.689562070000000, 0.310437930000000, 0.810437930000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.696926890000000, 0.265160370000000, 0.410989260000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.694221620000000, 0.129656380000000, 0.670824090000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.701455440000000, 0.701455440000000, 0.701455440000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.734839630000000, 0.910989260000000, 0.803073110000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.750879740000000, 0.875812190000000, 0.487584550000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.749120260000000, 0.124187810000000, 0.987584550000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.765160370000000, 0.089010740000000, 0.303073110000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.798544560000000, 0.298544560000000, 0.201455440000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.805778380000000, 0.870343620000000, 0.170824090000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.803073110000000, 0.734839630000000, 0.910989260000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.810437930000000, 0.689562070000000, 0.310437930000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.829175910000000, 0.305778380000000, 0.629656380000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.833384130000000, 0.494408560000000, 0.458518130000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.870343620000000, 0.170824090000000, 0.805778380000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.875812190000000, 0.487584550000000, 0.750879740000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.882960550000000, 0.557228560000000, 0.081662220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.910989260000000, 0.803073110000000, 0.734839630000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.918337780000000, 0.382960550000000, 0.942771440000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.937759930000000, 0.062240070000000, 0.562240070000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.942771440000000, 0.918337780000000, 0.382960550000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.953583930000000, 0.953583930000000, 0.953583930000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.958518130000000, 0.666615870000000, 0.505591440000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.994408560000000, 0.041481870000000, 0.166615870000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.987584550000000, 0.749120260000000, 0.124187810000000 ] mass: 15.999400 reduced_to: 152supercell: lattice: - [ 12.223076030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.223076030000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.223076030000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.003283380000000, 0.257207430000000, 0.573678170000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.006415910000000, 0.740903030000000, 0.323091740000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.073678170000000, 0.496716620000000, 0.742792570000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.176908260000000, 0.993584090000000, 0.240903030000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.240903030000000, 0.176908260000000, 0.993584090000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.242792570000000, 0.426321830000000, 0.503283380000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.257207430000000, 0.573678170000000, 0.003283380000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.259096970000000, 0.823091740000000, 0.493584090000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.323091740000000, 0.006415910000000, 0.740903030000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.426321830000000, 0.503283380000000, 0.242792570000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.493584090000000, 0.259096970000000, 0.823091740000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.496716620000000, 0.742792570000000, 0.073678170000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.503283380000000, 0.242792570000000, 0.426321830000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.506415910000000, 0.759096970000000, 0.676908260000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.573678170000000, 0.003283380000000, 0.257207430000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.676908260000000, 0.506415910000000, 0.759096970000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.740903030000000, 0.323091740000000, 0.006415910000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.742792570000000, 0.073678170000000, 0.496716620000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.757207430000000, 0.926321830000000, 0.996716620000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.759096970000000, 0.676908260000000, 0.506415910000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.823091740000000, 0.493584090000000, 0.259096970000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.926321830000000, 0.996716620000000, 0.757207430000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.993584090000000, 0.240903030000000, 0.176908260000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.996716620000000, 0.757207430000000, 0.926321830000000 ] mass: 22.989769 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.009511720000000, 0.752440070000000, 0.624759260000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.124759260000000, 0.490488280000000, 0.247559930000000 ] mass: 65.380000 reduced_to: 26 - symbol: Zn # 27 coordinates: [ 0.247559930000000, 0.124759260000000, 0.490488280000000 ] mass: 65.380000 reduced_to: 27 - symbol: Zn # 28 coordinates: [ 0.252440070000000, 0.875240740000000, 0.990488280000000 ] mass: 65.380000 reduced_to: 28 - symbol: Zn # 29 coordinates: [ 0.375240740000000, 0.509511720000000, 0.747559930000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.490488280000000, 0.247559930000000, 0.124759260000000 ] mass: 65.380000 reduced_to: 30 - symbol: Zn # 31 coordinates: [ 0.509511720000000, 0.747559930000000, 0.375240740000000 ] mass: 65.380000 reduced_to: 31 - symbol: Zn # 32 coordinates: [ 0.624759260000000, 0.009511720000000, 0.752440070000000 ] mass: 65.380000 reduced_to: 32 - symbol: Zn # 33 coordinates: [ 0.747559930000000, 0.375240740000000, 0.509511720000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 34 coordinates: [ 0.752440070000000, 0.624759260000000, 0.009511720000000 ] mass: 65.380000 reduced_to: 34 - symbol: Zn # 35 coordinates: [ 0.875240740000000, 0.990488280000000, 0.252440070000000 ] mass: 65.380000 reduced_to: 35 - symbol: Zn # 36 coordinates: [ 0.990488280000000, 0.252440070000000, 0.875240740000000 ] mass: 65.380000 reduced_to: 36 - symbol: As # 37 coordinates: [ 0.016461270000000, 0.983538730000000, 0.483538730000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 38 coordinates: [ 0.032101760000000, 0.032101760000000, 0.032101760000000 ] mass: 74.921600 reduced_to: 38 - symbol: As # 39 coordinates: [ 0.219761690000000, 0.280238310000000, 0.719761690000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 40 coordinates: [ 0.232306020000000, 0.732306020000000, 0.767693980000000 ] mass: 74.921600 reduced_to: 40 - symbol: As # 41 coordinates: [ 0.267693980000000, 0.267693980000000, 0.267693980000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.280238310000000, 0.719761690000000, 0.219761690000000 ] mass: 74.921600 reduced_to: 42 - symbol: As # 43 coordinates: [ 0.467898240000000, 0.967898240000000, 0.532101760000000 ] mass: 74.921600 reduced_to: 43 - symbol: As # 44 coordinates: [ 0.483538730000000, 0.016461270000000, 0.983538730000000 ] mass: 74.921600 reduced_to: 44 - symbol: As # 45 coordinates: [ 0.516461270000000, 0.516461270000000, 0.516461270000000 ] mass: 74.921600 reduced_to: 45 - symbol: As # 46 coordinates: [ 0.532101760000000, 0.467898240000000, 0.967898240000000 ] mass: 74.921600 reduced_to: 46 - symbol: As # 47 coordinates: [ 0.719761690000000, 0.219761690000000, 0.280238310000000 ] mass: 74.921600 reduced_to: 47 - symbol: As # 48 coordinates: [ 0.732306020000000, 0.767693980000000, 0.232306020000000 ] mass: 74.921600 reduced_to: 48 - symbol: As # 49 coordinates: [ 0.767693980000000, 0.232306020000000, 0.732306020000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.780238310000000, 0.780238310000000, 0.780238310000000 ] mass: 74.921600 reduced_to: 50 - symbol: As # 51 coordinates: [ 0.967898240000000, 0.532101760000000, 0.467898240000000 ] mass: 74.921600 reduced_to: 51 - symbol: As # 52 coordinates: [ 0.983538730000000, 0.483538730000000, 0.016461270000000 ] mass: 74.921600 reduced_to: 52 - symbol: H # 53 coordinates: [ 0.049319800000000, 0.176146470000000, 0.382179510000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.074977440000000, 0.301089820000000, 0.367096740000000 ] mass: 1.007940 reduced_to: 54 - symbol: H # 55 coordinates: [ 0.132903260000000, 0.925022560000000, 0.801089820000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.117820490000000, 0.950680200000000, 0.676146470000000 ] mass: 1.007940 reduced_to: 56 - symbol: H # 57 coordinates: [ 0.176146470000000, 0.382179510000000, 0.049319800000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.198910180000000, 0.632903260000000, 0.574977440000000 ] mass: 1.007940 reduced_to: 58 - symbol: H # 59 coordinates: [ 0.301089820000000, 0.367096740000000, 0.074977440000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.323853530000000, 0.617820490000000, 0.549319800000000 ] mass: 1.007940 reduced_to: 60 - symbol: H # 61 coordinates: [ 0.382179510000000, 0.049319800000000, 0.176146470000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.367096740000000, 0.074977440000000, 0.301089820000000 ] mass: 1.007940 reduced_to: 62 - symbol: H # 63 coordinates: [ 0.425022560000000, 0.698910180000000, 0.867096740000000 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.450680200000000, 0.823853530000000, 0.882179510000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 65 coordinates: [ 0.549319800000000, 0.323853530000000, 0.617820490000000 ] mass: 1.007940 reduced_to: 65 - symbol: H # 66 coordinates: [ 0.574977440000000, 0.198910180000000, 0.632903260000000 ] mass: 1.007940 reduced_to: 66 - symbol: H # 67 coordinates: [ 0.632903260000000, 0.574977440000000, 0.198910180000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 68 coordinates: [ 0.617820490000000, 0.549319800000000, 0.323853530000000 ] mass: 1.007940 reduced_to: 68 - symbol: H # 69 coordinates: [ 0.676146470000000, 0.117820490000000, 0.950680200000000 ] mass: 1.007940 reduced_to: 69 - symbol: H # 70 coordinates: [ 0.698910180000000, 0.867096740000000, 0.425022560000000 ] mass: 1.007940 reduced_to: 70 - symbol: H # 71 coordinates: [ 0.801089820000000, 0.132903260000000, 0.925022560000000 ] mass: 1.007940 reduced_to: 71 - symbol: H # 72 coordinates: [ 0.823853530000000, 0.882179510000000, 0.450680200000000 ] mass: 1.007940 reduced_to: 72 - symbol: H # 73 coordinates: [ 0.882179510000000, 0.450680200000000, 0.823853530000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.867096740000000, 0.425022560000000, 0.698910180000000 ] mass: 1.007940 reduced_to: 74 - symbol: H # 75 coordinates: [ 0.925022560000000, 0.801089820000000, 0.132903260000000 ] mass: 1.007940 reduced_to: 75 - symbol: H # 76 coordinates: [ 0.950680200000000, 0.676146470000000, 0.117820490000000 ] mass: 1.007940 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.012415450000000, 0.249120260000000, 0.375812190000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.005591440000000, 0.541481870000000, 0.333384130000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.041481870000000, 0.166615870000000, 0.994408560000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.046416070000000, 0.453583930000000, 0.546416070000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.057228560000000, 0.418337780000000, 0.117039450000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.062240070000000, 0.562240070000000, 0.937759930000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.081662220000000, 0.882960550000000, 0.557228560000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.089010740000000, 0.303073110000000, 0.765160370000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.117039450000000, 0.057228560000000, 0.418337780000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.124187810000000, 0.987584550000000, 0.749120260000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.129656380000000, 0.670824090000000, 0.694221620000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.166615870000000, 0.994408560000000, 0.041481870000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.170824090000000, 0.805778380000000, 0.870343620000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.189562070000000, 0.189562070000000, 0.189562070000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.196926890000000, 0.234839630000000, 0.589010740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.194221620000000, 0.370343620000000, 0.329175910000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.201455440000000, 0.798544560000000, 0.298544560000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.234839630000000, 0.589010740000000, 0.196926890000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.250879740000000, 0.624187810000000, 0.512415450000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.249120260000000, 0.375812190000000, 0.012415450000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.265160370000000, 0.410989260000000, 0.696926890000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.298544560000000, 0.201455440000000, 0.798544560000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.305778380000000, 0.629656380000000, 0.829175910000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.303073110000000, 0.765160370000000, 0.089010740000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.310437930000000, 0.810437930000000, 0.689562070000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.329175910000000, 0.194221620000000, 0.370343620000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.333384130000000, 0.005591440000000, 0.541481870000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.370343620000000, 0.329175910000000, 0.194221620000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.375812190000000, 0.012415450000000, 0.249120260000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.382960550000000, 0.942771440000000, 0.918337780000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.410989260000000, 0.696926890000000, 0.265160370000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.418337780000000, 0.117039450000000, 0.057228560000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.437759930000000, 0.437759930000000, 0.437759930000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.442771440000000, 0.581662220000000, 0.617039450000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.453583930000000, 0.546416070000000, 0.046416070000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.458518130000000, 0.833384130000000, 0.494408560000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.494408560000000, 0.458518130000000, 0.833384130000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.487584550000000, 0.750879740000000, 0.875812190000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.512415450000000, 0.250879740000000, 0.624187810000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.505591440000000, 0.958518130000000, 0.666615870000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.541481870000000, 0.333384130000000, 0.005591440000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.546416070000000, 0.046416070000000, 0.453583930000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.557228560000000, 0.081662220000000, 0.882960550000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.562240070000000, 0.937759930000000, 0.062240070000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.581662220000000, 0.617039450000000, 0.442771440000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.589010740000000, 0.196926890000000, 0.234839630000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.617039450000000, 0.442771440000000, 0.581662220000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.624187810000000, 0.512415450000000, 0.250879740000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.629656380000000, 0.829175910000000, 0.305778380000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.666615870000000, 0.505591440000000, 0.958518130000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.670824090000000, 0.694221620000000, 0.129656380000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.689562070000000, 0.310437930000000, 0.810437930000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.696926890000000, 0.265160370000000, 0.410989260000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.694221620000000, 0.129656380000000, 0.670824090000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.701455440000000, 0.701455440000000, 0.701455440000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.734839630000000, 0.910989260000000, 0.803073110000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.750879740000000, 0.875812190000000, 0.487584550000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.749120260000000, 0.124187810000000, 0.987584550000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.765160370000000, 0.089010740000000, 0.303073110000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.798544560000000, 0.298544560000000, 0.201455440000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.805778380000000, 0.870343620000000, 0.170824090000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.803073110000000, 0.734839630000000, 0.910989260000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.810437930000000, 0.689562070000000, 0.310437930000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.829175910000000, 0.305778380000000, 0.629656380000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.833384130000000, 0.494408560000000, 0.458518130000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.870343620000000, 0.170824090000000, 0.805778380000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.875812190000000, 0.487584550000000, 0.750879740000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.882960550000000, 0.557228560000000, 0.081662220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.910989260000000, 0.803073110000000, 0.734839630000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.918337780000000, 0.382960550000000, 0.942771440000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.937759930000000, 0.062240070000000, 0.562240070000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.942771440000000, 0.918337780000000, 0.382960550000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.953583930000000, 0.953583930000000, 0.953583930000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.958518130000000, 0.666615870000000, 0.505591440000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.994408560000000, 0.041481870000000, 0.166615870000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.987584550000000, 0.749120260000000, 0.124187810000000 ] mass: 15.999400 reduced_to: 152displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0418165600000000, 0.0040600900000000, 0.0044744300000000 ] - [ -0.0004305900000000, 0.0001032200000000, -0.0004996000000000 ] - [ -0.0009675600000000, 0.0006697200000000, 0.0007587800000000 ] - [ 0.0004416400000000, 0.0001464100000000, -0.0001474800000000 ] - [ 0.0000301500000000, 0.0002981000000000, 0.0007714400000000 ] - [ 0.0018847800000000, 0.0020529500000000, -0.0006740500000000 ] - [ -0.0003923900000000, 0.0000322300000000, 0.0003309400000000 ] - [ -0.0001054700000000, -0.0006295400000000, 0.0002880200000000 ] - [ -0.0000820600000000, -0.0009616500000000, 0.0002499800000000 ] - [ 0.0002717000000000, 0.0003080200000000, 0.0004155400000000 ] - [ 0.0013415400000000, 0.0000137400000000, -0.0004838500000000 ] - [ -0.0001270100000000, 0.0004139400000000, -0.0000669200000000 ] - [ 0.0010234500000000, 0.0005121900000000, 0.0000440300000000 ] - [ -0.0001096900000000, -0.0000384200000000, 0.0005141900000000 ] - [ 0.0001629400000000, 0.0003296900000000, -0.0004237300000000 ] - [ 0.0009692800000000, -0.0008168300000000, -0.0002866500000000 ] - [ 0.0000312100000000, -0.0006843900000000, -0.0005994200000000 ] - [ 0.0015477000000000, 0.0012775200000000, 0.0003434600000000 ] - [ -0.0004230600000000, 0.0001931600000000, -0.0003087300000000 ] - [ -0.0000220900000000, 0.0003033600000000, -0.0002597600000000 ] - [ -0.0006266200000000, 0.0001056800000000, 0.0002005600000000 ] - [ -0.0005106000000000, 0.0003473200000000, -0.0007455300000000 ] - [ -0.0000625900000000, 0.0000518000000000, 0.0004571500000000 ] - [ -0.0004052400000000, -0.0004242300000000, 0.0000634000000000 ] - [ -0.0001415800000000, -0.0003346900000000, 0.0003317800000000 ] - [ -0.0000526800000000, 0.0002507900000000, 0.0002893200000000 ] - [ 0.0035678800000000, -0.0034282800000000, -0.0035583100000000 ] - [ -0.0004755600000000, -0.0003136600000000, -0.0001304100000000 ] - [ 0.0010547300000000, 0.0013007600000000, 0.0008670300000000 ] - [ 0.0005094300000000, 0.0004033200000000, 0.0003694300000000 ] - [ 0.0005047400000000, 0.0004479900000000, -0.0003694400000000 ] - [ 0.0012827500000000, 0.0012011400000000, -0.0010281400000000 ] - [ 0.0046302800000000, -0.0036451300000000, 0.0027053500000000 ] - [ -0.0005936100000000, 0.0003516700000000, 0.0000710000000000 ] - [ -0.0007717900000000, 0.0000135200000000, -0.0002678500000000 ] - [ -0.0036712700000000, -0.0015569400000000, -0.0000105400000000 ] - [ -0.0050368600000000, -0.0004713900000000, 0.0024985800000000 ] - [ -0.0003385100000000, -0.0000391000000000, 0.0002857000000000 ] - [ 0.0073475100000000, 0.0044068400000000, 0.0106499300000000 ] - [ -0.0004277000000000, -0.0000807400000000, 0.0001538400000000 ] - [ 0.0005441000000000, 0.0004266300000000, -0.0011344400000000 ] - [ 0.0006606600000000, -0.0003917700000000, -0.0004519200000000 ] - [ 0.0016198100000000, -0.0005365500000000, 0.0004746700000000 ] - [ 0.0011569800000000, -0.0002581000000000, 0.0001915900000000 ] - [ 0.0013351000000000, -0.0009939700000000, 0.0000946900000000 ] - [ 0.0010190500000000, -0.0004599900000000, -0.0000994700000000 ] - [ -0.0000841800000000, 0.0002302800000000, 0.0026176800000000 ] - [ -0.0001123900000000, 0.0002744900000000, -0.0002257900000000 ] - [ 0.0066075400000000, 0.0035741100000000, -0.0079631300000000 ] - [ 0.0001835500000000, 0.0006346200000000, 0.0004008300000000 ] - [ -0.0040340600000000, -0.0009322800000000, -0.0006465500000000 ] - [ -0.0004162700000000, 0.0003310800000000, -0.0004567600000000 ] - [ -0.0006078700000000, 0.0001643100000000, -0.0016257800000000 ] - [ 0.0000606100000000, -0.0003434800000000, -0.0025663100000000 ] - [ 0.0002772200000000, -0.0002409100000000, -0.0002549600000000 ] - [ -0.0002763500000000, -0.0004254400000000, 0.0004451700000000 ] - [ 0.0005317800000000, 0.0001003000000000, 0.0001923200000000 ] - [ 0.0003938300000000, 0.0003767600000000, 0.0001655500000000 ] - [ -0.0003603000000000, -0.0002283200000000, 0.0001336500000000 ] - [ -0.0005213300000000, 0.0000289000000000, 0.0001397600000000 ] - [ 0.0000936900000000, 0.0001291400000000, 0.0006055900000000 ] - [ -0.0000530700000000, -0.0001606800000000, -0.0006648300000000 ] - [ 0.0000048700000000, 0.0005333700000000, -0.0001814600000000 ] - [ -0.0000518300000000, -0.0007412300000000, 0.0000194500000000 ] - [ 0.0004068300000000, -0.0006170500000000, -0.0000530100000000 ] - [ 0.0009103100000000, 0.0001209300000000, 0.0004468600000000 ] - [ 0.0002380400000000, 0.0001229100000000, 0.0004878700000000 ] - [ 0.0000576400000000, 0.0000389400000000, -0.0007386100000000 ] - [ 0.0010269500000000, 0.0001178500000000, -0.0000658300000000 ] - [ 0.0005663300000000, -0.0002030900000000, -0.0000768100000000 ] - [ -0.0001051400000000, 0.0005028900000000, -0.0008877200000000 ] - [ -0.0007938700000000, 0.0001272100000000, -0.0000076400000000 ] - [ -0.0002836800000000, 0.0001152300000000, -0.0014344800000000 ] - [ -0.0006334600000000, -0.0027168000000000, -0.0011752700000000 ] - [ -0.0002214100000000, -0.0004192300000000, 0.0002571600000000 ] - [ -0.0001301500000000, 0.0007261100000000, -0.0000272300000000 ] - [ 0.0028213400000000, -0.0002731900000000, 0.0007950000000000 ] - [ 0.0005926100000000, 0.0001506500000000, 0.0006092600000000 ] - [ 0.0008500000000000, -0.0001936600000000, -0.0000691400000000 ] - [ 0.0032357800000000, 0.0006848700000000, 0.0000941100000000 ] - [ 0.0000362100000000, -0.0005072700000000, 0.0003010100000000 ] - [ 0.0004013800000000, -0.0000192100000000, -0.0001136000000000 ] - [ 0.0016192000000000, -0.0006352600000000, -0.0003971100000000 ] - [ 0.0031289900000000, -0.0010126800000000, -0.0037081200000000 ] - [ 0.0020621200000000, 0.0015456100000000, -0.0000754100000000 ] - [ 0.0004363400000000, -0.0000710700000000, -0.0008313700000000 ] - [ 0.0004441600000000, -0.0002013000000000, -0.0003185200000000 ] - [ -0.0002946800000000, 0.0001773900000000, 0.0002471200000000 ] - [ 0.0000469800000000, 0.0004427200000000, -0.0003333900000000 ] - [ -0.0000596000000000, -0.0000821000000000, 0.0001061800000000 ] - [ 0.0078466200000000, -0.0004366300000000, -0.0004398200000000 ] - [ -0.0003069700000000, -0.0003876000000000, 0.0009602100000000 ] - [ 0.0001545400000000, -0.0001063400000000, -0.0001152100000000 ] - [ 0.0004887800000000, 0.0001036500000000, 0.0002590500000000 ] - [ 0.0005222500000000, -0.0001771000000000, 0.0006450600000000 ] - [ -0.0006207700000000, -0.0002443400000000, 0.0004189500000000 ] - [ -0.0019470800000000, -0.0028124000000000, -0.0008460600000000 ] - [ -0.0015847500000000, 0.0005550000000000, -0.0024185200000000 ] - [ 0.0003117700000000, -0.0002182900000000, -0.0001328200000000 ] - [ -0.0003164800000000, -0.0005342800000000, 0.0002622500000000 ] - [ 0.0001518600000000, 0.0002293600000000, -0.0001733800000000 ] - [ -0.0005214700000000, -0.0004235900000000, 0.0010649200000000 ] - [ -0.0009318100000000, 0.0010062400000000, 0.0004489000000000 ] - [ -0.0007876200000000, -0.0001201200000000, 0.0000227900000000 ] - [ -0.0002958100000000, 0.0008297700000000, -0.0003857300000000 ] - [ -0.0004757100000000, 0.0003534200000000, -0.0005117900000000 ] - [ -0.0004813800000000, 0.0002497500000000, -0.0005736600000000 ] - [ -0.0007959700000000, 0.0001945800000000, -0.0003396000000000 ] - [ -0.0008268300000000, -0.0001913300000000, -0.0001649900000000 ] - [ -0.0004487500000000, 0.0004834600000000, 0.0004658800000000 ] - [ -0.0001104800000000, -0.0000911600000000, -0.0001317100000000 ] - [ -0.0006866900000000, 0.0008179200000000, 0.0002044400000000 ] - [ -0.0005812600000000, -0.0002801700000000, 0.0002101200000000 ] - [ -0.0008118500000000, 0.0005728500000000, -0.0001090600000000 ] - [ -0.0003575600000000, 0.0007841800000000, 0.0000180600000000 ] - [ -0.0009250200000000, -0.0004331500000000, -0.0009864300000000 ] - [ -0.0001072200000000, 0.0006433600000000, -0.0000411200000000 ] - [ -0.0008549400000000, -0.0003322200000000, 0.0001784300000000 ] - [ -0.0010540600000000, 0.0002267400000000, 0.0002168200000000 ] - [ -0.0002114200000000, -0.0000738300000000, 0.0000620000000000 ] - [ 0.0000313000000000, 0.0003021400000000, 0.0002982900000000 ] - [ -0.0005457200000000, 0.0000773400000000, -0.0000521700000000 ] - [ -0.0015023000000000, 0.0012530100000000, 0.0001110100000000 ] - [ -0.0000395500000000, 0.0007323000000000, 0.0005615300000000 ] - [ 0.0000154900000000, -0.0000424800000000, 0.0003636800000000 ] - [ -0.0009063300000000, -0.0000317500000000, -0.0001927600000000 ] - [ -0.0000352200000000, -0.0003653000000000, 0.0001755100000000 ] - [ -0.0017742400000000, 0.0002569900000000, 0.0021536100000000 ] - [ -0.0007099000000000, -0.0008457800000000, -0.0020846200000000 ] - [ -0.0023961000000000, -0.0017266800000000, 0.0007291400000000 ] - [ 0.0001013900000000, 0.0002338300000000, 0.0001647200000000 ] - [ 0.0005671400000000, -0.0007146300000000, -0.0001454400000000 ] - [ 0.0005650700000000, -0.0002755700000000, -0.0007630100000000 ] - [ -0.0010420500000000, -0.0002003800000000, -0.0001600200000000 ] - [ -0.0005279900000000, -0.0001865900000000, -0.0007672700000000 ] - [ 0.0000464300000000, -0.0001015800000000, -0.0003131700000000 ] - [ 0.0003908000000000, -0.0002995500000000, -0.0000459100000000 ] - [ -0.0001708000000000, 0.0004684100000000, -0.0001184600000000 ] - [ 0.0002001600000000, -0.0001400100000000, 0.0001211400000000 ] - [ 0.0115444500000000, -0.0023984600000000, -0.0019982300000000 ] - [ 0.0021189300000000, 0.0017741300000000, -0.0007101500000000 ] - [ 0.0005566700000000, -0.0008841500000000, 0.0031945400000000 ] - [ 0.0006693500000000, 0.0006308500000000, 0.0019486400000000 ] - [ 0.0001566200000000, -0.0004368000000000, 0.0003736900000000 ] - [ 0.0000192000000000, -0.0003272700000000, 0.0004940000000000 ] - [ 0.0004152800000000, -0.0001697800000000, 0.0006532100000000 ] - [ 0.0036074500000000, -0.0002567000000000, -0.0005532000000000 ] - [ 0.0010615300000000, -0.0006326500000000, -0.0007405700000000 ] - [ 0.0004837800000000, 0.0001674400000000, 0.0002812700000000 ] - [ 0.0004014700000000, -0.0009868600000000, 0.0000753600000000 ] - [ 0.0004587500000000, 0.0004096500000000, -0.0007139200000000 ] - [ -0.0005359200000000, -0.0006537300000000, 0.0000772300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0423211000000000, -0.0050658500000000, -0.0051468200000000 ] - [ -0.0001676100000000, -0.0000144500000000, -0.0004996200000000 ] - [ 0.0008110000000000, -0.0011457400000000, 0.0000674500000000 ] - [ 0.0005572900000000, 0.0004516700000000, 0.0002346400000000 ] - [ 0.0000592200000000, 0.0007011900000000, -0.0001712700000000 ] - [ -0.0010441600000000, -0.0018849100000000, 0.0011406900000000 ] - [ -0.0004372000000000, -0.0001832400000000, 0.0001439900000000 ] - [ 0.0000153200000000, -0.0003704800000000, 0.0003118500000000 ] - [ -0.0009171900000000, 0.0003622800000000, -0.0001608700000000 ] - [ -0.0001208500000000, 0.0001647300000000, 0.0004141100000000 ] - [ -0.0007418800000000, -0.0001032200000000, -0.0005158600000000 ] - [ -0.0003445000000000, 0.0004144900000000, -0.0000857300000000 ] - [ -0.0005530300000000, 0.0003165800000000, 0.0001081400000000 ] - [ -0.0004888300000000, -0.0000508400000000, 0.0004854500000000 ] - [ -0.0003142800000000, 0.0001422800000000, -0.0004070900000000 ] - [ 0.0000312800000000, 0.0002186200000000, 0.0001998100000000 ] - [ 0.0000585600000000, -0.0003144800000000, -0.0000016600000000 ] - [ -0.0007240800000000, -0.0014413700000000, -0.0008215100000000 ] - [ -0.0004054500000000, -0.0000417600000000, -0.0001652100000000 ] - [ -0.0000657500000000, 0.0006972100000000, -0.0003403800000000 ] - [ -0.0003700800000000, 0.0004932900000000, -0.0002885100000000 ] - [ 0.0006659900000000, -0.0008169800000000, -0.0000884100000000 ] - [ 0.0006616600000000, 0.0000381800000000, 0.0005481300000000 ] - [ -0.0000667100000000, -0.0004041700000000, 0.0000889300000000 ] - [ 0.0005670400000000, -0.0007714500000000, 0.0003049300000000 ] - [ 0.0006887700000000, -0.0006742200000000, 0.0008178500000000 ] - [ -0.0024393000000000, 0.0040472300000000, 0.0031184200000000 ] - [ -0.0006299100000000, -0.0003250200000000, -0.0002963300000000 ] - [ -0.0016906300000000, -0.0008709700000000, 0.0002404800000000 ] - [ -0.0009354700000000, 0.0007019900000000, 0.0002679400000000 ] - [ -0.0000789000000000, 0.0006582800000000, -0.0002710000000000 ] - [ -0.0006457100000000, -0.0007800300000000, -0.0000739700000000 ] - [ -0.0035577800000000, 0.0030349600000000, -0.0022809200000000 ] - [ -0.0005113800000000, 0.0002870700000000, 0.0003529800000000 ] - [ 0.0001353100000000, -0.0004388900000000, -0.0008352200000000 ] - [ 0.0032522400000000, 0.0004529900000000, -0.0006379500000000 ] - [ 0.0043455300000000, 0.0011697400000000, -0.0018118700000000 ] - [ 0.0008861800000000, 0.0005865700000000, 0.0002626700000000 ] - [ -0.0081785200000000, -0.0034845100000000, -0.0114723900000000 ] - [ -0.0000725600000000, -0.0004158100000000, 0.0003461800000000 ] - [ -0.0000507100000000, 0.0000738900000000, 0.0016274400000000 ] - [ 0.0002495000000000, -0.0005205300000000, -0.0004609700000000 ] - [ -0.0021701400000000, -0.0000153600000000, 0.0000750900000000 ] - [ -0.0004923600000000, -0.0004119900000000, 0.0004781800000000 ] - [ -0.0020026100000000, 0.0003303500000000, -0.0007637900000000 ] - [ -0.0004678900000000, -0.0000875000000000, -0.0004454600000000 ] - [ -0.0008241800000000, -0.0011502600000000, -0.0017222600000000 ] - [ -0.0003827400000000, 0.0002238200000000, -0.0002737500000000 ] - [ -0.0061662300000000, -0.0040475200000000, 0.0075040700000000 ] - [ 0.0007299100000000, 0.0002766000000000, 0.0005136700000000 ] - [ 0.0035236000000000, 0.0014571000000000, 0.0001134100000000 ] - [ 0.0010859100000000, 0.0003382000000000, -0.0002107700000000 ] - [ 0.0007832600000000, 0.0013013000000000, 0.0016842000000000 ] - [ 0.0002071400000000, -0.0005733400000000, 0.0021043800000000 ] - [ 0.0001899700000000, -0.0000484100000000, -0.0006585800000000 ] - [ 0.0002297500000000, 0.0002313700000000, 0.0010063300000000 ] - [ 0.0009208400000000, -0.0000546800000000, 0.0000011600000000 ] - [ 0.0005181000000000, 0.0000888300000000, 0.0001246000000000 ] - [ -0.0005536300000000, -0.0002375400000000, 0.0001550000000000 ] - [ -0.0009314100000000, -0.0000731900000000, 0.0000539300000000 ] - [ -0.0000481700000000, 0.0000643000000000, 0.0008464300000000 ] - [ -0.0004127700000000, 0.0004487400000000, -0.0002497000000000 ] - [ -0.0002946800000000, 0.0003803700000000, -0.0002845000000000 ] - [ -0.0001421000000000, -0.0007115400000000, 0.0000260900000000 ] - [ -0.0002122900000000, -0.0008349600000000, 0.0000083600000000 ] - [ -0.0006211700000000, 0.0007931700000000, 0.0000194700000000 ] - [ 0.0002286000000000, 0.0001666200000000, 0.0004251200000000 ] - [ -0.0001025600000000, 0.0001550600000000, -0.0007138600000000 ] - [ 0.0004255400000000, -0.0001629900000000, -0.0001279600000000 ] - [ 0.0003479200000000, -0.0002633800000000, -0.0002125600000000 ] - [ -0.0008095800000000, -0.0000370200000000, 0.0006001300000000 ] - [ -0.0006565400000000, -0.0000809900000000, -0.0001859600000000 ] - [ 0.0003297400000000, -0.0003089900000000, -0.0000177400000000 ] - [ 0.0001738800000000, 0.0024400400000000, 0.0020968100000000 ] - [ -0.0000671200000000, -0.0004948300000000, 0.0002090500000000 ] - [ -0.0000628500000000, 0.0007270200000000, -0.0000179200000000 ] - [ -0.0015325500000000, -0.0009686300000000, -0.0009573000000000 ] - [ -0.0008235300000000, 0.0004475400000000, 0.0004573500000000 ] - [ -0.0002510100000000, -0.0008855400000000, 0.0003034900000000 ] - [ -0.0035212500000000, -0.0003912700000000, -0.0003764800000000 ] - [ -0.0007968600000000, -0.0002863700000000, -0.0000767400000000 ] - [ -0.0003253200000000, 0.0000952100000000, 0.0000382700000000 ] - [ -0.0008194300000000, 0.0004101800000000, -0.0003645000000000 ] - [ -0.0025398100000000, 0.0005256500000000, 0.0026590700000000 ] - [ -0.0018316100000000, -0.0023110900000000, -0.0007256200000000 ] - [ -0.0002590400000000, -0.0012211100000000, -0.0004098500000000 ] - [ -0.0000629700000000, 0.0002231300000000, -0.0004285500000000 ] - [ -0.0007733000000000, 0.0000335600000000, 0.0003382300000000 ] - [ -0.0000119800000000, 0.0003114600000000, -0.0000346500000000 ] - [ -0.0003249900000000, -0.0003059300000000, -0.0004950700000000 ] - [ -0.0066664700000000, 0.0014268400000000, 0.0010783900000000 ] - [ -0.0004340100000000, 0.0000107700000000, -0.0009825200000000 ] - [ 0.0001500700000000, -0.0001963600000000, -0.0001884800000000 ] - [ 0.0005664400000000, 0.0004419400000000, 0.0002303100000000 ] - [ 0.0007217200000000, 0.0003537200000000, 0.0006443700000000 ] - [ -0.0006193400000000, 0.0000682400000000, 0.0008690400000000 ] - [ 0.0008754500000000, 0.0022537000000000, 0.0013202400000000 ] - [ 0.0012812100000000, -0.0002548200000000, 0.0021121600000000 ] - [ 0.0004333500000000, 0.0006064400000000, 0.0001185800000000 ] - [ -0.0001809600000000, -0.0005058600000000, 0.0002752400000000 ] - [ 0.0002398500000000, 0.0001617800000000, -0.0002169900000000 ] - [ 0.0005062300000000, -0.0003201700000000, -0.0014476100000000 ] - [ 0.0020137700000000, -0.0012456500000000, 0.0001550700000000 ] - [ 0.0004021000000000, 0.0001036600000000, -0.0007663900000000 ] - [ 0.0001199300000000, 0.0004580100000000, -0.0008541100000000 ] - [ 0.0002409400000000, 0.0004031600000000, -0.0002745000000000 ] - [ -0.0000716500000000, 0.0002307600000000, -0.0004952000000000 ] - [ -0.0000072800000000, 0.0000200600000000, -0.0004251900000000 ] - [ 0.0007535600000000, 0.0001162300000000, 0.0000912500000000 ] - [ 0.0012191800000000, 0.0003175600000000, -0.0002565900000000 ] - [ 0.0003881700000000, -0.0001864500000000, -0.0001467200000000 ] - [ 0.0000822300000000, 0.0002669600000000, 0.0000393000000000 ] - [ 0.0008235700000000, -0.0003249900000000, 0.0008701900000000 ] - [ -0.0004794700000000, 0.0006697300000000, -0.0000678000000000 ] - [ 0.0016483600000000, 0.0004573900000000, 0.0001572300000000 ] - [ 0.0006880100000000, -0.0001673400000000, -0.0000946100000000 ] - [ 0.0007109100000000, 0.0004367500000000, -0.0001984500000000 ] - [ 0.0005767900000000, 0.0000536900000000, 0.0001015500000000 ] - [ 0.0002897700000000, 0.0005749700000000, -0.0004353600000000 ] - [ 0.0002879500000000, -0.0000018000000000, 0.0000143900000000 ] - [ 0.0007730600000000, -0.0000950000000000, 0.0004713500000000 ] - [ 0.0011030400000000, 0.0004063700000000, 0.0011228800000000 ] - [ 0.0017262100000000, -0.0004925500000000, 0.0006803900000000 ] - [ 0.0002158900000000, 0.0005531800000000, 0.0006792800000000 ] - [ 0.0003724100000000, 0.0000294300000000, 0.0003802600000000 ] - [ -0.0001675800000000, -0.0001936000000000, -0.0004019100000000 ] - [ 0.0000608300000000, -0.0003827500000000, 0.0002025300000000 ] - [ 0.0013830200000000, 0.0001307500000000, -0.0017558800000000 ] - [ 0.0012076300000000, -0.0002050600000000, 0.0015529500000000 ] - [ 0.0016574100000000, 0.0021123600000000, -0.0007195200000000 ] - [ 0.0002013900000000, 0.0000688700000000, 0.0001369500000000 ] - [ 0.0004950500000000, 0.0001651700000000, -0.0003384800000000 ] - [ 0.0006747200000000, 0.0000981100000000, -0.0005227700000000 ] - [ -0.0001975400000000, 0.0003765800000000, -0.0011303000000000 ] - [ -0.0005328900000000, 0.0007407300000000, 0.0002818000000000 ] - [ -0.0003523200000000, -0.0002005200000000, 0.0006194400000000 ] - [ 0.0003553400000000, -0.0000817800000000, 0.0000688100000000 ] - [ -0.0003207400000000, 0.0005844700000000, -0.0004278400000000 ] - [ 0.0001875200000000, -0.0002484400000000, 0.0002668300000000 ] - [ -0.0123589200000000, 0.0033578300000000, 0.0026713600000000 ] - [ -0.0010623900000000, -0.0015581400000000, 0.0001172400000000 ] - [ -0.0009460500000000, 0.0009093800000000, -0.0024603400000000 ] - [ -0.0008499200000000, -0.0019249300000000, -0.0007112900000000 ] - [ -0.0003810500000000, -0.0003253900000000, 0.0004191700000000 ] - [ -0.0005666700000000, -0.0001616200000000, 0.0005631500000000 ] - [ -0.0012144900000000, -0.0000513900000000, 0.0001091200000000 ] - [ -0.0036920500000000, 0.0002937600000000, 0.0006230800000000 ] - [ -0.0002981400000000, -0.0001678800000000, 0.0005136800000000 ] - [ -0.0002030800000000, 0.0001126700000000, -0.0000007800000000 ] - [ -0.0010058600000000, -0.0000790200000000, -0.0003067400000000 ] - [ -0.0002256700000000, 0.0001871000000000, -0.0003675000000000 ] - [ -0.0007515200000000, -0.0005870900000000, 0.0000994100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0048291400000000, -0.0197372500000000, -0.0030707800000000 ] - [ -0.0003190900000000, 0.0010584600000000, -0.0005932300000000 ] - [ 0.0008901600000000, 0.0012340800000000, 0.0023723300000000 ] - [ 0.0002172600000000, 0.0004275100000000, 0.0006176600000000 ] - [ 0.0000260700000000, 0.0003322200000000, 0.0003282900000000 ] - [ 0.0023673600000000, 0.0000483500000000, -0.0001105000000000 ] - [ -0.0003438000000000, 0.0000029200000000, 0.0002281900000000 ] - [ -0.0003861600000000, 0.0000711000000000, 0.0003481900000000 ] - [ -0.0008450000000000, -0.0002891500000000, -0.0001261000000000 ] - [ 0.0000967900000000, 0.0002260900000000, 0.0003511500000000 ] - [ 0.0002687000000000, -0.0001753000000000, -0.0004899500000000 ] - [ -0.0002350800000000, 0.0005025600000000, -0.0000794900000000 ] - [ 0.0001370700000000, 0.0001942600000000, 0.0000532800000000 ] - [ -0.0002969000000000, 0.0001390400000000, 0.0004937600000000 ] - [ -0.0000267600000000, 0.0002581400000000, -0.0003446900000000 ] - [ 0.0001618100000000, -0.0001990600000000, 0.0001126100000000 ] - [ 0.0000167100000000, -0.0006669400000000, -0.0002407800000000 ] - [ 0.0020541100000000, -0.0001240800000000, 0.0000923800000000 ] - [ -0.0003509800000000, 0.0001536500000000, -0.0002355100000000 ] - [ -0.0004460600000000, 0.0012285300000000, -0.0002752700000000 ] - [ -0.0008372900000000, 0.0002727900000000, -0.0006045100000000 ] - [ 0.0007648800000000, 0.0008981700000000, -0.0020519400000000 ] - [ 0.0003073800000000, -0.0002947500000000, 0.0006170000000000 ] - [ -0.0002251300000000, -0.0001404000000000, 0.0000445000000000 ] - [ 0.0008911200000000, 0.0021874100000000, 0.0006611200000000 ] - [ 0.0013480800000000, -0.0005709300000000, -0.0004730400000000 ] - [ -0.0026718200000000, -0.0003292200000000, -0.0000187900000000 ] - [ -0.0006841900000000, -0.0001021000000000, -0.0003032300000000 ] - [ -0.0002275700000000, 0.0004021400000000, 0.0007738400000000 ] - [ -0.0002147200000000, 0.0003532900000000, 0.0003934200000000 ] - [ 0.0001917500000000, 0.0009688700000000, -0.0002938700000000 ] - [ 0.0004146500000000, 0.0001195200000000, -0.0006755700000000 ] - [ -0.0021934200000000, -0.0014387700000000, -0.0001134700000000 ] - [ -0.0006770400000000, 0.0005934700000000, 0.0002088800000000 ] - [ 0.0003927000000000, -0.0003918500000000, 0.0007154600000000 ] - [ -0.0007026000000000, -0.0019422600000000, -0.0004168900000000 ] - [ -0.0041526900000000, 0.0105990700000000, 0.0060907200000000 ] - [ 0.0000072300000000, -0.0000134200000000, 0.0005077200000000 ] - [ 0.0013865700000000, -0.0034069000000000, -0.0019523800000000 ] - [ -0.0000080500000000, 0.0008043700000000, 0.0005528500000000 ] - [ 0.0006608200000000, -0.0012563200000000, 0.0003518000000000 ] - [ 0.0004975500000000, 0.0003481600000000, -0.0003889800000000 ] - [ -0.0008430100000000, 0.0002056700000000, 0.0002284000000000 ] - [ 0.0003377800000000, -0.0003834900000000, 0.0003034000000000 ] - [ -0.0006303200000000, -0.0000294600000000, -0.0005881100000000 ] - [ 0.0001786000000000, -0.0003825500000000, -0.0001267500000000 ] - [ -0.0000647800000000, -0.0018322400000000, 0.0003102000000000 ] - [ -0.0002488300000000, 0.0011607500000000, -0.0003769700000000 ] - [ 0.0016007400000000, -0.0041708000000000, 0.0009193400000000 ] - [ 0.0007953900000000, 0.0013775500000000, 0.0003248400000000 ] - [ -0.0045055900000000, 0.0090471400000000, -0.0061597000000000 ] - [ 0.0002434700000000, 0.0004951500000000, -0.0001678400000000 ] - [ -0.0004332500000000, -0.0002702300000000, 0.0034662500000000 ] - [ 0.0003649700000000, -0.0016198600000000, -0.0019879200000000 ] - [ 0.0001640500000000, 0.0003823300000000, -0.0009733700000000 ] - [ -0.0004556300000000, 0.0003383800000000, 0.0003189700000000 ] - [ 0.0008560600000000, -0.0000509800000000, 0.0000682600000000 ] - [ 0.0006837800000000, 0.0007379300000000, 0.0004340800000000 ] - [ -0.0004063900000000, -0.0002831800000000, 0.0002027800000000 ] - [ -0.0005586200000000, -0.0000506600000000, 0.0001748900000000 ] - [ 0.0000031100000000, 0.0000511600000000, 0.0008200600000000 ] - [ -0.0003173400000000, 0.0000934700000000, -0.0004087200000000 ] - [ -0.0001037500000000, 0.0005240300000000, -0.0002194300000000 ] - [ -0.0001182300000000, -0.0006479000000000, 0.0000240300000000 ] - [ -0.0000195500000000, -0.0009748200000000, 0.0000365300000000 ] - [ 0.0002496500000000, 0.0002994400000000, 0.0002654700000000 ] - [ 0.0002472400000000, 0.0002568000000000, 0.0003899200000000 ] - [ -0.0001205700000000, 0.0001462000000000, -0.0007887300000000 ] - [ 0.0007792100000000, -0.0000517800000000, -0.0000747400000000 ] - [ 0.0006664400000000, -0.0001506800000000, 0.0001400900000000 ] - [ -0.0003232500000000, 0.0002939200000000, -0.0003732800000000 ] - [ -0.0000437100000000, 0.0006210000000000, -0.0001324600000000 ] - [ 0.0001137900000000, -0.0004115100000000, 0.0000031600000000 ] - [ -0.0019491700000000, 0.0001167400000000, 0.0014234100000000 ] - [ -0.0002126600000000, -0.0003110500000000, 0.0003004300000000 ] - [ -0.0000796400000000, 0.0009279500000000, -0.0000774500000000 ] - [ 0.0008087900000000, 0.0028670700000000, -0.0001299000000000 ] - [ -0.0001094200000000, -0.0006995300000000, 0.0032752300000000 ] - [ 0.0003693700000000, -0.0000478500000000, -0.0000961100000000 ] - [ 0.0010554900000000, 0.0016475300000000, 0.0009881000000000 ] - [ -0.0004437800000000, -0.0002154700000000, 0.0003387600000000 ] - [ -0.0000150400000000, -0.0001102000000000, -0.0002235500000000 ] - [ 0.0017882800000000, -0.0033984100000000, 0.0001779200000000 ] - [ -0.0005515100000000, 0.0024940800000000, -0.0009167100000000 ] - [ 0.0021920600000000, -0.0012273400000000, -0.0025704900000000 ] - [ 0.0006920500000000, -0.0014208600000000, 0.0005067300000000 ] - [ -0.0001340900000000, -0.0009229200000000, -0.0007138600000000 ] - [ -0.0003874500000000, 0.0000741000000000, 0.0002431300000000 ] - [ 0.0001893700000000, -0.0003357800000000, -0.0001822900000000 ] - [ -0.0000922800000000, 0.0003268400000000, -0.0002662100000000 ] - [ -0.0001966800000000, 0.0038430100000000, 0.0013549300000000 ] - [ -0.0007594500000000, 0.0008615500000000, 0.0005125600000000 ] - [ 0.0003014400000000, -0.0006844800000000, -0.0003307700000000 ] - [ 0.0001677400000000, -0.0002033600000000, 0.0003640200000000 ] - [ 0.0001092500000000, -0.0004760900000000, 0.0005186000000000 ] - [ -0.0007633000000000, 0.0000208800000000, 0.0005964700000000 ] - [ -0.0010313800000000, 0.0007075700000000, 0.0001699100000000 ] - [ -0.0004967500000000, 0.0008062000000000, 0.0000892300000000 ] - [ 0.0003621100000000, -0.0001282100000000, -0.0000611900000000 ] - [ -0.0002370600000000, -0.0007519800000000, 0.0003721700000000 ] - [ 0.0001937700000000, -0.0003003500000000, -0.0001097400000000 ] - [ 0.0001414400000000, 0.0003375500000000, -0.0006923300000000 ] - [ 0.0013227500000000, -0.0003259500000000, 0.0003966100000000 ] - [ -0.0002908100000000, 0.0002933400000000, -0.0004128900000000 ] - [ 0.0000276300000000, 0.0006741300000000, -0.0007568800000000 ] - [ -0.0000464800000000, 0.0003384700000000, -0.0003385200000000 ] - [ -0.0002790200000000, 0.0000513100000000, -0.0005308000000000 ] - [ -0.0003574500000000, 0.0002318700000000, -0.0004049200000000 ] - [ -0.0000355600000000, 0.0000413500000000, 0.0000879600000000 ] - [ 0.0003524000000000, 0.0002649700000000, 0.0000051300000000 ] - [ 0.0001768300000000, -0.0001705800000000, -0.0001760000000000 ] - [ -0.0002013500000000, 0.0001330200000000, 0.0000002300000000 ] - [ 0.0000961200000000, -0.0002775100000000, 0.0004139300000000 ] - [ -0.0006549100000000, 0.0004907400000000, -0.0000902700000000 ] - [ 0.0006575000000000, 0.0009520800000000, 0.0000674400000000 ] - [ 0.0000716200000000, -0.0003594100000000, -0.0003524800000000 ] - [ 0.0003199200000000, 0.0006981000000000, -0.0001968900000000 ] - [ -0.0001190400000000, -0.0001409200000000, 0.0001077800000000 ] - [ -0.0004195000000000, 0.0004497000000000, -0.0000897800000000 ] - [ 0.0000115500000000, -0.0000516400000000, 0.0000191800000000 ] - [ 0.0005537900000000, -0.0002086500000000, 0.0005210000000000 ] - [ 0.0001992200000000, 0.0005109400000000, 0.0005227200000000 ] - [ 0.0007317000000000, 0.0003456700000000, 0.0003532500000000 ] - [ 0.0001969200000000, 0.0005612100000000, 0.0007621500000000 ] - [ 0.0001687100000000, -0.0003685500000000, 0.0001739500000000 ] - [ -0.0004373600000000, -0.0001164800000000, -0.0003733900000000 ] - [ 0.0000362200000000, -0.0006584700000000, 0.0001827800000000 ] - [ -0.0000174400000000, 0.0007962500000000, -0.0003706800000000 ] - [ 0.0002858900000000, 0.0004144800000000, 0.0002241100000000 ] - [ -0.0004099300000000, 0.0015043200000000, 0.0001685800000000 ] - [ 0.0001061700000000, -0.0003119500000000, 0.0000245600000000 ] - [ 0.0003935100000000, -0.0006371400000000, -0.0001435400000000 ] - [ -0.0001143200000000, -0.0007483800000000, -0.0007785400000000 ] - [ -0.0007955300000000, 0.0001327700000000, -0.0005010400000000 ] - [ -0.0011195600000000, 0.0010248400000000, -0.0006857000000000 ] - [ -0.0000930700000000, 0.0003084000000000, 0.0001781700000000 ] - [ 0.0000947400000000, -0.0007611800000000, -0.0000862000000000 ] - [ -0.0002867200000000, 0.0001951800000000, -0.0000984800000000 ] - [ 0.0003707100000000, -0.0008240200000000, 0.0004069400000000 ] - [ -0.0033130800000000, 0.0040092300000000, 0.0004937800000000 ] - [ 0.0027693300000000, -0.0008892600000000, 0.0007388500000000 ] - [ -0.0013613000000000, 0.0013396500000000, 0.0010104700000000 ] - [ 0.0008256800000000, -0.0006513400000000, -0.0004401800000000 ] - [ 0.0000198700000000, -0.0005667800000000, 0.0004671300000000 ] - [ -0.0005560700000000, -0.0010369200000000, 0.0006556300000000 ] - [ -0.0004435400000000, 0.0002350200000000, 0.0000009800000000 ] - [ 0.0006123800000000, -0.0005375500000000, -0.0014056600000000 ] - [ -0.0003368100000000, -0.0024338700000000, -0.0027454700000000 ] - [ 0.0001444000000000, 0.0001012900000000, 0.0002853600000000 ] - [ 0.0004524600000000, -0.0043589600000000, -0.0002437100000000 ] - [ 0.0002107400000000, 0.0004401300000000, -0.0011166500000000 ] - [ -0.0006063800000000, -0.0009663900000000, 0.0001001800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0042852700000000, 0.0188205400000000, 0.0030123600000000 ] - [ -0.0002772200000000, -0.0009665900000000, -0.0004095100000000 ] - [ -0.0010324700000000, -0.0016939300000000, -0.0015243100000000 ] - [ 0.0007846000000000, 0.0001704500000000, -0.0005320100000000 ] - [ 0.0000657500000000, 0.0006691500000000, 0.0002684200000000 ] - [ -0.0015291300000000, 0.0000973300000000, 0.0005803800000000 ] - [ -0.0004843200000000, -0.0001556600000000, 0.0002435500000000 ] - [ 0.0002974200000000, -0.0010717800000000, 0.0002498100000000 ] - [ -0.0001533000000000, -0.0003043300000000, 0.0002166500000000 ] - [ 0.0000551900000000, 0.0002431300000000, 0.0004781100000000 ] - [ 0.0003273600000000, 0.0000831900000000, -0.0005117400000000 ] - [ -0.0002340800000000, 0.0003252200000000, -0.0000738600000000 ] - [ 0.0003318400000000, 0.0006340800000000, 0.0001001800000000 ] - [ -0.0002998000000000, -0.0002306000000000, 0.0005062900000000 ] - [ -0.0001258000000000, 0.0002127800000000, -0.0004850900000000 ] - [ 0.0008370100000000, -0.0004006500000000, -0.0002015300000000 ] - [ 0.0000747900000000, -0.0003336700000000, -0.0003586400000000 ] - [ -0.0012314100000000, -0.0000229100000000, -0.0005647200000000 ] - [ -0.0004779400000000, 0.0000000400000000, -0.0002366600000000 ] - [ 0.0003522400000000, -0.0002262000000000, -0.0003232800000000 ] - [ -0.0001640800000000, 0.0003236600000000, 0.0005126100000000 ] - [ -0.0006192700000000, -0.0013736600000000, 0.0012333000000000 ] - [ 0.0002903500000000, 0.0003864800000000, 0.0003880800000000 ] - [ -0.0002449600000000, -0.0006875200000000, 0.0001089300000000 ] - [ -0.0004688300000000, -0.0032956900000000, -0.0000189700000000 ] - [ -0.0007048400000000, 0.0001413200000000, 0.0015754700000000 ] - [ 0.0037904300000000, 0.0009908700000000, -0.0003969000000000 ] - [ -0.0004211500000000, -0.0005332400000000, -0.0001210200000000 ] - [ -0.0004108800000000, 0.0000178300000000, 0.0003316400000000 ] - [ -0.0002100600000000, 0.0007526000000000, 0.0002456000000000 ] - [ 0.0002331500000000, 0.0001386500000000, -0.0003438200000000 ] - [ 0.0002219000000000, 0.0003084300000000, -0.0004311900000000 ] - [ 0.0032935300000000, 0.0007772100000000, 0.0005479900000000 ] - [ -0.0004304900000000, 0.0000427800000000, 0.0002161300000000 ] - [ -0.0010345400000000, -0.0000291200000000, -0.0018267100000000 ] - [ 0.0002864200000000, 0.0008392500000000, -0.0002395300000000 ] - [ 0.0034688100000000, -0.0100235400000000, -0.0054523200000000 ] - [ 0.0005412000000000, 0.0005661500000000, 0.0000368500000000 ] - [ -0.0023438800000000, 0.0042948500000000, 0.0010119100000000 ] - [ -0.0004866900000000, -0.0013063900000000, -0.0000458200000000 ] - [ -0.0001621900000000, 0.0017571000000000, 0.0001522900000000 ] - [ 0.0004160400000000, -0.0012606500000000, -0.0005267400000000 ] - [ 0.0002951500000000, -0.0007501400000000, 0.0003189700000000 ] - [ 0.0003290500000000, -0.0002829700000000, 0.0003659900000000 ] - [ -0.0000384800000000, -0.0006417800000000, -0.0000790800000000 ] - [ 0.0003689800000000, -0.0001670500000000, -0.0004204300000000 ] - [ -0.0008462800000000, 0.0009267300000000, 0.0006050800000000 ] - [ -0.0002549100000000, -0.0006598000000000, -0.0001278300000000 ] - [ -0.0010756100000000, 0.0036935100000000, -0.0014434500000000 ] - [ 0.0001109200000000, -0.0004640400000000, 0.0005922800000000 ] - [ 0.0039662200000000, -0.0084262800000000, 0.0055822000000000 ] - [ 0.0004237700000000, 0.0001695100000000, -0.0005036500000000 ] - [ 0.0006235700000000, 0.0017559000000000, -0.0034239900000000 ] - [ -0.0000822700000000, 0.0006887300000000, 0.0015352100000000 ] - [ 0.0003018800000000, -0.0006732000000000, 0.0000628200000000 ] - [ 0.0004143300000000, -0.0005351300000000, 0.0011368400000000 ] - [ 0.0005983900000000, 0.0000950100000000, 0.0001236100000000 ] - [ 0.0002308900000000, -0.0002713500000000, -0.0001450800000000 ] - [ -0.0005075400000000, -0.0001828500000000, 0.0000856900000000 ] - [ -0.0008928200000000, 0.0000054400000000, 0.0000188300000000 ] - [ 0.0000414600000000, 0.0001419200000000, 0.0006332200000000 ] - [ -0.0001485500000000, 0.0001964400000000, -0.0005048600000000 ] - [ -0.0001847200000000, 0.0003901400000000, -0.0002465300000000 ] - [ -0.0000744800000000, -0.0008059200000000, 0.0000207300000000 ] - [ 0.0002123400000000, -0.0004803200000000, -0.0000806300000000 ] - [ 0.0000396600000000, 0.0006151900000000, 0.0002007400000000 ] - [ 0.0002187900000000, 0.0000313000000000, 0.0005238700000000 ] - [ 0.0000753100000000, 0.0000463700000000, -0.0006655100000000 ] - [ 0.0006756700000000, 0.0000078300000000, -0.0001174900000000 ] - [ 0.0002466200000000, -0.0003152600000000, -0.0004295900000000 ] - [ -0.0005897600000000, 0.0001731600000000, 0.0000828100000000 ] - [ -0.0014125400000000, -0.0005772300000000, -0.0000596100000000 ] - [ -0.0000677900000000, 0.0002153500000000, -0.0014527200000000 ] - [ 0.0014636600000000, -0.0004155000000000, -0.0005034600000000 ] - [ -0.0000763200000000, -0.0006027600000000, 0.0001653900000000 ] - [ -0.0001134700000000, 0.0005258500000000, 0.0000322800000000 ] - [ 0.0004646300000000, -0.0041060100000000, -0.0000324400000000 ] - [ -0.0001098900000000, 0.0012847200000000, -0.0021722400000000 ] - [ 0.0002173800000000, -0.0010440100000000, 0.0003112500000000 ] - [ -0.0012830300000000, -0.0009431700000000, -0.0013562000000000 ] - [ -0.0003262200000000, -0.0005617000000000, -0.0001156400000000 ] - [ 0.0000735200000000, 0.0001708200000000, 0.0001644700000000 ] - [ -0.0010106300000000, 0.0031810300000000, -0.0009454500000000 ] - [ 0.0011236400000000, -0.0029891200000000, -0.0001006000000000 ] - [ -0.0019804700000000, 0.0004605800000000, 0.0018147800000000 ] - [ -0.0005212100000000, 0.0001431500000000, -0.0017556000000000 ] - [ 0.0005052800000000, 0.0009638800000000, -0.0000320700000000 ] - [ -0.0006922800000000, 0.0001219400000000, 0.0003332100000000 ] - [ -0.0001373900000000, 0.0010862500000000, -0.0001843000000000 ] - [ -0.0002794300000000, -0.0007017500000000, -0.0001079900000000 ] - [ 0.0006902500000000, -0.0027973500000000, -0.0007950600000000 ] - [ 0.0000205900000000, -0.0012317600000000, -0.0005538700000000 ] - [ 0.0000130800000000, 0.0003694700000000, 0.0000158000000000 ] - [ 0.0008758400000000, 0.0007683100000000, 0.0001410400000000 ] - [ 0.0011286800000000, 0.0006535000000000, 0.0007592800000000 ] - [ -0.0004777600000000, -0.0001950100000000, 0.0006841800000000 ] - [ -0.0000091000000000, -0.0012550600000000, 0.0003337300000000 ] - [ 0.0001870900000000, -0.0004937400000000, -0.0003971500000000 ] - [ 0.0003788700000000, 0.0005082100000000, 0.0000204800000000 ] - [ -0.0002790900000000, -0.0002736800000000, 0.0001808200000000 ] - [ 0.0001774700000000, 0.0006751600000000, -0.0002645600000000 ] - [ -0.0001864800000000, -0.0010830100000000, 0.0003155300000000 ] - [ -0.0002360100000000, 0.0001102400000000, 0.0001883900000000 ] - [ -0.0000832300000000, -0.0003351000000000, -0.0003312700000000 ] - [ -0.0002043700000000, 0.0006040500000000, -0.0004851100000000 ] - [ -0.0001919200000000, 0.0004231700000000, -0.0004279900000000 ] - [ -0.0002811800000000, 0.0004572700000000, -0.0005076600000000 ] - [ -0.0004193200000000, -0.0000073800000000, -0.0003622500000000 ] - [ -0.0000215200000000, -0.0000958800000000, -0.0001464200000000 ] - [ 0.0004156600000000, 0.0005157400000000, 0.0002175600000000 ] - [ 0.0001152500000000, -0.0001196900000000, -0.0001159500000000 ] - [ -0.0003840800000000, 0.0009533300000000, 0.0002105000000000 ] - [ 0.0001213100000000, -0.0003091900000000, 0.0006768900000000 ] - [ -0.0006268600000000, 0.0007518900000000, -0.0000862500000000 ] - [ 0.0006226200000000, 0.0002897500000000, 0.0001074600000000 ] - [ -0.0002850400000000, -0.0002280200000000, -0.0007368600000000 ] - [ 0.0002674900000000, 0.0003916200000000, -0.0000157800000000 ] - [ -0.0001745900000000, -0.0001546700000000, 0.0001860500000000 ] - [ -0.0003484300000000, 0.0003252200000000, -0.0001366400000000 ] - [ 0.0000470300000000, -0.0000079600000000, 0.0000399000000000 ] - [ 0.0002218200000000, 0.0004367600000000, 0.0002453900000000 ] - [ 0.0003609600000000, -0.0000047200000000, 0.0005153600000000 ] - [ -0.0005074400000000, 0.0004263000000000, 0.0004221000000000 ] - [ -0.0000202800000000, 0.0007215300000000, 0.0004800500000000 ] - [ 0.0002040300000000, 0.0003258600000000, 0.0005721000000000 ] - [ -0.0006436800000000, -0.0000842300000000, -0.0002060100000000 ] - [ 0.0000139800000000, -0.0000882900000000, 0.0001847000000000 ] - [ -0.0003614500000000, -0.0004213700000000, 0.0007531800000000 ] - [ 0.0002188100000000, -0.0014536000000000, -0.0007883100000000 ] - [ -0.0003361600000000, -0.0011393700000000, -0.0001264700000000 ] - [ 0.0002112700000000, 0.0006270100000000, 0.0002898900000000 ] - [ 0.0006476400000000, 0.0000748700000000, -0.0003643300000000 ] - [ 0.0013590500000000, 0.0005719500000000, -0.0005026400000000 ] - [ -0.0004470400000000, 0.0000414000000000, -0.0007790700000000 ] - [ 0.0000797300000000, -0.0004683100000000, 0.0001796300000000 ] - [ -0.0002242000000000, -0.0006242300000000, 0.0001375100000000 ] - [ 0.0006495800000000, 0.0003850200000000, 0.0001278900000000 ] - [ -0.0002255700000000, 0.0008351800000000, -0.0004576900000000 ] - [ 0.0000053000000000, 0.0004489800000000, -0.0000310000000000 ] - [ 0.0032588000000000, -0.0032923200000000, -0.0001142800000000 ] - [ -0.0016642600000000, 0.0010992000000000, -0.0013181100000000 ] - [ 0.0009867400000000, -0.0013066100000000, -0.0002621300000000 ] - [ -0.0009924100000000, -0.0006206400000000, 0.0016763400000000 ] - [ -0.0002541900000000, -0.0001957500000000, 0.0003033900000000 ] - [ -0.0000011300000000, 0.0005312400000000, 0.0003839500000000 ] - [ -0.0003336200000000, -0.0004568000000000, 0.0007665400000000 ] - [ -0.0007538400000000, 0.0002618700000000, 0.0014304300000000 ] - [ 0.0011087200000000, 0.0016615600000000, 0.0025265900000000 ] - [ 0.0001484700000000, 0.0001890200000000, 0.0000065000000000 ] - [ -0.0010420700000000, 0.0032688000000000, 0.0000303400000000 ] - [ 0.0000045100000000, 0.0001454000000000, 0.0000293700000000 ] - [ -0.0006747800000000, -0.0002755100000000, 0.0000779500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0049927900000000, -0.0034671500000000, -0.0258931400000000 ] - [ -0.0002975100000000, 0.0000006600000000, -0.0003473400000000 ] - [ 0.0002886000000000, 0.0017385900000000, 0.0003884100000000 ] - [ 0.0003295700000000, 0.0006130600000000, 0.0005001300000000 ] - [ 0.0002425000000000, 0.0003558600000000, 0.0010574300000000 ] - [ -0.0005491400000000, -0.0002884200000000, -0.0006500900000000 ] - [ -0.0003638400000000, 0.0000090600000000, 0.0004749600000000 ] - [ -0.0002315400000000, -0.0003829600000000, 0.0001473200000000 ] - [ -0.0003241500000000, -0.0006490400000000, -0.0000975500000000 ] - [ -0.0000581100000000, 0.0001178100000000, 0.0004917300000000 ] - [ 0.0004091300000000, -0.0000162100000000, -0.0003463500000000 ] - [ -0.0002439100000000, 0.0004159400000000, 0.0000353200000000 ] - [ 0.0002663700000000, 0.0003901100000000, -0.0002109400000000 ] - [ -0.0003012600000000, -0.0000266400000000, 0.0004203500000000 ] - [ 0.0000087200000000, 0.0003421600000000, -0.0003343400000000 ] - [ 0.0002529000000000, -0.0000372200000000, -0.0001045000000000 ] - [ -0.0001032000000000, -0.0004269400000000, 0.0002665000000000 ] - [ 0.0011079600000000, 0.0002279500000000, -0.0008216200000000 ] - [ -0.0004351200000000, -0.0000587100000000, -0.0000397400000000 ] - [ 0.0001413400000000, 0.0004167300000000, -0.0004751900000000 ] - [ -0.0002470100000000, -0.0000716300000000, 0.0003609800000000 ] - [ -0.0002280700000000, -0.0015984400000000, -0.0004670400000000 ] - [ 0.0003909200000000, 0.0001298200000000, 0.0022851600000000 ] - [ -0.0002479400000000, -0.0003814900000000, 0.0001352500000000 ] - [ 0.0002103400000000, -0.0004830600000000, -0.0004386200000000 ] - [ 0.0002648200000000, -0.0010725900000000, 0.0016954500000000 ] - [ -0.0014394600000000, 0.0000437400000000, -0.0021645600000000 ] - [ -0.0004924700000000, -0.0004415600000000, 0.0000573700000000 ] - [ 0.0002421500000000, 0.0009600900000000, 0.0006398000000000 ] - [ -0.0003224900000000, 0.0006123400000000, 0.0009681200000000 ] - [ 0.0002246900000000, 0.0005847300000000, -0.0004388100000000 ] - [ -0.0000375200000000, -0.0003221300000000, -0.0004889600000000 ] - [ 0.0019010900000000, -0.0003301400000000, -0.0022141000000000 ] - [ -0.0006434900000000, 0.0004996400000000, 0.0005017800000000 ] - [ -0.0002523500000000, 0.0003323800000000, 0.0001186000000000 ] - [ -0.0014157800000000, -0.0007341500000000, 0.0049721600000000 ] - [ 0.0009877500000000, 0.0045621300000000, -0.0011737400000000 ] - [ 0.0002723700000000, -0.0007643300000000, 0.0020717400000000 ] - [ 0.0111951800000000, 0.0002612200000000, -0.0028616300000000 ] - [ -0.0004205000000000, -0.0001928800000000, -0.0001421900000000 ] - [ -0.0022223300000000, 0.0011123600000000, 0.0014105100000000 ] - [ 0.0001148300000000, -0.0006546500000000, -0.0001010400000000 ] - [ -0.0004487200000000, -0.0002260900000000, -0.0003059300000000 ] - [ 0.0001426700000000, -0.0004339300000000, 0.0009855900000000 ] - [ -0.0002533900000000, -0.0003384700000000, -0.0010077400000000 ] - [ 0.0001589000000000, -0.0002760600000000, 0.0003665900000000 ] - [ 0.0011049300000000, -0.0002938700000000, 0.0012554200000000 ] - [ 0.0000200100000000, 0.0003202600000000, 0.0000720500000000 ] - [ -0.0058411100000000, -0.0000325600000000, 0.0000068300000000 ] - [ 0.0007122000000000, 0.0003471600000000, 0.0002585300000000 ] - [ 0.0002820600000000, -0.0034528100000000, -0.0001847100000000 ] - [ 0.0009883600000000, 0.0009563300000000, 0.0016754100000000 ] - [ -0.0019874100000000, 0.0049100100000000, 0.0034521700000000 ] - [ -0.0030083000000000, -0.0026751500000000, 0.0035882300000000 ] - [ 0.0002435400000000, -0.0002809200000000, -0.0001905500000000 ] - [ -0.0001566200000000, -0.0004098900000000, 0.0000655800000000 ] - [ 0.0006437000000000, 0.0000666500000000, 0.0003652200000000 ] - [ 0.0004027600000000, 0.0001873900000000, -0.0000267800000000 ] - [ -0.0002701700000000, -0.0003784200000000, 0.0004866700000000 ] - [ -0.0008581500000000, 0.0000537700000000, -0.0000096400000000 ] - [ -0.0000477100000000, 0.0000629500000000, 0.0009502400000000 ] - [ -0.0003529100000000, 0.0003167200000000, -0.0003679000000000 ] - [ -0.0001052900000000, 0.0004929200000000, -0.0002045400000000 ] - [ -0.0000980000000000, -0.0007368800000000, 0.0000293400000000 ] - [ 0.0001209200000000, -0.0005483600000000, -0.0001682900000000 ] - [ -0.0001198000000000, 0.0005439400000000, 0.0000698500000000 ] - [ 0.0002273600000000, 0.0001186000000000, 0.0005417100000000 ] - [ 0.0000418800000000, 0.0000487200000000, -0.0007886200000000 ] - [ 0.0005172900000000, -0.0000885100000000, -0.0001142400000000 ] - [ 0.0005158800000000, -0.0002025400000000, -0.0001024500000000 ] - [ -0.0010241700000000, -0.0001406400000000, 0.0008651600000000 ] - [ -0.0004944500000000, 0.0001046000000000, -0.0001856000000000 ] - [ -0.0001694200000000, -0.0000284800000000, -0.0002591800000000 ] - [ -0.0011955900000000, 0.0009517600000000, 0.0005560600000000 ] - [ -0.0002021400000000, -0.0004255900000000, 0.0003142600000000 ] - [ -0.0000311700000000, 0.0008511700000000, 0.0000877500000000 ] - [ 0.0011265000000000, -0.0008029900000000, 0.0053553600000000 ] - [ -0.0000664000000000, 0.0009332500000000, 0.0005564700000000 ] - [ 0.0002381800000000, 0.0005653000000000, -0.0013706900000000 ] - [ -0.0001187400000000, 0.0011155900000000, 0.0023598100000000 ] - [ -0.0007366800000000, -0.0001476100000000, -0.0011316000000000 ] - [ -0.0000286200000000, -0.0002311100000000, -0.0006126100000000 ] - [ 0.0005977100000000, -0.0008734000000000, 0.0006105100000000 ] - [ -0.0036119700000000, -0.0006789000000000, -0.0010942900000000 ] - [ 0.0010392700000000, -0.0033874900000000, 0.0003991600000000 ] - [ -0.0000111100000000, 0.0000968500000000, -0.0005271200000000 ] - [ 0.0003913700000000, -0.0001167400000000, 0.0000319600000000 ] - [ -0.0006769200000000, 0.0002944600000000, -0.0001318500000000 ] - [ -0.0000554000000000, 0.0005392500000000, -0.0002555200000000 ] - [ 0.0005848900000000, -0.0004176900000000, -0.0010376400000000 ] - [ -0.0000494000000000, 0.0013014600000000, 0.0049406900000000 ] - [ 0.0019223400000000, 0.0005626300000000, -0.0013819600000000 ] - [ 0.0003219500000000, -0.0002474100000000, -0.0003174300000000 ] - [ 0.0007189500000000, 0.0005863700000000, -0.0000051900000000 ] - [ 0.0008230700000000, 0.0001054800000000, 0.0008616700000000 ] - [ -0.0008288300000000, -0.0000919100000000, 0.0000640900000000 ] - [ -0.0020337000000000, -0.0014781000000000, 0.0012216500000000 ] - [ -0.0018355700000000, 0.0008936600000000, 0.0001515700000000 ] - [ 0.0004161600000000, -0.0001091600000000, -0.0000009600000000 ] - [ -0.0001909200000000, -0.0003727900000000, -0.0000769800000000 ] - [ 0.0001953700000000, 0.0002070400000000, -0.0000151700000000 ] - [ 0.0004668700000000, -0.0006251800000000, 0.0001456500000000 ] - [ 0.0008090000000000, -0.0001029200000000, 0.0007027900000000 ] - [ 0.0005102700000000, 0.0000535700000000, -0.0010981000000000 ] - [ 0.0000719600000000, 0.0005293100000000, -0.0008472700000000 ] - [ -0.0001075000000000, 0.0004721800000000, -0.0005817300000000 ] - [ -0.0001572700000000, 0.0002773600000000, -0.0005442100000000 ] - [ -0.0003178800000000, -0.0000241600000000, -0.0008432900000000 ] - [ 0.0001020400000000, 0.0000546400000000, 0.0003080100000000 ] - [ 0.0002498100000000, 0.0002431600000000, 0.0005381300000000 ] - [ 0.0002338800000000, -0.0002075900000000, -0.0004042000000000 ] - [ -0.0002755900000000, 0.0005797700000000, 0.0002642300000000 ] - [ -0.0000096800000000, -0.0004364200000000, 0.0002021300000000 ] - [ -0.0006621500000000, 0.0005980600000000, -0.0001236200000000 ] - [ 0.0007125300000000, 0.0004768700000000, 0.0004300700000000 ] - [ 0.0001072400000000, -0.0001765200000000, -0.0001225300000000 ] - [ 0.0003860900000000, 0.0006852600000000, -0.0005358100000000 ] - [ -0.0001747200000000, -0.0002035000000000, 0.0004107700000000 ] - [ -0.0001568400000000, 0.0006142600000000, -0.0004047300000000 ] - [ 0.0000426700000000, 0.0000335100000000, -0.0002147300000000 ] - [ 0.0002689100000000, 0.0000307300000000, 0.0006214300000000 ] - [ -0.0001419400000000, 0.0001932900000000, 0.0002396700000000 ] - [ 0.0002101800000000, 0.0001353500000000, 0.0008923100000000 ] - [ 0.0000007600000000, 0.0007406300000000, 0.0005568900000000 ] - [ 0.0000806300000000, -0.0000687800000000, 0.0003163100000000 ] - [ -0.0004680600000000, -0.0002106600000000, -0.0005400300000000 ] - [ -0.0000379600000000, -0.0004729000000000, -0.0001008100000000 ] - [ 0.0005706500000000, -0.0001819300000000, 0.0000490100000000 ] - [ -0.0005306600000000, -0.0003734200000000, -0.0000251700000000 ] - [ 0.0006048900000000, 0.0010255200000000, 0.0005251700000000 ] - [ 0.0001486600000000, 0.0001120800000000, 0.0003102300000000 ] - [ 0.0004802100000000, 0.0000585500000000, -0.0002132000000000 ] - [ 0.0003774600000000, -0.0001693500000000, -0.0005428500000000 ] - [ -0.0000497100000000, 0.0003238100000000, -0.0014468300000000 ] - [ -0.0010436800000000, 0.0000491700000000, -0.0006105700000000 ] - [ -0.0008347300000000, -0.0001416000000000, -0.0004486600000000 ] - [ 0.0003005200000000, -0.0003216000000000, -0.0002178400000000 ] - [ -0.0002656000000000, 0.0004986200000000, -0.0003299800000000 ] - [ 0.0000305500000000, -0.0001080500000000, 0.0000038200000000 ] - [ -0.0030871000000000, 0.0005967900000000, 0.0039145700000000 ] - [ -0.0001387300000000, 0.0007556700000000, 0.0001728000000000 ] - [ 0.0025930600000000, 0.0004640400000000, -0.0012366800000000 ] - [ 0.0005276900000000, -0.0013360400000000, 0.0004262200000000 ] - [ -0.0000364400000000, -0.0006545200000000, -0.0001637500000000 ] - [ -0.0004960700000000, -0.0002098100000000, 0.0008346200000000 ] - [ -0.0003642500000000, -0.0010773400000000, -0.0009557100000000 ] - [ -0.0003939000000000, -0.0008629100000000, 0.0029948100000000 ] - [ -0.0000336600000000, -0.0006332900000000, 0.0000533900000000 ] - [ 0.0000600600000000, 0.0004027200000000, -0.0003675300000000 ] - [ -0.0003991400000000, 0.0002099600000000, 0.0001396400000000 ] - [ 0.0003382200000000, 0.0001606700000000, -0.0018732000000000 ] - [ -0.0006578100000000, -0.0007129400000000, -0.0001176300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0046222300000000, 0.0026136000000000, 0.0263679600000000 ] - [ -0.0002992100000000, 0.0000909000000000, -0.0006521600000000 ] - [ -0.0004377400000000, -0.0021989200000000, 0.0004371400000000 ] - [ 0.0006713500000000, -0.0000165800000000, -0.0004107900000000 ] - [ -0.0001498200000000, 0.0006441400000000, -0.0004574700000000 ] - [ 0.0013741400000000, 0.0004378600000000, 0.0011273300000000 ] - [ -0.0004642000000000, -0.0001610800000000, -0.0000032600000000 ] - [ 0.0001404000000000, -0.0006177200000000, 0.0004514000000000 ] - [ -0.0006760800000000, 0.0000516500000000, 0.0001848200000000 ] - [ 0.0002106700000000, 0.0003529600000000, 0.0003383300000000 ] - [ 0.0001888700000000, -0.0000750700000000, -0.0006558500000000 ] - [ -0.0002254900000000, 0.0004117400000000, -0.0001885000000000 ] - [ 0.0002021700000000, 0.0004380200000000, 0.0003653500000000 ] - [ -0.0002957600000000, -0.0000647000000000, 0.0005789300000000 ] - [ -0.0001614900000000, 0.0001266700000000, -0.0004947100000000 ] - [ 0.0007474800000000, -0.0005605600000000, 0.0000132100000000 ] - [ 0.0001931200000000, -0.0005728100000000, -0.0008655700000000 ] - [ -0.0002753500000000, -0.0003785800000000, 0.0003543800000000 ] - [ -0.0003939400000000, 0.0002105200000000, -0.0004322200000000 ] - [ -0.0002321300000000, 0.0005840000000000, -0.0001237400000000 ] - [ -0.0007542100000000, 0.0006710400000000, -0.0004493800000000 ] - [ 0.0003786600000000, 0.0011214000000000, -0.0003673600000000 ] - [ 0.0002073300000000, -0.0000389800000000, -0.0012856600000000 ] - [ -0.0002218900000000, -0.0004466100000000, 0.0000168400000000 ] - [ 0.0002126400000000, -0.0006236700000000, 0.0010721000000000 ] - [ 0.0003715000000000, 0.0006549500000000, -0.0005882000000000 ] - [ 0.0025412900000000, 0.0006003400000000, 0.0017570300000000 ] - [ -0.0006133100000000, -0.0001968500000000, -0.0004830800000000 ] - [ -0.0008790400000000, -0.0005360800000000, 0.0004656500000000 ] - [ -0.0001010100000000, 0.0004933200000000, -0.0003306400000000 ] - [ 0.0001997700000000, 0.0005225300000000, -0.0001990300000000 ] - [ 0.0006745300000000, 0.0007454900000000, -0.0006196500000000 ] - [ -0.0007860200000000, -0.0003117300000000, 0.0026538300000000 ] - [ -0.0004645200000000, 0.0001391900000000, -0.0000778800000000 ] - [ -0.0003854600000000, -0.0007602600000000, -0.0012221900000000 ] - [ 0.0009946300000000, -0.0003687900000000, -0.0055638700000000 ] - [ -0.0016800400000000, -0.0038841500000000, 0.0018800400000000 ] - [ 0.0002765300000000, 0.0013041100000000, -0.0015225700000000 ] - [ -0.0120433300000000, 0.0006435700000000, 0.0019046700000000 ] - [ -0.0000815900000000, -0.0003100100000000, 0.0006395300000000 ] - [ 0.0027320000000000, -0.0006182800000000, -0.0009114500000000 ] - [ 0.0007980300000000, -0.0002542100000000, -0.0008078500000000 ] - [ -0.0000988100000000, -0.0003179400000000, 0.0008492900000000 ] - [ 0.0005254400000000, -0.0002364900000000, -0.0003172900000000 ] - [ -0.0004142100000000, -0.0003310500000000, 0.0003396400000000 ] - [ 0.0003860100000000, -0.0002687300000000, -0.0009121300000000 ] - [ -0.0020226200000000, -0.0006182500000000, -0.0003440800000000 ] - [ -0.0005219600000000, 0.0001807600000000, -0.0005702100000000 ] - [ 0.0063006900000000, -0.0004432100000000, -0.0005568700000000 ] - [ 0.0001996700000000, 0.0005650200000000, 0.0006505400000000 ] - [ -0.0008138300000000, 0.0039996000000000, -0.0003321600000000 ] - [ -0.0003170300000000, -0.0002813900000000, -0.0023413700000000 ] - [ 0.0021991500000000, -0.0034909300000000, -0.0034591900000000 ] - [ 0.0033189200000000, 0.0017718200000000, -0.0041109000000000 ] - [ 0.0002223500000000, -0.0000080800000000, -0.0007227900000000 ] - [ 0.0001109500000000, 0.0002176300000000, 0.0013840800000000 ] - [ 0.0008108800000000, -0.0000221900000000, -0.0001726700000000 ] - [ 0.0005103300000000, 0.0002775400000000, 0.0003148000000000 ] - [ -0.0006436500000000, -0.0000875600000000, -0.0001980500000000 ] - [ -0.0005962200000000, -0.0000980100000000, 0.0002018600000000 ] - [ 0.0000921700000000, 0.0001293800000000, 0.0005038800000000 ] - [ -0.0001130400000000, -0.0000285700000000, -0.0005460300000000 ] - [ -0.0001837200000000, 0.0004205700000000, -0.0002618700000000 ] - [ -0.0000945900000000, -0.0007173900000000, 0.0000146800000000 ] - [ 0.0000726800000000, -0.0009049700000000, 0.0001236600000000 ] - [ 0.0004095700000000, 0.0003699500000000, 0.0003961000000000 ] - [ 0.0002386500000000, 0.0001707000000000, 0.0003718700000000 ] - [ -0.0000863200000000, 0.0001443800000000, -0.0006647700000000 ] - [ 0.0009350800000000, 0.0000439000000000, -0.0000792500000000 ] - [ 0.0003984600000000, -0.0002636600000000, -0.0001857100000000 ] - [ 0.0001069700000000, 0.0006047200000000, -0.0011480900000000 ] - [ -0.0009581100000000, -0.0000592900000000, -0.0000066500000000 ] - [ 0.0002110100000000, -0.0001619700000000, -0.0011946500000000 ] - [ 0.0007212700000000, -0.0012433100000000, 0.0003466200000000 ] - [ -0.0000866500000000, -0.0004886700000000, 0.0001519000000000 ] - [ -0.0001609900000000, 0.0006039900000000, -0.0001318400000000 ] - [ 0.0002025500000000, -0.0004651100000000, -0.0061896900000000 ] - [ -0.0001378000000000, -0.0003534900000000, 0.0005172300000000 ] - [ 0.0003486100000000, -0.0016501800000000, 0.0015825600000000 ] - [ -0.0001745400000000, -0.0008306000000000, -0.0026610600000000 ] - [ -0.0000284500000000, -0.0006269700000000, 0.0013603300000000 ] - [ 0.0000869800000000, 0.0002883400000000, 0.0005541900000000 ] - [ 0.0001926200000000, 0.0006451500000000, -0.0013785500000000 ] - [ 0.0042264400000000, 0.0002041700000000, 0.0002126200000000 ] - [ -0.0008130300000000, 0.0026387400000000, -0.0011910400000000 ] - [ 0.0001857700000000, -0.0013723100000000, -0.0007108600000000 ] - [ -0.0000119100000000, 0.0001516300000000, -0.0007724600000000 ] - [ -0.0004141900000000, -0.0000777100000000, 0.0007187300000000 ] - [ 0.0000926900000000, 0.0002061100000000, -0.0001173700000000 ] - [ -0.0009575100000000, 0.0000471600000000, 0.0006653400000000 ] - [ 0.0005270100000000, -0.0002555900000000, -0.0043726600000000 ] - [ -0.0026789800000000, -0.0009340500000000, 0.0013435300000000 ] - [ -0.0000074300000000, -0.0000673200000000, 0.0000026600000000 ] - [ 0.0003118700000000, -0.0000322200000000, 0.0005168900000000 ] - [ 0.0004203900000000, 0.0000725800000000, 0.0004169000000000 ] - [ -0.0004135200000000, -0.0000839700000000, 0.0012152500000000 ] - [ 0.0009968600000000, 0.0009245700000000, -0.0007018000000000 ] - [ 0.0015173700000000, -0.0005802400000000, -0.0004557500000000 ] - [ 0.0003309500000000, 0.0004775500000000, -0.0000428300000000 ] - [ -0.0003151300000000, -0.0006681200000000, 0.0006383100000000 ] - [ 0.0001787700000000, 0.0001667700000000, -0.0003585600000000 ] - [ -0.0005068000000000, -0.0001172000000000, -0.0005226100000000 ] - [ 0.0002815200000000, -0.0001116600000000, -0.0001193500000000 ] - [ -0.0008890000000000, -0.0000913400000000, 0.0003550800000000 ] - [ -0.0002482800000000, 0.0007497400000000, -0.0003940300000000 ] - [ -0.0001164900000000, 0.0002955300000000, -0.0001967400000000 ] - [ -0.0004009100000000, 0.0002329700000000, -0.0004897600000000 ] - [ -0.0004612600000000, 0.0002484800000000, 0.0000763400000000 ] - [ -0.0001638000000000, -0.0001153500000000, -0.0003714500000000 ] - [ 0.0005133100000000, 0.0005310800000000, -0.0003058600000000 ] - [ 0.0000543500000000, -0.0000804500000000, 0.0001162100000000 ] - [ -0.0003080500000000, 0.0005041200000000, -0.0000564000000000 ] - [ 0.0002159000000000, -0.0001461200000000, 0.0008838000000000 ] - [ -0.0006156300000000, 0.0006421800000000, -0.0000517400000000 ] - [ 0.0005632200000000, 0.0007631700000000, -0.0002549900000000 ] - [ -0.0003229300000000, -0.0004118100000000, -0.0009675700000000 ] - [ 0.0002013200000000, 0.0004027000000000, 0.0003214600000000 ] - [ -0.0001146500000000, -0.0000862100000000, -0.0001217700000000 ] - [ -0.0006102500000000, 0.0001652200000000, 0.0001819800000000 ] - [ 0.0000166500000000, -0.0000918100000000, 0.0002736700000000 ] - [ 0.0005071600000000, 0.0001998800000000, 0.0001423900000000 ] - [ 0.0007038700000000, 0.0003132700000000, 0.0007987000000000 ] - [ 0.0000122500000000, 0.0006327200000000, -0.0001124300000000 ] - [ 0.0001757000000000, 0.0005356800000000, 0.0006831500000000 ] - [ 0.0002895000000000, 0.0000272500000000, 0.0004284900000000 ] - [ -0.0006181800000000, -0.0000037700000000, -0.0000479300000000 ] - [ 0.0000758200000000, -0.0002713700000000, 0.0004742100000000 ] - [ -0.0009428000000000, 0.0005512600000000, 0.0003357400000000 ] - [ 0.0010413400000000, -0.0006675100000000, -0.0005403400000000 ] - [ -0.0013490300000000, -0.0006570100000000, -0.0004795000000000 ] - [ 0.0001644100000000, 0.0002002200000000, 0.0000027700000000 ] - [ 0.0005589100000000, -0.0006189100000000, -0.0002935000000000 ] - [ 0.0008613800000000, -0.0000084100000000, -0.0007357300000000 ] - [ -0.0011866700000000, -0.0001472300000000, 0.0001669600000000 ] - [ 0.0000048800000000, 0.0005146100000000, 0.0001028400000000 ] - [ 0.0005247700000000, -0.0001708500000000, 0.0007617400000000 ] - [ 0.0004428000000000, -0.0000534000000000, 0.0002528800000000 ] - [ -0.0002425400000000, 0.0005393400000000, -0.0002297700000000 ] - [ 0.0003410400000000, -0.0002643600000000, 0.0003667400000000 ] - [ 0.0030055600000000, 0.0001538000000000, -0.0035472500000000 ] - [ 0.0012213200000000, -0.0005429800000000, -0.0007681300000000 ] - [ -0.0029377200000000, -0.0004263400000000, 0.0019747000000000 ] - [ -0.0006968400000000, 0.0000600900000000, 0.0008206200000000 ] - [ -0.0001861000000000, -0.0001152000000000, 0.0009411200000000 ] - [ -0.0000688500000000, -0.0002965000000000, 0.0002097000000000 ] - [ -0.0004166200000000, 0.0008494200000000, 0.0017201700000000 ] - [ 0.0003379000000000, 0.0009222000000000, -0.0029471800000000 ] - [ 0.0008003500000000, -0.0001517700000000, -0.0002893200000000 ] - [ 0.0002298800000000, -0.0001102300000000, 0.0006573000000000 ] - [ -0.0001942300000000, -0.0012929100000000, -0.0003596900000000 ] - [ -0.0001225400000000, 0.0004289200000000, 0.0007813100000000 ] - [ -0.0006211000000000, -0.0005287100000000, 0.0002932700000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001035400000000, -0.0004341000000000, -0.0000756200000000 ] - [ -0.0199426300000000, 0.0009655600000000, -0.0007683200000000 ] - [ -0.0002525700000000, -0.0002750500000000, 0.0003890500000000 ] - [ 0.0004272900000000, 0.0022143500000000, -0.0003786500000000 ] - [ 0.0000372600000000, 0.0005286400000000, 0.0002369300000000 ] - [ 0.0003862200000000, -0.0002974900000000, 0.0004299200000000 ] - [ -0.0004066600000000, -0.0004259600000000, -0.0004279300000000 ] - [ 0.0013870300000000, 0.0004320100000000, 0.0022195600000000 ] - [ -0.0004451300000000, -0.0002253000000000, 0.0000364600000000 ] - [ 0.0008326800000000, -0.0002376600000000, 0.0004441900000000 ] - [ 0.0003863200000000, -0.0000484000000000, -0.0005185900000000 ] - [ 0.0008077500000000, 0.0003838500000000, -0.0001862900000000 ] - [ 0.0004239600000000, 0.0004121300000000, 0.0000787500000000 ] - [ -0.0000274700000000, -0.0000343600000000, 0.0004831100000000 ] - [ 0.0004903000000000, -0.0000637900000000, -0.0003549200000000 ] - [ 0.0006047100000000, -0.0002365700000000, -0.0000408700000000 ] - [ 0.0000742400000000, -0.0004585700000000, -0.0002260600000000 ] - [ 0.0005434000000000, -0.0003886900000000, -0.0003881300000000 ] - [ -0.0003119400000000, -0.0001857000000000, 0.0002811300000000 ] - [ 0.0010136300000000, 0.0011785700000000, -0.0018950200000000 ] - [ -0.0004947200000000, 0.0018970000000000, 0.0001803500000000 ] - [ -0.0000770700000000, -0.0002467700000000, -0.0004642400000000 ] - [ 0.0000774800000000, -0.0000442200000000, 0.0005215400000000 ] - [ -0.0005975900000000, -0.0004214200000000, 0.0001691300000000 ] - [ -0.0011778300000000, -0.0010306100000000, 0.0002972300000000 ] - [ -0.0011398900000000, -0.0034709200000000, 0.0004198100000000 ] - [ 0.0003963300000000, 0.0004265100000000, -0.0001022100000000 ] - [ -0.0008093000000000, 0.0007427400000000, -0.0014840300000000 ] - [ -0.0001274400000000, 0.0000343000000000, 0.0006131800000000 ] - [ 0.0002064300000000, 0.0005295400000000, 0.0003684600000000 ] - [ 0.0030121700000000, 0.0012553900000000, 0.0000429000000000 ] - [ 0.0006290700000000, 0.0001312000000000, -0.0006008800000000 ] - [ 0.0007938200000000, -0.0001661000000000, -0.0000490400000000 ] - [ -0.0008038000000000, 0.0010096500000000, 0.0013216000000000 ] - [ -0.0009131600000000, -0.0030764500000000, -0.0002048600000000 ] - [ -0.0004119900000000, -0.0005413000000000, -0.0003452400000000 ] - [ -0.0043879000000000, 0.0010292400000000, -0.0012699000000000 ] - [ -0.0011314300000000, 0.0003864800000000, 0.0004919300000000 ] - [ -0.0006699000000000, 0.0003955300000000, -0.0004229700000000 ] - [ -0.0002741100000000, -0.0004369500000000, 0.0003054100000000 ] - [ 0.0005383900000000, -0.0000710700000000, 0.0001427100000000 ] - [ 0.0103764300000000, -0.0044949600000000, -0.0067801200000000 ] - [ 0.0006439300000000, 0.0000650200000000, 0.0003239300000000 ] - [ 0.0011689700000000, -0.0002435400000000, 0.0004887000000000 ] - [ 0.0007018100000000, -0.0001632500000000, -0.0006441400000000 ] - [ 0.0011956100000000, -0.0002893300000000, -0.0003367800000000 ] - [ 0.0000853800000000, -0.0009760400000000, 0.0006119300000000 ] - [ 0.0090290100000000, -0.0036242300000000, 0.0050885900000000 ] - [ 0.0003029200000000, -0.0002560000000000, -0.0003777500000000 ] - [ 0.0004343500000000, 0.0001935700000000, 0.0005887800000000 ] - [ -0.0036984000000000, 0.0030682300000000, 0.0000393900000000 ] - [ -0.0012389300000000, 0.0010457800000000, -0.0003025400000000 ] - [ -0.0000145800000000, 0.0007550000000000, -0.0000020500000000 ] - [ -0.0000687500000000, -0.0005731800000000, -0.0001382200000000 ] - [ 0.0001510500000000, -0.0000601500000000, -0.0005106700000000 ] - [ 0.0000218500000000, -0.0000139500000000, 0.0008979500000000 ] - [ 0.0005975400000000, -0.0000588100000000, 0.0000734100000000 ] - [ 0.0001053600000000, 0.0001583800000000, 0.0007719000000000 ] - [ -0.0003885200000000, -0.0003509400000000, 0.0001176800000000 ] - [ 0.0000485200000000, -0.0000835000000000, 0.0002352200000000 ] - [ 0.0001330500000000, 0.0002015100000000, 0.0004732100000000 ] - [ -0.0002152300000000, 0.0002806400000000, -0.0003149600000000 ] - [ -0.0000459800000000, 0.0004705000000000, -0.0002993700000000 ] - [ -0.0000134900000000, -0.0007333400000000, -0.0000430400000000 ] - [ 0.0001397800000000, -0.0007021600000000, -0.0000323800000000 ] - [ 0.0002140700000000, 0.0004258600000000, 0.0002365300000000 ] - [ 0.0007811600000000, 0.0006840500000000, 0.0003881600000000 ] - [ 0.0004854700000000, 0.0001814900000000, -0.0010290300000000 ] - [ 0.0008561700000000, -0.0000150000000000, -0.0000514200000000 ] - [ 0.0008190700000000, -0.0005449400000000, -0.0003136600000000 ] - [ -0.0005002200000000, 0.0002184200000000, -0.0001279600000000 ] - [ -0.0003835100000000, -0.0012120500000000, -0.0007129400000000 ] - [ -0.0000162900000000, -0.0000671000000000, -0.0007729100000000 ] - [ -0.0002450900000000, -0.0001327500000000, 0.0004273600000000 ] - [ -0.0005796700000000, -0.0007460300000000, 0.0030957100000000 ] - [ -0.0004112200000000, 0.0012589800000000, 0.0015978900000000 ] - [ 0.0008984400000000, -0.0005590100000000, -0.0001375200000000 ] - [ 0.0031418100000000, 0.0005505100000000, -0.0005290600000000 ] - [ 0.0005589400000000, -0.0005710500000000, 0.0000892500000000 ] - [ 0.0005644500000000, -0.0003556000000000, -0.0001472300000000 ] - [ 0.0004123500000000, -0.0003327000000000, 0.0006093100000000 ] - [ 0.0005910400000000, 0.0000420700000000, -0.0000361500000000 ] - [ 0.0017984900000000, -0.0012118900000000, -0.0008678000000000 ] - [ 0.0004805600000000, -0.0002505000000000, -0.0005589600000000 ] - [ 0.0015018700000000, -0.0003270800000000, -0.0005713700000000 ] - [ 0.0001756500000000, -0.0007741500000000, -0.0007102000000000 ] - [ 0.0007495200000000, -0.0000061300000000, -0.0005219800000000 ] - [ 0.0002532500000000, -0.0004432000000000, 0.0006051600000000 ] - [ 0.0002339600000000, 0.0003725700000000, 0.0001350000000000 ] - [ -0.0001216800000000, -0.0002026300000000, -0.0001216400000000 ] - [ 0.0003505100000000, 0.0005174000000000, 0.0002361300000000 ] - [ -0.0003001400000000, 0.0003704900000000, -0.0001691800000000 ] - [ 0.0003541800000000, 0.0009377300000000, 0.0014250000000000 ] - [ -0.0007647700000000, 0.0026653300000000, 0.0016531700000000 ] - [ -0.0002007400000000, 0.0006860600000000, -0.0003542100000000 ] - [ -0.0005777900000000, 0.0001165200000000, 0.0007357200000000 ] - [ -0.0004694300000000, -0.0001325700000000, 0.0001968600000000 ] - [ -0.0001461100000000, 0.0001510200000000, -0.0001374100000000 ] - [ 0.0002979400000000, 0.0003071700000000, 0.0001162500000000 ] - [ -0.0015139700000000, -0.0006587100000000, 0.0031686100000000 ] - [ 0.0001185200000000, 0.0001503500000000, -0.0003763400000000 ] - [ -0.0000549600000000, -0.0003702900000000, -0.0003546700000000 ] - [ 0.0001852900000000, -0.0003004600000000, 0.0001484300000000 ] - [ -0.0004647800000000, 0.0001806700000000, -0.0002965700000000 ] - [ -0.0005710100000000, 0.0001854400000000, -0.0005410800000000 ] - [ -0.0006425100000000, 0.0000459100000000, -0.0003168500000000 ] - [ -0.0041213700000000, 0.0011850400000000, -0.0007638200000000 ] - [ -0.0006811600000000, 0.0000836700000000, -0.0002377000000000 ] - [ -0.0005141000000000, -0.0000390100000000, -0.0001298500000000 ] - [ -0.0003668300000000, 0.0005785700000000, 0.0001684200000000 ] - [ -0.0004757800000000, 0.0000504500000000, 0.0000652900000000 ] - [ -0.0010623300000000, 0.0003039500000000, -0.0000131900000000 ] - [ -0.0001384500000000, -0.0002379500000000, 0.0004893800000000 ] - [ -0.0008843800000000, 0.0006169500000000, 0.0000098800000000 ] - [ 0.0005374900000000, 0.0006281100000000, 0.0000942000000000 ] - [ -0.0003851600000000, -0.0003538300000000, -0.0006717100000000 ] - [ 0.0000635800000000, 0.0005574000000000, -0.0000831800000000 ] - [ -0.0006227500000000, -0.0001716300000000, 0.0002888200000000 ] - [ -0.0006833600000000, 0.0003529000000000, -0.0000661000000000 ] - [ -0.0005477500000000, 0.0001058700000000, -0.0001694800000000 ] - [ -0.0005433000000000, -0.0001374500000000, 0.0006807600000000 ] - [ -0.0001985800000000, 0.0003270300000000, 0.0003540600000000 ] - [ -0.0002665800000000, 0.0004324700000000, 0.0004259300000000 ] - [ -0.0008338800000000, 0.0001378600000000, 0.0007839500000000 ] - [ -0.0030664700000000, 0.0012910700000000, 0.0009103800000000 ] - [ -0.0011169600000000, -0.0004564200000000, -0.0004622100000000 ] - [ -0.0018662400000000, -0.0010367400000000, -0.0023659600000000 ] - [ -0.0002428100000000, 0.0001950200000000, 0.0002148300000000 ] - [ 0.0000879100000000, -0.0004168700000000, -0.0001603600000000 ] - [ -0.0004666000000000, 0.0002302900000000, 0.0000901700000000 ] - [ 0.0000370900000000, 0.0001524700000000, 0.0002963300000000 ] - [ 0.0004126600000000, -0.0001079700000000, -0.0002871400000000 ] - [ 0.0002584600000000, 0.0007959300000000, -0.0001773500000000 ] - [ -0.0006861300000000, 0.0001673600000000, -0.0007326200000000 ] - [ -0.0008357900000000, 0.0010664300000000, -0.0002524000000000 ] - [ -0.0001523600000000, -0.0001342200000000, 0.0000671900000000 ] - [ -0.0003582800000000, 0.0017315100000000, -0.0018503900000000 ] - [ -0.0001639200000000, 0.0006154300000000, -0.0007372100000000 ] - [ 0.0014300100000000, 0.0007286900000000, -0.0007782500000000 ] - [ -0.0000344200000000, 0.0003141900000000, 0.0003169000000000 ] - [ 0.0012123900000000, -0.0005162200000000, -0.0001421800000000 ] - [ -0.0001074400000000, 0.0000405100000000, 0.0004223900000000 ] - [ -0.0000255200000000, -0.0006873300000000, 0.0006978700000000 ] - [ 0.0006958200000000, -0.0010705700000000, -0.0003295400000000 ] - [ 0.0000430100000000, -0.0001518900000000, 0.0005151900000000 ] - [ -0.0000937000000000, -0.0002930000000000, 0.0003695300000000 ] - [ 0.0005452200000000, 0.0002824600000000, 0.0007027700000000 ] - [ 0.0040897700000000, -0.0018109700000000, 0.0001546700000000 ] - [ 0.0006116800000000, 0.0003317300000000, 0.0000456700000000 ] - [ 0.0026011100000000, -0.0007215700000000, -0.0005850200000000 ] - [ 0.0010937900000000, 0.0003993100000000, -0.0010253900000000 ] - [ 0.0017424300000000, -0.0009436800000000, -0.0004501300000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003679500000000, -0.0003942500000000, -0.0000778900000000 ] - [ 0.0193901400000000, -0.0009537200000000, -0.0001443500000000 ] - [ 0.0000986700000000, -0.0001956400000000, 0.0004392800000000 ] - [ 0.0005680400000000, -0.0016099000000000, 0.0004657100000000 ] - [ 0.0000528800000000, 0.0004714400000000, 0.0003620800000000 ] - [ 0.0004398400000000, 0.0004458100000000, 0.0000430000000000 ] - [ -0.0004235200000000, 0.0002727700000000, 0.0008979500000000 ] - [ -0.0014678300000000, -0.0014232800000000, -0.0016055100000000 ] - [ -0.0005556700000000, -0.0003721000000000, 0.0000518500000000 ] - [ -0.0006789200000000, 0.0007061900000000, 0.0003857300000000 ] - [ 0.0002112000000000, -0.0000430500000000, -0.0004822800000000 ] - [ -0.0012772400000000, 0.0004438900000000, 0.0000316800000000 ] - [ 0.0000466100000000, 0.0004159800000000, 0.0000737700000000 ] - [ -0.0005703600000000, -0.0000556500000000, 0.0005171900000000 ] - [ -0.0006423400000000, 0.0005373300000000, -0.0004747600000000 ] - [ 0.0003964800000000, -0.0003618900000000, -0.0000479100000000 ] - [ 0.0000174300000000, -0.0005414800000000, -0.0003729100000000 ] - [ 0.0002877700000000, 0.0002397200000000, -0.0000844800000000 ] - [ -0.0005153000000000, 0.0003383300000000, -0.0007568400000000 ] - [ -0.0011091500000000, -0.0001853900000000, 0.0013092000000000 ] - [ -0.0005009500000000, -0.0013068700000000, -0.0002686600000000 ] - [ 0.0002291400000000, -0.0002239400000000, -0.0003664000000000 ] - [ 0.0005198100000000, 0.0001353500000000, 0.0004803100000000 ] - [ 0.0001249400000000, -0.0004070300000000, -0.0000130200000000 ] - [ 0.0015943400000000, -0.0000811100000000, 0.0003243600000000 ] - [ 0.0017519700000000, 0.0030384600000000, 0.0006940600000000 ] - [ 0.0007061500000000, 0.0002141100000000, -0.0003220200000000 ] - [ -0.0002999800000000, -0.0013765200000000, 0.0010539900000000 ] - [ -0.0005110800000000, 0.0003897700000000, 0.0004935200000000 ] - [ -0.0006294700000000, 0.0005765700000000, 0.0002714700000000 ] - [ -0.0025854800000000, -0.0001494100000000, -0.0006776300000000 ] - [ 0.0000109500000000, 0.0002920500000000, -0.0005051800000000 ] - [ 0.0003153500000000, -0.0004712200000000, 0.0004729400000000 ] - [ -0.0002975300000000, -0.0003733700000000, -0.0009010100000000 ] - [ 0.0002909000000000, 0.0026602100000000, -0.0008918200000000 ] - [ -0.0000108700000000, -0.0005639100000000, -0.0002945700000000 ] - [ 0.0036991300000000, -0.0003855800000000, 0.0019175100000000 ] - [ 0.0016741200000000, 0.0001589400000000, 0.0000585700000000 ] - [ -0.0002442500000000, 0.0005143600000000, -0.0004905400000000 ] - [ -0.0002317700000000, -0.0000649300000000, 0.0001953600000000 ] - [ -0.0000409300000000, 0.0005706900000000, 0.0003590000000000 ] - [ -0.0093847200000000, 0.0036013200000000, 0.0058356300000000 ] - [ -0.0011916300000000, -0.0006063900000000, 0.0002266500000000 ] - [ -0.0005009000000000, -0.0004222800000000, 0.0001772400000000 ] - [ -0.0013667500000000, -0.0005083200000000, -0.0000202200000000 ] - [ -0.0006447100000000, -0.0002607000000000, -0.0002117300000000 ] - [ -0.0009936600000000, 0.0000663500000000, 0.0003008400000000 ] - [ -0.0096164900000000, 0.0041164200000000, -0.0056181100000000 ] - [ 0.0001994500000000, -0.0002433800000000, -0.0001232300000000 ] - [ 0.0004808000000000, 0.0007188600000000, 0.0003224200000000 ] - [ 0.0031813300000000, -0.0024764800000000, -0.0006156500000000 ] - [ 0.0019056700000000, -0.0003737300000000, -0.0003631000000000 ] - [ 0.0002079000000000, 0.0006967200000000, 0.0000471300000000 ] - [ 0.0003568500000000, -0.0003388500000000, -0.0003273900000000 ] - [ 0.0003144300000000, -0.0002288700000000, -0.0004031800000000 ] - [ -0.0000678500000000, -0.0001805600000000, 0.0005517900000000 ] - [ 0.0008531900000000, 0.0001035700000000, 0.0001202500000000 ] - [ 0.0008025500000000, 0.0003075200000000, -0.0004769100000000 ] - [ -0.0005247700000000, -0.0001159700000000, 0.0001717600000000 ] - [ -0.0014952200000000, 0.0000387400000000, -0.0000405900000000 ] - [ -0.0000880100000000, -0.0000073300000000, 0.0009784100000000 ] - [ -0.0002513800000000, 0.0000104500000000, -0.0005972400000000 ] - [ -0.0002450700000000, 0.0004417800000000, -0.0001672000000000 ] - [ -0.0001803100000000, -0.0007185500000000, 0.0000874700000000 ] - [ 0.0000540800000000, -0.0007500400000000, -0.0000124700000000 ] - [ 0.0000765000000000, 0.0004869300000000, 0.0002300000000000 ] - [ -0.0003156300000000, -0.0003949900000000, 0.0005248900000000 ] - [ -0.0005305800000000, 0.0000122500000000, -0.0004220600000000 ] - [ 0.0005966600000000, -0.0000297000000000, -0.0001421200000000 ] - [ 0.0000912600000000, 0.0000814300000000, 0.0000248600000000 ] - [ -0.0004124300000000, 0.0002477400000000, -0.0001624800000000 ] - [ -0.0010598300000000, 0.0012718000000000, 0.0005227300000000 ] - [ 0.0000608900000000, -0.0001265500000000, -0.0006799200000000 ] - [ -0.0002206600000000, -0.0001573100000000, 0.0004850300000000 ] - [ 0.0003162900000000, -0.0001708800000000, -0.0026319800000000 ] - [ 0.0002328900000000, 0.0002009100000000, -0.0016323600000000 ] - [ 0.0003829500000000, -0.0006829800000000, -0.0000401000000000 ] - [ -0.0033712300000000, 0.0000554800000000, 0.0016144700000000 ] - [ 0.0000305000000000, -0.0005091000000000, 0.0001260300000000 ] - [ -0.0008441800000000, 0.0006328800000000, -0.0001292400000000 ] - [ -0.0011785100000000, -0.0004579800000000, -0.0003948500000000 ] - [ -0.0005234700000000, 0.0000227000000000, -0.0000295900000000 ] - [ -0.0010028600000000, 0.0009941700000000, 0.0001046200000000 ] - [ 0.0000744500000000, -0.0002520400000000, -0.0004835300000000 ] - [ -0.0012732300000000, -0.0004378100000000, -0.0002164500000000 ] - [ 0.0000016300000000, -0.0005080500000000, -0.0005288500000000 ] - [ -0.0003631700000000, 0.0000376200000000, -0.0002209500000000 ] - [ -0.0013358000000000, 0.0006695200000000, -0.0000091600000000 ] - [ -0.0002050300000000, 0.0003693900000000, -0.0005181300000000 ] - [ -0.0002577200000000, -0.0001781900000000, -0.0002588000000000 ] - [ 0.0001494100000000, 0.0005302900000000, 0.0003211000000000 ] - [ -0.0004387200000000, -0.0007529600000000, 0.0001411700000000 ] - [ 0.0003128000000000, -0.0011656200000000, -0.0017943300000000 ] - [ 0.0018116400000000, -0.0020898200000000, -0.0011467100000000 ] - [ 0.0014372500000000, -0.0005037000000000, 0.0016266400000000 ] - [ -0.0006614500000000, -0.0002917200000000, 0.0005463500000000 ] - [ -0.0005765000000000, -0.0004224200000000, 0.0003028500000000 ] - [ -0.0001614000000000, 0.0001566000000000, -0.0001693800000000 ] - [ 0.0004477200000000, 0.0000711900000000, -0.0001473100000000 ] - [ 0.0010127100000000, -0.0003986800000000, -0.0025980900000000 ] - [ 0.0002626400000000, 0.0002302700000000, -0.0000058900000000 ] - [ 0.0000247400000000, -0.0003755100000000, -0.0000242300000000 ] - [ 0.0008990500000000, 0.0000766300000000, 0.0004418200000000 ] - [ 0.0000903100000000, -0.0002136900000000, -0.0004509000000000 ] - [ 0.0003935400000000, 0.0010933500000000, -0.0007000800000000 ] - [ 0.0004262800000000, 0.0007231800000000, -0.0004710700000000 ] - [ 0.0035670600000000, -0.0006846400000000, -0.0002732700000000 ] - [ -0.0001015100000000, 0.0001389700000000, -0.0005271700000000 ] - [ 0.0004469400000000, -0.0000246800000000, 0.0000623900000000 ] - [ 0.0011311400000000, 0.0002089500000000, 0.0000495600000000 ] - [ 0.0007564500000000, -0.0003311600000000, -0.0003461500000000 ] - [ 0.0004754900000000, 0.0007708000000000, 0.0002217100000000 ] - [ 0.0003591300000000, -0.0003535300000000, 0.0005930400000000 ] - [ -0.0003953600000000, 0.0006234700000000, -0.0001845800000000 ] - [ 0.0007426200000000, 0.0006128300000000, 0.0000814100000000 ] - [ 0.0001577600000000, -0.0002412600000000, -0.0004156500000000 ] - [ 0.0005245900000000, 0.0005240400000000, -0.0001326400000000 ] - [ 0.0003389100000000, -0.0001147200000000, -0.0000062000000000 ] - [ -0.0000875400000000, 0.0004340100000000, -0.0001496200000000 ] - [ 0.0006133900000000, -0.0001718600000000, 0.0002365700000000 ] - [ 0.0013235800000000, 0.0003668500000000, 0.0000812100000000 ] - [ 0.0007499700000000, 0.0001732800000000, 0.0006876700000000 ] - [ 0.0004773700000000, 0.0003387500000000, 0.0003646000000000 ] - [ 0.0010108900000000, 0.0011471400000000, 0.0004560700000000 ] - [ 0.0034445900000000, -0.0013274500000000, -0.0001618200000000 ] - [ 0.0000365100000000, 0.0002418000000000, -0.0001245400000000 ] - [ 0.0019074300000000, 0.0002932900000000, 0.0027479400000000 ] - [ -0.0001381100000000, 0.0001857500000000, 0.0001670900000000 ] - [ 0.0004062600000000, -0.0006385300000000, -0.0004004000000000 ] - [ -0.0002783800000000, 0.0001485500000000, -0.0000618400000000 ] - [ 0.0002695400000000, 0.0001547400000000, 0.0000105000000000 ] - [ 0.0006366600000000, -0.0004501400000000, -0.0002095600000000 ] - [ 0.0009783100000000, -0.0009826200000000, -0.0011076800000000 ] - [ -0.0005547800000000, 0.0000083000000000, -0.0005466300000000 ] - [ -0.0002181500000000, -0.0005092300000000, -0.0002455800000000 ] - [ -0.0001563500000000, -0.0001738800000000, 0.0002402700000000 ] - [ 0.0011006400000000, -0.0021266600000000, 0.0018957300000000 ] - [ -0.0003411600000000, 0.0004268900000000, 0.0001853500000000 ] - [ -0.0014602600000000, -0.0011947500000000, 0.0011178200000000 ] - [ 0.0000077900000000, 0.0004271900000000, 0.0000672200000000 ] - [ -0.0001408300000000, 0.0007415700000000, -0.0004556900000000 ] - [ -0.0002680900000000, -0.0000046300000000, 0.0003245700000000 ] - [ -0.0001513900000000, -0.0005934000000000, 0.0005454600000000 ] - [ -0.0009275700000000, 0.0003007600000000, 0.0011098600000000 ] - [ -0.0006037200000000, -0.0003455300000000, 0.0005361000000000 ] - [ -0.0006889800000000, 0.0000673500000000, 0.0003954600000000 ] - [ -0.0006117500000000, -0.0002113100000000, -0.0006294400000000 ] - [ -0.0033232000000000, 0.0010673100000000, -0.0003572300000000 ] - [ -0.0003274000000000, -0.0000457100000000, 0.0002379600000000 ] - [ -0.0032002600000000, -0.0003724100000000, 0.0003799300000000 ] - [ -0.0008688500000000, 0.0001969300000000, -0.0000640400000000 ] - [ -0.0030250700000000, -0.0002981200000000, 0.0006369500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002939700000000, 0.0006004400000000, -0.0001210200000000 ] - [ 0.0007578900000000, -0.0322838900000000, 0.0017526200000000 ] - [ -0.0002629400000000, -0.0002118400000000, 0.0000138400000000 ] - [ 0.0021047800000000, 0.0017320600000000, -0.0007109100000000 ] - [ 0.0001364000000000, 0.0007452900000000, 0.0003044900000000 ] - [ -0.0001451900000000, 0.0004807100000000, -0.0000083500000000 ] - [ -0.0005837300000000, -0.0002161700000000, 0.0004412300000000 ] - [ 0.0007052100000000, -0.0011218900000000, 0.0007210800000000 ] - [ -0.0003771700000000, -0.0002725600000000, 0.0001121700000000 ] - [ -0.0001198100000000, 0.0002213800000000, 0.0004328200000000 ] - [ 0.0002971300000000, 0.0000606200000000, -0.0005042800000000 ] - [ -0.0001757600000000, 0.0002831700000000, -0.0001048700000000 ] - [ 0.0002285700000000, 0.0005976500000000, 0.0000956100000000 ] - [ -0.0003106800000000, -0.0002115700000000, 0.0005200700000000 ] - [ -0.0002236100000000, 0.0002204600000000, -0.0004421000000000 ] - [ 0.0006002300000000, -0.0003072700000000, -0.0001347200000000 ] - [ 0.0001134200000000, -0.0003094400000000, -0.0003088800000000 ] - [ -0.0001623800000000, 0.0003796200000000, -0.0000447300000000 ] - [ -0.0005691400000000, 0.0000159600000000, -0.0004786500000000 ] - [ 0.0006564400000000, -0.0003073400000000, -0.0005268400000000 ] - [ 0.0011728100000000, 0.0013583900000000, 0.0006539400000000 ] - [ -0.0001107600000000, -0.0002951500000000, -0.0000715200000000 ] - [ 0.0003892700000000, 0.0008513100000000, 0.0005554500000000 ] - [ -0.0002422900000000, -0.0007526000000000, -0.0000057900000000 ] - [ -0.0008769200000000, -0.0038310400000000, -0.0000705400000000 ] - [ -0.0035415400000000, 0.0036959700000000, 0.0034693700000000 ] - [ 0.0015996200000000, 0.0012784100000000, 0.0001827500000000 ] - [ -0.0002785800000000, -0.0006464500000000, -0.0004810100000000 ] - [ -0.0003054800000000, 0.0001979700000000, 0.0004195100000000 ] - [ -0.0003380700000000, 0.0008500500000000, 0.0002720300000000 ] - [ 0.0004092500000000, 0.0001938600000000, -0.0002688700000000 ] - [ 0.0003525400000000, 0.0002643600000000, -0.0004650200000000 ] - [ 0.0014531500000000, 0.0010127000000000, -0.0001540500000000 ] - [ -0.0001774200000000, -0.0001077400000000, 0.0004436500000000 ] - [ -0.0036253700000000, 0.0030891000000000, -0.0032354300000000 ] - [ -0.0003621100000000, 0.0001364800000000, -0.0004154800000000 ] - [ 0.0031456600000000, 0.0064163600000000, 0.0075037100000000 ] - [ 0.0008776300000000, 0.0008548600000000, -0.0019429900000000 ] - [ -0.0005364100000000, 0.0011703700000000, -0.0002905400000000 ] - [ -0.0004704700000000, -0.0011453900000000, 0.0000016500000000 ] - [ -0.0003968800000000, 0.0019608000000000, 0.0006760400000000 ] - [ -0.0003687700000000, -0.0052106200000000, -0.0016392500000000 ] - [ -0.0000282600000000, -0.0005028500000000, 0.0003747100000000 ] - [ 0.0003464000000000, -0.0001930300000000, 0.0002903400000000 ] - [ -0.0002370800000000, -0.0005101400000000, -0.0002363200000000 ] - [ 0.0003526700000000, -0.0000874300000000, -0.0002795400000000 ] - [ -0.0007802900000000, 0.0014039600000000, 0.0004647900000000 ] - [ -0.0015445300000000, -0.0037334200000000, 0.0011437700000000 ] - [ 0.0002748100000000, 0.0005925300000000, -0.0004107300000000 ] - [ 0.0004914100000000, -0.0001094300000000, 0.0004328000000000 ] - [ 0.0043496400000000, 0.0078055100000000, -0.0125435200000000 ] - [ 0.0006734400000000, 0.0005089000000000, 0.0011164700000000 ] - [ -0.0001757600000000, 0.0017935300000000, -0.0002230400000000 ] - [ 0.0002381500000000, 0.0001955700000000, -0.0002976100000000 ] - [ 0.0003061000000000, -0.0004289600000000, -0.0003273400000000 ] - [ 0.0002567700000000, 0.0002210300000000, 0.0015517800000000 ] - [ 0.0003707100000000, 0.0002034200000000, 0.0002664700000000 ] - [ 0.0003247700000000, 0.0000157000000000, -0.0002606800000000 ] - [ -0.0005242700000000, -0.0001587600000000, 0.0000891600000000 ] - [ -0.0010288800000000, 0.0000151400000000, 0.0000788100000000 ] - [ 0.0000581500000000, 0.0001613500000000, 0.0006310300000000 ] - [ -0.0002069000000000, 0.0003261500000000, -0.0003861900000000 ] - [ -0.0001889800000000, 0.0003857100000000, -0.0002538600000000 ] - [ -0.0000645900000000, -0.0008240400000000, -0.0000023500000000 ] - [ 0.0001522300000000, -0.0005401400000000, -0.0000707300000000 ] - [ 0.0000838800000000, 0.0005439800000000, 0.0002254100000000 ] - [ 0.0002972100000000, 0.0000174200000000, 0.0005652300000000 ] - [ 0.0001195000000000, 0.0000542600000000, -0.0007437200000000 ] - [ 0.0006947200000000, -0.0000087100000000, -0.0001057000000000 ] - [ 0.0000993600000000, -0.0004559500000000, -0.0006383800000000 ] - [ -0.0004590500000000, 0.0002961600000000, -0.0002057100000000 ] - [ -0.0032865000000000, -0.0005572400000000, 0.0011109000000000 ] - [ 0.0000157800000000, -0.0000639600000000, -0.0007665500000000 ] - [ -0.0000875600000000, 0.0001096200000000, 0.0003701100000000 ] - [ -0.0008872600000000, -0.0012623200000000, -0.0021271200000000 ] - [ 0.0005138500000000, -0.0002036200000000, 0.0024504500000000 ] - [ 0.0007051100000000, -0.0020366600000000, 0.0000565500000000 ] - [ -0.0006147700000000, 0.0039066300000000, 0.0020113200000000 ] - [ 0.0001834400000000, -0.0014234900000000, 0.0006977200000000 ] - [ 0.0002250300000000, -0.0010646300000000, 0.0021232600000000 ] - [ -0.0004420400000000, -0.0008644400000000, -0.0011747600000000 ] - [ 0.0001109900000000, 0.0002270900000000, -0.0003458400000000 ] - [ -0.0004277900000000, 0.0005263600000000, -0.0031592800000000 ] - [ 0.0003790100000000, -0.0006305700000000, -0.0004370000000000 ] - [ -0.0016839400000000, -0.0025417700000000, -0.0009972500000000 ] - [ -0.0001606300000000, -0.0007286400000000, -0.0013154800000000 ] - [ 0.0005796400000000, 0.0006802700000000, 0.0000872400000000 ] - [ -0.0009921400000000, 0.0000599100000000, 0.0007868000000000 ] - [ -0.0000290200000000, 0.0008701500000000, 0.0000190000000000 ] - [ -0.0003112500000000, -0.0009160900000000, -0.0003202500000000 ] - [ 0.0002155100000000, -0.0001149700000000, -0.0000642100000000 ] - [ 0.0006139400000000, -0.0018530000000000, -0.0002140800000000 ] - [ 0.0000919000000000, 0.0036031900000000, 0.0003782700000000 ] - [ 0.0025139900000000, 0.0021048500000000, -0.0001697200000000 ] - [ 0.0013353800000000, 0.0004212200000000, 0.0009798900000000 ] - [ -0.0003440800000000, -0.0002944400000000, 0.0005523300000000 ] - [ -0.0004646400000000, -0.0006576100000000, 0.0003624300000000 ] - [ -0.0001341100000000, -0.0000876800000000, -0.0001510500000000 ] - [ 0.0004407400000000, 0.0004274000000000, 0.0000170200000000 ] - [ -0.0004460200000000, 0.0002617700000000, 0.0005769700000000 ] - [ 0.0001805100000000, 0.0005701600000000, -0.0002578300000000 ] - [ 0.0000343600000000, -0.0011958500000000, 0.0001406300000000 ] - [ 0.0000802600000000, -0.0000821000000000, 0.0001715300000000 ] - [ 0.0000498000000000, -0.0003962100000000, -0.0004737200000000 ] - [ -0.0002601600000000, 0.0004629200000000, -0.0005818100000000 ] - [ -0.0002192000000000, 0.0004104200000000, -0.0003535000000000 ] - [ -0.0008389800000000, 0.0011545000000000, -0.0002498400000000 ] - [ -0.0004110400000000, -0.0000678100000000, -0.0003545700000000 ] - [ 0.0000525600000000, -0.0000751900000000, -0.0000373200000000 ] - [ 0.0005077100000000, 0.0004176000000000, 0.0002652400000000 ] - [ 0.0001890400000000, -0.0001332200000000, -0.0001896300000000 ] - [ -0.0003597200000000, 0.0008059100000000, 0.0001280500000000 ] - [ 0.0000797000000000, -0.0003324800000000, 0.0005616400000000 ] - [ -0.0006467900000000, 0.0007656700000000, -0.0000599700000000 ] - [ 0.0006434600000000, 0.0003953500000000, 0.0001083400000000 ] - [ -0.0001845900000000, -0.0002443100000000, -0.0007018500000000 ] - [ 0.0002975700000000, 0.0003639700000000, -0.0000571800000000 ] - [ -0.0000975900000000, -0.0002014600000000, 0.0001432600000000 ] - [ -0.0003785400000000, 0.0003172200000000, -0.0000833900000000 ] - [ 0.0000991200000000, -0.0000353000000000, 0.0000890600000000 ] - [ 0.0001951400000000, 0.0003884200000000, 0.0003129400000000 ] - [ 0.0005478800000000, -0.0001045200000000, 0.0006362400000000 ] - [ -0.0002516300000000, 0.0002887000000000, 0.0004836400000000 ] - [ -0.0001482300000000, 0.0007306300000000, 0.0005169700000000 ] - [ -0.0001994400000000, 0.0010880200000000, 0.0004981900000000 ] - [ -0.0007076400000000, -0.0001570700000000, -0.0003222900000000 ] - [ -0.0001370700000000, 0.0003096300000000, -0.0002043900000000 ] - [ -0.0002101200000000, -0.0000567300000000, 0.0002177700000000 ] - [ 0.0002012800000000, -0.0013210400000000, -0.0007135400000000 ] - [ -0.0003616600000000, -0.0001786900000000, -0.0000870900000000 ] - [ 0.0001262900000000, 0.0004742600000000, 0.0002697500000000 ] - [ 0.0004813500000000, 0.0000165800000000, -0.0002727400000000 ] - [ 0.0023382800000000, 0.0006442800000000, -0.0010498200000000 ] - [ -0.0005479200000000, -0.0000423900000000, -0.0005652400000000 ] - [ 0.0005071200000000, -0.0012553600000000, -0.0000506800000000 ] - [ -0.0003852200000000, -0.0009351700000000, 0.0002280900000000 ] - [ 0.0021134500000000, 0.0014950000000000, 0.0004190000000000 ] - [ -0.0002468100000000, 0.0008313700000000, -0.0004012200000000 ] - [ 0.0008067200000000, 0.0030210900000000, -0.0001612600000000 ] - [ -0.0001423900000000, -0.0003384400000000, 0.0005481500000000 ] - [ -0.0018822400000000, -0.0009133900000000, 0.0008976900000000 ] - [ -0.0000523600000000, -0.0003583800000000, 0.0004248900000000 ] - [ -0.0002530400000000, -0.0007824400000000, 0.0008383100000000 ] - [ -0.0003754900000000, -0.0000259300000000, -0.0005247900000000 ] - [ -0.0002134400000000, 0.0003648800000000, 0.0006859400000000 ] - [ -0.0005299800000000, -0.0006647100000000, 0.0000182100000000 ] - [ 0.0000818000000000, -0.0015716800000000, -0.0018873600000000 ] - [ -0.0008190500000000, 0.0045691100000000, -0.0001143300000000 ] - [ 0.0002210700000000, 0.0002740500000000, 0.0006263400000000 ] - [ -0.0006702900000000, 0.0031994700000000, 0.0016399100000000 ] - [ -0.0001062200000000, -0.0007921000000000, 0.0013672200000000 ] - [ -0.0007939300000000, 0.0025805700000000, -0.0002108200000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001764800000000, -0.0014269900000000, -0.0000308500000000 ] - [ -0.0011680400000000, 0.0325897800000000, -0.0031252700000000 ] - [ 0.0001110900000000, -0.0002561800000000, 0.0008133300000000 ] - [ -0.0010879200000000, -0.0011241700000000, 0.0007924800000000 ] - [ -0.0000442200000000, 0.0002545300000000, 0.0002960200000000 ] - [ 0.0009733000000000, -0.0003299900000000, 0.0004812600000000 ] - [ -0.0002419900000000, 0.0000655200000000, 0.0000305300000000 ] - [ -0.0007978600000000, 0.0001160000000000, -0.0001248100000000 ] - [ -0.0006220500000000, -0.0003278900000000, -0.0000237500000000 ] - [ 0.0002726100000000, 0.0002495900000000, 0.0003941400000000 ] - [ 0.0003023000000000, -0.0001522400000000, -0.0004961600000000 ] - [ -0.0002934700000000, 0.0005413000000000, -0.0000467500000000 ] - [ 0.0002408200000000, 0.0002280700000000, 0.0000572800000000 ] - [ -0.0002885700000000, 0.0001206300000000, 0.0004793500000000 ] - [ 0.0000716700000000, 0.0002478000000000, -0.0003851100000000 ] - [ 0.0003997100000000, -0.0002921700000000, 0.0000459100000000 ] - [ -0.0000228600000000, -0.0006906400000000, -0.0002919400000000 ] - [ 0.0009884200000000, -0.0005305100000000, -0.0004268600000000 ] - [ -0.0002565200000000, 0.0001344900000000, 0.0000072900000000 ] - [ -0.0007435200000000, 0.0013101600000000, -0.0000786300000000 ] - [ -0.0021856600000000, -0.0007665600000000, -0.0007457300000000 ] - [ 0.0002618100000000, -0.0001754100000000, -0.0007554100000000 ] - [ 0.0002087900000000, -0.0007597000000000, 0.0004456900000000 ] - [ -0.0002285000000000, -0.0000735700000000, 0.0001632400000000 ] - [ 0.0012986700000000, 0.0027169500000000, 0.0006993900000000 ] - [ 0.0042039000000000, -0.0041534200000000, -0.0023798000000000 ] - [ -0.0004884200000000, -0.0006386800000000, -0.0006053800000000 ] - [ -0.0008266400000000, 0.0000038100000000, 0.0000567600000000 ] - [ -0.0003305800000000, 0.0002277800000000, 0.0006871000000000 ] - [ -0.0000856200000000, 0.0002557000000000, 0.0003650500000000 ] - [ 0.0000169000000000, 0.0009132900000000, -0.0003729700000000 ] - [ 0.0002848300000000, 0.0001594200000000, -0.0006411600000000 ] - [ -0.0003489800000000, -0.0016523300000000, 0.0005808500000000 ] - [ -0.0009304000000000, 0.0007493900000000, -0.0000151800000000 ] - [ 0.0029547400000000, -0.0034902200000000, 0.0021187100000000 ] - [ -0.0000621500000000, -0.0012420600000000, -0.0002242800000000 ] - [ -0.0038359900000000, -0.0057014800000000, -0.0067946000000000 ] - [ -0.0003278800000000, -0.0003136800000000, 0.0024716400000000 ] - [ -0.0003745400000000, -0.0002578800000000, -0.0006211400000000 ] - [ -0.0000322700000000, 0.0006428700000000, 0.0004999300000000 ] - [ 0.0009054200000000, -0.0014601000000000, -0.0001747400000000 ] - [ 0.0012550300000000, 0.0043350800000000, 0.0007475400000000 ] - [ -0.0005154700000000, -0.0000464900000000, 0.0001697100000000 ] - [ 0.0003221700000000, -0.0004759000000000, 0.0003770100000000 ] - [ -0.0004296600000000, -0.0001534200000000, -0.0004333800000000 ] - [ 0.0001952500000000, -0.0004570900000000, -0.0002654900000000 ] - [ -0.0001329500000000, -0.0023143500000000, 0.0004469800000000 ] - [ 0.0010696600000000, 0.0042088500000000, -0.0016244600000000 ] - [ 0.0002245000000000, -0.0010940000000000, -0.0000886900000000 ] - [ 0.0004205600000000, 0.0010204000000000, 0.0004813700000000 ] - [ -0.0049307700000000, -0.0073366300000000, 0.0121108900000000 ] - [ -0.0000084900000000, 0.0001652000000000, -0.0017923300000000 ] - [ 0.0003663600000000, -0.0003354400000000, 0.0002673000000000 ] - [ 0.0000486100000000, -0.0011113000000000, -0.0001679900000000 ] - [ 0.0001600600000000, 0.0001403200000000, -0.0005874400000000 ] - [ -0.0003007600000000, -0.0004117900000000, -0.0000937700000000 ] - [ 0.0010870800000000, -0.0001591600000000, -0.0000760700000000 ] - [ 0.0005901500000000, 0.0004512200000000, 0.0005472300000000 ] - [ -0.0003916700000000, -0.0003070800000000, 0.0001963600000000 ] - [ -0.0004270700000000, -0.0000605300000000, 0.0001126000000000 ] - [ -0.0000132200000000, 0.0000301600000000, 0.0008250600000000 ] - [ -0.0002582300000000, -0.0000403600000000, -0.0005298300000000 ] - [ -0.0000980400000000, 0.0005295200000000, -0.0002116800000000 ] - [ -0.0001269500000000, -0.0006323300000000, 0.0000468600000000 ] - [ 0.0000393600000000, -0.0009162400000000, 0.0000262600000000 ] - [ 0.0002027400000000, 0.0003713500000000, 0.0002405900000000 ] - [ 0.0001695500000000, 0.0002711600000000, 0.0003502900000000 ] - [ -0.0001631600000000, 0.0001381500000000, -0.0007130200000000 ] - [ 0.0007615700000000, -0.0000361500000000, -0.0000856400000000 ] - [ 0.0008154800000000, -0.0000118200000000, 0.0003491200000000 ] - [ -0.0004571200000000, 0.0001694300000000, -0.0000806600000000 ] - [ 0.0018179700000000, 0.0005960300000000, -0.0012971200000000 ] - [ 0.0000284200000000, -0.0001279100000000, -0.0006901000000000 ] - [ -0.0003785400000000, -0.0003966500000000, 0.0005457600000000 ] - [ 0.0006084500000000, 0.0003238500000000, 0.0026011300000000 ] - [ -0.0007021500000000, 0.0016817500000000, -0.0024868000000000 ] - [ 0.0005873100000000, 0.0007913200000000, -0.0002337100000000 ] - [ 0.0004063100000000, -0.0038824000000000, -0.0008743600000000 ] - [ 0.0003974600000000, 0.0003350600000000, -0.0004873500000000 ] - [ -0.0005162200000000, 0.0013581600000000, -0.0024268900000000 ] - [ -0.0003180900000000, 0.0000932600000000, 0.0014115100000000 ] - [ -0.0000558500000000, -0.0001764900000000, 0.0002933800000000 ] - [ 0.0011960800000000, -0.0007462900000000, 0.0023821700000000 ] - [ 0.0001793800000000, 0.0001184500000000, -0.0005977600000000 ] - [ 0.0019138900000000, 0.0017706600000000, 0.0002218700000000 ] - [ 0.0003365200000000, -0.0005582400000000, 0.0000706900000000 ] - [ -0.0002037300000000, -0.0006337100000000, -0.0008329000000000 ] - [ -0.0001027100000000, 0.0001591900000000, -0.0001945200000000 ] - [ 0.0000704300000000, -0.0001249500000000, -0.0003987900000000 ] - [ -0.0000615200000000, 0.0005457900000000, -0.0000494200000000 ] - [ 0.0002971800000000, 0.0011443600000000, 0.0006188800000000 ] - [ -0.0013658000000000, 0.0014865900000000, 0.0001634200000000 ] - [ 0.0002620800000000, -0.0039228100000000, -0.0007078400000000 ] - [ -0.0014913100000000, -0.0015634100000000, 0.0006855500000000 ] - [ -0.0000915900000000, -0.0002470100000000, 0.0003076400000000 ] - [ -0.0009010800000000, 0.0001185000000000, 0.0007423200000000 ] - [ -0.0005749600000000, 0.0000942600000000, 0.0001473100000000 ] - [ -0.0001868500000000, 0.0004083300000000, -0.0001692400000000 ] - [ 0.0003044600000000, -0.0000537600000000, -0.0000648300000000 ] - [ -0.0000571600000000, -0.0013083600000000, -0.0000191200000000 ] - [ 0.0001897500000000, -0.0001999000000000, -0.0001130800000000 ] - [ -0.0000892000000000, 0.0004475600000000, -0.0005096500000000 ] - [ 0.0010022900000000, -0.0001171300000000, 0.0004075900000000 ] - [ -0.0004219100000000, 0.0003436000000000, -0.0002743800000000 ] - [ 0.0000820800000000, 0.0008274800000000, -0.0006615900000000 ] - [ -0.0000021200000000, 0.0003580100000000, -0.0004238100000000 ] - [ 0.0002843300000000, -0.0006486300000000, -0.0007847700000000 ] - [ -0.0003568200000000, 0.0002986000000000, -0.0004084200000000 ] - [ -0.0001070800000000, 0.0000204000000000, -0.0000163800000000 ] - [ 0.0002576500000000, 0.0003530000000000, -0.0000396000000000 ] - [ 0.0001080200000000, -0.0001651500000000, -0.0001088000000000 ] - [ -0.0002235800000000, 0.0002834200000000, 0.0000801500000000 ] - [ 0.0001291400000000, -0.0002529900000000, 0.0005289700000000 ] - [ -0.0006407700000000, 0.0004762900000000, -0.0001159100000000 ] - [ 0.0006455900000000, 0.0008476200000000, 0.0000671400000000 ] - [ -0.0000250300000000, -0.0003387200000000, -0.0003874900000000 ] - [ 0.0002816900000000, 0.0007217800000000, -0.0001445700000000 ] - [ -0.0001998500000000, -0.0000949100000000, 0.0001537700000000 ] - [ -0.0003873900000000, 0.0004537100000000, -0.0001420200000000 ] - [ -0.0000462400000000, -0.0000166200000000, -0.0000364300000000 ] - [ 0.0005732700000000, -0.0001624700000000, 0.0004528000000000 ] - [ 0.0000098500000000, 0.0006162700000000, 0.0003959900000000 ] - [ 0.0004767700000000, 0.0004748400000000, 0.0002919300000000 ] - [ 0.0003243300000000, 0.0005553100000000, 0.0007262600000000 ] - [ 0.0005658500000000, -0.0011313100000000, 0.0002527000000000 ] - [ -0.0003838900000000, -0.0000595600000000, -0.0002650000000000 ] - [ 0.0001759500000000, -0.0010554500000000, 0.0005720400000000 ] - [ -0.0001595700000000, 0.0004272000000000, 0.0001532700000000 ] - [ 0.0003062300000000, 0.0002788600000000, 0.0001519300000000 ] - [ -0.0003851800000000, 0.0005509000000000, 0.0001337100000000 ] - [ 0.0001937200000000, -0.0001545400000000, 0.0000501000000000 ] - [ 0.0005554100000000, -0.0005755200000000, -0.0002381600000000 ] - [ -0.0010867500000000, -0.0008175300000000, -0.0002397000000000 ] - [ -0.0006943500000000, 0.0002184300000000, -0.0007253200000000 ] - [ -0.0015390400000000, 0.0018120200000000, -0.0004619400000000 ] - [ 0.0000670400000000, 0.0006157700000000, 0.0000912700000000 ] - [ -0.0013630300000000, -0.0018490000000000, -0.0003657400000000 ] - [ -0.0002606400000000, 0.0002116200000000, -0.0001639200000000 ] - [ -0.0004602300000000, -0.0033896000000000, 0.0005277800000000 ] - [ 0.0000995700000000, 0.0010848800000000, -0.0001738000000000 ] - [ 0.0029758000000000, 0.0011247100000000, -0.0014903200000000 ] - [ -0.0003173800000000, 0.0004091900000000, 0.0003234600000000 ] - [ 0.0000767600000000, -0.0005068700000000, 0.0004057200000000 ] - [ 0.0001541600000000, -0.0007488600000000, 0.0013050100000000 ] - [ -0.0003466500000000, -0.0008737200000000, 0.0003511000000000 ] - [ -0.0002398100000000, 0.0004330000000000, 0.0007453900000000 ] - [ -0.0001323900000000, 0.0016254900000000, 0.0019435900000000 ] - [ 0.0014389500000000, -0.0048852700000000, 0.0000555500000000 ] - [ 0.0000774500000000, 0.0000270400000000, -0.0003270200000000 ] - [ 0.0000785100000000, -0.0043216700000000, -0.0018289100000000 ] - [ 0.0003119000000000, 0.0013663900000000, -0.0024413600000000 ] - [ -0.0004928600000000, -0.0038235300000000, 0.0003898400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002348200000000, -0.0005055600000000, 0.0000753100000000 ] - [ -0.0004960200000000, 0.0025389700000000, -0.0283859800000000 ] - [ 0.0000071100000000, -0.0004327200000000, 0.0011414800000000 ] - [ 0.0000550800000000, -0.0006305600000000, -0.0005718100000000 ] - [ -0.0000543400000000, 0.0004280900000000, 0.0004047400000000 ] - [ 0.0007501100000000, -0.0001782300000000, 0.0001064600000000 ] - [ -0.0007585500000000, 0.0000992100000000, 0.0006545900000000 ] - [ 0.0015550000000000, -0.0000545000000000, 0.0002277100000000 ] - [ -0.0003616600000000, -0.0002578400000000, 0.0002348000000000 ] - [ -0.0000680300000000, 0.0004370700000000, 0.0002459700000000 ] - [ 0.0003171000000000, -0.0000422900000000, -0.0003847500000000 ] - [ -0.0002506500000000, 0.0004020200000000, 0.0000786600000000 ] - [ 0.0002208600000000, 0.0004071900000000, -0.0000029900000000 ] - [ -0.0002829000000000, -0.0000249800000000, 0.0005613400000000 ] - [ -0.0000034600000000, 0.0000499700000000, -0.0005801000000000 ] - [ 0.0004278400000000, -0.0003281600000000, 0.0002000000000000 ] - [ 0.0001677900000000, -0.0003627200000000, -0.0002442400000000 ] - [ 0.0001303100000000, 0.0000954100000000, -0.0002942400000000 ] - [ -0.0000761200000000, -0.0001703600000000, 0.0002336300000000 ] - [ -0.0017278600000000, 0.0002924900000000, -0.0002983700000000 ] - [ -0.0002929400000000, 0.0009831900000000, -0.0008506000000000 ] - [ -0.0000417800000000, -0.0001042600000000, 0.0001579000000000 ] - [ 0.0003191300000000, -0.0000091500000000, 0.0002112000000000 ] - [ -0.0002810600000000, -0.0005277400000000, 0.0018606600000000 ] - [ 0.0005601700000000, 0.0004669300000000, 0.0056376100000000 ] - [ 0.0006341000000000, 0.0015029500000000, -0.0012238600000000 ] - [ 0.0011314300000000, 0.0006460200000000, -0.0002554300000000 ] - [ -0.0009678500000000, -0.0005067800000000, 0.0007097000000000 ] - [ -0.0001164600000000, 0.0001121500000000, 0.0008598100000000 ] - [ -0.0002659400000000, 0.0005589900000000, 0.0001985800000000 ] - [ 0.0001741500000000, 0.0006264100000000, -0.0010747600000000 ] - [ 0.0002270600000000, 0.0002728800000000, -0.0002879300000000 ] - [ -0.0000843400000000, -0.0009573200000000, 0.0004376400000000 ] - [ 0.0004947100000000, 0.0003272300000000, 0.0010563500000000 ] - [ -0.0002860900000000, -0.0018883700000000, -0.0031756500000000 ] - [ -0.0002906700000000, -0.0004196800000000, 0.0003374200000000 ] - [ -0.0007913900000000, 0.0059087100000000, 0.0005108500000000 ] - [ -0.0000566500000000, -0.0012006000000000, 0.0010940900000000 ] - [ -0.0004649700000000, 0.0004071100000000, 0.0001338500000000 ] - [ 0.0004783400000000, 0.0003681100000000, 0.0021140000000000 ] - [ 0.0002566700000000, 0.0003236800000000, -0.0003432700000000 ] - [ -0.0035895600000000, -0.0005448400000000, -0.0005248000000000 ] - [ -0.0000153700000000, -0.0005108100000000, 0.0001311600000000 ] - [ 0.0003143300000000, -0.0006296900000000, 0.0006399900000000 ] - [ -0.0002679300000000, -0.0001978100000000, -0.0008116800000000 ] - [ 0.0005332200000000, 0.0000273500000000, 0.0001528900000000 ] - [ -0.0004006500000000, -0.0005582500000000, -0.0001579900000000 ] - [ 0.0039097500000000, 0.0011463300000000, -0.0016844400000000 ] - [ 0.0001291200000000, -0.0003805500000000, 0.0004390000000000 ] - [ -0.0005030000000000, 0.0001817400000000, 0.0025180300000000 ] - [ -0.0015529400000000, -0.0124528100000000, -0.0023466600000000 ] - [ -0.0006408400000000, 0.0026562600000000, 0.0009069700000000 ] - [ -0.0000010300000000, 0.0010146800000000, -0.0001407100000000 ] - [ 0.0003622200000000, -0.0004378500000000, -0.0004071900000000 ] - [ 0.0002706900000000, -0.0003738700000000, -0.0001508800000000 ] - [ 0.0003503800000000, 0.0003725600000000, 0.0018816700000000 ] - [ 0.0005384400000000, 0.0001303000000000, 0.0001725100000000 ] - [ 0.0008629600000000, 0.0000319800000000, 0.0006679600000000 ] - [ -0.0005287000000000, -0.0001597700000000, 0.0000519900000000 ] - [ -0.0001962400000000, -0.0000181500000000, 0.0002127000000000 ] - [ -0.0000065400000000, 0.0000643600000000, 0.0007178000000000 ] - [ -0.0001907900000000, 0.0000473100000000, -0.0005968200000000 ] - [ -0.0000244400000000, 0.0005318700000000, -0.0001235700000000 ] - [ -0.0001197500000000, -0.0006635500000000, 0.0001198800000000 ] - [ 0.0000727500000000, -0.0007800300000000, 0.0000074800000000 ] - [ 0.0001332400000000, 0.0004582700000000, 0.0002448500000000 ] - [ 0.0003433900000000, 0.0003746900000000, 0.0003096200000000 ] - [ -0.0000031000000000, 0.0001044200000000, -0.0009692500000000 ] - [ 0.0007781600000000, -0.0000196800000000, -0.0000490300000000 ] - [ 0.0000518800000000, -0.0004561900000000, -0.0008203400000000 ] - [ -0.0004793200000000, 0.0001736200000000, 0.0000194600000000 ] - [ -0.0018502000000000, 0.0006662700000000, 0.0000229500000000 ] - [ 0.0001629800000000, -0.0001805700000000, -0.0002506500000000 ] - [ -0.0003033600000000, -0.0001990600000000, 0.0006211300000000 ] - [ 0.0035926600000000, -0.0031425500000000, 0.0032617100000000 ] - [ 0.0020876200000000, 0.0041752100000000, 0.0038786100000000 ] - [ 0.0006065900000000, -0.0007608900000000, 0.0002504700000000 ] - [ -0.0007659600000000, 0.0012301900000000, 0.0052735100000000 ] - [ 0.0003511700000000, -0.0001088400000000, -0.0001689700000000 ] - [ -0.0007272100000000, 0.0020892300000000, 0.0001364800000000 ] - [ -0.0001005000000000, -0.0008655500000000, 0.0004442200000000 ] - [ 0.0002944100000000, -0.0006305900000000, -0.0007988400000000 ] - [ 0.0001662800000000, -0.0028577600000000, -0.0020240700000000 ] - [ 0.0004505400000000, -0.0002271200000000, -0.0009457600000000 ] - [ -0.0006969300000000, -0.0013540300000000, 0.0001719900000000 ] - [ -0.0001259900000000, -0.0008452300000000, -0.0017158500000000 ] - [ -0.0009667600000000, -0.0000931000000000, -0.0018040100000000 ] - [ -0.0003104400000000, 0.0005149900000000, -0.0000724500000000 ] - [ 0.0001682600000000, 0.0001463000000000, -0.0013488500000000 ] - [ -0.0001202200000000, -0.0001039700000000, 0.0001022900000000 ] - [ 0.0000918700000000, 0.0004595500000000, -0.0000117700000000 ] - [ -0.0005848000000000, -0.0002567900000000, 0.0004474400000000 ] - [ 0.0011381900000000, -0.0000134200000000, 0.0025527900000000 ] - [ 0.0016102700000000, -0.0003265000000000, 0.0005897300000000 ] - [ -0.0005460300000000, 0.0003480500000000, 0.0004043500000000 ] - [ -0.0004254500000000, -0.0002430900000000, 0.0005918300000000 ] - [ -0.0006280000000000, -0.0001905900000000, 0.0000178700000000 ] - [ -0.0002288900000000, 0.0002087500000000, -0.0004056800000000 ] - [ 0.0000510600000000, 0.0003066900000000, -0.0005855100000000 ] - [ 0.0002527400000000, -0.0003448100000000, 0.0002099700000000 ] - [ -0.0000977200000000, 0.0000852200000000, -0.0006648400000000 ] - [ -0.0001084300000000, -0.0004706500000000, 0.0001860100000000 ] - [ 0.0001484400000000, -0.0000780300000000, 0.0003356500000000 ] - [ -0.0002125200000000, -0.0001348300000000, -0.0001504100000000 ] - [ -0.0000340400000000, 0.0008107700000000, -0.0004657600000000 ] - [ -0.0000167500000000, 0.0004515000000000, -0.0006461900000000 ] - [ 0.0005192300000000, 0.0001626000000000, -0.0001798300000000 ] - [ -0.0003591600000000, 0.0002119900000000, -0.0004102100000000 ] - [ -0.0000764200000000, -0.0000285000000000, 0.0001774500000000 ] - [ 0.0000212500000000, 0.0005069900000000, 0.0000491500000000 ] - [ 0.0001891000000000, -0.0002896700000000, -0.0003382600000000 ] - [ -0.0003974700000000, 0.0007271300000000, 0.0004062400000000 ] - [ -0.0000689800000000, -0.0003227500000000, 0.0001529300000000 ] - [ -0.0007044500000000, 0.0005432700000000, -0.0003157600000000 ] - [ 0.0006567300000000, 0.0006499100000000, 0.0000509000000000 ] - [ -0.0001639900000000, -0.0002828500000000, -0.0006140900000000 ] - [ 0.0002605500000000, 0.0004200600000000, -0.0001495000000000 ] - [ -0.0001548500000000, -0.0001413100000000, 0.0002842700000000 ] - [ -0.0003094700000000, 0.0004520700000000, -0.0003863600000000 ] - [ -0.0001106100000000, 0.0001482200000000, -0.0001464400000000 ] - [ 0.0004402900000000, -0.0001035700000000, 0.0008122400000000 ] - [ 0.0004203900000000, 0.0002671100000000, 0.0007263900000000 ] - [ 0.0003617500000000, 0.0003651000000000, 0.0004022300000000 ] - [ 0.0000188000000000, 0.0004412400000000, 0.0009395600000000 ] - [ -0.0004986800000000, 0.0002105600000000, 0.0013508300000000 ] - [ -0.0009155500000000, -0.0003278500000000, -0.0005451700000000 ] - [ -0.0002855000000000, -0.0006749300000000, 0.0004679900000000 ] - [ -0.0001273600000000, 0.0001641700000000, -0.0000727700000000 ] - [ 0.0003710300000000, -0.0002256500000000, 0.0001565100000000 ] - [ -0.0002903900000000, 0.0001833400000000, -0.0001823300000000 ] - [ 0.0003854100000000, 0.0000913000000000, -0.0004729500000000 ] - [ 0.0006998000000000, -0.0003609400000000, -0.0007012300000000 ] - [ 0.0015999800000000, -0.0002666900000000, -0.0002619500000000 ] - [ -0.0006845300000000, 0.0001865300000000, -0.0007913100000000 ] - [ -0.0004228400000000, 0.0003394600000000, 0.0002125900000000 ] - [ -0.0002394800000000, -0.0002426300000000, 0.0004511300000000 ] - [ -0.0023657800000000, 0.0008249400000000, 0.0010175600000000 ] - [ -0.0005368500000000, 0.0009092300000000, -0.0018151200000000 ] - [ -0.0007342100000000, -0.0005066600000000, 0.0028542000000000 ] - [ 0.0001741600000000, 0.0005858600000000, -0.0002308300000000 ] - [ 0.0019872500000000, 0.0017681700000000, 0.0006169300000000 ] - [ -0.0003018400000000, 0.0000302300000000, -0.0000727500000000 ] - [ -0.0000582100000000, -0.0005044100000000, -0.0000407300000000 ] - [ -0.0007920100000000, -0.0027747000000000, -0.0008965400000000 ] - [ 0.0007829700000000, -0.0004552600000000, -0.0009719700000000 ] - [ -0.0004621700000000, -0.0008462100000000, -0.0004081000000000 ] - [ 0.0004171000000000, -0.0007219400000000, -0.0001861200000000 ] - [ 0.0007343600000000, 0.0003496000000000, 0.0032150200000000 ] - [ 0.0001897900000000, 0.0008603100000000, -0.0004905100000000 ] - [ -0.0003099900000000, 0.0014955800000000, 0.0031390600000000 ] - [ -0.0000494400000000, 0.0012054400000000, -0.0003974700000000 ] - [ -0.0013849300000000, -0.0008735000000000, 0.0042347600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002354500000000, -0.0003220900000000, -0.0002285200000000 ] - [ 0.0001272800000000, -0.0023399000000000, 0.0276675400000000 ] - [ -0.0001598300000000, -0.0000384600000000, -0.0003132300000000 ] - [ 0.0009448800000000, 0.0012257100000000, 0.0006656600000000 ] - [ 0.0001458200000000, 0.0005724200000000, 0.0001961000000000 ] - [ 0.0000772800000000, 0.0003283800000000, 0.0003629700000000 ] - [ -0.0000668300000000, -0.0002519700000000, -0.0001810000000000 ] - [ -0.0016372300000000, -0.0009438800000000, 0.0003680600000000 ] - [ -0.0006373300000000, -0.0003412800000000, -0.0001459700000000 ] - [ 0.0002200700000000, 0.0000339500000000, 0.0005829100000000 ] - [ 0.0002815500000000, -0.0000492700000000, -0.0006160000000000 ] - [ -0.0002190100000000, 0.0004242700000000, -0.0002298500000000 ] - [ 0.0002489300000000, 0.0004201500000000, 0.0001558100000000 ] - [ -0.0003161200000000, -0.0000654600000000, 0.0004381500000000 ] - [ -0.0001487800000000, 0.0004198500000000, -0.0002477800000000 ] - [ 0.0005724700000000, -0.0002707700000000, -0.0002896800000000 ] - [ -0.0000770700000000, -0.0006383100000000, -0.0003549400000000 ] - [ 0.0006984400000000, -0.0002462600000000, -0.0001787200000000 ] - [ -0.0007519200000000, 0.0003235600000000, -0.0007049000000000 ] - [ 0.0016305600000000, 0.0007054300000000, -0.0003041900000000 ] - [ -0.0007059700000000, -0.0003810700000000, 0.0007675400000000 ] - [ 0.0001927600000000, -0.0003635500000000, -0.0009860600000000 ] - [ 0.0002782900000000, 0.0001001800000000, 0.0007918100000000 ] - [ -0.0001905200000000, -0.0002985700000000, -0.0017099100000000 ] - [ -0.0001420500000000, -0.0015795400000000, -0.0049546600000000 ] - [ 0.0000015300000000, -0.0019195700000000, 0.0023463300000000 ] - [ -0.0000255200000000, -0.0000070600000000, -0.0001712700000000 ] - [ -0.0001341100000000, -0.0001316600000000, -0.0011326700000000 ] - [ -0.0005192900000000, 0.0003109700000000, 0.0002458800000000 ] - [ -0.0001585700000000, 0.0005471800000000, 0.0004412700000000 ] - [ 0.0002507200000000, 0.0004804900000000, 0.0004332100000000 ] - [ 0.0004083200000000, 0.0001515200000000, -0.0008194900000000 ] - [ 0.0011905500000000, 0.0003193500000000, -0.0000137000000000 ] - [ -0.0016080300000000, 0.0003124300000000, -0.0006296500000000 ] - [ -0.0003488000000000, 0.0014580200000000, 0.0020846700000000 ] - [ -0.0001313700000000, -0.0006868800000000, -0.0009773400000000 ] - [ 0.0000950800000000, -0.0052040700000000, 0.0001141200000000 ] - [ 0.0006011900000000, 0.0017512600000000, -0.0005507100000000 ] - [ -0.0004478900000000, 0.0005039000000000, -0.0010477900000000 ] - [ -0.0009745000000000, -0.0008673900000000, -0.0016080900000000 ] - [ 0.0002450900000000, 0.0001790400000000, 0.0008478800000000 ] - [ 0.0044991100000000, -0.0003504300000000, -0.0003550400000000 ] - [ -0.0005310200000000, -0.0000369000000000, 0.0004127700000000 ] - [ 0.0003531000000000, -0.0000386400000000, 0.0000308600000000 ] - [ -0.0003969800000000, -0.0004700000000000, 0.0001389600000000 ] - [ 0.0000118500000000, -0.0005741100000000, -0.0006951400000000 ] - [ -0.0005098300000000, -0.0003550400000000, 0.0010710800000000 ] - [ -0.0044077400000000, -0.0006637800000000, 0.0012168500000000 ] - [ 0.0003727600000000, -0.0001203800000000, -0.0009425300000000 ] - [ 0.0014096400000000, 0.0007316500000000, -0.0016032300000000 ] - [ 0.0009973300000000, 0.0129379400000000, 0.0017693700000000 ] - [ 0.0013150000000000, -0.0020005400000000, -0.0015791000000000 ] - [ 0.0001924100000000, 0.0004410000000000, 0.0001855500000000 ] - [ -0.0000758300000000, -0.0004771000000000, -0.0000585400000000 ] - [ 0.0001956400000000, 0.0000859100000000, -0.0007642500000000 ] - [ -0.0003931100000000, -0.0005621600000000, -0.0004195600000000 ] - [ 0.0009184700000000, -0.0000859900000000, 0.0000190900000000 ] - [ 0.0000564200000000, 0.0004312400000000, -0.0003790700000000 ] - [ -0.0003866300000000, -0.0003060100000000, 0.0002355200000000 ] - [ -0.0012575200000000, -0.0000258200000000, -0.0000197600000000 ] - [ 0.0000509600000000, 0.0001270300000000, 0.0007395400000000 ] - [ -0.0002750100000000, 0.0002392200000000, -0.0003190000000000 ] - [ -0.0002620500000000, 0.0003843100000000, -0.0003416400000000 ] - [ -0.0000720300000000, -0.0007925700000000, -0.0000750000000000 ] - [ 0.0001196700000000, -0.0006753000000000, -0.0000521400000000 ] - [ 0.0001537100000000, 0.0004575500000000, 0.0002211000000000 ] - [ 0.0001229400000000, -0.0000870300000000, 0.0006074000000000 ] - [ -0.0000404200000000, 0.0000881500000000, -0.0004867000000000 ] - [ 0.0006778500000000, -0.0000247500000000, -0.0001424400000000 ] - [ 0.0008644200000000, -0.0000112300000000, 0.0005318300000000 ] - [ -0.0004367600000000, 0.0002924500000000, -0.0003057800000000 ] - [ 0.0003955200000000, -0.0006154400000000, -0.0002211200000000 ] - [ -0.0001187300000000, -0.0000110900000000, -0.0012065000000000 ] - [ -0.0001627300000000, -0.0000879700000000, 0.0002944100000000 ] - [ -0.0039111400000000, 0.0022475800000000, -0.0028397300000000 ] - [ -0.0022994600000000, -0.0027374600000000, -0.0039786900000000 ] - [ 0.0006851200000000, -0.0004832100000000, -0.0004270100000000 ] - [ 0.0005480000000000, -0.0006225700000000, -0.0041712200000000 ] - [ 0.0002277600000000, -0.0009769900000000, 0.0003716600000000 ] - [ 0.0004332200000000, -0.0017882800000000, -0.0004243500000000 ] - [ -0.0006652100000000, 0.0000907600000000, -0.0002226200000000 ] - [ -0.0002393300000000, 0.0006884300000000, 0.0007458900000000 ] - [ 0.0006037800000000, 0.0025954700000000, 0.0012571400000000 ] - [ 0.0001032500000000, -0.0002863700000000, -0.0000822600000000 ] - [ 0.0009287400000000, 0.0005923800000000, -0.0009408200000000 ] - [ 0.0003006700000000, -0.0004486800000000, 0.0004683400000000 ] - [ 0.0013316100000000, 0.0001444800000000, 0.0010509600000000 ] - [ -0.0007773500000000, -0.0003087900000000, 0.0006554000000000 ] - [ -0.0001221400000000, 0.0006021300000000, 0.0009757500000000 ] - [ -0.0002513800000000, -0.0002671100000000, -0.0004747000000000 ] - [ 0.0004162400000000, 0.0005798100000000, 0.0005729900000000 ] - [ -0.0001605900000000, -0.0001204000000000, -0.0004920900000000 ] - [ -0.0008199300000000, -0.0003081600000000, -0.0028839200000000 ] - [ -0.0005743900000000, 0.0008821000000000, -0.0000922500000000 ] - [ 0.0017840500000000, -0.0001686800000000, 0.0008896400000000 ] - [ -0.0008187300000000, 0.0000675900000000, 0.0006993200000000 ] - [ -0.0004141600000000, -0.0003689500000000, 0.0004906000000000 ] - [ -0.0000882900000000, 0.0001082000000000, 0.0000898900000000 ] - [ 0.0006936400000000, 0.0000709800000000, 0.0005415100000000 ] - [ -0.0007648600000000, -0.0006899100000000, 0.0003366800000000 ] - [ 0.0004646900000000, 0.0002838300000000, 0.0002956500000000 ] - [ 0.0000635200000000, -0.0002769700000000, -0.0005607600000000 ] - [ 0.0009414000000000, -0.0001327300000000, 0.0002504800000000 ] - [ -0.0001622400000000, 0.0000893500000000, -0.0005982200000000 ] - [ -0.0001419100000000, 0.0004808400000000, -0.0007785900000000 ] - [ -0.0002143600000000, 0.0003095200000000, -0.0001267900000000 ] - [ -0.0010687500000000, 0.0003445000000000, -0.0008541600000000 ] - [ -0.0004169700000000, 0.0000144000000000, -0.0003533700000000 ] - [ 0.0000185000000000, -0.0000287700000000, -0.0002348200000000 ] - [ 0.0007382600000000, 0.0002730700000000, 0.0001796400000000 ] - [ 0.0001058800000000, -0.0000057100000000, 0.0000417500000000 ] - [ -0.0001837400000000, 0.0003627100000000, -0.0002005200000000 ] - [ 0.0002823100000000, -0.0002640100000000, 0.0009382500000000 ] - [ -0.0005880900000000, 0.0007001600000000, 0.0001394600000000 ] - [ 0.0006351300000000, 0.0005930900000000, 0.0001261600000000 ] - [ -0.0000486000000000, -0.0003028000000000, -0.0004748800000000 ] - [ 0.0003247200000000, 0.0006709800000000, -0.0000616600000000 ] - [ -0.0001411200000000, -0.0001545700000000, 0.0000122100000000 ] - [ -0.0004535900000000, 0.0003245400000000, 0.0001610700000000 ] - [ 0.0001670600000000, -0.0002036000000000, 0.0002017600000000 ] - [ 0.0003318300000000, 0.0003346600000000, -0.0000503900000000 ] - [ 0.0001396000000000, 0.0002401900000000, 0.0003133400000000 ] - [ -0.0001298700000000, 0.0003941400000000, 0.0003741400000000 ] - [ 0.0001564000000000, 0.0008496900000000, 0.0003030700000000 ] - [ 0.0008647900000000, -0.0002529400000000, -0.0006017700000000 ] - [ -0.0001725600000000, 0.0001125000000000, -0.0000420400000000 ] - [ 0.0003253500000000, -0.0000726400000000, -0.0001025000000000 ] - [ -0.0002430200000000, 0.0002068100000000, 0.0004448200000000 ] - [ 0.0001392300000000, -0.0008094000000000, -0.0007125200000000 ] - [ -0.0004567900000000, 0.0001911600000000, 0.0002275400000000 ] - [ -0.0000654300000000, 0.0002262000000000, 0.0007912100000000 ] - [ 0.0003422900000000, -0.0002008900000000, 0.0001936200000000 ] - [ -0.0003560900000000, 0.0000863200000000, -0.0010277700000000 ] - [ -0.0005575700000000, -0.0000110500000000, -0.0005030600000000 ] - [ -0.0006071900000000, 0.0002165000000000, -0.0007283900000000 ] - [ -0.0000772800000000, -0.0000743500000000, -0.0001356200000000 ] - [ 0.0031327800000000, -0.0011918600000000, -0.0009760200000000 ] - [ 0.0000310200000000, 0.0001327100000000, 0.0012523200000000 ] - [ 0.0011155000000000, 0.0001406400000000, -0.0024914900000000 ] - [ -0.0002218300000000, 0.0001645900000000, 0.0006026500000000 ] - [ -0.0009001700000000, -0.0015566500000000, -0.0011918600000000 ] - [ -0.0000643400000000, 0.0000225100000000, 0.0008249800000000 ] - [ -0.0001178800000000, -0.0007886600000000, 0.0012865700000000 ] - [ 0.0005729400000000, 0.0020215800000000, 0.0016808200000000 ] - [ -0.0013352900000000, -0.0000571000000000, 0.0020009900000000 ] - [ -0.0003070700000000, 0.0006153500000000, 0.0011695400000000 ] - [ -0.0004683400000000, 0.0007768800000000, 0.0002525500000000 ] - [ 0.0000167700000000, -0.0010799800000000, -0.0034352600000000 ] - [ 0.0001050100000000, -0.0005676300000000, 0.0007857300000000 ] - [ -0.0003586100000000, -0.0027257900000000, -0.0030046100000000 ] - [ 0.0002506900000000, -0.0006308100000000, -0.0006916900000000 ] - [ 0.0000179400000000, -0.0003501600000000, -0.0046492600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001170400000000, 0.0002655900000000, -0.0000783300000000 ] - [ -0.0016852900000000, -0.0010414800000000, -0.0001434900000000 ] - [ -0.0025142400000000, -0.0027227900000000, 0.0007436200000000 ] - [ 0.0004575000000000, 0.0004113600000000, -0.0003494500000000 ] - [ 0.0000305300000000, 0.0005998600000000, 0.0004780600000000 ] - [ 0.0000574900000000, -0.0007900100000000, -0.0002246700000000 ] - [ -0.0005071300000000, -0.0006103000000000, 0.0012271700000000 ] - [ 0.0032555300000000, 0.0011835200000000, -0.0025813200000000 ] - [ 0.0003429600000000, 0.0008125000000000, 0.0002735800000000 ] - [ 0.0003470300000000, 0.0001516300000000, 0.0003223300000000 ] - [ 0.0007196100000000, -0.0001713400000000, -0.0004464300000000 ] - [ 0.0004873900000000, 0.0004105200000000, 0.0000345900000000 ] - [ 0.0005273800000000, 0.0004350300000000, 0.0000644000000000 ] - [ 0.0025009000000000, -0.0002409400000000, 0.0005384600000000 ] - [ 0.0002144500000000, 0.0000953100000000, -0.0004189500000000 ] - [ 0.0014218800000000, 0.0009667800000000, -0.0003124500000000 ] - [ 0.0000979700000000, -0.0004392700000000, -0.0003814400000000 ] - [ 0.0002345400000000, -0.0006205400000000, -0.0000101000000000 ] - [ -0.0002207100000000, -0.0006716100000000, -0.0013218600000000 ] - [ 0.0038644400000000, 0.0022016000000000, 0.0029398800000000 ] - [ -0.0002734200000000, 0.0005604300000000, 0.0003234800000000 ] - [ -0.0018807000000000, -0.0035755200000000, -0.0006052100000000 ] - [ 0.0000991100000000, 0.0001949500000000, 0.0004220000000000 ] - [ -0.0036966300000000, 0.0000805000000000, -0.0011311700000000 ] - [ -0.1073735200000000, 0.0080780900000000, -0.0002014300000000 ] - [ -0.0014604800000000, 0.0000291200000000, 0.0012121500000000 ] - [ 0.0013933600000000, 0.0011616200000000, -0.0003505700000000 ] - [ 0.0006306900000000, 0.0012915900000000, 0.0020989100000000 ] - [ 0.0021664400000000, -0.0020964700000000, 0.0000475400000000 ] - [ 0.0001621000000000, 0.0005508300000000, 0.0002882900000000 ] - [ 0.0016655400000000, 0.0006159800000000, -0.0005706900000000 ] - [ 0.0031674700000000, -0.0019973600000000, 0.0003167600000000 ] - [ 0.0015723200000000, 0.0007135400000000, -0.0000293500000000 ] - [ 0.0001911300000000, 0.0027182200000000, -0.0019961600000000 ] - [ -0.0010695300000000, -0.0003493000000000, -0.0012146400000000 ] - [ -0.0011155900000000, -0.0005125400000000, -0.0000927600000000 ] - [ -0.0101641700000000, 0.0051783800000000, -0.0051576300000000 ] - [ -0.0021253200000000, -0.0000440500000000, -0.0002608400000000 ] - [ -0.0015476700000000, -0.0004221600000000, -0.0000437300000000 ] - [ 0.0204418400000000, 0.0057332300000000, 0.0187411900000000 ] - [ 0.0001608500000000, 0.0008218900000000, -0.0000021100000000 ] - [ 0.0008451300000000, -0.0016771400000000, -0.0005537900000000 ] - [ 0.0023694300000000, 0.0001478400000000, 0.0005131900000000 ] - [ 0.0024887700000000, 0.0004874400000000, 0.0004176700000000 ] - [ 0.0027523200000000, -0.0007980400000000, -0.0011515400000000 ] - [ 0.0025592400000000, -0.0002228800000000, 0.0003603900000000 ] - [ -0.0001504700000000, -0.0000868600000000, 0.0006760500000000 ] - [ 0.0001105200000000, -0.0008827600000000, 0.0001102100000000 ] - [ 0.0000613600000000, -0.0002840500000000, -0.0005082200000000 ] - [ 0.0233726000000000, -0.0000307800000000, -0.0130054500000000 ] - [ -0.0026849700000000, 0.0107669800000000, 0.0020110300000000 ] - [ -0.0015598500000000, 0.0002265300000000, 0.0005076900000000 ] - [ -0.0004218800000000, 0.0016338700000000, -0.0002259100000000 ] - [ 0.0000809400000000, -0.0002411900000000, -0.0002105100000000 ] - [ -0.0006267100000000, 0.0008780400000000, -0.0001272600000000 ] - [ 0.0003630100000000, 0.0027078600000000, 0.0028449200000000 ] - [ 0.0003863600000000, 0.0000613800000000, 0.0002303000000000 ] - [ 0.0052462800000000, -0.0041093600000000, -0.0046921600000000 ] - [ -0.0003716900000000, -0.0002495000000000, 0.0001722600000000 ] - [ 0.0014571700000000, -0.0004109200000000, 0.0008699300000000 ] - [ 0.0001043400000000, 0.0001709600000000, 0.0005924400000000 ] - [ -0.0001393200000000, 0.0001541300000000, -0.0005169800000000 ] - [ 0.0016181200000000, 0.0014680100000000, 0.0004374600000000 ] - [ 0.0001955300000000, -0.0005475700000000, 0.0002971900000000 ] - [ 0.0002568800000000, -0.0006113600000000, -0.0000678900000000 ] - [ 0.0004844100000000, 0.0002958800000000, 0.0003544900000000 ] - [ 0.0004376100000000, 0.0004124600000000, 0.0003443500000000 ] - [ 0.0001882200000000, 0.0000591100000000, -0.0008350900000000 ] - [ 0.0009651500000000, -0.0001379500000000, -0.0001063100000000 ] - [ 0.0012877500000000, 0.0002144100000000, 0.0004979800000000 ] - [ -0.0005394500000000, 0.0000339100000000, -0.0001826700000000 ] - [ -0.0017694500000000, -0.0013673300000000, 0.0015418400000000 ] - [ -0.0003508100000000, 0.0000401800000000, -0.0014613500000000 ] - [ -0.0001635300000000, 0.0003009900000000, 0.0007442900000000 ] - [ -0.0002973900000000, -0.0004925900000000, 0.0000621900000000 ] - [ -0.0002433400000000, 0.0007039100000000, -0.0000429500000000 ] - [ 0.0010728900000000, -0.0015091900000000, 0.0000416700000000 ] - [ 0.0017954400000000, -0.0021091900000000, -0.0033006500000000 ] - [ 0.0008546300000000, -0.0004521100000000, 0.0001858400000000 ] - [ 0.0025999300000000, -0.0021142200000000, 0.0013341100000000 ] - [ 0.0002139200000000, -0.0004737400000000, -0.0004335000000000 ] - [ 0.0015695600000000, 0.0004968000000000, -0.0010233300000000 ] - [ 0.0177132200000000, 0.0142315700000000, -0.0069453000000000 ] - [ 0.0012566800000000, -0.0001258900000000, -0.0008279000000000 ] - [ 0.0002243300000000, -0.0032291700000000, 0.0017324600000000 ] - [ 0.0012457600000000, -0.0022010900000000, -0.0021154000000000 ] - [ 0.0303593700000000, -0.0243771100000000, 0.0170263500000000 ] - [ 0.0007591900000000, -0.0007221800000000, -0.0001118500000000 ] - [ -0.0004819600000000, -0.0033253300000000, -0.0059544000000000 ] - [ -0.0001649700000000, -0.0003965900000000, -0.0000598800000000 ] - [ 0.0004993600000000, 0.0003726100000000, 0.0003462900000000 ] - [ 0.0000594100000000, -0.0005590200000000, 0.0000741600000000 ] - [ 0.0000935200000000, 0.0002060100000000, 0.0007102700000000 ] - [ 0.0009884600000000, 0.0009782400000000, 0.0001726500000000 ] - [ -0.0030553900000000, 0.0023565200000000, 0.0033469600000000 ] - [ -0.0004513900000000, 0.0000134700000000, 0.0004293900000000 ] - [ -0.0004356200000000, 0.0013268000000000, 0.0002239500000000 ] - [ -0.0002515700000000, 0.0002339500000000, -0.0004195400000000 ] - [ -0.0054133200000000, 0.0022519900000000, -0.0037922200000000 ] - [ -0.0006041000000000, -0.0001881400000000, -0.0005808500000000 ] - [ -0.0051494300000000, -0.0020824700000000, -0.0019351500000000 ] - [ -0.0001573500000000, -0.0007452100000000, 0.0002155800000000 ] - [ -0.0010075400000000, -0.0005129900000000, 0.0005295200000000 ] - [ -0.0003611100000000, -0.0000846100000000, -0.0002913300000000 ] - [ -0.0003262000000000, 0.0005575700000000, -0.0004586500000000 ] - [ -0.0015779600000000, -0.0005308900000000, -0.0010400200000000 ] - [ -0.0010938200000000, 0.0004287200000000, -0.0005873100000000 ] - [ -0.0008718900000000, -0.0000430100000000, -0.0003311200000000 ] - [ -0.0009034200000000, 0.0001518100000000, 0.0001517700000000 ] - [ -0.0022151100000000, 0.0011814600000000, 0.0006978500000000 ] - [ -0.0006686900000000, 0.0001227900000000, -0.0003525000000000 ] - [ -0.0015912700000000, 0.0003512600000000, 0.0003967200000000 ] - [ -0.0012671400000000, 0.0000458500000000, -0.0002219700000000 ] - [ -0.0025934300000000, -0.0001571200000000, -0.0005506400000000 ] - [ 0.0002096400000000, 0.0006686800000000, 0.0000496300000000 ] - [ -0.0019621000000000, -0.0004219700000000, -0.0014240500000000 ] - [ -0.0001744600000000, 0.0004972300000000, -0.0001422500000000 ] - [ -0.0010381100000000, -0.0002983600000000, 0.0002998300000000 ] - [ -0.0016744100000000, 0.0005493300000000, 0.0005764500000000 ] - [ -0.0008282100000000, 0.0000653200000000, -0.0000087600000000 ] - [ -0.0008803900000000, -0.0002217700000000, 0.0005371800000000 ] - [ -0.0000775000000000, 0.0001906300000000, 0.0004119800000000 ] - [ -0.0013732800000000, 0.0005167100000000, 0.0002306200000000 ] - [ -0.0003078700000000, 0.0004789300000000, 0.0007354100000000 ] - [ -0.0008655200000000, 0.0000365500000000, 0.0001026300000000 ] - [ -0.0020643800000000, -0.0010705700000000, -0.0000731900000000 ] - [ -0.0006154100000000, -0.0003513500000000, 0.0008026700000000 ] - [ -0.0004167300000000, 0.0001239200000000, 0.0003182400000000 ] - [ -0.0000060000000000, -0.0009072900000000, -0.0005459700000000 ] - [ -0.0005648300000000, 0.0008798200000000, -0.0002323100000000 ] - [ -0.0057553100000000, -0.0012815100000000, 0.0011746200000000 ] - [ -0.0047778300000000, 0.0045371800000000, 0.0015473900000000 ] - [ -0.0004374900000000, 0.0011683300000000, -0.0027490800000000 ] - [ -0.0007298200000000, 0.0004138600000000, -0.0005205900000000 ] - [ -0.0003557800000000, 0.0002158600000000, -0.0002528800000000 ] - [ -0.0002255800000000, -0.0003601300000000, 0.0001444400000000 ] - [ 0.0007284400000000, 0.0005074900000000, 0.0003225900000000 ] - [ -0.0028916800000000, -0.0021694500000000, 0.0065158200000000 ] - [ -0.0002027100000000, 0.0001226200000000, -0.0006479200000000 ] - [ -0.0000520100000000, -0.0002144700000000, 0.0001410800000000 ] - [ -0.0005371100000000, -0.0021489600000000, -0.0009524200000000 ] - [ 0.0002804000000000, 0.0003327900000000, 0.0004974800000000 ] - [ 0.0005729400000000, -0.0018514100000000, 0.0012958300000000 ] - [ 0.0010631000000000, -0.0011074200000000, 0.0002760100000000 ] - [ 0.0263632200000000, -0.0165315400000000, -0.0316552000000000 ] - [ 0.0002667400000000, -0.0002206300000000, 0.0006777800000000 ] - [ 0.0035398600000000, -0.0016392000000000, -0.0005895400000000 ] - [ 0.0038968600000000, 0.0003454100000000, 0.0020845500000000 ] - [ 0.0016658900000000, 0.0010762800000000, 0.0011256600000000 ] - [ 0.0103159900000000, 0.0112291100000000, 0.0214939900000000 ] - [ 0.0006435000000000, 0.0004359500000000, -0.0001405600000000 ] - [ -0.0001663300000000, -0.0005341100000000, 0.0002453600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005883200000000, -0.0010956200000000, -0.0000756200000000 ] - [ 0.0010881100000000, 0.0011342600000000, -0.0008460700000000 ] - [ 0.0023553400000000, 0.0022616900000000, 0.0000827000000000 ] - [ 0.0005414400000000, 0.0001884600000000, 0.0004403700000000 ] - [ 0.0000609000000000, 0.0004006100000000, 0.0001228200000000 ] - [ 0.0007700400000000, 0.0009367900000000, 0.0006963700000000 ] - [ -0.0003203700000000, 0.0004577200000000, -0.0007569200000000 ] - [ -0.0033234500000000, -0.0021641100000000, 0.0031552700000000 ] - [ -0.0013437600000000, -0.0014072400000000, -0.0001841500000000 ] - [ -0.0001947600000000, 0.0003173500000000, 0.0005058200000000 ] - [ -0.0001205000000000, 0.0000804200000000, -0.0005537900000000 ] - [ -0.0009556300000000, 0.0004165900000000, -0.0001873600000000 ] - [ -0.0000575500000000, 0.0003933800000000, 0.0000881600000000 ] - [ -0.0030996900000000, 0.0001507700000000, 0.0004614100000000 ] - [ -0.0003661100000000, 0.0003754800000000, -0.0004115100000000 ] - [ -0.0004216800000000, -0.0015716400000000, 0.0002259400000000 ] - [ -0.0000068000000000, -0.0005611300000000, -0.0002186300000000 ] - [ 0.0005973800000000, 0.0004732700000000, -0.0004613300000000 ] - [ -0.0006065700000000, 0.0008250000000000, 0.0008504100000000 ] - [ -0.0039855700000000, -0.0012213100000000, -0.0035684700000000 ] - [ -0.0007251100000000, 0.0000375400000000, -0.0004117000000000 ] - [ 0.0020425100000000, 0.0031056800000000, -0.0002275100000000 ] - [ 0.0004991700000000, -0.0001040600000000, 0.0005806000000000 ] - [ 0.0032289200000000, -0.0009098900000000, 0.0012785800000000 ] - [ 0.1066967900000000, -0.0089970400000000, -0.0017464700000000 ] - [ 0.0020967200000000, -0.0004534200000000, -0.0001051600000000 ] - [ -0.0002962400000000, -0.0005246900000000, -0.0000772800000000 ] - [ -0.0017357100000000, -0.0019258000000000, -0.0025202200000000 ] - [ -0.0028085900000000, 0.0025211600000000, 0.0010645200000000 ] - [ -0.0005866400000000, 0.0005551300000000, 0.0003504500000000 ] - [ -0.0012407300000000, 0.0004915800000000, -0.0000710100000000 ] - [ -0.0025290300000000, 0.0024227200000000, -0.0014190500000000 ] - [ -0.0004621700000000, -0.0013535400000000, 0.0004532200000000 ] - [ -0.0012955600000000, -0.0020810800000000, 0.0024230300000000 ] - [ 0.0004358000000000, -0.0000761700000000, 0.0001128500000000 ] - [ 0.0006942300000000, -0.0005933000000000, -0.0005462700000000 ] - [ 0.0095277400000000, -0.0045677300000000, 0.0058652300000000 ] - [ 0.0026699500000000, 0.0005921700000000, 0.0008081300000000 ] - [ 0.0006329500000000, 0.0013317300000000, -0.0008711900000000 ] - [ -0.0208357600000000, -0.0063443500000000, -0.0181146400000000 ] - [ 0.0003405600000000, -0.0003228800000000, 0.0005042600000000 ] - [ 0.0000640600000000, 0.0007655900000000, -0.0003596200000000 ] - [ -0.0029205300000000, -0.0006878900000000, 0.0000329600000000 ] - [ -0.0018173100000000, -0.0011525600000000, 0.0002532800000000 ] - [ -0.0034165600000000, 0.0001244000000000, 0.0004812600000000 ] - [ -0.0020124100000000, -0.0003252700000000, -0.0009055500000000 ] - [ -0.0007584000000000, -0.0008242400000000, 0.0002348700000000 ] - [ -0.0006082900000000, 0.0013860100000000, -0.0006175900000000 ] - [ 0.0004455700000000, -0.0002185000000000, 0.0000062200000000 ] - [ -0.0225238800000000, 0.0010105900000000, 0.0140668200000000 ] - [ 0.0021480800000000, -0.0101923000000000, -0.0025365400000000 ] - [ 0.0022310100000000, 0.0004420000000000, -0.0011774200000000 ] - [ 0.0006180000000000, -0.0001849200000000, 0.0002715000000000 ] - [ 0.0002068400000000, -0.0006738100000000, -0.0002548700000000 ] - [ 0.0010868500000000, -0.0011631900000000, -0.0007892400000000 ] - [ -0.0004223600000000, -0.0028956100000000, -0.0013957700000000 ] - [ 0.0010674600000000, -0.0000167700000000, -0.0000373400000000 ] - [ -0.0042970900000000, 0.0045291700000000, 0.0049650000000000 ] - [ -0.0005421500000000, -0.0002166200000000, 0.0001163700000000 ] - [ -0.0028992500000000, 0.0003655800000000, -0.0006695700000000 ] - [ -0.0000593200000000, 0.0000226000000000, 0.0008613100000000 ] - [ -0.0003270200000000, 0.0001361700000000, -0.0003967400000000 ] - [ -0.0019127900000000, -0.0005599900000000, -0.0009030200000000 ] - [ -0.0003878900000000, -0.0009043500000000, -0.0002512100000000 ] - [ -0.0000633400000000, -0.0008432900000000, 0.0000238700000000 ] - [ -0.0001936700000000, 0.0006179900000000, 0.0001119400000000 ] - [ 0.0000290900000000, -0.0001223700000000, 0.0005692900000000 ] - [ -0.0002314600000000, 0.0001336600000000, -0.0006200900000000 ] - [ 0.0004899500000000, 0.0000936200000000, -0.0000862200000000 ] - [ -0.0003796900000000, -0.0006862500000000, -0.0007937400000000 ] - [ -0.0003742800000000, 0.0004322000000000, -0.0001061700000000 ] - [ 0.0003280600000000, 0.0014199900000000, -0.0017454600000000 ] - [ 0.0003956300000000, -0.0002328500000000, 0.0000082600000000 ] - [ -0.0003016500000000, -0.0005901000000000, 0.0001693200000000 ] - [ 0.0000094500000000, -0.0004212400000000, 0.0004041100000000 ] - [ 0.0000508900000000, 0.0007496400000000, -0.0000014800000000 ] - [ 0.0002118500000000, 0.0002716600000000, -0.0002196500000000 ] - [ -0.0020094000000000, 0.0026948800000000, 0.0043847500000000 ] - [ -0.0002693600000000, -0.0006330300000000, 0.0000235900000000 ] - [ -0.0028864100000000, 0.0023987300000000, -0.0016292200000000 ] - [ -0.0009803600000000, -0.0003066600000000, 0.0006568500000000 ] - [ -0.0015082600000000, -0.0004376800000000, 0.0009653500000000 ] - [ -0.0169937900000000, -0.0140355500000000, 0.0059456000000000 ] - [ -0.0006994700000000, -0.0003839900000000, -0.0002056400000000 ] - [ 0.0000047700000000, 0.0024842100000000, -0.0025309200000000 ] - [ -0.0010569900000000, 0.0009161100000000, 0.0008798000000000 ] - [ -0.0285245000000000, 0.0231478300000000, -0.0166082200000000 ] - [ -0.0018434900000000, 0.0009326700000000, 0.0006975900000000 ] - [ 0.0005266000000000, 0.0040684500000000, 0.0055727900000000 ] - [ -0.0002082300000000, 0.0000219400000000, -0.0003165400000000 ] - [ 0.0000080400000000, 0.0006735500000000, 0.0002167400000000 ] - [ -0.0008003000000000, 0.0001837500000000, -0.0001132500000000 ] - [ 0.0002248000000000, -0.0005215300000000, -0.0010233000000000 ] - [ 0.0000568200000000, -0.0004162400000000, 0.0003334800000000 ] - [ 0.0042883100000000, -0.0021648400000000, -0.0020587400000000 ] - [ -0.0007887200000000, -0.0001886100000000, 0.0008557500000000 ] - [ -0.0005888000000000, -0.0018782900000000, 0.0002897600000000 ] - [ -0.0000613200000000, 0.0000816400000000, 0.0001057700000000 ] - [ 0.0061934400000000, -0.0018832000000000, 0.0037614500000000 ] - [ 0.0000972400000000, -0.0008492600000000, 0.0011390500000000 ] - [ 0.0055097300000000, 0.0024719400000000, 0.0015302800000000 ] - [ 0.0001232000000000, 0.0000023800000000, -0.0005941100000000 ] - [ 0.0021023600000000, 0.0002897600000000, 0.0000616000000000 ] - [ -0.0000024400000000, 0.0000339700000000, -0.0004584200000000 ] - [ 0.0001506600000000, 0.0007254200000000, -0.0007845700000000 ] - [ 0.0013484900000000, 0.0012935100000000, 0.0002598400000000 ] - [ 0.0005387300000000, 0.0000802500000000, -0.0004461700000000 ] - [ 0.0001013200000000, 0.0002801900000000, -0.0004289800000000 ] - [ 0.0008429000000000, -0.0002088700000000, -0.0002103400000000 ] - [ 0.0029732200000000, -0.0004076800000000, -0.0004657800000000 ] - [ 0.0009626900000000, -0.0004158700000000, 0.0000593200000000 ] - [ 0.0010060300000000, 0.0007301400000000, -0.0001853000000000 ] - [ 0.0014693900000000, -0.0006249600000000, 0.0013066100000000 ] - [ 0.0013115900000000, 0.0014023200000000, 0.0003717000000000 ] - [ 0.0010739000000000, 0.0005745900000000, 0.0001252800000000 ] - [ 0.0017485300000000, -0.0001690800000000, 0.0003357800000000 ] - [ 0.0007538000000000, 0.0005865800000000, -0.0000589500000000 ] - [ 0.0007484200000000, 0.0000043300000000, -0.0000079100000000 ] - [ 0.0009084400000000, 0.0002310500000000, -0.0008039800000000 ] - [ 0.0008904000000000, -0.0001277500000000, 0.0000713300000000 ] - [ 0.0016579100000000, 0.0004532600000000, 0.0002300900000000 ] - [ 0.0006297200000000, 0.0003225600000000, 0.0006159200000000 ] - [ 0.0015932300000000, 0.0002543800000000, 0.0005516600000000 ] - [ 0.0004842700000000, 0.0008051200000000, 0.0005081400000000 ] - [ 0.0012375100000000, -0.0000772100000000, 0.0006502600000000 ] - [ 0.0009729600000000, 0.0008505100000000, -0.0005182800000000 ] - [ 0.0006515800000000, -0.0003913400000000, -0.0004225600000000 ] - [ 0.0000398800000000, 0.0002527900000000, 0.0000580200000000 ] - [ 0.0005092200000000, -0.0001372200000000, -0.0000153500000000 ] - [ -0.0001817800000000, -0.0005065300000000, 0.0002726000000000 ] - [ 0.0060838800000000, 0.0015883500000000, -0.0008865900000000 ] - [ 0.0057927700000000, -0.0050834800000000, -0.0020588700000000 ] - [ 0.0016900700000000, -0.0013528300000000, 0.0014803600000000 ] - [ -0.0005125700000000, -0.0002383800000000, -0.0007657900000000 ] - [ -0.0006792000000000, 0.0003399300000000, -0.0002589800000000 ] - [ -0.0000891600000000, 0.0000463300000000, 0.0001698100000000 ] - [ 0.0000164300000000, -0.0008783100000000, -0.0002751400000000 ] - [ 0.0023802500000000, 0.0032021700000000, -0.0070710300000000 ] - [ 0.0005756300000000, -0.0004976800000000, 0.0010263800000000 ] - [ 0.0000133900000000, 0.0009585000000000, 0.0002376200000000 ] - [ 0.0016146300000000, 0.0023623200000000, 0.0003637000000000 ] - [ -0.0006522700000000, -0.0002868500000000, 0.0002494600000000 ] - [ -0.0007524600000000, 0.0005688600000000, -0.0000533500000000 ] - [ -0.0012863500000000, 0.0003396900000000, 0.0005059400000000 ] - [ -0.0277490900000000, 0.0167243400000000, 0.0341972800000000 ] - [ -0.0010411700000000, -0.0000102000000000, 0.0000860300000000 ] - [ -0.0036115600000000, 0.0017087300000000, 0.0006496800000000 ] - [ -0.0031519300000000, -0.0011152700000000, -0.0023305200000000 ] - [ -0.0013746900000000, -0.0007859300000000, -0.0008341500000000 ] - [ -0.0105301600000000, -0.0122958000000000, -0.0217691900000000 ] - [ -0.0004374400000000, 0.0001460700000000, -0.0009483700000000 ] - [ -0.0011178900000000, -0.0007072600000000, -0.0000693900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004539600000000, 0.0023275600000000, -0.0000060700000000 ] - [ -0.0007715900000000, -0.0032313400000000, 0.0005263800000000 ] - [ -0.0014105000000000, 0.0038433600000000, -0.0023144000000000 ] - [ 0.0010798500000000, 0.0001422000000000, -0.0009999000000000 ] - [ 0.0001806900000000, 0.0008066200000000, 0.0003593200000000 ] - [ -0.0006071600000000, 0.0012169600000000, 0.0004987400000000 ] - [ -0.0005367900000000, -0.0000117800000000, -0.0002425000000000 ] - [ 0.0026304500000000, -0.0031369300000000, -0.0000443900000000 ] - [ 0.0005551200000000, -0.0005529000000000, 0.0004215500000000 ] - [ 0.0000156900000000, 0.0003108600000000, 0.0005470800000000 ] - [ 0.0002741000000000, 0.0002503400000000, -0.0005058800000000 ] - [ -0.0003829700000000, 0.0002130500000000, -0.0001366100000000 ] - [ 0.0003396200000000, 0.0008298900000000, 0.0001085400000000 ] - [ -0.0009993100000000, -0.0004076400000000, 0.0005738600000000 ] - [ -0.0001656100000000, 0.0001921800000000, -0.0005390400000000 ] - [ 0.0009161500000000, -0.0005506200000000, -0.0003190300000000 ] - [ 0.0001344300000000, -0.0002352600000000, -0.0003451200000000 ] - [ -0.0008591600000000, 0.0005936200000000, -0.0005194500000000 ] - [ -0.0006364000000000, 0.0001609900000000, 0.0000770400000000 ] - [ 0.0028822800000000, -0.0012820700000000, -0.0001592100000000 ] - [ 0.0001375400000000, 0.0005362900000000, 0.0008568100000000 ] - [ -0.0019262400000000, 0.0027800600000000, 0.0028310100000000 ] - [ 0.0002869000000000, 0.0007337800000000, 0.0003671900000000 ] - [ 0.0007695300000000, -0.0018069300000000, 0.0002534800000000 ] - [ 0.0082089900000000, -0.1070417800000000, -0.0310809500000000 ] - [ -0.0017433600000000, 0.0008061400000000, 0.0021488000000000 ] - [ 0.0032057100000000, 0.0029123000000000, 0.0004498600000000 ] - [ -0.0006137300000000, -0.0014067000000000, -0.0007219800000000 ] - [ -0.0013172200000000, 0.0013975400000000, 0.0006157200000000 ] - [ -0.0002139200000000, 0.0009253400000000, 0.0001827000000000 ] - [ 0.0001500500000000, -0.0003163100000000, -0.0003677100000000 ] - [ -0.0004785700000000, 0.0009494200000000, -0.0005328500000000 ] - [ 0.0021474500000000, 0.0022483400000000, -0.0004491600000000 ] - [ -0.0005343400000000, -0.0009878900000000, 0.0010775400000000 ] - [ -0.0019917400000000, 0.0006326200000000, -0.0032090900000000 ] - [ -0.0002510100000000, 0.0008709500000000, -0.0003152000000000 ] - [ -0.0086687500000000, 0.0207983500000000, -0.0180633200000000 ] - [ 0.0013974500000000, 0.0009309700000000, 0.0002529300000000 ] - [ -0.0003459500000000, 0.0035668100000000, 0.0001042500000000 ] - [ -0.0082598800000000, -0.0118143600000000, -0.0073442000000000 ] - [ -0.0001212300000000, 0.0024300900000000, 0.0001226900000000 ] - [ 0.0005549300000000, -0.0021281500000000, -0.0007890800000000 ] - [ 0.0009539600000000, -0.0015569400000000, 0.0003162500000000 ] - [ -0.0000866400000000, -0.0005297300000000, 0.0004252500000000 ] - [ -0.0007188000000000, -0.0002826100000000, 0.0002981000000000 ] - [ -0.0002891400000000, 0.0001455200000000, -0.0007345100000000 ] - [ -0.0009037900000000, 0.0016206700000000, 0.0007602100000000 ] - [ 0.0001089800000000, -0.0020888200000000, 0.0006533400000000 ] - [ 0.0001763300000000, 0.0023578800000000, -0.0005481700000000 ] - [ -0.0063687700000000, -0.0022909900000000, 0.0024274700000000 ] - [ 0.0030291300000000, 0.0209120600000000, 0.0129376300000000 ] - [ 0.0015044000000000, 0.0006613200000000, -0.0009041200000000 ] - [ -0.0007861600000000, 0.0030225700000000, -0.0007157700000000 ] - [ 0.0004143000000000, 0.0004012300000000, -0.0000432300000000 ] - [ 0.0017268700000000, -0.0024404700000000, 0.0018760700000000 ] - [ 0.0040999600000000, 0.0045208700000000, 0.0062989100000000 ] - [ 0.0004666600000000, 0.0002235100000000, 0.0001583400000000 ] - [ -0.0038225800000000, 0.0012835900000000, 0.0024239200000000 ] - [ -0.0005673500000000, -0.0001288500000000, -0.0000094500000000 ] - [ -0.0018829800000000, 0.0001635000000000, -0.0004269300000000 ] - [ 0.0000522400000000, 0.0001575000000000, 0.0005788000000000 ] - [ -0.0001064000000000, 0.0002616700000000, -0.0005372000000000 ] - [ -0.0010880100000000, -0.0002668100000000, -0.0005145200000000 ] - [ -0.0000633600000000, -0.0010688900000000, -0.0000822400000000 ] - [ 0.0002151000000000, -0.0002691100000000, -0.0001295800000000 ] - [ -0.0000797500000000, 0.0007009600000000, 0.0001706700000000 ] - [ 0.0002035800000000, -0.0000943800000000, 0.0006151200000000 ] - [ 0.0001306500000000, 0.0000568000000000, -0.0005898100000000 ] - [ 0.0006634600000000, 0.0000565200000000, -0.0000882200000000 ] - [ -0.0000697800000000, -0.0006463900000000, -0.0008114300000000 ] - [ -0.0005050000000000, 0.0003728700000000, -0.0001073600000000 ] - [ -0.0025140800000000, -0.0008665100000000, -0.0002704800000000 ] - [ -0.0002567200000000, 0.0000925300000000, -0.0017569600000000 ] - [ 0.0002423100000000, 0.0009910700000000, 0.0007533500000000 ] - [ 0.0000262200000000, -0.0007989600000000, 0.0002101200000000 ] - [ -0.0000850600000000, 0.0003502900000000, 0.0001360600000000 ] - [ 0.0009908500000000, -0.0033268600000000, 0.0001798500000000 ] - [ 0.0014802600000000, -0.0022981000000000, -0.0049587200000000 ] - [ 0.0001618900000000, -0.0014455900000000, 0.0003064400000000 ] - [ 0.0005346900000000, -0.0054067000000000, -0.0015619500000000 ] - [ -0.0003682600000000, -0.0009628700000000, -0.0002640100000000 ] - [ -0.0004193400000000, -0.0002689000000000, 0.0010615900000000 ] - [ 0.0191627400000000, 0.0258245600000000, -0.0130747100000000 ] - [ 0.0004377100000000, -0.0015581700000000, -0.0004071600000000 ] - [ -0.0021136800000000, -0.0068353800000000, 0.0039589700000000 ] - [ -0.0029952600000000, -0.0018901700000000, -0.0057636400000000 ] - [ -0.0181473700000000, 0.0229222700000000, -0.0111218700000000 ] - [ -0.0012703900000000, 0.0005324300000000, 0.0004133100000000 ] - [ -0.0003880000000000, 0.0049245500000000, 0.0023411900000000 ] - [ -0.0004010900000000, -0.0010185000000000, -0.0000234300000000 ] - [ 0.0000064200000000, -0.0014117000000000, -0.0007834300000000 ] - [ 0.0002665300000000, -0.0017917900000000, -0.0003704500000000 ] - [ -0.0002677000000000, 0.0012316400000000, 0.0004996900000000 ] - [ 0.0011537100000000, 0.0011696000000000, 0.0001052300000000 ] - [ 0.0035412400000000, 0.0002424700000000, -0.0006412600000000 ] - [ -0.0003716200000000, -0.0004378600000000, 0.0007374900000000 ] - [ -0.0004015800000000, -0.0022318200000000, 0.0004421200000000 ] - [ -0.0001762700000000, -0.0008879600000000, -0.0001181300000000 ] - [ 0.0039109600000000, 0.0001267700000000, 0.0024255700000000 ] - [ -0.0003042700000000, -0.0000676400000000, 0.0005638100000000 ] - [ 0.0022512700000000, 0.0045239100000000, -0.0007857400000000 ] - [ -0.0002976900000000, -0.0015050200000000, 0.0004890900000000 ] - [ -0.0013827600000000, 0.0000612700000000, 0.0001569500000000 ] - [ -0.0001386700000000, -0.0005533500000000, -0.0002393200000000 ] - [ -0.0002741100000000, 0.0005795600000000, -0.0003864300000000 ] - [ 0.0000182100000000, 0.0008375000000000, -0.0003466100000000 ] - [ -0.0002363900000000, 0.0006837400000000, -0.0004631600000000 ] - [ -0.0003776200000000, -0.0000345400000000, -0.0003479300000000 ] - [ 0.0001438800000000, -0.0003541800000000, -0.0002895500000000 ] - [ 0.0013808800000000, 0.0001628500000000, 0.0001163500000000 ] - [ 0.0003713800000000, -0.0002744100000000, 0.0000105800000000 ] - [ -0.0004172200000000, 0.0015148700000000, 0.0002341500000000 ] - [ 0.0005584700000000, -0.0005954500000000, 0.0009862200000000 ] - [ 0.0000817600000000, 0.0013854400000000, 0.0001034000000000 ] - [ 0.0006933400000000, 0.0000231800000000, 0.0001506300000000 ] - [ -0.0000661100000000, 0.0000273600000000, -0.0007932500000000 ] - [ 0.0003751600000000, 0.0001651400000000, 0.0000732000000000 ] - [ -0.0003406400000000, -0.0001530200000000, 0.0002891800000000 ] - [ -0.0000576200000000, 0.0002566300000000, -0.0003830400000000 ] - [ 0.0002191400000000, 0.0000417800000000, 0.0000184900000000 ] - [ 0.0002201300000000, 0.0006090400000000, 0.0000888100000000 ] - [ 0.0004660800000000, -0.0001685500000000, 0.0005740000000000 ] - [ -0.0003574200000000, 0.0000471900000000, 0.0005306600000000 ] - [ -0.0000765400000000, 0.0007626800000000, 0.0003345900000000 ] - [ 0.0001885600000000, 0.0008148400000000, 0.0007765700000000 ] - [ -0.0003079900000000, 0.0001277400000000, -0.0002495400000000 ] - [ -0.0000563100000000, 0.0001502600000000, -0.0005079000000000 ] - [ -0.0002145500000000, -0.0005755600000000, 0.0002262800000000 ] - [ 0.0001177400000000, -0.0018421200000000, -0.0009416000000000 ] - [ -0.0001902000000000, -0.0009892200000000, -0.0002203000000000 ] - [ 0.0020134200000000, 0.0024228900000000, 0.0012334500000000 ] - [ 0.0020710300000000, -0.0008927000000000, -0.0008958500000000 ] - [ 0.0023824600000000, 0.0011513900000000, -0.0000332900000000 ] - [ -0.0004912300000000, -0.0001779000000000, -0.0006786700000000 ] - [ 0.0004592000000000, -0.0012154800000000, 0.0001860100000000 ] - [ -0.0002852000000000, -0.0009328100000000, 0.0001603200000000 ] - [ 0.0010347900000000, 0.0012217700000000, 0.0001195000000000 ] - [ 0.0012688500000000, 0.0025841900000000, -0.0036896200000000 ] - [ -0.0007960500000000, 0.0012789900000000, -0.0009902200000000 ] - [ -0.0003625500000000, -0.0017187000000000, 0.0007214000000000 ] - [ -0.0036485400000000, -0.0039429400000000, -0.0015520000000000 ] - [ 0.0002126500000000, -0.0011726500000000, 0.0002773600000000 ] - [ -0.0011736000000000, -0.0020983200000000, 0.0020735800000000 ] - [ -0.0008339000000000, 0.0001331800000000, 0.0002280800000000 ] - [ -0.0171313300000000, 0.0123704900000000, 0.0215136800000000 ] - [ -0.0004671100000000, -0.0010012500000000, 0.0008134400000000 ] - [ 0.0028182800000000, -0.0053863900000000, 0.0014477400000000 ] - [ 0.0047351900000000, -0.0006171600000000, 0.0060970900000000 ] - [ -0.0000718400000000, -0.0000637800000000, -0.0006150800000000 ] - [ 0.0156714600000000, 0.0236361000000000, 0.0339566600000000 ] - [ -0.0002208900000000, -0.0000667100000000, 0.0004481700000000 ] - [ -0.0008066700000000, 0.0001045200000000, -0.0001130700000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000172700000000, -0.0031553300000000, -0.0001471300000000 ] - [ 0.0001754100000000, 0.0033187500000000, -0.0015207700000000 ] - [ 0.0012777800000000, -0.0043443200000000, 0.0031721400000000 ] - [ -0.0000780800000000, 0.0004552200000000, 0.0010881000000000 ] - [ -0.0000878700000000, 0.0001936800000000, 0.0002415500000000 ] - [ 0.0014409100000000, -0.0010648600000000, -0.0000285200000000 ] - [ -0.0002909400000000, -0.0001401700000000, 0.0007127400000000 ] - [ -0.0027234900000000, 0.0021256200000000, 0.0006449800000000 ] - [ -0.0015483300000000, -0.0000466400000000, -0.0003315500000000 ] - [ 0.0001372200000000, 0.0001585100000000, 0.0002823700000000 ] - [ 0.0003236900000000, -0.0003422900000000, -0.0004945200000000 ] - [ -0.0000852000000000, 0.0006137000000000, -0.0000176500000000 ] - [ 0.0001295100000000, -0.0000010800000000, 0.0000457300000000 ] - [ 0.0004036600000000, 0.0003147900000000, 0.0004278500000000 ] - [ 0.0000124200000000, 0.0002757400000000, -0.0002907400000000 ] - [ 0.0000819200000000, -0.0000430700000000, 0.0002300200000000 ] - [ -0.0000432200000000, -0.0007655500000000, -0.0002521300000000 ] - [ 0.0016828700000000, -0.0007460300000000, 0.0000472500000000 ] - [ -0.0001927800000000, -0.0000107900000000, -0.0005501500000000 ] - [ -0.0029672800000000, 0.0022904600000000, -0.0004350900000000 ] - [ -0.0011377800000000, 0.0000620700000000, -0.0009447300000000 ] - [ 0.0020561300000000, -0.0032271000000000, -0.0036308900000000 ] - [ 0.0003104500000000, -0.0006423000000000, 0.0006348900000000 ] - [ -0.0012405900000000, 0.0009765800000000, -0.0001110600000000 ] - [ -0.0088140600000000, 0.1052798800000000, 0.0336424900000000 ] - [ 0.0023779300000000, -0.0012258500000000, -0.0010414900000000 ] - [ -0.0020976100000000, -0.0022754300000000, -0.0008768400000000 ] - [ -0.0004926000000000, 0.0007636600000000, 0.0002955300000000 ] - [ 0.0006798100000000, -0.0009656100000000, 0.0004945100000000 ] - [ -0.0002098200000000, 0.0001806200000000, 0.0004541900000000 ] - [ 0.0002747100000000, 0.0014217400000000, -0.0002702900000000 ] - [ 0.0011176000000000, -0.0005345200000000, -0.0005689400000000 ] - [ -0.0010428900000000, -0.0028813000000000, 0.0008692500000000 ] - [ -0.0005709300000000, 0.0016318700000000, -0.0006585600000000 ] - [ 0.0013481100000000, -0.0010555900000000, 0.0020946500000000 ] - [ -0.0001713200000000, -0.0019755800000000, -0.0003186600000000 ] - [ 0.0080806800000000, -0.0199969400000000, 0.0186098200000000 ] - [ -0.0008519100000000, -0.0003915800000000, 0.0002916000000000 ] - [ -0.0005560200000000, -0.0026529600000000, -0.0010128100000000 ] - [ 0.0076922800000000, 0.0112780200000000, 0.0078201100000000 ] - [ 0.0006236600000000, -0.0019296800000000, 0.0003775600000000 ] - [ 0.0003543600000000, 0.0012206500000000, -0.0001189900000000 ] - [ -0.0014943800000000, 0.0010079200000000, 0.0002281300000000 ] - [ 0.0007561400000000, -0.0001427200000000, 0.0002443400000000 ] - [ 0.0000504200000000, -0.0003816400000000, -0.0009657500000000 ] - [ 0.0008335000000000, -0.0006862900000000, 0.0001909600000000 ] - [ -0.0000055600000000, -0.0025254300000000, 0.0001468600000000 ] - [ -0.0006119500000000, 0.0025838200000000, -0.0011540800000000 ] - [ 0.0003177600000000, -0.0028614200000000, 0.0000501900000000 ] - [ 0.0073257600000000, 0.0031913000000000, -0.0015362300000000 ] - [ -0.0036473200000000, -0.0203840700000000, -0.0136388700000000 ] - [ -0.0008343000000000, 0.0000137600000000, 0.0002407200000000 ] - [ 0.0009809200000000, -0.0015690900000000, 0.0007591400000000 ] - [ -0.0001264300000000, -0.0013167000000000, -0.0004239200000000 ] - [ -0.0012526200000000, 0.0021342700000000, -0.0027737800000000 ] - [ -0.0040963600000000, -0.0046662400000000, -0.0048200700000000 ] - [ 0.0009899100000000, -0.0001795100000000, 0.0000329500000000 ] - [ 0.0047515100000000, -0.0008040500000000, -0.0021342000000000 ] - [ -0.0003478800000000, -0.0003371000000000, 0.0002953400000000 ] - [ 0.0004264200000000, -0.0002096500000000, 0.0006204300000000 ] - [ -0.0000078500000000, 0.0000326100000000, 0.0008784200000000 ] - [ -0.0003590700000000, 0.0000232600000000, -0.0003783400000000 ] - [ 0.0007982100000000, 0.0011790000000000, 0.0000483900000000 ] - [ -0.0001269300000000, -0.0003902800000000, 0.0001262400000000 ] - [ -0.0000240700000000, -0.0011871600000000, 0.0000855100000000 ] - [ 0.0003651600000000, 0.0002141900000000, 0.0002952500000000 ] - [ 0.0002626200000000, 0.0003802600000000, 0.0003004900000000 ] - [ -0.0001744300000000, 0.0001335200000000, -0.0008669300000000 ] - [ 0.0007934800000000, -0.0001018100000000, -0.0001019100000000 ] - [ 0.0009848200000000, 0.0001803800000000, 0.0005247800000000 ] - [ -0.0004119700000000, 0.0000914800000000, -0.0001759600000000 ] - [ 0.0010506000000000, 0.0009028900000000, 0.0000820300000000 ] - [ 0.0003050900000000, -0.0002842800000000, 0.0003092700000000 ] - [ -0.0007097600000000, -0.0012817500000000, 0.0001587100000000 ] - [ -0.0003112200000000, -0.0001187200000000, 0.0002553300000000 ] - [ -0.0001053200000000, 0.0011069700000000, -0.0001799600000000 ] - [ 0.0002794100000000, 0.0020890900000000, -0.0003520000000000 ] - [ -0.0016759100000000, 0.0028642500000000, 0.0060249800000000 ] - [ 0.0004242400000000, 0.0003604100000000, -0.0000959200000000 ] - [ -0.0008066300000000, 0.0057002800000000, 0.0013097100000000 ] - [ -0.0003975800000000, 0.0001806000000000, 0.0004864500000000 ] - [ 0.0004788700000000, 0.0003246800000000, -0.0011225000000000 ] - [ -0.0173374800000000, -0.0244811800000000, 0.0112240100000000 ] - [ 0.0001178600000000, 0.0010484000000000, -0.0006311200000000 ] - [ 0.0023359100000000, 0.0060894700000000, -0.0047521900000000 ] - [ 0.0031458400000000, 0.0006125300000000, 0.0045014300000000 ] - [ 0.0191939800000000, -0.0229946200000000, 0.0108180400000000 ] - [ 0.0001791700000000, -0.0003175900000000, 0.0001721700000000 ] - [ 0.0004260100000000, -0.0041563500000000, -0.0027030600000000 ] - [ 0.0000277900000000, 0.0006448300000000, -0.0003487100000000 ] - [ 0.0004998600000000, 0.0024460700000000, 0.0013427200000000 ] - [ -0.0010114800000000, 0.0014161100000000, 0.0003357200000000 ] - [ 0.0005786000000000, -0.0015408400000000, -0.0008102000000000 ] - [ -0.0001156900000000, -0.0006107800000000, 0.0004032200000000 ] - [ -0.0023010600000000, -0.0000729500000000, 0.0019082800000000 ] - [ -0.0008674600000000, 0.0002612300000000, 0.0005366800000000 ] - [ -0.0006396600000000, 0.0016668000000000, 0.0000657900000000 ] - [ -0.0001373500000000, 0.0011962000000000, -0.0001939300000000 ] - [ -0.0031440400000000, 0.0002415100000000, -0.0024492100000000 ] - [ -0.0002045700000000, -0.0009699300000000, -0.0000020400000000 ] - [ -0.0018752500000000, -0.0041418400000000, 0.0004095800000000 ] - [ 0.0002596400000000, 0.0007587300000000, -0.0008600600000000 ] - [ 0.0024650600000000, -0.0002708900000000, 0.0004287200000000 ] - [ -0.0002316000000000, 0.0005142300000000, -0.0005065000000000 ] - [ 0.0000983600000000, 0.0006934500000000, -0.0008520600000000 ] - [ -0.0002418100000000, -0.0000674900000000, -0.0004318200000000 ] - [ -0.0003218300000000, -0.0001747600000000, -0.0005719500000000 ] - [ -0.0003992900000000, 0.0002616500000000, -0.0004166100000000 ] - [ -0.0002028800000000, 0.0002926200000000, 0.0002305800000000 ] - [ -0.0006137400000000, 0.0006130100000000, 0.0001062200000000 ] - [ -0.0000847400000000, -0.0000136500000000, -0.0002959400000000 ] - [ -0.0001692300000000, -0.0004281800000000, -0.0000242000000000 ] - [ -0.0003461200000000, 0.0000067800000000, 0.0001013100000000 ] - [ -0.0013518500000000, -0.0001441500000000, -0.0002764900000000 ] - [ 0.0005801000000000, 0.0012141100000000, 0.0000246900000000 ] - [ -0.0001486900000000, -0.0006126400000000, -0.0002940800000000 ] - [ 0.0002093600000000, 0.0009156300000000, -0.0002812500000000 ] - [ 0.0000538800000000, -0.0001332000000000, -0.0000021400000000 ] - [ -0.0007094700000000, 0.0005234900000000, 0.0001594200000000 ] - [ -0.0001608700000000, -0.0000988200000000, 0.0000408800000000 ] - [ 0.0005559700000000, -0.0003850700000000, 0.0006770800000000 ] - [ 0.0000932900000000, 0.0006763200000000, 0.0004620200000000 ] - [ 0.0005807000000000, 0.0007160200000000, 0.0002495500000000 ] - [ 0.0002522600000000, 0.0005080500000000, 0.0009051200000000 ] - [ 0.0001810900000000, -0.0008496900000000, -0.0000283300000000 ] - [ -0.0007790000000000, -0.0003450100000000, -0.0003378500000000 ] - [ 0.0000915600000000, -0.0008952000000000, 0.0008833000000000 ] - [ -0.0001547300000000, 0.0009471800000000, 0.0001453600000000 ] - [ 0.0003907600000000, 0.0007998700000000, 0.0003810700000000 ] - [ -0.0005518900000000, 0.0013629000000000, 0.0002539400000000 ] - [ -0.0017159300000000, -0.0021175200000000, -0.0009210500000000 ] - [ -0.0010500200000000, 0.0003547000000000, 0.0003891600000000 ] - [ -0.0011389200000000, -0.0013211200000000, -0.0012412500000000 ] - [ -0.0007462500000000, 0.0003534900000000, -0.0005957700000000 ] - [ -0.0014922800000000, 0.0017713500000000, -0.0006940100000000 ] - [ -0.0000269400000000, 0.0006182700000000, 0.0001526700000000 ] - [ -0.0002855100000000, -0.0015876700000000, -0.0000801700000000 ] - [ -0.0017871800000000, -0.0015575300000000, 0.0031531200000000 ] - [ 0.0011689100000000, -0.0016507800000000, 0.0013619100000000 ] - [ 0.0003324500000000, 0.0024638600000000, -0.0003461100000000 ] - [ 0.0047184200000000, 0.0041259000000000, 0.0009715500000000 ] - [ -0.0005800300000000, 0.0012078200000000, 0.0004673900000000 ] - [ 0.0010047100000000, 0.0008337000000000, -0.0008461300000000 ] - [ 0.0006105300000000, -0.0009026800000000, 0.0005519100000000 ] - [ 0.0164307800000000, -0.0132361900000000, -0.0203460000000000 ] - [ -0.0003141200000000, 0.0007694400000000, -0.0000560100000000 ] - [ -0.0028865200000000, 0.0054268200000000, -0.0013625600000000 ] - [ -0.0039620500000000, -0.0001645800000000, -0.0063060400000000 ] - [ 0.0003623500000000, 0.0003549900000000, 0.0009015000000000 ] - [ -0.0168635000000000, -0.0251867700000000, -0.0354386600000000 ] - [ 0.0004305400000000, 0.0006512800000000, -0.0015326700000000 ] - [ -0.0004676200000000, -0.0013431600000000, 0.0002900300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002479600000000, -0.0000745200000000, -0.0008332200000000 ] - [ -0.0003139500000000, -0.0003429100000000, 0.0047735200000000 ] - [ -0.0000659500000000, -0.0035776700000000, -0.0006987700000000 ] - [ 0.0001742300000000, 0.0001937700000000, 0.0010037600000000 ] - [ 0.0000334600000000, 0.0007019300000000, 0.0004913100000000 ] - [ -0.0006127700000000, 0.0001291800000000, -0.0001349700000000 ] - [ -0.0003162100000000, -0.0004330500000000, 0.0012004800000000 ] - [ -0.0033319500000000, -0.0005293800000000, -0.0002972500000000 ] - [ -0.0004926800000000, 0.0003927200000000, -0.0003852200000000 ] - [ -0.0000460400000000, 0.0002286900000000, 0.0006307100000000 ] - [ 0.0002495500000000, 0.0000012100000000, -0.0006217300000000 ] - [ -0.0002855100000000, 0.0003396700000000, 0.0005721600000000 ] - [ 0.0002839200000000, 0.0004390700000000, -0.0000430600000000 ] - [ -0.0006609600000000, 0.0000080000000000, -0.0002544100000000 ] - [ 0.0001034400000000, 0.0002671700000000, -0.0001384200000000 ] - [ 0.0003128200000000, -0.0013589500000000, -0.0003708600000000 ] - [ 0.0000792400000000, -0.0005910000000000, 0.0000098600000000 ] - [ 0.0011286100000000, -0.0001417700000000, -0.0006880000000000 ] - [ -0.0005062600000000, 0.0006377100000000, 0.0011363900000000 ] - [ 0.0038254500000000, 0.0001824200000000, -0.0017409700000000 ] - [ 0.0001379700000000, 0.0004501300000000, 0.0012894500000000 ] - [ 0.0003521500000000, 0.0035070200000000, -0.0010794600000000 ] - [ 0.0002729800000000, 0.0001415900000000, 0.0011587400000000 ] - [ 0.0000758900000000, -0.0003235800000000, 0.0053684600000000 ] - [ 0.0022828800000000, -0.0323930000000000, -0.1385470700000000 ] - [ -0.0016341500000000, 0.0008202200000000, 0.0031207400000000 ] - [ -0.0011187800000000, -0.0004687300000000, -0.0009654900000000 ] - [ 0.0004477600000000, 0.0005604500000000, 0.0022785300000000 ] - [ 0.0005566400000000, -0.0013948000000000, -0.0005309700000000 ] - [ -0.0001808800000000, 0.0006892800000000, 0.0011907100000000 ] - [ 0.0004624600000000, 0.0005057600000000, -0.0006628700000000 ] - [ -0.0014438700000000, 0.0026097900000000, -0.0018620700000000 ] - [ 0.0026150400000000, 0.0016341200000000, -0.0015674200000000 ] - [ -0.0013531500000000, -0.0014448300000000, 0.0030609400000000 ] - [ 0.0004647200000000, -0.0010533300000000, 0.0020394500000000 ] - [ 0.0000154500000000, -0.0005550000000000, -0.0006008000000000 ] - [ 0.0034235800000000, -0.0129514600000000, 0.0069755500000000 ] - [ 0.0005257100000000, 0.0019251900000000, 0.0030203700000000 ] - [ -0.0012162100000000, -0.0003024000000000, -0.0020694800000000 ] - [ 0.0144987100000000, 0.0029563100000000, 0.0077974500000000 ] - [ -0.0006730700000000, 0.0005883900000000, 0.0013959700000000 ] - [ -0.0013428000000000, -0.0003703200000000, 0.0021473900000000 ] - [ -0.0011415700000000, 0.0004226700000000, -0.0017267500000000 ] - [ 0.0000926700000000, 0.0003906300000000, 0.0016819900000000 ] - [ 0.0005531300000000, -0.0011322400000000, -0.0015197900000000 ] - [ -0.0001784100000000, -0.0009974000000000, 0.0004983000000000 ] - [ 0.0002989000000000, -0.0005174800000000, 0.0015362700000000 ] - [ 0.0018197500000000, -0.0003659000000000, 0.0025285000000000 ] - [ 0.0011030200000000, 0.0006749300000000, -0.0017128500000000 ] - [ -0.0188597100000000, -0.0012616000000000, 0.0093647600000000 ] - [ 0.0002358500000000, 0.0218925000000000, 0.0080023000000000 ] - [ -0.0000562500000000, -0.0017581900000000, 0.0023100000000000 ] - [ 0.0003209100000000, 0.0001485200000000, 0.0002154800000000 ] - [ -0.0003220900000000, -0.0003568500000000, 0.0000546200000000 ] - [ 0.0009687700000000, 0.0017836700000000, -0.0003541700000000 ] - [ -0.0002668100000000, -0.0005148000000000, -0.0052058100000000 ] - [ 0.0006289700000000, -0.0000136200000000, 0.0002659000000000 ] - [ 0.0005449000000000, -0.0000408000000000, -0.0054976200000000 ] - [ -0.0003675300000000, -0.0002904000000000, 0.0004262700000000 ] - [ -0.0010166900000000, -0.0002339300000000, -0.0004178700000000 ] - [ -0.0000544300000000, 0.0000211600000000, 0.0011513300000000 ] - [ -0.0003693500000000, 0.0003094500000000, -0.0003209100000000 ] - [ 0.0004724600000000, 0.0006803500000000, -0.0000005200000000 ] - [ -0.0001848000000000, -0.0003496000000000, 0.0002395200000000 ] - [ 0.0002004700000000, -0.0005522900000000, -0.0001609600000000 ] - [ 0.0000118100000000, 0.0005915800000000, 0.0000857900000000 ] - [ 0.0002488400000000, 0.0000054900000000, 0.0007507800000000 ] - [ 0.0002584800000000, 0.0000244300000000, -0.0007440200000000 ] - [ 0.0008346300000000, 0.0001816700000000, 0.0000305800000000 ] - [ 0.0007798800000000, -0.0001021900000000, 0.0003539000000000 ] - [ -0.0003787200000000, 0.0004992300000000, -0.0002525900000000 ] - [ 0.0010368900000000, -0.0006587400000000, -0.0000068800000000 ] - [ -0.0000069400000000, -0.0003167500000000, -0.0004982500000000 ] - [ -0.0000961100000000, -0.0003469700000000, -0.0006964400000000 ] - [ -0.0003146600000000, -0.0003432800000000, 0.0008067800000000 ] - [ 0.0000460200000000, 0.0008813900000000, 0.0006108500000000 ] - [ 0.0007058100000000, -0.0004712900000000, -0.0005670600000000 ] - [ 0.0016656300000000, -0.0030292100000000, -0.0052836200000000 ] - [ 0.0001781100000000, -0.0010425600000000, -0.0003294400000000 ] - [ 0.0022189800000000, -0.0052932500000000, 0.0016376800000000 ] - [ -0.0008084000000000, 0.0000236300000000, -0.0021142000000000 ] - [ 0.0003451400000000, 0.0017250000000000, -0.0019557400000000 ] - [ -0.0077752800000000, -0.0112897900000000, 0.0098015700000000 ] - [ 0.0002797200000000, -0.0000719400000000, 0.0001741300000000 ] - [ 0.0014683800000000, 0.0022917500000000, -0.0021124000000000 ] - [ -0.0005384300000000, -0.0015342200000000, 0.0033287300000000 ] - [ 0.0154362400000000, -0.0133668800000000, 0.0120445900000000 ] - [ -0.0003687700000000, -0.0006278700000000, -0.0006995000000000 ] - [ -0.0028299700000000, -0.0018047700000000, -0.0032116000000000 ] - [ 0.0000026900000000, -0.0003068000000000, -0.0008279600000000 ] - [ 0.0008652700000000, 0.0008858200000000, 0.0016290900000000 ] - [ 0.0005980500000000, -0.0008538400000000, -0.0006447700000000 ] - [ 0.0017235400000000, -0.0004789400000000, -0.0019207000000000 ] - [ 0.0013230100000000, 0.0005341900000000, -0.0007006300000000 ] - [ 0.0009043900000000, 0.0003246600000000, 0.0044499400000000 ] - [ -0.0006228600000000, 0.0000774300000000, 0.0002813800000000 ] - [ -0.0001226300000000, 0.0008793400000000, 0.0009156800000000 ] - [ 0.0000687800000000, 0.0000375400000000, 0.0002278100000000 ] - [ -0.0024841600000000, 0.0016083600000000, -0.0017140200000000 ] - [ -0.0000533200000000, 0.0000209400000000, -0.0019587700000000 ] - [ -0.0024318800000000, -0.0020655700000000, 0.0009830400000000 ] - [ 0.0004275300000000, -0.0004004300000000, -0.0004498800000000 ] - [ 0.0018977800000000, -0.0004902000000000, 0.0010277400000000 ] - [ 0.0002759600000000, 0.0000238600000000, -0.0010415900000000 ] - [ 0.0001311500000000, 0.0006113700000000, -0.0010876700000000 ] - [ -0.0005341400000000, -0.0003237800000000, -0.0009862000000000 ] - [ 0.0001079100000000, 0.0002198900000000, -0.0009020600000000 ] - [ -0.0001747000000000, -0.0004281700000000, -0.0011888800000000 ] - [ -0.0000230500000000, 0.0001687800000000, 0.0002888300000000 ] - [ 0.0002262800000000, 0.0009520500000000, 0.0014306600000000 ] - [ 0.0002204900000000, 0.0000228300000000, -0.0006896500000000 ] - [ -0.0001499000000000, 0.0005208500000000, 0.0008737000000000 ] - [ -0.0000217400000000, 0.0001714900000000, 0.0003497800000000 ] - [ -0.0007590200000000, 0.0002963200000000, -0.0005989400000000 ] - [ 0.0006756800000000, 0.0004308500000000, 0.0003702200000000 ] - [ 0.0005606100000000, -0.0008743700000000, 0.0010426800000000 ] - [ 0.0004117800000000, 0.0010379100000000, -0.0005539400000000 ] - [ -0.0002386500000000, -0.0003395000000000, 0.0006191400000000 ] - [ 0.0000807800000000, -0.0002153400000000, -0.0007018600000000 ] - [ 0.0000704000000000, -0.0001997000000000, -0.0006688800000000 ] - [ -0.0001760400000000, 0.0001579600000000, 0.0008730400000000 ] - [ -0.0003866800000000, 0.0002381200000000, -0.0000531200000000 ] - [ -0.0008685700000000, 0.0007207300000000, 0.0011089100000000 ] - [ -0.0002585700000000, 0.0007889600000000, 0.0002566100000000 ] - [ -0.0005242900000000, 0.0001204700000000, -0.0001075600000000 ] - [ 0.0000058000000000, 0.0005369100000000, -0.0007662300000000 ] - [ -0.0003749600000000, -0.0007590500000000, -0.0021235800000000 ] - [ -0.0003520800000000, 0.0002192100000000, 0.0005833800000000 ] - [ -0.0003319400000000, -0.0011400400000000, -0.0006688900000000 ] - [ -0.0007574000000000, -0.0008390900000000, 0.0007402000000000 ] - [ 0.0050721800000000, 0.0027892900000000, 0.0018072100000000 ] - [ 0.0063111800000000, -0.0051405100000000, -0.0021252500000000 ] - [ -0.0009468500000000, 0.0002762300000000, -0.0003146300000000 ] - [ -0.0007313000000000, -0.0003577900000000, -0.0008572000000000 ] - [ -0.0010654500000000, 0.0007589100000000, -0.0007262000000000 ] - [ -0.0003494600000000, -0.0002120300000000, -0.0004388700000000 ] - [ 0.0000252900000000, -0.0001067300000000, -0.0013923100000000 ] - [ 0.0024167500000000, 0.0025881700000000, -0.0058743000000000 ] - [ -0.0015046500000000, 0.0004049800000000, -0.0018097100000000 ] - [ -0.0005464200000000, -0.0000719000000000, 0.0019401700000000 ] - [ -0.0049804800000000, -0.0058982500000000, -0.0013461100000000 ] - [ -0.0002060900000000, -0.0005731900000000, 0.0009638400000000 ] - [ 0.0000940300000000, 0.0006878600000000, 0.0018149500000000 ] - [ -0.0002778200000000, 0.0001230200000000, -0.0009983600000000 ] - [ -0.0354675500000000, 0.0215420400000000, 0.0450244500000000 ] - [ -0.0003475000000000, 0.0004059500000000, -0.0000456100000000 ] - [ -0.0024455900000000, 0.0024943200000000, 0.0014350600000000 ] - [ -0.0016973400000000, 0.0023967300000000, -0.0031604300000000 ] - [ -0.0004185300000000, -0.0013383300000000, -0.0016915500000000 ] - [ 0.0244405800000000, 0.0323865800000000, 0.0553422800000000 ] - [ 0.0005745200000000, 0.0001906400000000, -0.0028144000000000 ] - [ -0.0006756300000000, -0.0007042000000000, -0.0015101000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002218200000000, -0.0007545200000000, 0.0006791400000000 ] - [ -0.0002886000000000, 0.0004258500000000, -0.0058196500000000 ] - [ -0.0000836700000000, 0.0031042700000000, 0.0015170100000000 ] - [ 0.0008274400000000, 0.0004077200000000, -0.0009135400000000 ] - [ 0.0000587000000000, 0.0002988600000000, 0.0001082100000000 ] - [ 0.0014412300000000, 0.0000222200000000, 0.0006065400000000 ] - [ -0.0005089300000000, 0.0002799000000000, -0.0007299200000000 ] - [ 0.0032488900000000, -0.0004661700000000, 0.0009078500000000 ] - [ -0.0005068400000000, -0.0009918000000000, 0.0004715500000000 ] - [ 0.0001985900000000, 0.0002407200000000, 0.0001980800000000 ] - [ 0.0003483100000000, -0.0000929200000000, -0.0003800800000000 ] - [ -0.0001830200000000, 0.0004873800000000, -0.0007264000000000 ] - [ 0.0001854300000000, 0.0003890600000000, 0.0001962200000000 ] - [ 0.0000594800000000, -0.0000966700000000, 0.0012538500000000 ] - [ -0.0002562400000000, 0.0002030400000000, -0.0006905300000000 ] - [ 0.0006875500000000, 0.0007604600000000, 0.0002798800000000 ] - [ 0.0000110400000000, -0.0004093100000000, -0.0006105700000000 ] - [ -0.0002991200000000, -0.0000079800000000, 0.0002183100000000 ] - [ -0.0003231300000000, -0.0004841100000000, -0.0016105800000000 ] - [ -0.0039209700000000, 0.0008145600000000, 0.0011493500000000 ] - [ -0.0011380700000000, 0.0001474700000000, -0.0013756200000000 ] - [ -0.0002047300000000, -0.0039691200000000, 0.0002407300000000 ] - [ 0.0003262100000000, -0.0000501700000000, -0.0001564000000000 ] - [ -0.0005516600000000, -0.0005008200000000, -0.0051681900000000 ] - [ 0.0007298500000000, 0.0323939200000000, 0.1399868100000000 ] - [ 0.0022702200000000, -0.0012458600000000, -0.0020113600000000 ] - [ 0.0022213400000000, 0.0011048700000000, 0.0005402500000000 ] - [ -0.0015487500000000, -0.0011914500000000, -0.0026971600000000 ] - [ -0.0011958800000000, 0.0018224400000000, 0.0016369400000000 ] - [ -0.0002430700000000, 0.0004171600000000, -0.0005524600000000 ] - [ -0.0000373000000000, 0.0006024100000000, 0.0000272200000000 ] - [ 0.0020840600000000, -0.0021904500000000, 0.0007565000000000 ] - [ -0.0015054500000000, -0.0022699000000000, 0.0019889000000000 ] - [ 0.0002438900000000, 0.0020827900000000, -0.0026372200000000 ] - [ -0.0011085500000000, 0.0006328400000000, -0.0031506600000000 ] - [ -0.0004377500000000, -0.0005514700000000, -0.0000410300000000 ] - [ -0.0040425800000000, 0.0136684300000000, -0.0062521400000000 ] - [ 0.0000251200000000, -0.0013721700000000, -0.0024745800000000 ] - [ 0.0003052000000000, 0.0012130100000000, 0.0011536200000000 ] - [ -0.0149317600000000, -0.0035043100000000, -0.0073447000000000 ] - [ 0.0011757000000000, -0.0000880300000000, -0.0008900600000000 ] - [ 0.0022622200000000, -0.0005474200000000, -0.0030609500000000 ] - [ 0.0005940600000000, -0.0009663300000000, 0.0022736500000000 ] - [ 0.0005790100000000, -0.0010568400000000, -0.0010131300000000 ] - [ -0.0012193300000000, 0.0004630900000000, 0.0008517700000000 ] - [ 0.0007257000000000, 0.0004497300000000, -0.0010453900000000 ] - [ -0.0012107500000000, -0.0003873200000000, -0.0006210600000000 ] - [ -0.0023311300000000, 0.0008698100000000, -0.0030330300000000 ] - [ -0.0006012000000000, -0.0011781600000000, 0.0012054400000000 ] - [ 0.0197508800000000, 0.0022321900000000, -0.0084333800000000 ] - [ -0.0008389700000000, -0.0213724500000000, -0.0085879900000000 ] - [ 0.0007162400000000, 0.0024165800000000, -0.0029723700000000 ] - [ -0.0001252200000000, 0.0013027500000000, -0.0001702900000000 ] - [ 0.0006107600000000, -0.0005573500000000, -0.0005207300000000 ] - [ -0.0004964600000000, -0.0020627800000000, -0.0005630500000000 ] - [ 0.0002152000000000, 0.0003062100000000, 0.0066399700000000 ] - [ 0.0008257700000000, 0.0000576200000000, -0.0000735600000000 ] - [ 0.0003516700000000, 0.0005172100000000, 0.0058005800000000 ] - [ -0.0005457800000000, -0.0001755800000000, -0.0001375200000000 ] - [ -0.0004354000000000, 0.0001912000000000, 0.0006093900000000 ] - [ 0.0000992800000000, 0.0001717400000000, 0.0003024500000000 ] - [ -0.0000967600000000, -0.0000207400000000, -0.0005930500000000 ] - [ -0.0007634600000000, 0.0002322200000000, -0.0004665700000000 ] - [ -0.0000068100000000, -0.0011053300000000, -0.0001963300000000 ] - [ -0.0000074200000000, -0.0009020600000000, 0.0001160300000000 ] - [ 0.0002776400000000, 0.0003227200000000, 0.0003801000000000 ] - [ 0.0002170700000000, 0.0002836000000000, 0.0001630700000000 ] - [ -0.0003026400000000, 0.0001685300000000, -0.0007092800000000 ] - [ 0.0006200200000000, -0.0002263000000000, -0.0002235400000000 ] - [ 0.0001344200000000, -0.0003631400000000, -0.0006431200000000 ] - [ -0.0005360500000000, -0.0000328700000000, -0.0000364300000000 ] - [ -0.0024979900000000, 0.0007073600000000, -0.0001827500000000 ] - [ 0.0000503200000000, 0.0001236000000000, -0.0009579600000000 ] - [ -0.0003692400000000, 0.0000587900000000, 0.0016073300000000 ] - [ 0.0000237300000000, -0.0005693500000000, -0.0003412400000000 ] - [ -0.0002399600000000, 0.0005704900000000, -0.0006553700000000 ] - [ 0.0005718900000000, -0.0007677800000000, 0.0003881200000000 ] - [ -0.0018621500000000, 0.0036138300000000, 0.0063462700000000 ] - [ 0.0004094300000000, -0.0000516900000000, 0.0005449600000000 ] - [ -0.0025043900000000, 0.0055833400000000, -0.0019303000000000 ] - [ 0.0000403600000000, -0.0008010000000000, 0.0023297900000000 ] - [ -0.0002852800000000, -0.0016551500000000, 0.0018887300000000 ] - [ 0.0087313700000000, 0.0114344600000000, -0.0104975500000000 ] - [ 0.0002821100000000, -0.0004343600000000, -0.0012157300000000 ] - [ -0.0012373300000000, -0.0030388900000000, 0.0013198000000000 ] - [ 0.0007117500000000, 0.0002532700000000, -0.0045531900000000 ] - [ -0.0146119700000000, 0.0131575500000000, -0.0128773200000000 ] - [ -0.0007158100000000, 0.0008299500000000, 0.0012784200000000 ] - [ 0.0028499000000000, 0.0025500300000000, 0.0028430100000000 ] - [ -0.0003758000000000, -0.0000665800000000, 0.0004523200000000 ] - [ -0.0003521400000000, 0.0001471100000000, -0.0010702700000000 ] - [ -0.0013398500000000, 0.0004768800000000, 0.0006054900000000 ] - [ -0.0014191400000000, 0.0001672700000000, 0.0016136500000000 ] - [ -0.0002775800000000, 0.0000317400000000, 0.0012045500000000 ] - [ 0.0003416500000000, -0.0001502100000000, -0.0031780400000000 ] - [ -0.0006177900000000, -0.0002516500000000, 0.0009969800000000 ] - [ -0.0009106400000000, -0.0014394000000000, -0.0004036400000000 ] - [ -0.0003822000000000, 0.0002767600000000, -0.0005407300000000 ] - [ 0.0032443700000000, -0.0012361200000000, 0.0016845300000000 ] - [ -0.0004608700000000, -0.0010501100000000, 0.0025145600000000 ] - [ 0.0028137700000000, 0.0024452600000000, -0.0013471500000000 ] - [ -0.0004742500000000, -0.0003457900000000, 0.0000788900000000 ] - [ -0.0008088900000000, 0.0002852200000000, -0.0004482200000000 ] - [ -0.0006494600000000, -0.0000648400000000, 0.0002953700000000 ] - [ -0.0003076400000000, 0.0006692700000000, -0.0001543300000000 ] - [ 0.0002983000000000, 0.0010859100000000, 0.0002149900000000 ] - [ -0.0006688600000000, 0.0002943100000000, -0.0001315700000000 ] - [ -0.0006043900000000, 0.0006547500000000, 0.0004239200000000 ] - [ -0.0000348400000000, -0.0002257400000000, -0.0003474100000000 ] - [ 0.0005407100000000, -0.0001814200000000, -0.0012042700000000 ] - [ 0.0000705400000000, -0.0003128400000000, 0.0003983600000000 ] - [ -0.0004306200000000, 0.0005635600000000, -0.0006718400000000 ] - [ 0.0002282100000000, -0.0007537600000000, 0.0007396700000000 ] - [ -0.0005226300000000, 0.0009471900000000, 0.0004246500000000 ] - [ 0.0006039000000000, 0.0008122000000000, -0.0001943400000000 ] - [ -0.0007793500000000, 0.0002856800000000, -0.0021357200000000 ] - [ 0.0001737300000000, 0.0000513800000000, 0.0003419100000000 ] - [ -0.0000522700000000, 0.0000481700000000, -0.0003291500000000 ] - [ -0.0008508500000000, 0.0009968700000000, 0.0004811100000000 ] - [ -0.0000106800000000, 0.0001388700000000, 0.0007300400000000 ] - [ 0.0009457400000000, 0.0000724700000000, -0.0001081300000000 ] - [ 0.0009475900000000, 0.0002693300000000, 0.0010914300000000 ] - [ 0.0010918000000000, 0.0000477400000000, -0.0003357900000000 ] - [ 0.0004353900000000, 0.0004924800000000, 0.0009835900000000 ] - [ 0.0008957200000000, -0.0001677700000000, 0.0008525400000000 ] - [ -0.0010943700000000, -0.0007476000000000, 0.0001816800000000 ] - [ 0.0004193700000000, 0.0000154600000000, 0.0024986400000000 ] - [ -0.0000205300000000, 0.0001544100000000, -0.0002089900000000 ] - [ 0.0008411800000000, 0.0001024000000000, 0.0001073400000000 ] - [ 0.0000139900000000, 0.0012180700000000, -0.0007015800000000 ] - [ -0.0047577800000000, -0.0024790600000000, -0.0014908100000000 ] - [ -0.0052908600000000, 0.0045954800000000, 0.0016214700000000 ] - [ 0.0021906300000000, -0.0004545300000000, -0.0009719000000000 ] - [ -0.0005088200000000, 0.0005334700000000, -0.0004234900000000 ] - [ 0.0000272100000000, -0.0002006000000000, 0.0002178900000000 ] - [ 0.0000365500000000, -0.0001022900000000, 0.0007510100000000 ] - [ 0.0007210400000000, -0.0002694400000000, 0.0014325200000000 ] - [ -0.0029214900000000, -0.0015690100000000, 0.0053333600000000 ] - [ 0.0018861500000000, -0.0007776200000000, 0.0021878700000000 ] - [ 0.0005022700000000, 0.0008178600000000, -0.0015660400000000 ] - [ 0.0060486500000000, 0.0060895600000000, 0.0007640400000000 ] - [ -0.0001682100000000, 0.0006131900000000, -0.0002178000000000 ] - [ -0.0002684200000000, -0.0019656200000000, -0.0005659600000000 ] - [ 0.0000556600000000, -0.0008883700000000, 0.0017724000000000 ] - [ 0.0329292100000000, -0.0210982800000000, -0.0425949500000000 ] - [ -0.0004280700000000, -0.0006249200000000, 0.0008142900000000 ] - [ 0.0023795900000000, -0.0024271200000000, -0.0013850600000000 ] - [ 0.0024644700000000, -0.0032037500000000, 0.0029323600000000 ] - [ 0.0007101600000000, 0.0016223300000000, 0.0019779600000000 ] - [ -0.0262695200000000, -0.0357038500000000, -0.0576646900000000 ] - [ -0.0003598100000000, 0.0003948600000000, 0.0017229700000000 ] - [ -0.0006022100000000, -0.0005363500000000, 0.0016866600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0044536700000000, -0.0042295000000000, 0.0012553600000000 ] - [ -0.0043412400000000, 0.0035445600000000, -0.0009387900000000 ] - [ -0.0007524900000000, -0.0006637900000000, 0.0006694100000000 ] - [ 0.0006911800000000, -0.0012902400000000, -0.0071204000000000 ] - [ -0.0001354000000000, 0.0003639200000000, 0.0001267100000000 ] - [ 0.0005754000000000, 0.0006944500000000, 0.0002377700000000 ] - [ -0.0004669700000000, -0.0001760900000000, 0.0003130300000000 ] - [ 0.0060371300000000, -0.0060951900000000, 0.0010089300000000 ] - [ 0.0007394600000000, -0.0002680600000000, 0.0015061000000000 ] - [ 0.0007259300000000, 0.0003776700000000, 0.0003835000000000 ] - [ 0.0011313000000000, -0.0000333500000000, -0.0004791100000000 ] - [ 0.0005890300000000, 0.0004174000000000, 0.0001140200000000 ] - [ 0.0019013400000000, 0.0007128900000000, -0.0000047000000000 ] - [ 0.0007350000000000, -0.0001449100000000, 0.0004379400000000 ] - [ 0.0019293300000000, 0.0001124300000000, -0.0002512600000000 ] - [ 0.0008046000000000, -0.0004538800000000, -0.0000877400000000 ] - [ 0.0001878200000000, -0.0007957500000000, -0.0002090500000000 ] - [ 0.0106695100000000, -0.0042663900000000, -0.0010540800000000 ] - [ -0.0001072400000000, 0.0000798400000000, 0.0004275600000000 ] - [ 0.0001273600000000, 0.0028201100000000, -0.0010070400000000 ] - [ -0.0009741300000000, 0.0006096500000000, -0.0001421500000000 ] - [ -0.0014400600000000, 0.0019209100000000, -0.0061819300000000 ] - [ -0.0012739600000000, -0.0002973900000000, -0.0004754900000000 ] - [ -0.0009871000000000, -0.0003234900000000, 0.0007308700000000 ] - [ -0.0096181800000000, -0.0089093400000000, 0.0040399300000000 ] - [ -0.0008697300000000, 0.0006033000000000, -0.0000769400000000 ] - [ 0.0209898200000000, 0.0137112900000000, 0.0046452600000000 ] - [ -0.0005076800000000, 0.0004803100000000, 0.0002480000000000 ] - [ 0.0010255700000000, 0.0001286900000000, 0.0006440600000000 ] - [ 0.0019373200000000, 0.0001323500000000, 0.0005607900000000 ] - [ 0.0032931800000000, 0.0009311100000000, -0.0012097500000000 ] - [ 0.0029607100000000, 0.0010550900000000, -0.0011176800000000 ] - [ 0.0008809900000000, -0.0024031000000000, 0.0003225400000000 ] - [ -0.0007457000000000, 0.0010414000000000, 0.0010321200000000 ] - [ 0.0063213700000000, -0.0057423200000000, 0.0177572400000000 ] - [ -0.0021051800000000, -0.0017238800000000, -0.0007078600000000 ] - [ -0.4425255500000000, 0.0305613800000000, 0.0333293100000000 ] - [ -0.0032187900000000, 0.0004919200000000, 0.0031756100000000 ] - [ -0.0021750400000000, 0.0025731200000000, 0.0050616800000000 ] - [ 0.0014645800000000, -0.0009279100000000, 0.0033819300000000 ] - [ 0.0019268900000000, 0.0050868500000000, -0.0032712000000000 ] - [ 0.0029028100000000, -0.0022351100000000, -0.0020628300000000 ] - [ 0.0104169500000000, -0.0025944200000000, -0.0003181600000000 ] - [ 0.0023974100000000, -0.0004645300000000, 0.0003872900000000 ] - [ 0.0019575800000000, -0.0003895700000000, -0.0006976700000000 ] - [ 0.0017328700000000, -0.0003940300000000, 0.0000496700000000 ] - [ 0.0031211000000000, -0.0073956900000000, 0.0024982900000000 ] - [ 0.0037785000000000, 0.0036529900000000, 0.0018714600000000 ] - [ 0.0028246400000000, -0.0028149300000000, -0.0026504600000000 ] - [ -0.0010863400000000, 0.0018053700000000, -0.0005420100000000 ] - [ -0.0021140300000000, -0.0000959700000000, -0.0006573600000000 ] - [ -0.0016723900000000, 0.0007006400000000, -0.0004632800000000 ] - [ -0.0118814100000000, 0.0163237100000000, -0.0030443900000000 ] - [ 0.0009391800000000, 0.0003217700000000, -0.0007977100000000 ] - [ 0.0007700900000000, -0.0012567900000000, 0.0003509900000000 ] - [ 0.0014519600000000, 0.0027206900000000, 0.0122715700000000 ] - [ 0.0003464600000000, 0.0001637100000000, 0.0000802200000000 ] - [ 0.0006447200000000, -0.0003800100000000, -0.0000390200000000 ] - [ -0.0004874400000000, -0.0000621800000000, -0.0002149900000000 ] - [ 0.0000927600000000, -0.0002137300000000, 0.0003487100000000 ] - [ 0.0003439200000000, 0.0004201400000000, -0.0002920000000000 ] - [ 0.0009887700000000, -0.0001033700000000, -0.0011755100000000 ] - [ 0.0003417100000000, 0.0006628100000000, -0.0000446100000000 ] - [ 0.0000505000000000, -0.0006814600000000, 0.0001446400000000 ] - [ 0.0002826900000000, -0.0006768800000000, -0.0000723000000000 ] - [ 0.0012529600000000, -0.0000558600000000, 0.0005010200000000 ] - [ 0.0005574800000000, 0.0006457900000000, 0.0002998500000000 ] - [ 0.0002722200000000, 0.0000970000000000, -0.0010155900000000 ] - [ 0.0013670800000000, 0.0001081500000000, 0.0000573500000000 ] - [ 0.0030368100000000, 0.0001005000000000, 0.0031772000000000 ] - [ -0.0002520300000000, 0.0004012800000000, -0.0007045700000000 ] - [ 0.0136693200000000, 0.0085484000000000, 0.0006464500000000 ] - [ -0.0001110900000000, -0.0001005900000000, -0.0008589900000000 ] - [ -0.0006286300000000, -0.0009782900000000, 0.0000481000000000 ] - [ -0.0007525200000000, 0.0003032100000000, 0.0013863500000000 ] - [ 0.0000190800000000, 0.0014238500000000, 0.0001379000000000 ] - [ 0.0085512800000000, -0.0105283000000000, 0.0008115900000000 ] - [ 0.0007500200000000, -0.0002950200000000, 0.0007904000000000 ] - [ 0.0014103300000000, 0.0003862500000000, -0.0006570200000000 ] - [ 0.0009224400000000, 0.0000059900000000, -0.0001557800000000 ] - [ 0.0006624100000000, -0.0006679900000000, 0.0008078800000000 ] - [ 0.0008181300000000, 0.0000937500000000, -0.0003324000000000 ] - [ 0.0783370200000000, -0.0595432100000000, 0.0382876600000000 ] - [ 0.0032133000000000, -0.0001665500000000, -0.0019032100000000 ] - [ 0.1329623000000000, 0.0644945500000000, -0.0625183500000000 ] - [ 0.0009541100000000, -0.0029087300000000, -0.0063118700000000 ] - [ -0.0011927700000000, 0.0023970300000000, -0.0026376900000000 ] - [ 0.0016974400000000, -0.0004956300000000, 0.0000946800000000 ] - [ -0.0000236800000000, 0.0005015400000000, -0.0016220900000000 ] - [ -0.0007561200000000, -0.0018675300000000, 0.0021536500000000 ] - [ 0.0004357100000000, -0.0041740200000000, -0.0061387900000000 ] - [ -0.0002265300000000, -0.0017385100000000, 0.0006321000000000 ] - [ -0.0004342600000000, 0.0025030000000000, 0.0025287600000000 ] - [ 0.0003777000000000, 0.0009477700000000, 0.0007627000000000 ] - [ -0.0001596100000000, 0.0009998600000000, 0.0006295800000000 ] - [ -0.0003608600000000, -0.0003407800000000, 0.0008627700000000 ] - [ -0.0010710700000000, -0.0017092300000000, -0.0007615300000000 ] - [ -0.0004689100000000, -0.0001994700000000, -0.0015260100000000 ] - [ -0.0006241400000000, 0.0008085200000000, -0.0008455700000000 ] - [ -0.0008119100000000, -0.0004537600000000, 0.0010373900000000 ] - [ -0.0007101100000000, 0.0009283800000000, -0.0013645900000000 ] - [ -0.0026284300000000, -0.0030524300000000, 0.0026873100000000 ] - [ -0.0093677500000000, 0.0016926300000000, -0.0010216400000000 ] - [ -0.0020316500000000, -0.0009089700000000, 0.0010948600000000 ] - [ -0.0018828300000000, 0.0007302800000000, 0.0009185100000000 ] - [ -0.0010477200000000, 0.0000412800000000, -0.0008747200000000 ] - [ -0.0020129600000000, 0.0005312200000000, -0.0005729600000000 ] - [ -0.0014114300000000, 0.0001333900000000, 0.0001984200000000 ] - [ -0.0011219900000000, -0.0003610800000000, -0.0001357500000000 ] - [ -0.0009305700000000, 0.0007156000000000, 0.0005107700000000 ] - [ -0.0005258600000000, -0.0000712900000000, -0.0001343200000000 ] - [ -0.0030648800000000, 0.0021578600000000, 0.0008884300000000 ] - [ -0.0007416800000000, -0.0001309500000000, 0.0000547700000000 ] - [ -0.0012426800000000, 0.0004577800000000, -0.0003363700000000 ] - [ -0.0005431200000000, 0.0008222800000000, -0.0000984700000000 ] - [ -0.0034203200000000, -0.0000191300000000, -0.0023917000000000 ] - [ -0.0003822700000000, 0.0006878000000000, -0.0001199100000000 ] - [ -0.0045643100000000, -0.0003948200000000, 0.0011809600000000 ] - [ -0.0015592500000000, 0.0001862800000000, 0.0001225400000000 ] - [ -0.0011160600000000, 0.0002055900000000, -0.0003290000000000 ] - [ -0.0007970500000000, -0.0003519900000000, 0.0008373100000000 ] - [ -0.0032463500000000, 0.0012370100000000, -0.0007381100000000 ] - [ -0.0010958500000000, 0.0009263700000000, 0.0003678100000000 ] - [ -0.0005488300000000, 0.0003525600000000, 0.0008599200000000 ] - [ -0.0028913800000000, -0.0013258700000000, -0.0011527900000000 ] - [ -0.0013463700000000, -0.0003552500000000, -0.0004529500000000 ] - [ -0.0010826700000000, -0.0018973200000000, -0.0012864700000000 ] - [ -0.0010333700000000, 0.0009767100000000, 0.0008211800000000 ] - [ -0.0009744700000000, 0.0015914300000000, 0.0000688100000000 ] - [ -0.0025171600000000, 0.0009910000000000, 0.0013746400000000 ] - [ 0.0002972100000000, -0.0002346700000000, 0.0008078900000000 ] - [ 0.0002540100000000, -0.0015125200000000, 0.0002985000000000 ] - [ -0.0087076000000000, -0.0041385200000000, -0.0017892100000000 ] - [ -0.0012487900000000, 0.0000154200000000, -0.0005561100000000 ] - [ -0.0053261000000000, 0.0064450200000000, -0.0037166900000000 ] - [ 0.0003602800000000, 0.0016220400000000, -0.0006067400000000 ] - [ -0.0021180200000000, -0.0027563100000000, -0.0024579900000000 ] - [ 0.0002026300000000, 0.0005189800000000, -0.0009868000000000 ] - [ -0.0010568200000000, -0.0024073700000000, -0.0008388700000000 ] - [ -0.0010381200000000, 0.0025720600000000, 0.0009698200000000 ] - [ 0.0023083400000000, 0.0009606600000000, -0.0001689100000000 ] - [ -0.0005772200000000, 0.0014811200000000, 0.0024362900000000 ] - [ 0.0004298600000000, -0.0000741800000000, 0.0009534200000000 ] - [ 0.0006517300000000, -0.0011311600000000, -0.0000378200000000 ] - [ 0.0045430300000000, -0.0015220100000000, -0.0009900600000000 ] - [ 0.0003278700000000, 0.0002546700000000, 0.0005736800000000 ] - [ 0.1263075800000000, -0.0838497900000000, -0.0833613000000000 ] - [ 0.0795808500000000, 0.0397936100000000, 0.0632178800000000 ] - [ 0.0012435300000000, 0.0000842400000000, -0.0003732900000000 ] - [ 0.0023625400000000, 0.0016074500000000, 0.0021892800000000 ] - [ 0.0044142800000000, 0.0023658400000000, -0.0051064500000000 ] - [ 0.0001455800000000, -0.0018530500000000, -0.0011019300000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0049307600000000, 0.0033918900000000, -0.0014102700000000 ] - [ 0.0037434100000000, -0.0034397300000000, -0.0000531800000000 ] - [ 0.0005987500000000, 0.0001952700000000, 0.0001596400000000 ] - [ 0.0002958500000000, 0.0018971900000000, 0.0071786900000000 ] - [ 0.0002221400000000, 0.0006356100000000, 0.0004731900000000 ] - [ 0.0002490800000000, -0.0005434100000000, 0.0002318100000000 ] - [ -0.0003650500000000, 0.0000231500000000, 0.0001578800000000 ] - [ -0.0060806900000000, 0.0050172000000000, -0.0004047600000000 ] - [ -0.0017452700000000, -0.0003285600000000, -0.0014037800000000 ] - [ -0.0005764000000000, 0.0000903800000000, 0.0004452200000000 ] - [ -0.0005369500000000, -0.0000573000000000, -0.0005202200000000 ] - [ -0.0010595800000000, 0.0004096100000000, -0.0002691600000000 ] - [ -0.0014368600000000, 0.0001207400000000, 0.0001550700000000 ] - [ -0.0013356800000000, 0.0000480300000000, 0.0005669300000000 ] - [ -0.0020858100000000, 0.0003571300000000, -0.0005866700000000 ] - [ 0.0001960600000000, -0.0001441000000000, -0.0000013600000000 ] - [ -0.0000958300000000, -0.0002044600000000, -0.0003918000000000 ] - [ -0.0099541800000000, 0.0041813700000000, 0.0005870500000000 ] - [ -0.0007183100000000, 0.0000722000000000, -0.0008972400000000 ] - [ -0.0002128100000000, -0.0018376600000000, 0.0004086600000000 ] - [ -0.0000235500000000, -0.0000106800000000, 0.0000541600000000 ] - [ 0.0016157400000000, -0.0023880600000000, 0.0053608600000000 ] - [ 0.0018753100000000, 0.0003834900000000, 0.0014807600000000 ] - [ 0.0005175900000000, -0.0005032600000000, -0.0005778900000000 ] - [ 0.0100724900000000, 0.0078384700000000, -0.0034275000000000 ] - [ 0.0015022400000000, -0.0010305300000000, 0.0011865800000000 ] - [ -0.0198069600000000, -0.0129086800000000, -0.0051027100000000 ] - [ -0.0006074700000000, -0.0011154200000000, -0.0006746400000000 ] - [ -0.0016665300000000, 0.0002938300000000, 0.0004639300000000 ] - [ -0.0023684400000000, 0.0009770900000000, 0.0000731900000000 ] - [ -0.0028729500000000, 0.0001626200000000, 0.0005618200000000 ] - [ -0.0023213800000000, -0.0006290300000000, 0.0000268300000000 ] - [ 0.0002327200000000, 0.0017712100000000, 0.0001065800000000 ] - [ -0.0003583600000000, -0.0004053300000000, -0.0006071500000000 ] - [ -0.0069041900000000, 0.0052780200000000, -0.0189154000000000 ] - [ 0.0016847300000000, 0.0006137200000000, 0.0000656300000000 ] - [ 0.4404121800000000, -0.0339071100000000, -0.0312313500000000 ] - [ 0.0037558100000000, 0.0000512100000000, -0.0026245900000000 ] - [ 0.0012515700000000, -0.0016619300000000, -0.0059550900000000 ] - [ -0.0020056500000000, 0.0004137800000000, -0.0028848500000000 ] - [ -0.0014518000000000, -0.0045969900000000, 0.0037766800000000 ] - [ -0.0019938200000000, 0.0013152100000000, 0.0011385400000000 ] - [ -0.0109224800000000, 0.0020207200000000, 0.0008689700000000 ] - [ -0.0017364400000000, -0.0002064000000000, 0.0002830200000000 ] - [ -0.0026327100000000, -0.0002845700000000, 0.0000326300000000 ] - [ -0.0011885700000000, -0.0001505700000000, -0.0005949700000000 ] - [ -0.0040373100000000, 0.0065265100000000, -0.0015980200000000 ] - [ -0.0042420000000000, -0.0031493600000000, -0.0024019500000000 ] - [ -0.0022869200000000, 0.0023231800000000, 0.0021574900000000 ] - [ 0.0020114100000000, -0.0009034600000000, 0.0014653300000000 ] - [ 0.0015776500000000, 0.0006457700000000, 0.0001161300000000 ] - [ 0.0023442200000000, -0.0000316700000000, -0.0002069100000000 ] - [ 0.0120708200000000, -0.0148988800000000, 0.0030928600000000 ] - [ -0.0006515400000000, -0.0012373200000000, 0.0003323900000000 ] - [ -0.0003026300000000, 0.0009644400000000, -0.0012663300000000 ] - [ -0.0015477000000000, -0.0029252900000000, -0.0108001800000000 ] - [ 0.0011040100000000, -0.0001200300000000, 0.0001131200000000 ] - [ 0.0002606200000000, 0.0008488100000000, 0.0003333000000000 ] - [ -0.0004274800000000, -0.0004045100000000, 0.0005046100000000 ] - [ -0.0015480700000000, 0.0001677700000000, -0.0001551800000000 ] - [ -0.0003022200000000, -0.0002257200000000, 0.0017409900000000 ] - [ -0.0014596000000000, 0.0003996800000000, 0.0002616500000000 ] - [ -0.0006356300000000, 0.0002480300000000, -0.0004221500000000 ] - [ -0.0002458300000000, -0.0007716400000000, -0.0000994700000000 ] - [ -0.0000895400000000, -0.0007725100000000, 0.0000273600000000 ] - [ -0.0009641600000000, 0.0009706900000000, -0.0000339000000000 ] - [ -0.0000918900000000, -0.0003553800000000, 0.0006115400000000 ] - [ -0.0003167200000000, 0.0000954600000000, -0.0004388100000000 ] - [ 0.0000861300000000, -0.0001519200000000, -0.0002502100000000 ] - [ -0.0021535200000000, -0.0005660000000000, -0.0035181800000000 ] - [ -0.0006583600000000, 0.0000658600000000, 0.0004115400000000 ] - [ -0.0151927500000000, -0.0086299600000000, -0.0009011400000000 ] - [ 0.0001550300000000, -0.0000932400000000, -0.0005936700000000 ] - [ 0.0001624100000000, 0.0006885500000000, 0.0008644200000000 ] - [ 0.0004658300000000, -0.0012141100000000, -0.0009147200000000 ] - [ -0.0002117900000000, 0.0000312200000000, -0.0001823100000000 ] - [ -0.0073041100000000, 0.0093151200000000, -0.0009909900000000 ] - [ -0.0009666200000000, 0.0008807400000000, 0.0002943300000000 ] - [ -0.0008243800000000, -0.0014659900000000, 0.0008627700000000 ] - [ -0.0012131700000000, 0.0002832200000000, -0.0001344900000000 ] - [ -0.0014347900000000, -0.0001098400000000, -0.0005865900000000 ] - [ -0.0007597900000000, -0.0000340000000000, 0.0002732200000000 ] - [ -0.0771831000000000, 0.0574884100000000, -0.0377624200000000 ] - [ -0.0026484500000000, -0.0003402400000000, 0.0008691000000000 ] - [ -0.1285165800000000, -0.0613510100000000, 0.0582333700000000 ] - [ -0.0007581500000000, 0.0016503100000000, 0.0050934100000000 ] - [ 0.0015927000000000, -0.0023800600000000, 0.0019187300000000 ] - [ -0.0027776000000000, 0.0007019300000000, 0.0004871200000000 ] - [ 0.0000726300000000, 0.0002404900000000, 0.0012520900000000 ] - [ 0.0003909500000000, 0.0014971100000000, -0.0025362700000000 ] - [ 0.0000883400000000, 0.0051974700000000, 0.0066850800000000 ] - [ -0.0005080800000000, 0.0013649500000000, -0.0006729400000000 ] - [ 0.0007465300000000, -0.0027978000000000, -0.0028220400000000 ] - [ 0.0006644100000000, -0.0003769900000000, -0.0002547100000000 ] - [ 0.0014049000000000, -0.0008195900000000, 0.0006376300000000 ] - [ -0.0008780800000000, 0.0001661400000000, 0.0004066900000000 ] - [ 0.0000301400000000, 0.0011477000000000, 0.0012653800000000 ] - [ 0.0001598800000000, 0.0005098600000000, 0.0012103100000000 ] - [ 0.0013718800000000, -0.0004287400000000, 0.0008098800000000 ] - [ 0.0003010200000000, -0.0005813600000000, -0.0004726000000000 ] - [ 0.0010941400000000, -0.0005427400000000, 0.0009775300000000 ] - [ 0.0026118300000000, 0.0023086600000000, -0.0030548500000000 ] - [ 0.0103835900000000, -0.0019021400000000, 0.0015963400000000 ] - [ 0.0016676400000000, 0.0008668700000000, -0.0018400900000000 ] - [ 0.0017091100000000, 0.0005356100000000, -0.0021525300000000 ] - [ 0.0008230500000000, 0.0007279300000000, 0.0000974900000000 ] - [ 0.0014556200000000, -0.0000218400000000, -0.0004633300000000 ] - [ 0.0006386100000000, 0.0000925200000000, -0.0009654400000000 ] - [ 0.0010648200000000, 0.0003024700000000, 0.0000761000000000 ] - [ 0.0017045600000000, 0.0000665000000000, -0.0002930900000000 ] - [ 0.0008148700000000, -0.0002183900000000, -0.0001559100000000 ] - [ 0.0024713200000000, -0.0010562400000000, -0.0006696600000000 ] - [ 0.0009603200000000, -0.0004597500000000, 0.0010366200000000 ] - [ -0.0000274600000000, 0.0007844400000000, 0.0001588200000000 ] - [ 0.0018114200000000, 0.0004108800000000, 0.0002719100000000 ] - [ 0.0031924100000000, -0.0005663200000000, 0.0012868300000000 ] - [ 0.0009655700000000, 0.0003963400000000, -0.0000882800000000 ] - [ 0.0042757200000000, 0.0001010200000000, -0.0008876300000000 ] - [ 0.0007881400000000, 0.0005927900000000, -0.0003501200000000 ] - [ 0.0011775100000000, -0.0002660600000000, 0.0003914300000000 ] - [ 0.0015764800000000, 0.0005821200000000, -0.0000679600000000 ] - [ 0.0038102300000000, -0.0007354500000000, 0.0017767500000000 ] - [ 0.0013135300000000, -0.0001562800000000, 0.0004114100000000 ] - [ 0.0007232800000000, 0.0009166200000000, 0.0003810300000000 ] - [ 0.0032644100000000, 0.0013037200000000, 0.0019286200000000 ] - [ 0.0002561400000000, 0.0001368500000000, -0.0001370000000000 ] - [ 0.0011119700000000, 0.0011570700000000, 0.0016682200000000 ] - [ 0.0006521500000000, -0.0006058700000000, -0.0004494800000000 ] - [ 0.0014787300000000, -0.0026469300000000, -0.0006313700000000 ] - [ 0.0017719700000000, -0.0006333300000000, -0.0013564900000000 ] - [ 0.0000097600000000, 0.0005510200000000, -0.0005036000000000 ] - [ 0.0007787500000000, 0.0009580600000000, -0.0008111200000000 ] - [ 0.0099846300000000, 0.0040090600000000, 0.0005796200000000 ] - [ 0.0000028400000000, 0.0001588500000000, -0.0007126000000000 ] - [ 0.0042921100000000, -0.0059093600000000, 0.0032460100000000 ] - [ -0.0006819100000000, -0.0019432900000000, 0.0009253000000000 ] - [ 0.0028240600000000, 0.0023662400000000, 0.0024796400000000 ] - [ -0.0007151200000000, 0.0005235800000000, 0.0004225900000000 ] - [ 0.0014161100000000, 0.0020323800000000, 0.0012199500000000 ] - [ 0.0009876900000000, -0.0018298600000000, -0.0005944300000000 ] - [ -0.0012346600000000, -0.0007483100000000, -0.0004229400000000 ] - [ 0.0001879300000000, -0.0014360600000000, -0.0016865500000000 ] - [ -0.0006099300000000, -0.0011963900000000, 0.0002865900000000 ] - [ -0.0008781300000000, 0.0003599900000000, 0.0008166400000000 ] - [ -0.0051270100000000, 0.0010162000000000, 0.0020316700000000 ] - [ -0.0011065400000000, -0.0004808600000000, 0.0001951500000000 ] - [ -0.1283173400000000, 0.0874578300000000, 0.0869426800000000 ] - [ -0.0798354800000000, -0.0421818400000000, -0.0660590600000000 ] - [ -0.0009545400000000, 0.0002034100000000, 0.0006585200000000 ] - [ -0.0029629300000000, -0.0027082900000000, -0.0024064000000000 ] - [ -0.0041972900000000, -0.0017697900000000, 0.0039993500000000 ] - [ -0.0014194200000000, 0.0006081500000000, 0.0012717000000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003779900000000, -0.0006816100000000, -0.0000790800000000 ] - [ -0.0017007300000000, 0.0006519600000000, -0.0008309800000000 ] - [ -0.0006564700000000, -0.0004344800000000, 0.0004621400000000 ] - [ -0.0015595400000000, 0.0006122800000000, 0.0124182500000000 ] - [ 0.0076754200000000, 0.0132683200000000, -0.0024962900000000 ] - [ 0.0003052200000000, 0.0000722200000000, 0.0004234600000000 ] - [ -0.0007072700000000, -0.0011102800000000, -0.0000763300000000 ] - [ -0.0002765700000000, -0.0002636100000000, 0.0006354800000000 ] - [ 0.0003193100000000, -0.0000836200000000, -0.0021662200000000 ] - [ 0.0007133800000000, 0.0000645000000000, 0.0005616100000000 ] - [ 0.0012141800000000, 0.0001989500000000, -0.0007594300000000 ] - [ 0.0016576500000000, -0.0001573000000000, 0.0000984200000000 ] - [ 0.0009783100000000, 0.0005093500000000, 0.0001909900000000 ] - [ 0.0006209500000000, -0.0001250400000000, 0.0002386300000000 ] - [ 0.0017195900000000, 0.0002469300000000, -0.0001771800000000 ] - [ 0.0009238300000000, -0.0002368800000000, -0.0000525700000000 ] - [ 0.0006316400000000, -0.0019702000000000, -0.0001842400000000 ] - [ 0.0008935300000000, -0.0001217000000000, -0.0004975900000000 ] - [ 0.0082789400000000, 0.0037733800000000, 0.0009551000000000 ] - [ 0.0001378500000000, 0.0008009900000000, -0.0002843500000000 ] - [ -0.0006413400000000, 0.0002482900000000, -0.0001473100000000 ] - [ 0.0001580200000000, -0.0006158600000000, 0.0054488400000000 ] - [ -0.0031355600000000, -0.0046118200000000, -0.0007857100000000 ] - [ -0.0040116800000000, 0.0038209300000000, 0.0006265600000000 ] - [ -0.0021860900000000, 0.0005732500000000, 0.0005703200000000 ] - [ -0.0016844900000000, -0.0004483600000000, 0.0005070500000000 ] - [ -0.0007327600000000, -0.0003774600000000, 0.0002074600000000 ] - [ 0.0201675600000000, -0.0219881800000000, -0.0106785000000000 ] - [ 0.0004495900000000, -0.0004191200000000, 0.0000918400000000 ] - [ 0.0024321800000000, 0.0017810000000000, 0.0011888100000000 ] - [ 0.0024943900000000, 0.0011146000000000, 0.0001319400000000 ] - [ 0.0030640200000000, -0.0003248000000000, -0.0005789800000000 ] - [ 0.0009707500000000, -0.0010408100000000, 0.0001607500000000 ] - [ 0.0001094200000000, 0.0019662000000000, -0.0001038300000000 ] - [ 0.0079990600000000, 0.0020609300000000, -0.0138003200000000 ] - [ -0.0026022800000000, -0.0039055700000000, 0.0002308000000000 ] - [ -0.0038270100000000, -0.0000559200000000, -0.0019816400000000 ] - [ -0.4543231800000000, -0.0425414200000000, -0.0459603100000000 ] - [ -0.0032153600000000, 0.0020466900000000, -0.0018129000000000 ] - [ 0.0017449900000000, -0.0038198000000000, -0.0042487400000000 ] - [ 0.0026646900000000, 0.0031580300000000, 0.0030877100000000 ] - [ 0.0008346000000000, -0.0057280200000000, 0.0067637700000000 ] - [ 0.0009826000000000, -0.0000107900000000, 0.0004554400000000 ] - [ 0.0109958700000000, 0.0025549300000000, 0.0007019500000000 ] - [ 0.0011252200000000, -0.0006549200000000, -0.0002116700000000 ] - [ 0.0024715100000000, -0.0004532500000000, -0.0005682100000000 ] - [ 0.0036664200000000, -0.0025189200000000, -0.0006814700000000 ] - [ 0.0044831100000000, 0.0045189800000000, -0.0028117700000000 ] - [ 0.0030932400000000, -0.0015892200000000, 0.0023508800000000 ] - [ 0.0026237900000000, 0.0024071200000000, 0.0027164900000000 ] - [ -0.0015848600000000, 0.0005688100000000, -0.0000094000000000 ] - [ -0.0015112800000000, 0.0009220200000000, -0.0001178500000000 ] - [ -0.0005062200000000, 0.0003568100000000, -0.0005522900000000 ] - [ -0.0009229600000000, -0.0009825600000000, 0.0002072500000000 ] - [ -0.0030402900000000, -0.0003237800000000, -0.0028873900000000 ] - [ -0.0002048500000000, -0.0004390200000000, -0.0003495100000000 ] - [ -0.0001436100000000, 0.0001692000000000, 0.0001416200000000 ] - [ 0.0004993300000000, 0.0001422500000000, -0.0001902900000000 ] - [ -0.0003347700000000, 0.0001380200000000, 0.0000307100000000 ] - [ -0.0004323900000000, -0.0001495400000000, 0.0001612500000000 ] - [ 0.0019240600000000, 0.0008275800000000, 0.0012731800000000 ] - [ -0.0003240700000000, 0.0008828400000000, 0.0003664600000000 ] - [ -0.0000206500000000, 0.0003449500000000, -0.0003805300000000 ] - [ 0.0008729100000000, -0.0024815500000000, -0.0006442200000000 ] - [ 0.0002298600000000, -0.0007288700000000, -0.0000037600000000 ] - [ 0.0007014700000000, 0.0002218400000000, 0.0003622700000000 ] - [ 0.0005900200000000, 0.0006376400000000, 0.0001970900000000 ] - [ 0.0002320300000000, 0.0000302900000000, -0.0009460500000000 ] - [ 0.0046075900000000, 0.0014670900000000, 0.0012311900000000 ] - [ 0.0007547100000000, -0.0001884600000000, -0.0001903900000000 ] - [ 0.0016779000000000, -0.0030270600000000, 0.0031348400000000 ] - [ -0.0002703300000000, 0.0002169300000000, -0.0003752800000000 ] - [ -0.0000938800000000, -0.0001043600000000, -0.0009213400000000 ] - [ -0.0003697000000000, -0.0004174300000000, 0.0004120400000000 ] - [ 0.0000487200000000, 0.0028603400000000, -0.0016287400000000 ] - [ 0.0006420100000000, 0.0014962900000000, 0.0001672300000000 ] - [ 0.0018806700000000, 0.0003499800000000, 0.0003010100000000 ] - [ 0.0008913700000000, 0.0001115300000000, 0.0000964800000000 ] - [ 0.0366671900000000, 0.0121752700000000, -0.0024324800000000 ] - [ 0.0005043300000000, 0.0001151100000000, -0.0000543900000000 ] - [ 0.0010213400000000, -0.0003648500000000, 0.0005665400000000 ] - [ 0.0011397200000000, -0.0000272800000000, -0.0001771000000000 ] - [ 0.0019958800000000, -0.0005728900000000, 0.0008404500000000 ] - [ 0.0023201800000000, -0.0003363700000000, -0.0011440900000000 ] - [ 0.0025219500000000, 0.0001683200000000, 0.0001032300000000 ] - [ 0.0037984000000000, -0.0002208700000000, 0.0012434100000000 ] - [ 0.0020794000000000, 0.0012912100000000, 0.0020438700000000 ] - [ 0.2124898200000000, -0.0490921400000000, 0.0142605900000000 ] - [ 0.0015264000000000, 0.0062810000000000, 0.0079044900000000 ] - [ 0.0000570500000000, -0.0039106100000000, -0.0039008000000000 ] - [ 0.0010156500000000, 0.0005179900000000, 0.0007468200000000 ] - [ 0.0006201600000000, -0.0018418200000000, -0.0015375700000000 ] - [ 0.0008476200000000, 0.0012091200000000, -0.0026342200000000 ] - [ 0.0016687300000000, 0.0026037000000000, -0.0005575200000000 ] - [ 0.0004731900000000, 0.0003259000000000, 0.0006749300000000 ] - [ 0.0000417300000000, -0.0008633600000000, 0.0007656100000000 ] - [ -0.0000878600000000, -0.0004259900000000, 0.0005291700000000 ] - [ 0.0001813600000000, -0.0016274800000000, 0.0018137200000000 ] - [ -0.0004866300000000, 0.0015839300000000, 0.0006764500000000 ] - [ -0.0036766300000000, 0.0067979700000000, -0.0046863500000000 ] - [ -0.0004437400000000, 0.0005273300000000, 0.0011810700000000 ] - [ -0.0005836600000000, -0.0006952100000000, -0.0019225100000000 ] - [ 0.0001812800000000, -0.0000829000000000, 0.0002874500000000 ] - [ -0.0014838200000000, -0.0007386700000000, -0.0005113100000000 ] - [ -0.0021634000000000, -0.0002938200000000, -0.0025176200000000 ] - [ -0.0096738000000000, -0.0005447200000000, 0.0011885300000000 ] - [ -0.0027473100000000, 0.0009839800000000, -0.0026372900000000 ] - [ -0.0046841600000000, -0.0012521700000000, -0.0006975600000000 ] - [ -0.0006601100000000, -0.0000546900000000, -0.0002533200000000 ] - [ -0.0003888600000000, 0.0006303400000000, 0.0004709900000000 ] - [ -0.0009210800000000, 0.0004019900000000, 0.0001441600000000 ] - [ -0.0010074800000000, 0.0003843100000000, 0.0000957200000000 ] - [ -0.0007190300000000, -0.0000712100000000, 0.0004303600000000 ] - [ -0.0017478800000000, 0.0018311100000000, 0.0005000000000000 ] - [ 0.0000206000000000, 0.0007532300000000, 0.0000557200000000 ] - [ -0.0011495000000000, -0.0004402900000000, -0.0005885800000000 ] - [ -0.0008429100000000, 0.0003217300000000, 0.0001535400000000 ] - [ -0.0010502300000000, -0.0003287400000000, 0.0001044800000000 ] - [ -0.0056169700000000, -0.0015130100000000, 0.0010259700000000 ] - [ -0.0038863100000000, 0.0002456700000000, -0.0008782700000000 ] - [ -0.0004209800000000, 0.0001178700000000, 0.0003960500000000 ] - [ -0.0025333200000000, 0.0002994100000000, -0.0002175700000000 ] - [ -0.0007922100000000, 0.0007822700000000, 0.0002451700000000 ] - [ -0.0005811300000000, 0.0004468700000000, 0.0008974700000000 ] - [ -0.0025924200000000, -0.0004403000000000, 0.0015924300000000 ] - [ -0.0020219400000000, -0.0006385800000000, -0.0002573500000000 ] - [ -0.0015942800000000, -0.0018545500000000, -0.0000808200000000 ] - [ -0.0012855400000000, 0.0009890400000000, -0.0002485900000000 ] - [ -0.0005672100000000, 0.0000869300000000, 0.0004104400000000 ] - [ -0.0015283500000000, 0.0001440400000000, -0.0003523600000000 ] - [ -0.0009615900000000, -0.0006829800000000, -0.0006332000000000 ] - [ -0.0014813000000000, -0.0008922100000000, -0.0015512000000000 ] - [ -0.0000165200000000, -0.0002328400000000, -0.0005040900000000 ] - [ -0.0073213500000000, 0.0020770000000000, -0.0029771400000000 ] - [ -0.0024968200000000, 0.0020565800000000, 0.0008100100000000 ] - [ -0.0014240600000000, 0.0009567900000000, 0.0010768600000000 ] - [ -0.0035099500000000, -0.0050221400000000, 0.0030111600000000 ] - [ -0.0016072200000000, -0.0012943100000000, -0.0010965700000000 ] - [ -0.0002279200000000, -0.0015953000000000, 0.0011384700000000 ] - [ -0.0002501500000000, 0.0012430500000000, -0.0008310200000000 ] - [ 0.0011051500000000, 0.0002754300000000, -0.0002884100000000 ] - [ -0.0006066700000000, 0.0030525200000000, -0.0017132800000000 ] - [ 0.0002000500000000, -0.0005886700000000, 0.0007313100000000 ] - [ 0.0005464500000000, -0.0014685200000000, -0.0000015700000000 ] - [ -0.0001864500000000, -0.0018677500000000, -0.0016352300000000 ] - [ 0.0007956400000000, -0.0009150100000000, 0.0004832100000000 ] - [ 0.0008381500000000, 0.0002558100000000, 0.0000445800000000 ] - [ 0.0016320900000000, -0.0010178200000000, 0.0033765600000000 ] - [ 0.1276500200000000, 0.0856088700000000, 0.0859643600000000 ] - [ 0.0003498900000000, -0.0010084700000000, -0.0001766200000000 ] - [ 0.0502912100000000, -0.0025510800000000, -0.0479588600000000 ] - [ 0.0006928100000000, -0.0032347400000000, 0.0015348000000000 ]- atom: 38 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008483300000000, -0.0001490400000000, -0.0000744200000000 ] - [ 0.0011040800000000, -0.0005537600000000, -0.0001731400000000 ] - [ 0.0005011800000000, -0.0000356900000000, 0.0003703700000000 ] - [ 0.0025585900000000, -0.0000408200000000, -0.0122364700000000 ] - [ -0.0074653900000000, -0.0121225400000000, 0.0030527500000000 ] - [ 0.0005219700000000, 0.0000804000000000, 0.0000496400000000 ] - [ -0.0001276700000000, 0.0009593800000000, 0.0005488300000000 ] - [ 0.0001815000000000, -0.0007365200000000, -0.0000360200000000 ] - [ -0.0013232200000000, -0.0005161900000000, 0.0022494500000000 ] - [ -0.0005629400000000, 0.0004085300000000, 0.0002701000000000 ] - [ -0.0006194600000000, -0.0002871800000000, -0.0002446400000000 ] - [ -0.0021303500000000, 0.0009838600000000, -0.0002510000000000 ] - [ -0.0005100000000000, 0.0003205900000000, -0.0000357800000000 ] - [ -0.0012206400000000, 0.0000333200000000, 0.0007612500000000 ] - [ -0.0018735900000000, 0.0002226300000000, -0.0006480700000000 ] - [ 0.0000765900000000, -0.0003600600000000, -0.0000370400000000 ] - [ -0.0005365700000000, 0.0009840800000000, -0.0004134500000000 ] - [ -0.0000621000000000, -0.0000303600000000, 0.0000255600000000 ] - [ -0.0091949300000000, -0.0036796000000000, -0.0014394800000000 ] - [ -0.0002279100000000, 0.0001998600000000, -0.0003137200000000 ] - [ -0.0003582300000000, 0.0003498200000000, 0.0000584100000000 ] - [ 0.0000131300000000, 0.0001438900000000, -0.0062937300000000 ] - [ 0.0037480300000000, 0.0046668300000000, 0.0017653800000000 ] - [ 0.0035470500000000, -0.0046524000000000, -0.0004712100000000 ] - [ 0.0026075700000000, -0.0016753300000000, 0.0000689300000000 ] - [ 0.0023152800000000, 0.0000301800000000, 0.0005932400000000 ] - [ 0.0018280900000000, 0.0010121400000000, -0.0006273500000000 ] - [ -0.0211259400000000, 0.0212759200000000, 0.0102798200000000 ] - [ -0.0010910100000000, 0.0008460800000000, 0.0010144100000000 ] - [ -0.0028543100000000, -0.0006673700000000, -0.0005461300000000 ] - [ -0.0020737300000000, -0.0000090700000000, -0.0007693300000000 ] - [ -0.0024296000000000, 0.0007453700000000, -0.0005390100000000 ] - [ 0.0001359000000000, 0.0004050400000000, 0.0002633200000000 ] - [ -0.0012108200000000, -0.0013317100000000, 0.0005301700000000 ] - [ -0.0085898500000000, -0.0024841800000000, 0.0127799100000000 ] - [ 0.0022316000000000, 0.0027734200000000, -0.0008435100000000 ] - [ 0.0031464100000000, 0.0007186300000000, 0.0026352700000000 ] - [ 0.4438157000000000, 0.0517665000000000, 0.0484685200000000 ] - [ 0.0022690600000000, -0.0011265700000000, 0.0008975200000000 ] - [ -0.0022435100000000, 0.0033107000000000, 0.0047341200000000 ] - [ -0.0021399000000000, -0.0026312400000000, -0.0025559900000000 ] - [ 0.0000694800000000, 0.0048161900000000, -0.0076810400000000 ] - [ -0.0015358300000000, -0.0005365900000000, 0.0000881500000000 ] - [ -0.0103427700000000, -0.0032448500000000, -0.0000387000000000 ] - [ -0.0017950900000000, -0.0000116700000000, -0.0004567300000000 ] - [ -0.0019251500000000, -0.0000846600000000, 0.0000197600000000 ] - [ -0.0045700600000000, 0.0016071500000000, 0.0016067700000000 ] - [ -0.0049952800000000, -0.0040391800000000, 0.0023203600000000 ] - [ -0.0025930000000000, 0.0010939800000000, -0.0028674000000000 ] - [ -0.0016844100000000, -0.0015044900000000, -0.0018104400000000 ] - [ 0.0010395400000000, -0.0000186100000000, -0.0005360100000000 ] - [ 0.0021790300000000, -0.0002641300000000, -0.0005588600000000 ] - [ 0.0006925000000000, 0.0010943500000000, 0.0005913000000000 ] - [ 0.0012035300000000, 0.0000658900000000, -0.0006706200000000 ] - [ 0.0034851500000000, 0.0000389900000000, 0.0019780700000000 ] - [ 0.0001630000000000, 0.0002448800000000, 0.0017995500000000 ] - [ 0.0015882000000000, -0.0001239800000000, 0.0000502100000000 ] - [ 0.0004121700000000, 0.0003245600000000, 0.0004801300000000 ] - [ -0.0005817700000000, -0.0005998100000000, 0.0002558000000000 ] - [ -0.0010248200000000, 0.0001060000000000, 0.0000311700000000 ] - [ -0.0018795000000000, -0.0006395200000000, 0.0001842600000000 ] - [ -0.0001425800000000, -0.0005936700000000, -0.0012776900000000 ] - [ -0.0002721800000000, 0.0005674200000000, -0.0000860100000000 ] - [ -0.0010660800000000, 0.0010259600000000, 0.0006866600000000 ] - [ -0.0000388100000000, -0.0007249700000000, -0.0000406900000000 ] - [ -0.0004149200000000, 0.0006930700000000, 0.0001032600000000 ] - [ -0.0001257200000000, -0.0003489400000000, 0.0007174400000000 ] - [ -0.0002779900000000, 0.0001630900000000, -0.0005070000000000 ] - [ -0.0031957200000000, -0.0015337400000000, -0.0014382200000000 ] - [ 0.0001599500000000, -0.0002766100000000, -0.0000944900000000 ] - [ -0.0025936000000000, 0.0035285000000000, -0.0034690500000000 ] - [ -0.0011782700000000, -0.0001706500000000, 0.0001817100000000 ] - [ 0.0001387200000000, -0.0000886700000000, -0.0005293800000000 ] - [ -0.0000965600000000, 0.0001319000000000, 0.0005039100000000 ] - [ -0.0003164600000000, -0.0037748400000000, 0.0020945400000000 ] - [ -0.0008358000000000, -0.0000401700000000, -0.0002109400000000 ] - [ -0.0005983500000000, -0.0015822700000000, -0.0004723000000000 ] - [ -0.0011153800000000, 0.0004787600000000, 0.0009935200000000 ] - [ -0.0362053100000000, -0.0141283500000000, 0.0029089400000000 ] - [ -0.0007939200000000, 0.0001717700000000, -0.0002336600000000 ] - [ -0.0017838300000000, -0.0004132300000000, -0.0003384200000000 ] - [ -0.0010771200000000, 0.0000895200000000, 0.0001149500000000 ] - [ -0.0012095800000000, 0.0003476600000000, -0.0016041600000000 ] - [ -0.0017483800000000, -0.0001595300000000, 0.0000801200000000 ] - [ -0.0022807800000000, -0.0009266100000000, -0.0008745400000000 ] - [ -0.0036105900000000, -0.0010535200000000, -0.0024889600000000 ] - [ -0.0017057400000000, -0.0012640900000000, -0.0027935700000000 ] - [ -0.2011086200000000, 0.0452312800000000, -0.0127092500000000 ] - [ -0.0014935600000000, -0.0055105400000000, -0.0082422300000000 ] - [ -0.0004463100000000, 0.0034796000000000, 0.0034713200000000 ] - [ -0.0005038600000000, 0.0005177400000000, -0.0001929500000000 ] - [ -0.0013590400000000, 0.0014501800000000, 0.0014963900000000 ] - [ -0.0005324400000000, -0.0015185000000000, 0.0023229000000000 ] - [ -0.0006223000000000, -0.0020486200000000, 0.0010603700000000 ] - [ 0.0007690700000000, -0.0001505300000000, 0.0006042600000000 ] - [ -0.0012758200000000, 0.0006794800000000, 0.0005159400000000 ] - [ -0.0009515600000000, -0.0001325400000000, -0.0000250800000000 ] - [ -0.0004863900000000, 0.0019286600000000, -0.0021096000000000 ] - [ 0.0012378200000000, -0.0012144600000000, -0.0007111900000000 ] - [ 0.0031811000000000, -0.0078585000000000, 0.0052483900000000 ] - [ 0.0008260000000000, -0.0001488800000000, -0.0015609000000000 ] - [ 0.0005386100000000, -0.0000520900000000, 0.0015439500000000 ] - [ 0.0009047700000000, -0.0001270600000000, 0.0002961200000000 ] - [ 0.0011032600000000, 0.0007001200000000, -0.0002350300000000 ] - [ 0.0019829900000000, 0.0015760600000000, 0.0012733400000000 ] - [ 0.0094692600000000, 0.0013232100000000, -0.0019850300000000 ] - [ 0.0021981000000000, -0.0004783100000000, 0.0016029100000000 ] - [ 0.0038835500000000, 0.0014802300000000, -0.0000695000000000 ] - [ 0.0005957700000000, -0.0000088300000000, 0.0001898200000000 ] - [ 0.0011545900000000, 0.0001511700000000, -0.0002467000000000 ] - [ 0.0012080400000000, -0.0006913200000000, -0.0004320700000000 ] - [ 0.0004216600000000, 0.0007029100000000, 0.0001167900000000 ] - [ 0.0009368500000000, -0.0005208500000000, 0.0006592100000000 ] - [ 0.0004711300000000, -0.0005891200000000, -0.0006727900000000 ] - [ 0.0012582200000000, 0.0004874600000000, 0.0001212400000000 ] - [ 0.0009258700000000, -0.0001510600000000, -0.0004973100000000 ] - [ 0.0014331100000000, 0.0007581800000000, -0.0003725800000000 ] - [ 0.0007613900000000, 0.0000420100000000, 0.0001822200000000 ] - [ 0.0048716200000000, 0.0023130200000000, -0.0012369800000000 ] - [ 0.0039579900000000, -0.0003016700000000, 0.0009424300000000 ] - [ 0.0011987600000000, 0.0001103600000000, 0.0003688000000000 ] - [ 0.0030835200000000, 0.0001998900000000, 0.0012568800000000 ] - [ 0.0010150800000000, -0.0000176100000000, 0.0005397800000000 ] - [ 0.0007551500000000, 0.0008330100000000, 0.0003419500000000 ] - [ 0.0029657300000000, 0.0004030300000000, -0.0008508200000000 ] - [ 0.0009321000000000, 0.0004201800000000, -0.0003307200000000 ] - [ 0.0016302000000000, 0.0011122600000000, 0.0004543600000000 ] - [ 0.0009041700000000, -0.0006154200000000, 0.0006326300000000 ] - [ 0.0010666500000000, -0.0011311300000000, -0.0009695700000000 ] - [ 0.0007782600000000, 0.0002314500000000, 0.0003855600000000 ] - [ 0.0012672000000000, 0.0009961600000000, 0.0009473400000000 ] - [ 0.0025227200000000, 0.0003487500000000, 0.0010640000000000 ] - [ 0.0012484900000000, 0.0000553400000000, -0.0007759000000000 ] - [ 0.0061556800000000, -0.0019252300000000, 0.0017346700000000 ] - [ 0.0014355000000000, -0.0014933200000000, -0.0013178200000000 ] - [ 0.0011040400000000, -0.0012713100000000, -0.0007701300000000 ] - [ 0.0042532700000000, 0.0046705700000000, -0.0030071000000000 ] - [ 0.0010896200000000, 0.0023373100000000, 0.0005436000000000 ] - [ 0.0005995100000000, 0.0012226000000000, -0.0007649400000000 ] - [ 0.0002122000000000, -0.0005004400000000, 0.0012101500000000 ] - [ -0.0000243600000000, -0.0000588400000000, -0.0003004300000000 ] - [ 0.0002157200000000, -0.0030280900000000, 0.0024749800000000 ] - [ -0.0003801800000000, -0.0006921500000000, 0.0005064900000000 ] - [ -0.0007825900000000, 0.0007043600000000, 0.0007834800000000 ] - [ -0.0003908700000000, 0.0013583800000000, 0.0026736300000000 ] - [ -0.0015940500000000, 0.0007052800000000, 0.0002794400000000 ] - [ -0.0009029600000000, -0.0001890800000000, 0.0000203700000000 ] - [ -0.0008725000000000, 0.0002230400000000, -0.0035716400000000 ] - [ -0.1292455200000000, -0.0889628100000000, -0.0892891300000000 ] - [ -0.0009452700000000, -0.0000848100000000, -0.0000469400000000 ] - [ -0.0496214600000000, 0.0031478600000000, 0.0472039600000000 ] - [ -0.0019830600000000, 0.0019821900000000, -0.0013545700000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0079380600000000, 0.0014409700000000, 0.0114720500000000 ] - [ -0.0005124400000000, -0.0000354800000000, -0.0005090600000000 ] - [ -0.0024587200000000, -0.0112534700000000, 0.0019054600000000 ] - [ -0.0001152100000000, 0.0004562800000000, 0.0000342500000000 ] - [ -0.0047325600000000, 0.0005962700000000, 0.0043516500000000 ] - [ -0.0034427000000000, -0.0001265200000000, -0.0036961900000000 ] - [ -0.0017943800000000, 0.0000834800000000, 0.0009241700000000 ] - [ -0.0006103500000000, -0.0002253900000000, 0.0000385800000000 ] - [ -0.0005980600000000, -0.0066164000000000, -0.0011478100000000 ] - [ -0.0001227600000000, 0.0002901700000000, 0.0002803200000000 ] - [ 0.0102298800000000, -0.0008595600000000, 0.0035769000000000 ] - [ -0.0000303700000000, 0.0004546100000000, 0.0002651100000000 ] - [ 0.0006017400000000, 0.0000215400000000, -0.0014954500000000 ] - [ 0.0002361300000000, 0.0002787800000000, 0.0004458800000000 ] - [ 0.0002746500000000, 0.0002399600000000, -0.0003446800000000 ] - [ 0.0025618400000000, -0.0004303400000000, -0.0000670500000000 ] - [ 0.0019057000000000, -0.0006015000000000, -0.0008207700000000 ] - [ 0.0013331100000000, 0.0000309400000000, -0.0000590000000000 ] - [ 0.0003913800000000, 0.0002764500000000, -0.0003001400000000 ] - [ 0.0006678700000000, 0.0004524700000000, -0.0002397300000000 ] - [ 0.0000902300000000, 0.0002661100000000, -0.0002105600000000 ] - [ 0.0008759700000000, 0.0019312300000000, -0.0002653300000000 ] - [ 0.0002783300000000, 0.0000091700000000, -0.0004554700000000 ] - [ -0.0005075700000000, -0.0007554200000000, 0.0003335800000000 ] - [ -0.0008743500000000, -0.0004477100000000, -0.0004397300000000 ] - [ -0.0012904600000000, -0.0006289400000000, -0.0000067100000000 ] - [ -0.0022025500000000, 0.0020745600000000, -0.0007221000000000 ] - [ -0.0022284100000000, -0.0004045300000000, 0.0010074300000000 ] - [ 0.0085504000000000, 0.0137845600000000, 0.0025345800000000 ] - [ 0.0001720300000000, 0.0006516100000000, 0.0021225900000000 ] - [ 0.0005130400000000, 0.0010029200000000, -0.0010735300000000 ] - [ 0.0029191600000000, 0.0001077500000000, -0.0008873000000000 ] - [ 0.0036619200000000, -0.0010729000000000, 0.0010852900000000 ] - [ 0.0015223500000000, 0.0002526900000000, 0.0005838700000000 ] - [ 0.0007610700000000, 0.0000074200000000, -0.0008611700000000 ] - [ 0.0226749700000000, 0.0063157300000000, -0.0195814000000000 ] - [ -0.0020333400000000, 0.0023791100000000, 0.0016811400000000 ] - [ -0.0024631100000000, 0.0074824900000000, -0.0017915200000000 ] - [ -0.4350879500000000, 0.0504482700000000, -0.0545700000000000 ] - [ -0.0041391300000000, 0.0023818200000000, -0.0003046400000000 ] - [ -0.0012272000000000, -0.0004602700000000, 0.0012112600000000 ] - [ -0.0007581100000000, -0.0008350900000000, -0.0003943200000000 ] - [ 0.0001014100000000, -0.0014203700000000, -0.0013196500000000 ] - [ 0.0027683200000000, -0.0019401600000000, 0.0021133600000000 ] - [ 0.0032322300000000, 0.0006826900000000, -0.0024540600000000 ] - [ 0.0043907100000000, 0.0010883600000000, 0.0050160400000000 ] - [ 0.0014857600000000, -0.0003956800000000, 0.0001740000000000 ] - [ 0.0012456800000000, 0.0002815400000000, -0.0004747900000000 ] - [ 0.0107107500000000, -0.0008660700000000, 0.0026787000000000 ] - [ 0.0017460300000000, 0.0001787500000000, 0.0008360500000000 ] - [ 0.0018769000000000, -0.0019810800000000, 0.0016740300000000 ] - [ -0.0012112900000000, -0.0051789900000000, -0.0072985300000000 ] - [ -0.0001106600000000, 0.0009068300000000, 0.0000893600000000 ] - [ -0.0004107100000000, -0.0006525100000000, 0.0000406600000000 ] - [ -0.0003226900000000, 0.0001107000000000, -0.0011760200000000 ] - [ -0.0001926400000000, 0.0001384700000000, 0.0006317100000000 ] - [ -0.0014209700000000, -0.0001188800000000, -0.0007296000000000 ] - [ -0.0004513700000000, 0.0009843200000000, 0.0001794600000000 ] - [ -0.0005242700000000, 0.0001253300000000, 0.0005565600000000 ] - [ -0.0009184700000000, 0.0008065300000000, -0.0003826600000000 ] - [ -0.0002855900000000, -0.0001808500000000, 0.0014777400000000 ] - [ -0.0004081000000000, 0.0005385000000000, -0.0003637000000000 ] - [ 0.0002242000000000, 0.0008937000000000, 0.0000047000000000 ] - [ 0.0000376100000000, -0.0009890700000000, -0.0000424700000000 ] - [ 0.0015493200000000, 0.0012730500000000, -0.0006345900000000 ] - [ 0.0026089700000000, -0.0020132100000000, 0.0012594600000000 ] - [ 0.0004639700000000, 0.0003849700000000, 0.0004021400000000 ] - [ 0.0002644500000000, -0.0000382400000000, -0.0011658500000000 ] - [ 0.0023482500000000, 0.0003142200000000, 0.0004091800000000 ] - [ 0.0007278200000000, -0.0002211300000000, -0.0000514800000000 ] - [ 0.0008323700000000, 0.0009133500000000, -0.0017649600000000 ] - [ -0.0003106300000000, 0.0001673700000000, -0.0001572600000000 ] - [ 0.0016682900000000, -0.0009240200000000, -0.0006900800000000 ] - [ 0.0015600200000000, -0.0001470200000000, 0.0012483900000000 ] - [ 0.0001785700000000, -0.0005058600000000, 0.0001293300000000 ] - [ -0.0002500800000000, 0.0001595000000000, -0.0002162100000000 ] - [ 0.0011610900000000, -0.0006798300000000, -0.0006723000000000 ] - [ -0.0001407900000000, 0.0008387500000000, -0.0004412800000000 ] - [ 0.0008178000000000, -0.0082940900000000, 0.0068230000000000 ] - [ -0.0002406000000000, 0.0032403200000000, -0.0031168500000000 ] - [ 0.0016874000000000, -0.0001176200000000, 0.0019888800000000 ] - [ 0.0008970900000000, 0.0025518700000000, 0.0016063300000000 ] - [ 0.0012069100000000, -0.0010012600000000, -0.0000940800000000 ] - [ 0.1858945400000000, -0.0268990200000000, -0.0527970200000000 ] - [ 0.0010148500000000, -0.0007243900000000, -0.0007205700000000 ] - [ 0.0027703800000000, -0.0016251700000000, 0.0005621000000000 ] - [ 0.0026855600000000, -0.0004483700000000, -0.0000553000000000 ] - [ 0.0027534800000000, -0.0013119400000000, -0.0000702800000000 ] - [ 0.0016107600000000, -0.0007633200000000, -0.0007178700000000 ] - [ 0.0007997400000000, -0.0000409200000000, -0.0003899100000000 ] - [ 0.0414269800000000, 0.0078931500000000, 0.0281730200000000 ] - [ 0.0007985600000000, -0.0001700000000000, -0.0000119800000000 ] - [ 0.0007436000000000, -0.0002858100000000, -0.0001452700000000 ] - [ 0.0014655000000000, 0.0008875200000000, 0.0002646900000000 ] - [ 0.0016232500000000, -0.0013014800000000, 0.0014269300000000 ] - [ 0.0030244200000000, -0.0012709400000000, -0.0003339900000000 ] - [ 0.0543786800000000, 0.0537085900000000, -0.0069329300000000 ] - [ 0.1263704500000000, -0.0850688200000000, 0.0849015900000000 ] - [ 0.0020185000000000, -0.0040107300000000, -0.0012043400000000 ] - [ 0.0002923300000000, -0.0004556600000000, -0.0001921000000000 ] - [ 0.0010674700000000, -0.0000824800000000, 0.0001083900000000 ] - [ 0.0016266500000000, -0.0001846800000000, -0.0019480600000000 ] - [ 0.0018580700000000, -0.0004269900000000, 0.0018380500000000 ] - [ 0.0007858600000000, 0.0004006200000000, -0.0012179000000000 ] - [ 0.0002910800000000, 0.0005690000000000, -0.0011631500000000 ] - [ -0.0005679600000000, 0.0017413000000000, -0.0017124100000000 ] - [ 0.0002529200000000, 0.0001579500000000, -0.0002669300000000 ] - [ -0.0013216200000000, 0.0008325700000000, -0.0020718500000000 ] - [ -0.0011366900000000, -0.0007100300000000, 0.0013867900000000 ] - [ -0.0012951100000000, -0.0004730700000000, 0.0019209300000000 ] - [ -0.0001155800000000, -0.0006834600000000, -0.0014684200000000 ] - [ -0.0003261900000000, 0.0006133200000000, 0.0004857400000000 ] - [ -0.0041318700000000, -0.0024805800000000, -0.0035859000000000 ] - [ -0.0011701600000000, 0.0004354400000000, -0.0002173700000000 ] - [ -0.0049630800000000, 0.0020127300000000, 0.0019340000000000 ] - [ -0.0011412400000000, 0.0004342400000000, 0.0001954400000000 ] - [ -0.0011943100000000, 0.0005964200000000, -0.0017792100000000 ] - [ -0.0005854200000000, 0.0001259500000000, 0.0007396100000000 ] - [ -0.0026371000000000, 0.0012363600000000, -0.0007959000000000 ] - [ -0.0009155600000000, 0.0004688600000000, -0.0006229700000000 ] - [ -0.0006886000000000, -0.0007764600000000, 0.0014323300000000 ] - [ -0.0009632000000000, 0.0002359700000000, 0.0000075900000000 ] - [ -0.0026651800000000, -0.0002383200000000, 0.0009871200000000 ] - [ -0.0004705100000000, 0.0006058600000000, 0.0009184500000000 ] - [ -0.0006709700000000, -0.0000013900000000, 0.0006628800000000 ] - [ -0.0038810400000000, -0.0008873800000000, -0.0010375300000000 ] - [ -0.0007529400000000, -0.0005198200000000, 0.0001271500000000 ] - [ -0.0040905800000000, 0.0010071200000000, 0.0002850300000000 ] - [ -0.0008326100000000, -0.0005548300000000, -0.0001845900000000 ] - [ -0.0052127500000000, -0.0006073800000000, -0.0017348000000000 ] - [ -0.0007736600000000, 0.0001368900000000, -0.0000807500000000 ] - [ -0.0004399500000000, -0.0001622500000000, -0.0003642300000000 ] - [ -0.0000384300000000, -0.0001981900000000, -0.0006688000000000 ] - [ -0.0028560600000000, -0.0005122300000000, 0.0001923600000000 ] - [ -0.0013233700000000, 0.0005773400000000, -0.0001689800000000 ] - [ -0.0011168000000000, -0.0003945900000000, 0.0006950300000000 ] - [ -0.0004649200000000, -0.0005414900000000, 0.0001594900000000 ] - [ -0.0009120100000000, 0.0006852300000000, -0.0005340900000000 ] - [ -0.0004503600000000, -0.0000609100000000, 0.0002070400000000 ] - [ -0.0041645100000000, 0.0005461500000000, -0.0012154500000000 ] - [ -0.0007212100000000, 0.0003528400000000, -0.0007661000000000 ] - [ -0.0096826700000000, -0.0016690800000000, -0.0007223600000000 ] - [ -0.0031865500000000, 0.0007629000000000, 0.0000278300000000 ] - [ -0.0015536700000000, 0.0016394000000000, 0.0018025200000000 ] - [ -0.0006201000000000, -0.0003629000000000, 0.0005445700000000 ] - [ -0.0039641100000000, 0.0053632600000000, 0.0061278800000000 ] - [ -0.0000966500000000, -0.0019137000000000, -0.0015749300000000 ] - [ 0.0002320000000000, -0.0009643700000000, -0.0004541100000000 ] - [ 0.0001770900000000, -0.0015980600000000, 0.0003293300000000 ] - [ -0.0005383100000000, 0.0007961200000000, -0.0000047900000000 ] - [ -0.0002402200000000, -0.0011608400000000, 0.0014532700000000 ] - [ -0.0006120300000000, -0.0001580600000000, 0.0003329000000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0075861300000000, -0.0022911900000000, -0.0117664800000000 ] - [ -0.0000862900000000, 0.0001254300000000, -0.0004928300000000 ] - [ 0.0023079300000000, 0.0108655200000000, -0.0010598600000000 ] - [ 0.0011147900000000, 0.0001448100000000, 0.0000526000000000 ] - [ 0.0048143000000000, 0.0004029600000000, -0.0037479900000000 ] - [ 0.0042618100000000, 0.0002555400000000, 0.0041987500000000 ] - [ 0.0009622200000000, -0.0002394700000000, -0.0004564500000000 ] - [ 0.0005188900000000, -0.0007757900000000, 0.0005631200000000 ] - [ -0.0004264000000000, 0.0060030700000000, 0.0012385500000000 ] - [ 0.0002707500000000, 0.0001807700000000, 0.0005483400000000 ] - [ -0.0095337700000000, 0.0007629400000000, -0.0045122000000000 ] - [ -0.0004424000000000, 0.0003736900000000, -0.0004193600000000 ] - [ -0.0001380600000000, 0.0008038300000000, 0.0016336000000000 ] - [ -0.0008392800000000, -0.0003695500000000, 0.0005544800000000 ] - [ -0.0004300000000000, 0.0002297500000000, -0.0004846300000000 ] - [ -0.0015603600000000, -0.0001638300000000, -0.0000197800000000 ] - [ -0.0018131800000000, -0.0003972100000000, 0.0002226700000000 ] - [ -0.0005060800000000, -0.0001857900000000, -0.0004177300000000 ] - [ -0.0012181900000000, -0.0001251300000000, -0.0001720900000000 ] - [ -0.0007592200000000, 0.0005499100000000, -0.0003612000000000 ] - [ -0.0010902400000000, 0.0003338000000000, 0.0001203100000000 ] - [ -0.0007227800000000, -0.0024102500000000, -0.0005601400000000 ] - [ 0.0003241800000000, 0.0000814000000000, 0.0014563400000000 ] - [ 0.0000383700000000, -0.0000711100000000, -0.0001801000000000 ] - [ 0.0013077000000000, -0.0006576400000000, 0.0010829600000000 ] - [ 0.0019337200000000, 0.0001991000000000, 0.0011078900000000 ] - [ 0.0032766100000000, -0.0014177500000000, 0.0003196200000000 ] - [ 0.0011177600000000, -0.0002286900000000, -0.0014374000000000 ] - [ -0.0092492800000000, -0.0132831700000000, -0.0014309000000000 ] - [ -0.0006085400000000, 0.0004513400000000, -0.0014800700000000 ] - [ -0.0000908800000000, 0.0001043900000000, 0.0004333200000000 ] - [ -0.0022845800000000, 0.0003021200000000, -0.0002138700000000 ] - [ -0.0025569600000000, 0.0004393300000000, -0.0006679900000000 ] - [ -0.0026230600000000, 0.0003857900000000, -0.0001542100000000 ] - [ -0.0013981500000000, -0.0004348900000000, -0.0002455300000000 ] - [ -0.0232189900000000, -0.0073757000000000, 0.0190296500000000 ] - [ 0.0013943000000000, -0.0017172600000000, -0.0010296400000000 ] - [ 0.0030223100000000, -0.0069571100000000, 0.0023366600000000 ] - [ 0.4438628700000000, -0.0493840600000000, 0.0451157500000000 ] - [ 0.0036463100000000, -0.0028965700000000, 0.0008125400000000 ] - [ 0.0017233500000000, 0.0009552400000000, -0.0007013100000000 ] - [ 0.0016640900000000, -0.0000772100000000, -0.0005212700000000 ] - [ -0.0006680600000000, 0.0008647800000000, 0.0018558100000000 ] - [ -0.0021310800000000, 0.0012632800000000, -0.0014380700000000 ] - [ -0.0039237400000000, -0.0013239500000000, 0.0017820800000000 ] - [ -0.0038398000000000, -0.0016272000000000, -0.0055330500000000 ] - [ -0.0023992000000000, -0.0005242500000000, 0.0007288700000000 ] - [ -0.0017460300000000, 0.0002192100000000, -0.0000267800000000 ] - [ -0.0102065500000000, 0.0003608400000000, -0.0031662600000000 ] - [ -0.0008291000000000, 0.0007335300000000, 0.0000808700000000 ] - [ -0.0024353600000000, 0.0025485200000000, -0.0022419000000000 ] - [ 0.0018824900000000, 0.0058361100000000, 0.0066254300000000 ] - [ 0.0003052700000000, 0.0005472500000000, -0.0000440100000000 ] - [ 0.0007015800000000, -0.0002632900000000, -0.0005069600000000 ] - [ 0.0007860500000000, -0.0003966000000000, 0.0002643400000000 ] - [ 0.0001492300000000, -0.0003271800000000, 0.0008257300000000 ] - [ 0.0028766000000000, 0.0001614000000000, 0.0009162400000000 ] - [ 0.0013708200000000, -0.0005248500000000, 0.0001092900000000 ] - [ -0.0003970100000000, -0.0005909000000000, -0.0002701400000000 ] - [ -0.0005470600000000, -0.0008557600000000, 0.0005757000000000 ] - [ 0.0003281900000000, 0.0003712900000000, -0.0000202100000000 ] - [ -0.0000604300000000, -0.0002497900000000, -0.0005512300000000 ] - [ -0.0005181600000000, 0.0000209200000000, -0.0004719300000000 ] - [ -0.0002312100000000, -0.0004675400000000, 0.0000880200000000 ] - [ -0.0013497400000000, -0.0026959800000000, 0.0005835700000000 ] - [ -0.0023042800000000, 0.0028963900000000, -0.0007786400000000 ] - [ 0.0000012500000000, -0.0000985200000000, 0.0005139300000000 ] - [ -0.0003105700000000, 0.0002294500000000, -0.0002918100000000 ] - [ -0.0008919900000000, -0.0003597400000000, -0.0005994900000000 ] - [ 0.0001867700000000, -0.0002451100000000, -0.0002348200000000 ] - [ -0.0017509300000000, -0.0004503600000000, 0.0014831300000000 ] - [ -0.0011454200000000, -0.0001227800000000, -0.0000350400000000 ] - [ -0.0016196200000000, 0.0007279600000000, -0.0007584700000000 ] - [ -0.0020284200000000, -0.0001345500000000, -0.0003277500000000 ] - [ -0.0004643000000000, -0.0004108400000000, 0.0003359000000000 ] - [ 0.0000576500000000, 0.0012956500000000, 0.0001709900000000 ] - [ 0.0001170300000000, -0.0005589200000000, 0.0005034700000000 ] - [ -0.0000811200000000, -0.0002513700000000, 0.0015324200000000 ] - [ -0.0002342300000000, 0.0072344900000000, -0.0066121200000000 ] - [ -0.0000405900000000, -0.0029903000000000, 0.0028671400000000 ] - [ -0.0024522900000000, -0.0006654300000000, -0.0017597600000000 ] - [ -0.0008375700000000, -0.0024849500000000, -0.0016703300000000 ] - [ -0.0004329400000000, 0.0007723500000000, -0.0006655800000000 ] - [ -0.1964515600000000, 0.0285632800000000, 0.0562070700000000 ] - [ -0.0008159600000000, -0.0000551800000000, -0.0000728700000000 ] - [ -0.0026091100000000, 0.0003316000000000, -0.0018079200000000 ] - [ -0.0023280800000000, 0.0004898400000000, -0.0007022000000000 ] - [ -0.0038340300000000, 0.0015167200000000, 0.0006581600000000 ] - [ -0.0015782100000000, 0.0015210300000000, 0.0003509400000000 ] - [ -0.0011823300000000, -0.0003400300000000, 0.0000104200000000 ] - [ -0.0406207600000000, -0.0066434100000000, -0.0271114700000000 ] - [ -0.0015539400000000, -0.0001997000000000, -0.0000260000000000 ] - [ -0.0004347900000000, -0.0000233500000000, -0.0001642600000000 ] - [ -0.0004203400000000, -0.0003347400000000, 0.0002361200000000 ] - [ -0.0003812200000000, 0.0014889500000000, -0.0001428500000000 ] - [ -0.0042547900000000, 0.0010993200000000, 0.0016264600000000 ] - [ -0.0557168700000000, -0.0533902400000000, 0.0073107700000000 ] - [ -0.1247764500000000, 0.0818648800000000, -0.0816587500000000 ] - [ -0.0012652700000000, 0.0044213100000000, 0.0011930300000000 ] - [ -0.0007948800000000, -0.0005834600000000, 0.0007412100000000 ] - [ -0.0006857300000000, 0.0004669200000000, -0.0004932700000000 ] - [ -0.0016434700000000, -0.0005660400000000, 0.0015564900000000 ] - [ -0.0007581000000000, 0.0002018000000000, -0.0012504400000000 ] - [ -0.0011609100000000, -0.0004210700000000, 0.0004692200000000 ] - [ -0.0004658900000000, 0.0007163400000000, -0.0000782400000000 ] - [ 0.0003477100000000, -0.0009877700000000, 0.0009349100000000 ] - [ -0.0008003700000000, 0.0003408800000000, -0.0007763300000000 ] - [ 0.0005357800000000, -0.0006143900000000, 0.0013101400000000 ] - [ 0.0010783400000000, 0.0006356600000000, -0.0014503200000000 ] - [ 0.0020795300000000, 0.0012648000000000, -0.0017097000000000 ] - [ 0.0004048200000000, 0.0003943500000000, 0.0011773700000000 ] - [ -0.0002595400000000, 0.0004656300000000, -0.0002686700000000 ] - [ 0.0043534500000000, 0.0018624400000000, 0.0046496300000000 ] - [ -0.0001158200000000, 0.0008069200000000, 0.0000421100000000 ] - [ 0.0061832300000000, -0.0007556500000000, -0.0017340200000000 ] - [ 0.0009160000000000, -0.0010229200000000, -0.0012749100000000 ] - [ 0.0017898300000000, 0.0004875800000000, 0.0015378600000000 ] - [ 0.0003041800000000, -0.0004053600000000, -0.0004492000000000 ] - [ 0.0018756400000000, -0.0004299700000000, 0.0005630200000000 ] - [ 0.0009843000000000, -0.0005320900000000, 0.0006862500000000 ] - [ 0.0014802400000000, 0.0009990300000000, -0.0006731500000000 ] - [ 0.0015237500000000, 0.0002567100000000, 0.0010522500000000 ] - [ 0.0028939900000000, 0.0009709800000000, -0.0001879100000000 ] - [ 0.0006462800000000, 0.0006805000000000, 0.0003238200000000 ] - [ 0.0010433800000000, -0.0000308000000000, 0.0000900000000000 ] - [ 0.0027915400000000, 0.0006553900000000, 0.0004346200000000 ] - [ 0.0007729400000000, -0.0002284000000000, 0.0002545600000000 ] - [ 0.0036989700000000, -0.0006268000000000, 0.0000878100000000 ] - [ 0.0013290400000000, -0.0004862300000000, -0.0003536500000000 ] - [ 0.0044448600000000, 0.0010014200000000, 0.0017457000000000 ] - [ 0.0010822400000000, 0.0001717800000000, 0.0003900300000000 ] - [ 0.0014907100000000, -0.0003881300000000, -0.0001308500000000 ] - [ 0.0012766900000000, 0.0000221200000000, -0.0006151400000000 ] - [ 0.0016142500000000, 0.0006898900000000, -0.0014817100000000 ] - [ 0.0002650100000000, -0.0000184400000000, -0.0003223200000000 ] - [ 0.0008030800000000, 0.0000838500000000, -0.0003808800000000 ] - [ 0.0012089200000000, 0.0001602000000000, -0.0001343900000000 ] - [ 0.0004151500000000, 0.0003720200000000, -0.0000244700000000 ] - [ 0.0008284700000000, -0.0003198100000000, 0.0001743300000000 ] - [ 0.0041461700000000, 0.0002012600000000, 0.0015889100000000 ] - [ 0.0017930600000000, -0.0001403200000000, 0.0001792700000000 ] - [ 0.0092999100000000, 0.0016846100000000, 0.0014608500000000 ] - [ 0.0030090100000000, -0.0020483100000000, 0.0012024200000000 ] - [ 0.0013274300000000, -0.0023953300000000, -0.0010040300000000 ] - [ 0.0000684200000000, -0.0001391000000000, 0.0004935800000000 ] - [ 0.0031444800000000, -0.0055650700000000, -0.0053442800000000 ] - [ 0.0000249300000000, 0.0019952100000000, 0.0016534700000000 ] - [ 0.0005237000000000, 0.0001701700000000, 0.0002403600000000 ] - [ 0.0001016800000000, 0.0018821500000000, -0.0000461700000000 ] - [ -0.0000498900000000, -0.0018782100000000, -0.0002077600000000 ] - [ 0.0004648200000000, 0.0017586300000000, -0.0025322800000000 ] - [ -0.0006732100000000, -0.0010804600000000, -0.0001554300000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000585600000000, -0.0001757400000000, -0.0002464000000000 ] - [ -0.0003192800000000, -0.0001737700000000, 0.0002272700000000 ] - [ 0.0002111600000000, 0.0074840800000000, -0.0007730300000000 ] - [ -0.0000963800000000, 0.0001895100000000, -0.0003813400000000 ] - [ -0.0008507100000000, -0.0001187800000000, 0.0004838900000000 ] - [ -0.0010955300000000, 0.0009432500000000, 0.0000613300000000 ] - [ -0.0043501300000000, 0.0001339400000000, 0.0040393400000000 ] - [ -0.0040239100000000, -0.0014066500000000, -0.0035695600000000 ] - [ -0.0019636100000000, 0.0050589200000000, 0.0014291900000000 ] - [ -0.0003177000000000, 0.0003301500000000, 0.0007151700000000 ] - [ 0.0005855100000000, -0.0006967200000000, -0.0005065800000000 ] - [ 0.0000585100000000, 0.0008246500000000, 0.0024128400000000 ] - [ 0.0003672500000000, 0.0004108500000000, -0.0001946100000000 ] - [ 0.0090755100000000, 0.0012681700000000, -0.0036916700000000 ] - [ 0.0002435800000000, 0.0002582100000000, -0.0005386400000000 ] - [ 0.0023616700000000, -0.0003576000000000, -0.0002936600000000 ] - [ 0.0008891300000000, -0.0006314600000000, -0.0003050400000000 ] - [ 0.0013252000000000, -0.0001460500000000, -0.0002098600000000 ] - [ 0.0006413800000000, 0.0000192800000000, -0.0003997900000000 ] - [ 0.0016651200000000, 0.0005704400000000, 0.0000193300000000 ] - [ 0.0001902500000000, 0.0004244100000000, 0.0001178600000000 ] - [ 0.0012389200000000, -0.0016103500000000, -0.0005156500000000 ] - [ 0.0003503600000000, 0.0000197600000000, 0.0003798200000000 ] - [ 0.0061258200000000, -0.0017452300000000, -0.0059521700000000 ] - [ 0.0208086200000000, -0.0085389500000000, 0.0149513200000000 ] - [ -0.0011392700000000, 0.0000467700000000, 0.0008552100000000 ] - [ -0.0017834200000000, 0.0009373300000000, -0.0013439400000000 ] - [ -0.0121261800000000, -0.0035687700000000, -0.0062703800000000 ] - [ 0.0072214400000000, -0.0182498000000000, -0.0070062900000000 ] - [ -0.0003043000000000, 0.0001819800000000, 0.0012458200000000 ] - [ 0.0005664800000000, 0.0001923100000000, -0.0023975200000000 ] - [ 0.0030972900000000, 0.0005826600000000, 0.0003489000000000 ] - [ 0.0027352100000000, 0.0000183500000000, -0.0003613200000000 ] - [ 0.0020559100000000, 0.0012390200000000, 0.0001860300000000 ] - [ 0.0008248200000000, -0.0004643400000000, -0.0004256600000000 ] - [ -0.0003995000000000, -0.0004839500000000, 0.0005319100000000 ] - [ 0.0013987200000000, -0.0031841500000000, 0.0037337200000000 ] - [ 0.0022835200000000, -0.0022968800000000, -0.0010677400000000 ] - [ -0.0043437100000000, -0.0024642700000000, 0.0002518300000000 ] - [ -0.4524421400000000, -0.0344701300000000, 0.0375901300000000 ] - [ -0.0019246700000000, 0.0003489100000000, 0.0003631300000000 ] - [ -0.0010258900000000, 0.0001051300000000, -0.0010699500000000 ] - [ 0.0021108600000000, 0.0025548900000000, -0.0026314600000000 ] - [ 0.0020268600000000, 0.0018128400000000, 0.0010108400000000 ] - [ 0.0036824800000000, -0.0034745700000000, -0.0051922400000000 ] - [ 0.0050017000000000, -0.0028870600000000, 0.0032900300000000 ] - [ 0.0010430200000000, -0.0006787300000000, 0.0004854000000000 ] - [ 0.0020774500000000, 0.0003634400000000, -0.0001126500000000 ] - [ 0.0023396200000000, -0.0001174200000000, -0.0003496000000000 ] - [ 0.0108981600000000, 0.0014115200000000, -0.0021713600000000 ] - [ 0.0025797600000000, 0.0047647600000000, 0.0040141400000000 ] - [ 0.0028849800000000, 0.0027294600000000, -0.0028969900000000 ] - [ 0.0001296100000000, 0.0004951800000000, 0.0000255700000000 ] - [ -0.0002458600000000, -0.0004281400000000, -0.0000810400000000 ] - [ 0.0017952000000000, -0.0101437600000000, 0.0028142000000000 ] - [ -0.0021831400000000, -0.0009350600000000, 0.0018924800000000 ] - [ -0.0005079000000000, 0.0003293800000000, 0.0003929000000000 ] - [ -0.0132817300000000, 0.0039422200000000, 0.0155357000000000 ] - [ -0.0005093800000000, -0.0004303100000000, 0.0003856300000000 ] - [ -0.0039221700000000, -0.0016950700000000, -0.0040375200000000 ] - [ -0.0002319500000000, -0.0000222000000000, 0.0009348100000000 ] - [ -0.0003655400000000, 0.0002811700000000, -0.0006097500000000 ] - [ 0.0126521800000000, 0.0002637100000000, 0.0081160900000000 ] - [ 0.0004150200000000, 0.0052371300000000, 0.0040000700000000 ] - [ 0.0002417100000000, -0.0009822200000000, -0.0001076700000000 ] - [ 0.0007015600000000, 0.0003396200000000, 0.0003889100000000 ] - [ 0.0005308800000000, 0.0004338900000000, 0.0004990900000000 ] - [ 0.0002637300000000, -0.0001516100000000, -0.0012854400000000 ] - [ 0.0013349900000000, 0.0000612900000000, 0.0000429600000000 ] - [ 0.0009972900000000, -0.0001575600000000, 0.0000073300000000 ] - [ -0.0001562200000000, 0.0001515700000000, -0.0002412500000000 ] - [ -0.0000475600000000, -0.0000134500000000, -0.0000705300000000 ] - [ 0.0003040300000000, 0.0001597800000000, -0.0010665800000000 ] - [ 0.0001449200000000, 0.0005564400000000, 0.0009043300000000 ] - [ 0.0004579600000000, -0.0007983300000000, 0.0000137300000000 ] - [ 0.0001449400000000, 0.0009711200000000, -0.0001676600000000 ] - [ 0.0007841500000000, -0.0005632000000000, -0.0002417100000000 ] - [ 0.0002064400000000, -0.0003504100000000, -0.0011968900000000 ] - [ 0.0002252400000000, 0.0006446500000000, -0.0001323300000000 ] - [ -0.0009880100000000, -0.0021931600000000, -0.0019496000000000 ] - [ 0.0004196500000000, -0.0015830600000000, 0.0012896000000000 ] - [ -0.0005133800000000, -0.0034131900000000, 0.0034086300000000 ] - [ 0.0006939000000000, 0.0056643800000000, -0.0045771600000000 ] - [ 0.0025906600000000, -0.0004543200000000, -0.0011905000000000 ] - [ 0.0017887200000000, 0.0014354000000000, -0.0013102600000000 ] - [ 0.0028128400000000, 0.0035831500000000, -0.0047200700000000 ] - [ 0.1357652800000000, 0.0593504900000000, 0.0629775300000000 ] - [ -0.0014035100000000, 0.0033557600000000, 0.0027808600000000 ] - [ 0.0757428900000000, -0.0363321500000000, -0.0586453100000000 ] - [ 0.0006673100000000, 0.0001397500000000, -0.0000542500000000 ] - [ 0.0015944600000000, 0.0014182400000000, 0.0011721000000000 ] - [ 0.0007637300000000, -0.0007548400000000, -0.0001213500000000 ] - [ 0.0011207700000000, -0.0002194100000000, -0.0001732900000000 ] - [ 0.0014442700000000, 0.0001869100000000, -0.0001413800000000 ] - [ 0.0129016400000000, 0.0003615700000000, -0.0064430800000000 ] - [ 0.0006581000000000, 0.0006176400000000, -0.0001062300000000 ] - [ 0.0036636100000000, 0.0044514300000000, 0.0021393900000000 ] - [ 0.0009604500000000, 0.0006048600000000, -0.0003177900000000 ] - [ 0.0806172500000000, -0.0699375800000000, 0.0417034800000000 ] - [ 0.0024132700000000, -0.0025151700000000, 0.0023281200000000 ] - [ 0.1343835300000000, 0.0954673700000000, -0.0957370000000000 ] - [ 0.0007539600000000, -0.0007085100000000, 0.0003822200000000 ] - [ 0.0008668400000000, -0.0028716800000000, 0.0024263300000000 ] - [ 0.0006873500000000, 0.0002476500000000, -0.0008925700000000 ] - [ 0.0003482800000000, 0.0006633900000000, -0.0004878300000000 ] - [ 0.0032418000000000, -0.0015136600000000, -0.0033203100000000 ] - [ 0.0013419700000000, 0.0000344900000000, 0.0004120600000000 ] - [ -0.0001987900000000, -0.0006122400000000, -0.0010820900000000 ] - [ 0.0002493200000000, 0.0010482000000000, 0.0016770000000000 ] - [ -0.0024735900000000, 0.0039672400000000, 0.0074253300000000 ] - [ -0.0013855500000000, 0.0012391000000000, -0.0021263300000000 ] - [ -0.0017440300000000, -0.0001896500000000, 0.0024449300000000 ] - [ -0.0033475900000000, 0.0020954700000000, -0.0018166600000000 ] - [ -0.0076797100000000, -0.0037086300000000, -0.0062346500000000 ] - [ 0.0001961300000000, 0.0008789600000000, 0.0000992700000000 ] - [ -0.0021490900000000, -0.0020420700000000, 0.0003078400000000 ] - [ -0.0003968800000000, 0.0020696400000000, -0.0011319700000000 ] - [ -0.0012327700000000, -0.0010783000000000, 0.0012013000000000 ] - [ -0.0009784800000000, 0.0004094600000000, -0.0003182700000000 ] - [ -0.0005756000000000, -0.0007562800000000, -0.0004933500000000 ] - [ -0.0011811600000000, -0.0001929400000000, 0.0022816900000000 ] - [ -0.0006103200000000, 0.0002878800000000, 0.0001573500000000 ] - [ -0.0025325800000000, 0.0018014300000000, 0.0009493800000000 ] - [ -0.0005011700000000, 0.0006518200000000, 0.0008527600000000 ] - [ -0.0011542200000000, 0.0000496600000000, 0.0008290600000000 ] - [ -0.0033806500000000, -0.0005573600000000, -0.0008228300000000 ] - [ -0.0012423200000000, -0.0006895100000000, -0.0002185000000000 ] - [ -0.0013268400000000, 0.0004098100000000, 0.0003787400000000 ] - [ -0.0004492900000000, -0.0005765600000000, -0.0001345000000000 ] - [ -0.0016579600000000, -0.0001558100000000, -0.0001132400000000 ] - [ -0.0040830700000000, -0.0008960800000000, -0.0000794400000000 ] - [ -0.0030225900000000, 0.0016182100000000, 0.0003447000000000 ] - [ -0.0006458400000000, 0.0000159000000000, -0.0008381100000000 ] - [ -0.0014412900000000, 0.0001868100000000, -0.0006300200000000 ] - [ -0.0013851400000000, 0.0008272400000000, -0.0002160400000000 ] - [ -0.0008051400000000, -0.0002562300000000, 0.0002378000000000 ] - [ -0.0008734800000000, -0.0004269400000000, 0.0002017700000000 ] - [ -0.0028131900000000, -0.0001448800000000, 0.0011197900000000 ] - [ -0.0009721500000000, -0.0000253900000000, -0.0002029100000000 ] - [ -0.0010913200000000, -0.0002264200000000, 0.0002674100000000 ] - [ -0.0020252400000000, -0.0013462500000000, -0.0007075400000000 ] - [ -0.0011628800000000, 0.0003805500000000, 0.0001088100000000 ] - [ -0.0016057500000000, -0.0017346900000000, 0.0006499300000000 ] - [ -0.0017595100000000, -0.0005598700000000, 0.0008804100000000 ] - [ -0.0097910600000000, 0.0009487900000000, 0.0023967400000000 ] - [ -0.0013065200000000, -0.0013105300000000, 0.0005212700000000 ] - [ -0.0008590400000000, 0.0011261200000000, -0.0004633400000000 ] - [ -0.0006013200000000, 0.0000624600000000, -0.0010918900000000 ] - [ -0.0006643100000000, 0.0012984600000000, 0.0010073500000000 ] - [ -0.0032865200000000, -0.0035505500000000, -0.0042813200000000 ] - [ -0.0005090700000000, 0.0006708000000000, 0.0003544500000000 ] - [ -0.0012770000000000, -0.0005720300000000, 0.0008907600000000 ]- atom: 40 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004129800000000, -0.0006526500000000, 0.0000929000000000 ] - [ -0.0002770700000000, 0.0002638900000000, -0.0012257000000000 ] - [ -0.0003529300000000, -0.0079834100000000, 0.0015884100000000 ] - [ 0.0010947400000000, 0.0004063200000000, 0.0004692200000000 ] - [ 0.0009371100000000, 0.0011186400000000, 0.0001137600000000 ] - [ 0.0019177100000000, -0.0007879100000000, 0.0004151400000000 ] - [ 0.0035137600000000, -0.0002764900000000, -0.0035852100000000 ] - [ 0.0039201000000000, 0.0004025600000000, 0.0041735200000000 ] - [ 0.0009376400000000, -0.0056466900000000, -0.0013415300000000 ] - [ 0.0004638700000000, 0.0001409000000000, 0.0001146200000000 ] - [ 0.0000050600000000, 0.0006060500000000, -0.0004952500000000 ] - [ -0.0005361800000000, 0.0000011300000000, -0.0025438700000000 ] - [ 0.0000967400000000, 0.0004162300000000, 0.0003483300000000 ] - [ -0.0095723500000000, -0.0013470900000000, 0.0046283100000000 ] - [ -0.0003995500000000, 0.0002114700000000, -0.0002897100000000 ] - [ -0.0013625400000000, -0.0002481200000000, 0.0002043900000000 ] - [ -0.0007995300000000, -0.0003705800000000, -0.0002929200000000 ] - [ -0.0004968500000000, -0.0000042200000000, -0.0002621900000000 ] - [ -0.0014690400000000, 0.0001385200000000, -0.0000666600000000 ] - [ -0.0017558600000000, 0.0004272700000000, -0.0006245200000000 ] - [ -0.0011919200000000, 0.0001720400000000, -0.0002041000000000 ] - [ -0.0010833700000000, 0.0011524100000000, -0.0003142500000000 ] - [ 0.0002464000000000, 0.0000695300000000, 0.0006227800000000 ] - [ -0.0066489700000000, 0.0009329800000000, 0.0061891300000000 ] - [ -0.0204701800000000, 0.0074156300000000, -0.0144825400000000 ] - [ 0.0017790900000000, -0.0004670300000000, 0.0002558800000000 ] - [ 0.0028865400000000, -0.0002984100000000, 0.0009256400000000 ] - [ 0.0109630100000000, 0.0028914500000000, 0.0058067900000000 ] - [ -0.0079215800000000, 0.0186029100000000, 0.0081553400000000 ] - [ -0.0001244200000000, 0.0009266100000000, -0.0006050000000000 ] - [ -0.0001514300000000, 0.0009132000000000, 0.0017535500000000 ] - [ -0.0024637400000000, -0.0001444700000000, -0.0014569700000000 ] - [ -0.0016265800000000, -0.0006572400000000, 0.0007819600000000 ] - [ -0.0031645000000000, -0.0006130300000000, 0.0002499000000000 ] - [ -0.0014612000000000, 0.0000423500000000, -0.0006786500000000 ] - [ -0.0000160300000000, -0.0006248800000000, -0.0011726000000000 ] - [ -0.0020720100000000, 0.0038650800000000, -0.0030676300000000 ] - [ -0.0017058300000000, 0.0028370000000000, 0.0016138400000000 ] - [ 0.0034391200000000, 0.0033826700000000, -0.0011657900000000 ] - [ 0.4541863000000000, 0.0354893900000000, -0.0322842400000000 ] - [ 0.0024209300000000, 0.0001501800000000, 0.0001419400000000 ] - [ 0.0019265200000000, -0.0010095400000000, 0.0001552600000000 ] - [ -0.0026946400000000, -0.0030884200000000, 0.0031560600000000 ] - [ -0.0013542400000000, -0.0024604400000000, -0.0003305400000000 ] - [ -0.0043394700000000, 0.0027908500000000, 0.0044905400000000 ] - [ -0.0044768000000000, 0.0023308400000000, -0.0038404100000000 ] - [ -0.0019523600000000, -0.0002306100000000, 0.0004256400000000 ] - [ -0.0025760200000000, 0.0001414300000000, -0.0003794500000000 ] - [ -0.0018365000000000, -0.0003826300000000, -0.0001499100000000 ] - [ -0.0100210100000000, -0.0005004500000000, 0.0031073400000000 ] - [ -0.0031075100000000, -0.0042185300000000, -0.0045439500000000 ] - [ -0.0022284600000000, -0.0020779500000000, 0.0022391500000000 ] - [ 0.0000612400000000, 0.0009581800000000, 0.0000193400000000 ] - [ 0.0005326900000000, -0.0004852700000000, -0.0003836700000000 ] - [ -0.0012800000000000, 0.0098649600000000, -0.0037103300000000 ] - [ 0.0021598900000000, 0.0007390700000000, -0.0004350000000000 ] - [ 0.0019638400000000, -0.0002864600000000, -0.0002012500000000 ] - [ 0.0141730200000000, -0.0034686900000000, -0.0152096300000000 ] - [ -0.0004089300000000, -0.0000350600000000, -0.0000978200000000 ] - [ 0.0024443400000000, 0.0016561100000000, 0.0042320100000000 ] - [ 0.0002720600000000, 0.0002135800000000, 0.0005215900000000 ] - [ -0.0001037700000000, 0.0000082500000000, -0.0003024000000000 ] - [ -0.0128819700000000, 0.0005727000000000, -0.0084626100000000 ] - [ -0.0006189800000000, -0.0066157300000000, -0.0039095200000000 ] - [ -0.0000524300000000, -0.0004742200000000, 0.0000644300000000 ] - [ -0.0004158900000000, 0.0005751200000000, 0.0000767600000000 ] - [ -0.0000683400000000, -0.0001465000000000, 0.0004158600000000 ] - [ -0.0003099800000000, 0.0003434900000000, -0.0001694300000000 ] - [ 0.0001183700000000, -0.0001044300000000, -0.0002345400000000 ] - [ -0.0000868700000000, -0.0003088200000000, -0.0002965500000000 ] - [ -0.0007585500000000, 0.0003151600000000, -0.0000478400000000 ] - [ -0.0014046000000000, 0.0000587100000000, -0.0001239200000000 ] - [ -0.0002620200000000, -0.0003539500000000, -0.0003867100000000 ] - [ -0.0006118200000000, -0.0008464800000000, 0.0000066700000000 ] - [ -0.0007485300000000, -0.0001152100000000, 0.0004535600000000 ] - [ -0.0003392500000000, 0.0004838400000000, 0.0001264300000000 ] - [ 0.0004830900000000, -0.0006766100000000, 0.0000638900000000 ] - [ -0.0004244100000000, 0.0009386800000000, 0.0022819600000000 ] - [ 0.0003534700000000, -0.0017307000000000, 0.0003449000000000 ] - [ 0.0006872500000000, 0.0024743400000000, 0.0016528900000000 ] - [ -0.0011937300000000, 0.0008092600000000, -0.0010739400000000 ] - [ 0.0005747600000000, 0.0035047300000000, -0.0034973300000000 ] - [ 0.0000763800000000, -0.0059041400000000, 0.0038178100000000 ] - [ -0.0020398000000000, -0.0000565900000000, 0.0001562500000000 ] - [ -0.0015633700000000, -0.0022004700000000, 0.0005299500000000 ] - [ -0.0026807600000000, -0.0048306500000000, 0.0034687900000000 ] - [ -0.1400266800000000, -0.0628703600000000, -0.0679223300000000 ] - [ 0.0002976200000000, -0.0031134500000000, -0.0021767600000000 ] - [ -0.0759031600000000, 0.0382080700000000, 0.0599149700000000 ] - [ -0.0010403700000000, -0.0005112300000000, -0.0003176800000000 ] - [ -0.0010897200000000, -0.0003894500000000, -0.0006189700000000 ] - [ -0.0015080400000000, 0.0003785600000000, 0.0000812700000000 ] - [ -0.0008116900000000, -0.0000928900000000, -0.0001393200000000 ] - [ -0.0004082400000000, 0.0003713200000000, 0.0006521800000000 ] - [ -0.0116303300000000, -0.0001943900000000, 0.0076761200000000 ] - [ -0.0019010200000000, -0.0007973300000000, 0.0013822800000000 ] - [ -0.0047035900000000, -0.0050331200000000, -0.0016400200000000 ] - [ -0.0012720800000000, -0.0002986700000000, 0.0000106300000000 ] - [ -0.0788603900000000, 0.0675723000000000, -0.0401960000000000 ] - [ -0.0029067300000000, 0.0014758300000000, -0.0017530800000000 ] - [ -0.1320492400000000, -0.0913582800000000, 0.0915945700000000 ] - [ -0.0007939200000000, -0.0000350400000000, -0.0007570300000000 ] - [ 0.0002346200000000, 0.0026706400000000, -0.0018513000000000 ] - [ -0.0010610800000000, -0.0002868400000000, 0.0001495100000000 ] - [ -0.0005235300000000, 0.0006081300000000, -0.0007534200000000 ] - [ -0.0034476900000000, 0.0022515100000000, 0.0025204100000000 ] - [ -0.0018926800000000, 0.0004735300000000, -0.0014416400000000 ] - [ -0.0005786000000000, 0.0008293500000000, 0.0003100700000000 ] - [ -0.0003101200000000, -0.0011057300000000, -0.0017323800000000 ] - [ 0.0032304900000000, -0.0031483000000000, -0.0071592800000000 ] - [ 0.0016834600000000, -0.0015188200000000, 0.0018404700000000 ] - [ 0.0011689800000000, 0.0012686600000000, -0.0022239500000000 ] - [ 0.0035883300000000, -0.0026845300000000, 0.0029097900000000 ] - [ 0.0063930800000000, 0.0049481200000000, 0.0059739300000000 ] - [ 0.0010745800000000, 0.0003595200000000, 0.0000758400000000 ] - [ 0.0019391200000000, 0.0014366600000000, -0.0013752700000000 ] - [ 0.0009833600000000, -0.0009794500000000, 0.0009190200000000 ] - [ 0.0009472900000000, 0.0007857300000000, -0.0009074200000000 ] - [ 0.0002142500000000, 0.0003666000000000, 0.0000887800000000 ] - [ 0.0006373700000000, 0.0006861800000000, 0.0005505600000000 ] - [ 0.0019595100000000, 0.0004225800000000, -0.0015113000000000 ] - [ 0.0011702800000000, 0.0002194700000000, 0.0008800700000000 ] - [ 0.0027517500000000, -0.0010299500000000, -0.0001644800000000 ] - [ 0.0006753100000000, 0.0006195400000000, 0.0003865700000000 ] - [ 0.0015255200000000, -0.0000891100000000, -0.0000851700000000 ] - [ 0.0022994200000000, 0.0003520300000000, 0.0002340300000000 ] - [ 0.0012748300000000, -0.0000539300000000, 0.0005851500000000 ] - [ 0.0009510100000000, -0.0000360600000000, -0.0000051800000000 ] - [ 0.0009541500000000, -0.0004622100000000, -0.0004255500000000 ] - [ 0.0009083000000000, 0.0005208400000000, 0.0001530600000000 ] - [ 0.0043867000000000, 0.0012105000000000, 0.0003938800000000 ] - [ 0.0040609800000000, -0.0021922000000000, -0.0008571800000000 ] - [ 0.0018808900000000, -0.0001947500000000, -0.0004294900000000 ] - [ 0.0001971200000000, -0.0000141000000000, -0.0006410500000000 ] - [ 0.0003430700000000, -0.0002655000000000, -0.0002934000000000 ] - [ 0.0004907800000000, -0.0000554100000000, 0.0000728500000000 ] - [ 0.0016112300000000, 0.0000492400000000, -0.0001663000000000 ] - [ 0.0023053800000000, 0.0011872500000000, -0.0016935400000000 ] - [ 0.0013394700000000, -0.0003469700000000, 0.0005732000000000 ] - [ 0.0010482600000000, 0.0009700200000000, 0.0001100800000000 ] - [ 0.0031012000000000, 0.0015587900000000, 0.0001215200000000 ] - [ 0.0007818400000000, -0.0003450100000000, 0.0006351900000000 ] - [ 0.0014253700000000, 0.0004690400000000, 0.0005940400000000 ] - [ 0.0015300900000000, -0.0002029300000000, -0.0001029700000000 ] - [ 0.0092787900000000, -0.0014643900000000, -0.0013544000000000 ] - [ 0.0005254500000000, 0.0010915500000000, 0.0002457200000000 ] - [ 0.0007868600000000, -0.0010619300000000, 0.0005277400000000 ] - [ 0.0013572200000000, -0.0008437200000000, 0.0008607000000000 ] - [ 0.0009380100000000, -0.0010193900000000, -0.0007263500000000 ] - [ 0.0026726400000000, 0.0024643500000000, 0.0040525500000000 ] - [ 0.0007126900000000, -0.0000858800000000, -0.0014419900000000 ] - [ -0.0000011300000000, -0.0006695100000000, -0.0007189300000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004488300000000, -0.0009415400000000, -0.0021869100000000 ] - [ -0.0004084400000000, -0.0002272800000000, -0.0005975800000000 ] - [ -0.0001836600000000, -0.0002785200000000, 0.0003361700000000 ] - [ 0.0006202000000000, -0.0003197700000000, -0.0011614300000000 ] - [ 0.0000041900000000, 0.0004923800000000, 0.0002134800000000 ] - [ 0.0000987100000000, 0.0001425000000000, 0.0000238600000000 ] - [ -0.0004598200000000, -0.0001101300000000, 0.0002687200000000 ] - [ 0.0002708800000000, -0.0009690500000000, 0.0003810800000000 ] - [ -0.0004234800000000, -0.0003202900000000, 0.0002173600000000 ] - [ 0.0000585700000000, 0.0002045300000000, 0.0004359700000000 ] - [ 0.0003806100000000, -0.0000160200000000, -0.0004766600000000 ] - [ -0.0001893000000000, 0.0003914300000000, -0.0000750500000000 ] - [ 0.0005450800000000, 0.0005312400000000, 0.0000533200000000 ] - [ -0.0002543000000000, -0.0001032400000000, 0.0005236000000000 ] - [ 0.0001912800000000, 0.0003305700000000, -0.0004431800000000 ] - [ 0.0005475100000000, -0.0003431200000000, -0.0000559300000000 ] - [ 0.0001125600000000, -0.0005317300000000, -0.0001935400000000 ] - [ 0.0008474400000000, 0.0002377000000000, -0.0005625200000000 ] - [ -0.0003643400000000, 0.0001242500000000, -0.0001777300000000 ] - [ -0.0000146000000000, 0.0004138800000000, -0.0003286000000000 ] - [ -0.0003807300000000, 0.0001568300000000, -0.0000264600000000 ] - [ -0.0000140900000000, -0.0001457200000000, -0.0003763800000000 ] - [ -0.0000156000000000, -0.0005598600000000, 0.0027086300000000 ] - [ -0.0002691200000000, -0.0004317100000000, 0.0001422500000000 ] - [ -0.0003118600000000, -0.0014452400000000, 0.0005433000000000 ] - [ -0.0002015400000000, -0.0009838100000000, 0.0010797900000000 ] - [ 0.0051690100000000, 0.0007315400000000, 0.0026119200000000 ] - [ -0.0005915500000000, -0.0002460700000000, -0.0001746000000000 ] - [ -0.0001919300000000, 0.0002210900000000, 0.0005602500000000 ] - [ 0.0000797500000000, 0.0005857200000000, 0.0004074100000000 ] - [ 0.0003717400000000, 0.0004334200000000, -0.0004236700000000 ] - [ 0.0004880400000000, 0.0003446000000000, -0.0004901500000000 ] - [ 0.0007485300000000, -0.0005365900000000, 0.0000735500000000 ] - [ -0.0004904200000000, 0.0002424900000000, 0.0002860600000000 ] - [ -0.0002309900000000, 0.0014298100000000, -0.0003864000000000 ] - [ -0.0003570400000000, -0.0005629200000000, -0.0001756000000000 ] - [ -0.0123316900000000, 0.0011231000000000, 0.0031619300000000 ] - [ -0.0003280900000000, 0.0003214800000000, 0.0010079400000000 ] - [ -0.0006627700000000, 0.0009318800000000, 0.0003710000000000 ] - [ -0.0002156400000000, -0.0003900000000000, 0.0004982900000000 ] - [ 0.0007609400000000, 0.0043935200000000, -0.0005969600000000 ] - [ 0.0005878300000000, -0.0009607200000000, -0.0007302500000000 ] - [ 0.0006991600000000, -0.0005515200000000, 0.0002806600000000 ] - [ 0.0004830200000000, -0.0003514600000000, 0.0003336100000000 ] - [ -0.0001470000000000, -0.0004885500000000, -0.0003304700000000 ] - [ 0.0004087100000000, -0.0003376600000000, -0.0002058600000000 ] - [ 0.0009933200000000, -0.0012633500000000, 0.0006833900000000 ] - [ -0.0001032000000000, 0.0002728500000000, -0.0003676400000000 ] - [ 0.0004922200000000, 0.0000498700000000, -0.0005067000000000 ] - [ 0.0002975900000000, 0.0003915700000000, 0.0005889700000000 ] - [ 0.0004690900000000, -0.0010820000000000, -0.0006205100000000 ] - [ 0.0004526000000000, 0.0000809700000000, -0.0000099700000000 ] - [ -0.1063384700000000, 0.1096787600000000, -0.0063641000000000 ] - [ -0.0134091500000000, 0.0266723000000000, -0.0021479100000000 ] - [ 0.0002582400000000, -0.0002263500000000, -0.0003579400000000 ] - [ 0.0000180800000000, 0.0000552100000000, 0.0011743300000000 ] - [ 0.0005455200000000, 0.0001040800000000, 0.0001567600000000 ] - [ 0.0004495800000000, 0.0001415400000000, 0.0000904300000000 ] - [ -0.0004625000000000, -0.0001833900000000, 0.0001033500000000 ] - [ -0.0007029300000000, -0.0000360100000000, 0.0001016300000000 ] - [ 0.0000854000000000, 0.0001564400000000, 0.0005417000000000 ] - [ -0.0000051900000000, 0.0000123500000000, -0.0006002400000000 ] - [ -0.0001203500000000, 0.0004558200000000, -0.0002197300000000 ] - [ -0.0000903500000000, -0.0007250300000000, 0.0000376100000000 ] - [ 0.0001349600000000, -0.0006732000000000, -0.0000468800000000 ] - [ 0.0002171100000000, 0.0004483300000000, 0.0002423200000000 ] - [ 0.0002426800000000, 0.0001288800000000, 0.0004699500000000 ] - [ 0.0000098000000000, 0.0000662700000000, -0.0007706800000000 ] - [ 0.0008218000000000, 0.0000090100000000, -0.0000661800000000 ] - [ 0.0004619500000000, -0.0002260700000000, -0.0002001700000000 ] - [ -0.0004580600000000, 0.0002412700000000, -0.0001351400000000 ] - [ -0.0009656900000000, 0.0000154500000000, 0.0000554100000000 ] - [ 0.0000176000000000, -0.0001013900000000, -0.0007173700000000 ] - [ -0.0002270900000000, -0.0001968700000000, 0.0003853500000000 ] - [ -0.0001596700000000, -0.0004228600000000, 0.0002283100000000 ] - [ -0.0001015100000000, 0.0006718300000000, -0.0000117300000000 ] - [ 0.1107428100000000, -0.1451198200000000, 0.0108033200000000 ] - [ -0.0001899300000000, 0.0008756700000000, 0.0006165600000000 ] - [ 0.0004774300000000, -0.0005506400000000, -0.0000774900000000 ] - [ -0.0002624400000000, 0.0009888600000000, 0.0003600300000000 ] - [ -0.0003118100000000, -0.0001562500000000, -0.0002699000000000 ] - [ 0.0000936700000000, 0.0001481300000000, -0.0001614500000000 ] - [ 0.0017491400000000, 0.0022262900000000, -0.0026007100000000 ] - [ 0.0006875600000000, -0.0003620300000000, -0.0007182200000000 ] - [ 0.0088561500000000, 0.0075426600000000, -0.0051675700000000 ] - [ 0.0001107500000000, -0.0007020400000000, -0.0009864200000000 ] - [ 0.0001226000000000, 0.0002804000000000, -0.0004954800000000 ] - [ -0.0001533600000000, 0.0000266900000000, 0.0002677500000000 ] - [ 0.0000385900000000, 0.0004129200000000, -0.0003092500000000 ] - [ -0.0002100600000000, -0.0013461500000000, 0.0006025000000000 ] - [ 0.0003988400000000, -0.0003449700000000, -0.0007232600000000 ] - [ 0.0036596600000000, -0.0006135700000000, -0.0011570400000000 ] - [ 0.0000151900000000, 0.0002676500000000, 0.0001198000000000 ] - [ 0.0006588400000000, 0.0006304400000000, 0.0002732500000000 ] - [ 0.0006374800000000, 0.0002334500000000, 0.0006705300000000 ] - [ -0.0005031300000000, -0.0002044800000000, 0.0006468500000000 ] - [ -0.0005758200000000, -0.0005828100000000, 0.0001512800000000 ] - [ -0.0001809200000000, 0.0000857800000000, -0.0003543100000000 ] - [ 0.0003181600000000, 0.0002580000000000, -0.0000978600000000 ] - [ -0.0002753000000000, -0.0004382500000000, 0.0003444800000000 ] - [ 0.0001537500000000, 0.0003098100000000, -0.0003139200000000 ] - [ -0.0007109200000000, -0.0013845100000000, 0.0006180500000000 ] - [ -0.0004303800000000, 0.0002162300000000, 0.0000747200000000 ] - [ -0.0001114500000000, -0.0005267100000000, -0.0004362600000000 ] - [ -0.0003663700000000, 0.0007036000000000, -0.0003474300000000 ] - [ -0.0001568600000000, 0.0003670400000000, -0.0004427600000000 ] - [ -0.0003560300000000, 0.0003702400000000, -0.0004664800000000 ] - [ -0.0005199400000000, 0.0000468800000000, -0.0003150200000000 ] - [ -0.0000713200000000, -0.0000479000000000, -0.0000104100000000 ] - [ 0.0002956900000000, 0.0004494800000000, 0.0001623000000000 ] - [ 0.0000957900000000, -0.0001163500000000, -0.0001500100000000 ] - [ -0.0004988500000000, 0.0007812900000000, 0.0001912700000000 ] - [ 0.0000244300000000, -0.0002768000000000, 0.0004765900000000 ] - [ -0.0006660300000000, 0.0006287400000000, -0.0001169500000000 ] - [ 0.0005213900000000, 0.0005627900000000, 0.0000789400000000 ] - [ -0.0004016900000000, -0.0002664300000000, -0.0007787100000000 ] - [ 0.0002254000000000, 0.0005858300000000, -0.0001644400000000 ] - [ -0.0005266500000000, -0.0002134000000000, 0.0002588300000000 ] - [ -0.0004924300000000, 0.0003453500000000, -0.0001367200000000 ] - [ -0.0000661800000000, -0.0000294800000000, 0.0000104000000000 ] - [ 0.0003076600000000, 0.0002071600000000, 0.0004034000000000 ] - [ -0.0003179100000000, 0.0002841400000000, 0.0003709000000000 ] - [ -0.0000760600000000, 0.0004698000000000, 0.0004279900000000 ] - [ 0.0000174900000000, 0.0006966900000000, 0.0006326800000000 ] - [ 0.0000441100000000, -0.0000220300000000, 0.0004729100000000 ] - [ -0.0006255400000000, -0.0000862400000000, -0.0003190200000000 ] - [ -0.0000376900000000, -0.0003635100000000, 0.0001696600000000 ] - [ -0.0002912800000000, 0.0001634600000000, 0.0002488300000000 ] - [ -0.0000627400000000, -0.0003162400000000, -0.0001443200000000 ] - [ -0.0005263900000000, 0.0000220800000000, 0.0000530400000000 ] - [ 0.0001734600000000, 0.0002123700000000, 0.0001488100000000 ] - [ 0.0005088700000000, -0.0003154100000000, -0.0003063000000000 ] - [ 0.0007763300000000, -0.0001129000000000, -0.0006920400000000 ] - [ -0.0007026100000000, 0.0000425500000000, -0.0007057300000000 ] - [ -0.0014989200000000, 0.0001420700000000, -0.0005820500000000 ] - [ -0.0005649000000000, 0.0000939500000000, 0.0001271100000000 ] - [ 0.0003132900000000, -0.0003835500000000, 0.0000473100000000 ] - [ -0.0002388300000000, 0.0005855600000000, -0.0004212100000000 ] - [ 0.0001541900000000, -0.0001101400000000, 0.0002253100000000 ] - [ -0.0002566000000000, 0.0003544400000000, 0.0005144100000000 ] - [ 0.0004252900000000, 0.0002589000000000, -0.0002622600000000 ] - [ -0.0001699400000000, -0.0000368400000000, 0.0004002100000000 ] - [ -0.0000976200000000, -0.0005748300000000, 0.0006821100000000 ] - [ -0.0001732500000000, -0.0002726100000000, 0.0003088200000000 ] - [ 0.0000067800000000, -0.0001943800000000, 0.0003362900000000 ] - [ -0.0003792200000000, -0.0001064800000000, 0.0002673700000000 ] - [ 0.0021319200000000, -0.0021622900000000, 0.0000850200000000 ] - [ 0.0025729200000000, -0.0000473300000000, 0.0007143500000000 ] - [ 0.0001855900000000, 0.0000527500000000, -0.0001096400000000 ] - [ -0.0002774400000000, 0.0001722300000000, 0.0001242800000000 ] - [ 0.0006187300000000, -0.0002745200000000, -0.0013067600000000 ] - [ -0.0005954400000000, -0.0005881500000000, 0.0000982800000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009421700000000, 0.0001160700000000, 0.0020010600000000 ] - [ -0.0001881800000000, 0.0003125600000000, -0.0004046400000000 ] - [ 0.0000301100000000, -0.0001925000000000, 0.0004916500000000 ] - [ 0.0003766100000000, 0.0009184600000000, 0.0012444300000000 ] - [ 0.0000867400000000, 0.0005086100000000, 0.0003850400000000 ] - [ 0.0007249000000000, 0.0000079900000000, 0.0004476500000000 ] - [ -0.0003695000000000, -0.0000428800000000, 0.0002036400000000 ] - [ -0.0003588200000000, -0.0000336900000000, 0.0002167500000000 ] - [ -0.0005760900000000, -0.0002756600000000, -0.0001273300000000 ] - [ 0.0000935100000000, 0.0002661900000000, 0.0003935300000000 ] - [ 0.0002158000000000, -0.0000758200000000, -0.0005246700000000 ] - [ -0.0002793900000000, 0.0004356300000000, -0.0000780300000000 ] - [ -0.0000748800000000, 0.0002984400000000, 0.0001010600000000 ] - [ -0.0003423900000000, 0.0000116300000000, 0.0004765600000000 ] - [ -0.0003450200000000, 0.0001382400000000, -0.0003871200000000 ] - [ 0.0004538700000000, -0.0002538400000000, -0.0000340100000000 ] - [ -0.0000198800000000, -0.0004681700000000, -0.0004048400000000 ] - [ -0.0000266600000000, -0.0003890700000000, 0.0000949900000000 ] - [ -0.0004637000000000, 0.0000283000000000, -0.0002943600000000 ] - [ -0.0000758300000000, 0.0005835500000000, -0.0002707400000000 ] - [ -0.0006126600000000, 0.0004352600000000, -0.0000578800000000 ] - [ 0.0001651800000000, -0.0003235500000000, -0.0004491700000000 ] - [ 0.0006323200000000, 0.0006534400000000, -0.0016788300000000 ] - [ -0.0002014500000000, -0.0003972200000000, 0.0000118500000000 ] - [ 0.0007290600000000, 0.0003236100000000, 0.0000965000000000 ] - [ 0.0008259200000000, 0.0005553200000000, 0.0000319300000000 ] - [ -0.0040215700000000, -0.0000893100000000, -0.0029932900000000 ] - [ -0.0005152500000000, -0.0003907500000000, -0.0002494900000000 ] - [ -0.0004457000000000, 0.0002019200000000, 0.0005453400000000 ] - [ -0.0005046300000000, 0.0005211600000000, 0.0002296600000000 ] - [ 0.0000527000000000, 0.0006715800000000, -0.0002159700000000 ] - [ 0.0001492800000000, 0.0000787000000000, -0.0006150100000000 ] - [ 0.0003692400000000, -0.0000960100000000, 0.0003476700000000 ] - [ -0.0006148200000000, 0.0003930700000000, 0.0001389400000000 ] - [ -0.0004059100000000, -0.0018585800000000, -0.0007368800000000 ] - [ -0.0000640900000000, -0.0005408400000000, -0.0004618000000000 ] - [ 0.0116210600000000, -0.0004240400000000, -0.0024848000000000 ] - [ 0.0008709500000000, 0.0002289700000000, -0.0004588400000000 ] - [ -0.0002507700000000, -0.0000226900000000, -0.0012856000000000 ] - [ -0.0002849900000000, -0.0001140200000000, 0.0000052200000000 ] - [ -0.0002723800000000, -0.0038765900000000, 0.0010785700000000 ] - [ 0.0003218700000000, 0.0000450300000000, -0.0001813600000000 ] - [ -0.0012410200000000, 0.0000048700000000, 0.0002644500000000 ] - [ 0.0001851600000000, -0.0003183500000000, 0.0003343600000000 ] - [ -0.0005197000000000, -0.0001805000000000, -0.0003380600000000 ] - [ 0.0001394600000000, -0.0002069400000000, -0.0003389400000000 ] - [ -0.0019086300000000, 0.0003790400000000, 0.0002203800000000 ] - [ -0.0003972700000000, 0.0002210800000000, -0.0001330400000000 ] - [ 0.0000099300000000, -0.0005443400000000, 0.0000059000000000 ] - [ 0.0006095500000000, 0.0005169400000000, 0.0003249700000000 ] - [ -0.0010090500000000, 0.0015878000000000, 0.0000619600000000 ] - [ 0.0002202300000000, 0.0005846600000000, -0.0006542100000000 ] - [ 0.1057046800000000, -0.1123072900000000, 0.0067876300000000 ] - [ 0.0137637800000000, -0.0278547700000000, 0.0016809500000000 ] - [ 0.0002078100000000, -0.0000639200000000, -0.0005545600000000 ] - [ -0.0000601800000000, -0.0002458700000000, 0.0002845000000000 ] - [ 0.0009047500000000, -0.0000587800000000, 0.0000374800000000 ] - [ 0.0004639100000000, 0.0003228100000000, 0.0001976800000000 ] - [ -0.0004518800000000, -0.0002821100000000, 0.0001849200000000 ] - [ -0.0007510500000000, -0.0000083600000000, 0.0000911400000000 ] - [ -0.0000411300000000, 0.0000368900000000, 0.0009111100000000 ] - [ -0.0004596600000000, 0.0002738300000000, -0.0003155500000000 ] - [ -0.0001691000000000, 0.0004579700000000, -0.0002461000000000 ] - [ -0.0001025000000000, -0.0007287600000000, 0.0000068900000000 ] - [ 0.0000582700000000, -0.0007797700000000, 0.0000023100000000 ] - [ 0.0000714900000000, 0.0004663200000000, 0.0002240400000000 ] - [ 0.0002235300000000, 0.0001597300000000, 0.0004440700000000 ] - [ -0.0000536700000000, 0.0001266500000000, -0.0006829700000000 ] - [ 0.0006331900000000, -0.0000531500000000, -0.0001263800000000 ] - [ 0.0004511900000000, -0.0002408200000000, -0.0000894800000000 ] - [ -0.0004556900000000, 0.0002251200000000, -0.0001536300000000 ] - [ -0.0004935500000000, 0.0000262200000000, -0.0002457600000000 ] - [ 0.0000269700000000, -0.0000907600000000, -0.0007372300000000 ] - [ -0.0002376800000000, -0.0000902400000000, 0.0005284900000000 ] - [ -0.0001277900000000, -0.0004920200000000, 0.0002370500000000 ] - [ -0.0000912800000000, 0.0007811200000000, -0.0000324400000000 ] - [ -0.1089526800000000, 0.1481166800000000, -0.0113102900000000 ] - [ -0.0000196600000000, -0.0002732300000000, 0.0004719400000000 ] - [ 0.0001114900000000, -0.0005431100000000, 0.0002919700000000 ] - [ -0.0000271100000000, -0.0006812400000000, -0.0006431900000000 ] - [ -0.0004548800000000, -0.0006155100000000, 0.0004854000000000 ] - [ -0.0000342700000000, -0.0000869600000000, 0.0001019100000000 ] - [ -0.0009675100000000, -0.0024272300000000, 0.0018153200000000 ] - [ -0.0001219800000000, -0.0001465400000000, -0.0003230600000000 ] - [ -0.0084075100000000, -0.0082411300000000, 0.0043374600000000 ] - [ 0.0000632500000000, -0.0005766700000000, -0.0002582600000000 ] - [ 0.0002532600000000, -0.0002364500000000, -0.0002492000000000 ] - [ -0.0009308900000000, 0.0001791200000000, 0.0003148000000000 ] - [ 0.0000079600000000, 0.0003333300000000, -0.0000638400000000 ] - [ -0.0001451200000000, 0.0009643800000000, -0.0009773100000000 ] - [ 0.0001248600000000, 0.0013681300000000, 0.0012821500000000 ] - [ -0.0044260500000000, 0.0002319000000000, 0.0011259000000000 ] - [ 0.0002990700000000, -0.0005792700000000, -0.0004337400000000 ] - [ 0.0003840100000000, -0.0000656000000000, 0.0002344700000000 ] - [ 0.0006057700000000, -0.0000542600000000, 0.0006087200000000 ] - [ -0.0007338500000000, 0.0000284400000000, 0.0006286400000000 ] - [ -0.0004579300000000, 0.0000228700000000, 0.0003604700000000 ] - [ -0.0001316700000000, 0.0002280900000000, 0.0000411600000000 ] - [ 0.0004267800000000, 0.0001165200000000, 0.0000520200000000 ] - [ -0.0002348900000000, -0.0005939200000000, 0.0002138000000000 ] - [ 0.0002221200000000, 0.0000677500000000, -0.0000626100000000 ] - [ 0.0006560600000000, 0.0006288200000000, -0.0009763400000000 ] - [ 0.0015134100000000, -0.0004174500000000, 0.0005039800000000 ] - [ -0.0002631500000000, 0.0004874400000000, -0.0003036200000000 ] - [ 0.0001904700000000, 0.0005772000000000, -0.0008905400000000 ] - [ -0.0000714700000000, 0.0003989900000000, -0.0003298400000000 ] - [ -0.0002023900000000, 0.0001415800000000, -0.0005679500000000 ] - [ -0.0002590200000000, 0.0001749200000000, -0.0004520900000000 ] - [ 0.0000120400000000, -0.0000124800000000, -0.0000498100000000 ] - [ 0.0004700600000000, 0.0003253200000000, 0.0000663200000000 ] - [ 0.0001959600000000, -0.0001755900000000, -0.0001427400000000 ] - [ -0.0000857700000000, 0.0003092000000000, 0.0000191700000000 ] - [ 0.0001847500000000, -0.0003069300000000, 0.0006130600000000 ] - [ -0.0006128200000000, 0.0006124900000000, -0.0000588700000000 ] - [ 0.0007581900000000, 0.0006771400000000, 0.0000960000000000 ] - [ 0.0001938100000000, -0.0003150000000000, -0.0003092300000000 ] - [ 0.0003636400000000, 0.0005038200000000, -0.0000514300000000 ] - [ 0.0002335700000000, -0.0000794100000000, 0.0000336300000000 ] - [ -0.0002740900000000, 0.0004260900000000, -0.0000930900000000 ] - [ 0.0001247000000000, -0.0000291500000000, 0.0000488100000000 ] - [ 0.0004655000000000, 0.0000217500000000, 0.0003627400000000 ] - [ 0.0008809500000000, 0.0002181400000000, 0.0006721300000000 ] - [ 0.0002994800000000, 0.0002959200000000, 0.0003482800000000 ] - [ 0.0001574200000000, 0.0005807600000000, 0.0006070900000000 ] - [ 0.0003268300000000, -0.0000204700000000, 0.0002737900000000 ] - [ -0.0004613100000000, -0.0001209700000000, -0.0002636800000000 ] - [ 0.0000826000000000, -0.0003797600000000, 0.0002014200000000 ] - [ -0.0000852500000000, 0.0002107500000000, 0.0001267800000000 ] - [ 0.0005721300000000, -0.0007285600000000, -0.0004185900000000 ] - [ -0.0002212800000000, 0.0003441300000000, -0.0000083500000000 ] - [ 0.0001418700000000, 0.0001040200000000, 0.0001659800000000 ] - [ 0.0005227200000000, -0.0002408000000000, -0.0002063500000000 ] - [ 0.0004679200000000, -0.0000609800000000, -0.0005868500000000 ] - [ -0.0005398100000000, 0.0001328600000000, -0.0005729900000000 ] - [ 0.0004707000000000, 0.0004157100000000, 0.0000833700000000 ] - [ 0.0002387300000000, -0.0004186600000000, 0.0001892700000000 ] - [ 0.0004302900000000, 0.0000098100000000, -0.0000070500000000 ] - [ -0.0002737700000000, 0.0004502000000000, -0.0001392300000000 ] - [ 0.0002187500000000, -0.0002607000000000, 0.0001484500000000 ] - [ 0.0002094900000000, 0.0003849200000000, -0.0001369300000000 ] - [ 0.0006566400000000, -0.0000395900000000, -0.0003174900000000 ] - [ -0.0002081700000000, 0.0000734800000000, 0.0003430000000000 ] - [ -0.0000799100000000, -0.0007053800000000, 0.0005597800000000 ] - [ -0.0000572300000000, -0.0004906200000000, 0.0004624500000000 ] - [ -0.0005662300000000, -0.0003111400000000, 0.0007017900000000 ] - [ -0.0004005900000000, -0.0001173400000000, 0.0004990900000000 ] - [ -0.0021943700000000, 0.0022249000000000, -0.0000422100000000 ] - [ -0.0017923000000000, -0.0007225700000000, -0.0009307300000000 ] - [ 0.0001056900000000, 0.0002367800000000, 0.0003985100000000 ] - [ -0.0003098000000000, -0.0012475400000000, -0.0003338900000000 ] - [ -0.0004058700000000, 0.0008554300000000, 0.0002122700000000 ] - [ -0.0006821300000000, -0.0006504000000000, 0.0000787900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003397600000000, -0.0014226000000000, 0.0040878700000000 ] - [ -0.0002708100000000, 0.0010973200000000, -0.0002167800000000 ] - [ 0.0000534200000000, -0.0000312700000000, 0.0005799600000000 ] - [ -0.0006147300000000, 0.0006378000000000, 0.0025664900000000 ] - [ 0.0000587900000000, 0.0002604700000000, -0.0000001900000000 ] - [ 0.0011359300000000, 0.0005409000000000, 0.0009384600000000 ] - [ -0.0003223500000000, 0.0001453800000000, 0.0001162000000000 ] - [ -0.0008575900000000, 0.0006370300000000, 0.0001292300000000 ] - [ -0.0006880300000000, -0.0004262800000000, -0.0003103000000000 ] - [ 0.0002833200000000, 0.0005334300000000, 0.0003636900000000 ] - [ 0.0002926200000000, -0.0001395300000000, -0.0005644900000000 ] - [ -0.0002485500000000, 0.0004925000000000, -0.0000662300000000 ] - [ 0.0001287200000000, 0.0001692800000000, 0.0002522600000000 ] - [ -0.0003227700000000, 0.0001415500000000, 0.0004479600000000 ] - [ -0.0001567600000000, 0.0000423800000000, -0.0002873000000000 ] - [ 0.0004508700000000, -0.0001707500000000, -0.0000103700000000 ] - [ -0.0000512200000000, -0.0005110800000000, -0.0005496600000000 ] - [ 0.0008227900000000, -0.0007264300000000, 0.0000405400000000 ] - [ -0.0003527100000000, 0.0000145800000000, -0.0002479100000000 ] - [ -0.0000816100000000, 0.0009735300000000, -0.0002540000000000 ] - [ -0.0010244200000000, 0.0010631700000000, -0.0003396200000000 ] - [ 0.0003050100000000, -0.0003021700000000, -0.0010935300000000 ] - [ -0.0002285400000000, -0.0008989100000000, -0.0029099100000000 ] - [ -0.0002341700000000, -0.0002142100000000, -0.0000458800000000 ] - [ 0.0011110900000000, 0.0017196300000000, -0.0002521000000000 ] - [ 0.0005980600000000, 0.0019481200000000, -0.0005906500000000 ] - [ -0.0049487000000000, -0.0055385000000000, -0.0023113300000000 ] - [ -0.0006906200000000, -0.0003350600000000, -0.0003192900000000 ] - [ -0.0004243500000000, 0.0004480000000000, 0.0006165100000000 ] - [ -0.0000330700000000, 0.0002156200000000, -0.0000546700000000 ] - [ 0.0000993400000000, 0.0010077300000000, -0.0001470100000000 ] - [ 0.0002224800000000, -0.0001242000000000, -0.0008109800000000 ] - [ -0.0004692700000000, -0.0000931400000000, 0.0009382400000000 ] - [ -0.0007002500000000, 0.0007387500000000, 0.0000803100000000 ] - [ 0.0014340500000000, -0.0012394800000000, 0.0012153500000000 ] - [ -0.0001898800000000, -0.0009263700000000, -0.0004720500000000 ] - [ 0.0150636200000000, 0.0146138200000000, -0.0110603500000000 ] - [ -0.0000948700000000, -0.0005842400000000, 0.0008217500000000 ] - [ -0.0002812400000000, 0.0002792900000000, -0.0004838200000000 ] - [ -0.0004812100000000, 0.0003522600000000, -0.0003002600000000 ] - [ 0.0061385600000000, -0.0029092900000000, -0.0009184600000000 ] - [ 0.0002002600000000, 0.0011479900000000, 0.0002831100000000 ] - [ -0.0020033900000000, 0.0001742400000000, 0.0004658700000000 ] - [ 0.0003784400000000, -0.0007103400000000, 0.0000483700000000 ] - [ -0.0003790300000000, 0.0003012700000000, -0.0002028000000000 ] - [ 0.0002781200000000, 0.0000194000000000, -0.0004908100000000 ] - [ -0.0024128800000000, -0.0025915100000000, 0.0005571400000000 ] - [ 0.0000019700000000, 0.0009234900000000, -0.0000472000000000 ] - [ 0.0000102200000000, -0.0014744200000000, 0.0000846500000000 ] - [ 0.0010204600000000, 0.0008720100000000, 0.0000264800000000 ] - [ -0.0010336300000000, 0.0041280600000000, 0.0007836700000000 ] - [ -0.0003566200000000, 0.0011472900000000, -0.0013403100000000 ] - [ 0.1175097000000000, -0.3147711900000000, 0.0229229800000000 ] - [ -0.0084589800000000, 0.0270487600000000, -0.0031729700000000 ] - [ 0.0001437700000000, 0.0001570600000000, -0.0007128700000000 ] - [ -0.0003031000000000, -0.0003303800000000, -0.0003766800000000 ] - [ 0.0009234800000000, 0.0000024800000000, -0.0000857000000000 ] - [ 0.0004149000000000, 0.0004900700000000, 0.0003062100000000 ] - [ -0.0004451500000000, -0.0001517700000000, -0.0000068600000000 ] - [ -0.0007814500000000, 0.0000526000000000, 0.0000875600000000 ] - [ 0.0000650300000000, -0.0000808000000000, 0.0009235000000000 ] - [ -0.0004091800000000, -0.0003331900000000, -0.0004320300000000 ] - [ -0.0001788100000000, 0.0004957700000000, -0.0002604100000000 ] - [ -0.0000960300000000, -0.0007363200000000, -0.0000208400000000 ] - [ 0.0000448100000000, -0.0008405100000000, 0.0000436800000000 ] - [ 0.0001650600000000, 0.0003356300000000, 0.0002577900000000 ] - [ 0.0002635200000000, 0.0003097200000000, 0.0003637000000000 ] - [ -0.0000693500000000, 0.0001905400000000, -0.0006523700000000 ] - [ 0.0006528600000000, -0.0000745800000000, -0.0001403300000000 ] - [ 0.0006454100000000, -0.0001666500000000, 0.0001495400000000 ] - [ -0.0004291900000000, 0.0001882700000000, -0.0001785000000000 ] - [ 0.0003773900000000, 0.0003695500000000, -0.0005372100000000 ] - [ 0.0000029500000000, -0.0000734000000000, -0.0007821200000000 ] - [ -0.0002894700000000, -0.0001186200000000, 0.0005983500000000 ] - [ -0.0001903000000000, -0.0003501000000000, 0.0003353500000000 ] - [ -0.0000428600000000, 0.0010315600000000, -0.0000122600000000 ] - [ -0.1145786800000000, 0.2927825800000000, -0.0250549200000000 ] - [ 0.0000617000000000, -0.0011109700000000, 0.0002295400000000 ] - [ 0.0003654000000000, 0.0002034000000000, 0.0001477700000000 ] - [ 0.0000020200000000, -0.0016044700000000, -0.0008929000000000 ] - [ -0.0001854800000000, -0.0011099200000000, 0.0012873500000000 ] - [ 0.0000020500000000, -0.0003647500000000, 0.0003302500000000 ] - [ -0.0009491500000000, -0.0047044100000000, 0.0032694000000000 ] - [ 0.0000429100000000, -0.0000726100000000, -0.0005625400000000 ] - [ 0.0051104500000000, -0.0100136900000000, 0.0092547900000000 ] - [ 0.0003429600000000, -0.0005751600000000, 0.0003430000000000 ] - [ 0.0004099500000000, -0.0006323000000000, -0.0001234500000000 ] - [ -0.0004662700000000, 0.0003529700000000, 0.0001740900000000 ] - [ 0.0001158400000000, 0.0001093200000000, 0.0000648300000000 ] - [ -0.0020261600000000, 0.0014363000000000, 0.0007482300000000 ] - [ -0.0003476600000000, 0.0021016100000000, 0.0002910800000000 ] - [ -0.0048568100000000, -0.0023059000000000, 0.0021568600000000 ] - [ 0.0006674600000000, -0.0012653700000000, -0.0008784900000000 ] - [ 0.0000913800000000, -0.0010790700000000, 0.0002650600000000 ] - [ 0.0006351400000000, -0.0003839700000000, 0.0005246100000000 ] - [ -0.0007653700000000, -0.0001488300000000, 0.0008783200000000 ] - [ -0.0005278400000000, -0.0001164600000000, 0.0002208000000000 ] - [ -0.0002751100000000, 0.0004228900000000, -0.0002255000000000 ] - [ 0.0005538300000000, -0.0001916400000000, 0.0001569400000000 ] - [ -0.0001940000000000, -0.0008480100000000, 0.0002270500000000 ] - [ 0.0003235400000000, -0.0001613100000000, 0.0001072200000000 ] - [ -0.0001459600000000, 0.0016927900000000, -0.0015355300000000 ] - [ 0.0029998300000000, -0.0004761300000000, 0.0008235200000000 ] - [ -0.0012595800000000, 0.0002991000000000, 0.0001101500000000 ] - [ 0.0001910700000000, 0.0010672100000000, -0.0009282200000000 ] - [ 0.0000076200000000, 0.0005238400000000, -0.0002265700000000 ] - [ -0.0002078300000000, -0.0001225100000000, -0.0006776600000000 ] - [ -0.0004635400000000, 0.0005635000000000, -0.0002402200000000 ] - [ -0.0002252500000000, -0.0002510000000000, -0.0002200900000000 ] - [ 0.0004969600000000, 0.0001311900000000, -0.0000314000000000 ] - [ 0.0001247700000000, -0.0003081600000000, -0.0000765900000000 ] - [ 0.0000524400000000, 0.0000533800000000, -0.0000826800000000 ] - [ 0.0001753200000000, -0.0003775300000000, 0.0006646900000000 ] - [ -0.0006244700000000, 0.0005658400000000, -0.0000106100000000 ] - [ 0.0006716200000000, 0.0008516300000000, 0.0000280500000000 ] - [ 0.0004602000000000, -0.0003433800000000, -0.0000347700000000 ] - [ 0.0002661400000000, 0.0003954100000000, 0.0001060200000000 ] - [ 0.0003089800000000, 0.0001376000000000, -0.0001532300000000 ] - [ -0.0003929700000000, 0.0005474100000000, 0.0000843700000000 ] - [ 0.0000082600000000, 0.0000937500000000, 0.0000534200000000 ] - [ 0.0004167400000000, -0.0003244100000000, 0.0004071100000000 ] - [ 0.0006175300000000, 0.0007252800000000, 0.0005003500000000 ] - [ 0.0003827100000000, 0.0002176400000000, 0.0002552800000000 ] - [ 0.0001647200000000, 0.0003967500000000, 0.0006536000000000 ] - [ 0.0001463200000000, -0.0002316600000000, 0.0001263300000000 ] - [ -0.0005465900000000, -0.0002598600000000, -0.0002335600000000 ] - [ -0.0000478400000000, -0.0007136300000000, 0.0000755700000000 ] - [ -0.0000801900000000, 0.0003961500000000, 0.0001079200000000 ] - [ 0.0009328300000000, -0.0000888600000000, -0.0003338000000000 ] - [ -0.0003269700000000, 0.0007855900000000, 0.0001370600000000 ] - [ 0.0000202200000000, -0.0001042500000000, 0.0001703400000000 ] - [ 0.0003990000000000, -0.0002947200000000, -0.0000784800000000 ] - [ -0.0003022000000000, -0.0003927500000000, -0.0005357500000000 ] - [ -0.0006042800000000, 0.0002621900000000, -0.0005375600000000 ] - [ -0.0007503800000000, 0.0018031400000000, -0.0004796300000000 ] - [ 0.0014239000000000, 0.0003394900000000, 0.0006240700000000 ] - [ 0.0000609800000000, -0.0005213200000000, -0.0002206500000000 ] - [ -0.0003316100000000, 0.0002319300000000, 0.0000937300000000 ] - [ 0.0001485700000000, -0.0007062700000000, 0.0001213400000000 ] - [ 0.0004406300000000, 0.0008604500000000, -0.0006022600000000 ] - [ 0.0008933500000000, -0.0008767500000000, -0.0006941300000000 ] - [ -0.0002863300000000, 0.0004600200000000, 0.0004492500000000 ] - [ -0.0000104900000000, -0.0007532200000000, 0.0005275400000000 ] - [ 0.0001835300000000, -0.0008800200000000, 0.0005632500000000 ] - [ -0.0009267800000000, -0.0006479400000000, 0.0009897200000000 ] - [ -0.0002773900000000, -0.0000398400000000, 0.0007194000000000 ] - [ -0.0033818800000000, 0.0012836800000000, 0.0026509700000000 ] - [ -0.0028243800000000, -0.0025358700000000, -0.0011794600000000 ] - [ 0.0001693800000000, 0.0002553400000000, 0.0001203200000000 ] - [ -0.0003445600000000, -0.0025988100000000, -0.0006780400000000 ] - [ -0.0000057700000000, 0.0011210800000000, -0.0016492500000000 ] - [ -0.0006586000000000, -0.0009937500000000, -0.0000259900000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007979000000000, 0.0006038900000000, -0.0043146200000000 ] - [ -0.0003283900000000, -0.0010287200000000, -0.0007900400000000 ] - [ -0.0002100900000000, -0.0004418400000000, 0.0002461500000000 ] - [ 0.0016310500000000, -0.0000411700000000, -0.0025355600000000 ] - [ 0.0000310300000000, 0.0007432900000000, 0.0006054400000000 ] - [ -0.0003196800000000, -0.0003918100000000, -0.0004773200000000 ] - [ -0.0005086400000000, -0.0003014900000000, 0.0003584000000000 ] - [ 0.0007846800000000, -0.0016649200000000, 0.0004732300000000 ] - [ -0.0003081700000000, -0.0001691400000000, 0.0004090400000000 ] - [ -0.0001329000000000, -0.0000674300000000, 0.0004667800000000 ] - [ 0.0003065900000000, 0.0000500200000000, -0.0004352300000000 ] - [ -0.0002198000000000, 0.0003341800000000, -0.0000867500000000 ] - [ 0.0003468600000000, 0.0006647000000000, -0.0001030400000000 ] - [ -0.0002732200000000, -0.0002365900000000, 0.0005532500000000 ] - [ 0.0000094800000000, 0.0004322300000000, -0.0005454800000000 ] - [ 0.0005518100000000, -0.0004291000000000, -0.0000799100000000 ] - [ 0.0001453700000000, -0.0004895900000000, -0.0000433200000000 ] - [ 0.0000048400000000, 0.0005915800000000, -0.0005218200000000 ] - [ -0.0004763700000000, 0.0001403300000000, -0.0002230900000000 ] - [ -0.0000079100000000, 0.0000173900000000, -0.0003462900000000 ] - [ 0.0000368000000000, -0.0004828300000000, 0.0002586300000000 ] - [ -0.0001578000000000, -0.0001656500000000, 0.0002764800000000 ] - [ 0.0008285400000000, 0.0009903300000000, 0.0040035500000000 ] - [ -0.0002366400000000, -0.0006173800000000, 0.0002020800000000 ] - [ -0.0007093800000000, -0.0028764700000000, 0.0009022500000000 ] - [ 0.0000166600000000, -0.0024073300000000, 0.0017198500000000 ] - [ 0.0061733200000000, 0.0063076000000000, 0.0019301200000000 ] - [ -0.0004142800000000, -0.0002995800000000, -0.0001027900000000 ] - [ -0.0002079600000000, -0.0000268100000000, 0.0004886800000000 ] - [ -0.0003888700000000, 0.0008947900000000, 0.0007009400000000 ] - [ 0.0003298800000000, 0.0000902200000000, -0.0004958600000000 ] - [ 0.0004188600000000, 0.0005554200000000, -0.0002888100000000 ] - [ 0.0015989300000000, -0.0005518300000000, -0.0005320800000000 ] - [ -0.0004029200000000, -0.0001092900000000, 0.0003478300000000 ] - [ -0.0021008900000000, 0.0008584300000000, -0.0023513000000000 ] - [ -0.0002344600000000, -0.0001734300000000, -0.0001603300000000 ] - [ -0.0161605900000000, -0.0142505900000000, 0.0120130400000000 ] - [ 0.0006408700000000, 0.0011463100000000, -0.0002699300000000 ] - [ -0.0006368300000000, 0.0006459100000000, -0.0004099300000000 ] - [ -0.0000178300000000, -0.0008639900000000, 0.0008151400000000 ] - [ -0.0057142900000000, 0.0034585600000000, 0.0014082800000000 ] - [ 0.0007188900000000, -0.0020902500000000, -0.0012119000000000 ] - [ 0.0015046400000000, -0.0007342900000000, 0.0000741100000000 ] - [ 0.0002894700000000, 0.0000463200000000, 0.0006274900000000 ] - [ -0.0002843200000000, -0.0009811100000000, -0.0004693500000000 ] - [ 0.0002742900000000, -0.0005738600000000, -0.0000513600000000 ] - [ 0.0015591700000000, 0.0017122600000000, 0.0003567700000000 ] - [ -0.0005062400000000, -0.0004338500000000, -0.0004586000000000 ] - [ 0.0004981400000000, 0.0009982400000000, -0.0005948000000000 ] - [ -0.0001196100000000, 0.0000324800000000, 0.0008965100000000 ] - [ 0.0005033300000000, -0.0036745300000000, -0.0013647800000000 ] - [ 0.0010370400000000, -0.0004945100000000, 0.0006922500000000 ] - [ -0.1048120000000000, 0.2963076400000000, -0.0203965500000000 ] - [ 0.0084493900000000, -0.0272457400000000, 0.0025730600000000 ] - [ 0.0003242500000000, -0.0004516300000000, -0.0001959600000000 ] - [ 0.0002637000000000, 0.0001429700000000, 0.0018552100000000 ] - [ 0.0005255400000000, 0.0000429700000000, 0.0002817000000000 ] - [ 0.0004995600000000, -0.0000294600000000, -0.0000206100000000 ] - [ -0.0004701200000000, -0.0003153200000000, 0.0002962800000000 ] - [ -0.0006705300000000, -0.0000983000000000, 0.0001057500000000 ] - [ -0.0000208300000000, 0.0002771500000000, 0.0005252800000000 ] - [ -0.0000512900000000, 0.0006278000000000, -0.0004855300000000 ] - [ -0.0001094200000000, 0.0004179900000000, -0.0002050500000000 ] - [ -0.0000969500000000, -0.0007174800000000, 0.0000664600000000 ] - [ 0.0001500300000000, -0.0006103900000000, -0.0000897900000000 ] - [ 0.0001244900000000, 0.0005807900000000, 0.0002078800000000 ] - [ 0.0002024100000000, -0.0000238900000000, 0.0005526100000000 ] - [ 0.0000264700000000, 0.0000004200000000, -0.0008039200000000 ] - [ 0.0008046300000000, 0.0000315000000000, -0.0000508000000000 ] - [ 0.0002660800000000, -0.0003004300000000, -0.0004439700000000 ] - [ -0.0004862000000000, 0.0002785900000000, -0.0001081500000000 ] - [ -0.0018544900000000, -0.0003310600000000, 0.0003538700000000 ] - [ 0.0000418900000000, -0.0001197300000000, -0.0006711300000000 ] - [ -0.0001755100000000, -0.0001706000000000, 0.0003126300000000 ] - [ -0.0000968100000000, -0.0005661200000000, 0.0001287100000000 ] - [ -0.0001505700000000, 0.0004174500000000, -0.0000320800000000 ] - [ 0.1040788100000000, -0.2751203300000000, 0.0227095900000000 ] - [ -0.0002803000000000, 0.0017385100000000, 0.0008660400000000 ] - [ 0.0002243500000000, -0.0013009800000000, 0.0000633500000000 ] - [ -0.0002902500000000, 0.0019338100000000, 0.0006277900000000 ] - [ -0.0005795700000000, 0.0003397300000000, -0.0010841200000000 ] - [ 0.0000629100000000, 0.0004361900000000, -0.0004009500000000 ] - [ 0.0017618000000000, 0.0045719800000000, -0.0041144300000000 ] - [ 0.0005238400000000, -0.0004379200000000, -0.0004825400000000 ] - [ -0.0051755300000000, 0.0096819900000000, -0.0103733500000000 ] - [ -0.0001718900000000, -0.0007150200000000, -0.0016070400000000 ] - [ -0.0000451300000000, 0.0006923500000000, -0.0006280500000000 ] - [ -0.0006097800000000, -0.0001565600000000, 0.0004052400000000 ] - [ -0.0000678900000000, 0.0006452500000000, -0.0004355300000000 ] - [ 0.0016833500000000, -0.0018342800000000, -0.0011359800000000 ] - [ 0.0008635800000000, -0.0011062200000000, 0.0002372700000000 ] - [ 0.0041950000000000, 0.0019270900000000, -0.0022114300000000 ] - [ -0.0003663000000000, 0.0009792600000000, 0.0005831100000000 ] - [ 0.0009635600000000, 0.0016606200000000, 0.0002370400000000 ] - [ 0.0006070800000000, 0.0005697300000000, 0.0007632300000000 ] - [ -0.0004718900000000, -0.0000258100000000, 0.0004023400000000 ] - [ -0.0005182000000000, -0.0004514000000000, 0.0002810700000000 ] - [ -0.0000348100000000, -0.0001170900000000, -0.0000894900000000 ] - [ 0.0001865700000000, 0.0005756300000000, -0.0001976300000000 ] - [ -0.0003193500000000, -0.0001755400000000, 0.0003253700000000 ] - [ 0.0000520900000000, 0.0005480300000000, -0.0004926100000000 ] - [ 0.0000966800000000, -0.0024823500000000, 0.0012031400000000 ] - [ -0.0019846700000000, 0.0002844000000000, -0.0002561200000000 ] - [ 0.0008989200000000, -0.0003400700000000, -0.0008586400000000 ] - [ -0.0003742400000000, 0.0002117600000000, -0.0003036500000000 ] - [ -0.0002473500000000, 0.0002351100000000, -0.0005476100000000 ] - [ -0.0003453600000000, 0.0006419100000000, -0.0003487700000000 ] - [ -0.0003203300000000, -0.0003473700000000, -0.0005278900000000 ] - [ 0.0001642800000000, 0.0001926700000000, 0.0001602900000000 ] - [ 0.0002663500000000, 0.0006565500000000, 0.0002587500000000 ] - [ 0.0001631800000000, 0.0000229800000000, -0.0002137300000000 ] - [ -0.0006422000000000, 0.0010395800000000, 0.0002889900000000 ] - [ 0.0000415700000000, -0.0002111600000000, 0.0004222500000000 ] - [ -0.0006609100000000, 0.0006779700000000, -0.0001674500000000 ] - [ 0.0006091800000000, 0.0003849400000000, 0.0001490100000000 ] - [ -0.0006961100000000, -0.0002464100000000, -0.0010658100000000 ] - [ 0.0003237700000000, 0.0006981500000000, -0.0003296600000000 ] - [ -0.0006124900000000, -0.0004336100000000, 0.0004504100000000 ] - [ -0.0003750700000000, 0.0002323400000000, -0.0003136800000000 ] - [ 0.0000527500000000, -0.0001570900000000, 0.0000071400000000 ] - [ 0.0003515500000000, 0.0005693900000000, 0.0003549200000000 ] - [ -0.0000731200000000, -0.0002309500000000, 0.0005422200000000 ] - [ -0.0001647600000000, 0.0005525700000000, 0.0005283600000000 ] - [ 0.0000093000000000, 0.0008938200000000, 0.0005882600000000 ] - [ 0.0002169200000000, 0.0001871300000000, 0.0006295800000000 ] - [ -0.0005422000000000, 0.0000463100000000, -0.0003565100000000 ] - [ 0.0000874100000000, -0.0000246400000000, 0.0003012400000000 ] - [ -0.0002996100000000, -0.0000223700000000, 0.0002718300000000 ] - [ -0.0004453300000000, -0.0009583300000000, -0.0002213900000000 ] - [ -0.0004195300000000, -0.0004223900000000, -0.0001015000000000 ] - [ 0.0002953400000000, 0.0004210900000000, 0.0001410000000000 ] - [ 0.0006469400000000, -0.0002639400000000, -0.0004289800000000 ] - [ 0.0015640000000000, 0.0002218300000000, -0.0007541400000000 ] - [ -0.0006381700000000, -0.0000903200000000, -0.0007507700000000 ] - [ -0.0002950600000000, -0.0012765400000000, -0.0000287800000000 ] - [ -0.0017707300000000, -0.0006592900000000, -0.0003229400000000 ] - [ 0.0006884900000000, 0.0001515100000000, 0.0002698200000000 ] - [ -0.0001715900000000, 0.0008159500000000, -0.0006613200000000 ] - [ 0.0002291800000000, 0.0003395000000000, 0.0002570300000000 ] - [ -0.0004885100000000, -0.0001251100000000, 0.0009958600000000 ] - [ 0.0001852000000000, 0.0011161500000000, 0.0001157200000000 ] - [ -0.0000850600000000, -0.0004281000000000, 0.0002948500000000 ] - [ -0.0001668900000000, -0.0005275800000000, 0.0007171700000000 ] - [ -0.0004169100000000, 0.0001255200000000, 0.0002136600000000 ] - [ 0.0003855000000000, 0.0001454500000000, 0.0000335500000000 ] - [ -0.0005057600000000, -0.0001912000000000, 0.0000365700000000 ] - [ 0.0034018300000000, -0.0012685900000000, -0.0026355800000000 ] - [ 0.0036686100000000, 0.0018046800000000, 0.0009783100000000 ] - [ 0.0001198500000000, 0.0000302900000000, 0.0001648700000000 ] - [ -0.0002367200000000, 0.0015603800000000, 0.0004847700000000 ] - [ 0.0002240300000000, -0.0005606400000000, 0.0005649300000000 ] - [ -0.0006282500000000, -0.0002411300000000, 0.0002042000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014307700000000, 0.0030502700000000, 0.0034100500000000 ] - [ -0.0003221400000000, -0.0001996200000000, -0.0006627800000000 ] - [ -0.0001524400000000, -0.0001833100000000, 0.0003871700000000 ] - [ -0.0001377300000000, 0.0015359800000000, -0.0005298000000000 ] - [ -0.0000943000000000, 0.0005189400000000, 0.0008050400000000 ] - [ 0.0003237500000000, 0.0002657500000000, -0.0000729200000000 ] - [ -0.0004340600000000, -0.0001459700000000, 0.0003069900000000 ] - [ 0.0002316800000000, -0.0008710000000000, 0.0003426600000000 ] - [ -0.0003924000000000, -0.0003786000000000, 0.0002256900000000 ] - [ 0.0000097400000000, 0.0000945700000000, 0.0003860600000000 ] - [ 0.0003627700000000, -0.0000213700000000, -0.0004035300000000 ] - [ -0.0002314600000000, 0.0004126300000000, -0.0000696400000000 ] - [ 0.0002647900000000, 0.0004730500000000, -0.0000698000000000 ] - [ -0.0002874100000000, -0.0000948700000000, 0.0005295600000000 ] - [ -0.0000319400000000, 0.0003123100000000, -0.0004877900000000 ] - [ 0.0005029600000000, -0.0003043500000000, -0.0000321900000000 ] - [ 0.0000816300000000, -0.0005286700000000, -0.0001880300000000 ] - [ -0.0000200800000000, 0.0000581400000000, -0.0004901000000000 ] - [ -0.0003173500000000, 0.0001405200000000, -0.0001557000000000 ] - [ -0.0000393600000000, 0.0003593900000000, -0.0003370400000000 ] - [ -0.0005023200000000, 0.0002350000000000, -0.0000053800000000 ] - [ -0.0000056900000000, -0.0003395000000000, 0.0001836300000000 ] - [ 0.0018997000000000, -0.0024066500000000, 0.0044001200000000 ] - [ -0.0002395400000000, -0.0003599800000000, 0.0001859000000000 ] - [ -0.0000362100000000, -0.0012891700000000, 0.0005097300000000 ] - [ 0.0005300300000000, -0.0006021400000000, 0.0007465000000000 ] - [ 0.0046493000000000, 0.0005575800000000, 0.0001691300000000 ] - [ -0.0007050300000000, -0.0000399200000000, -0.0000034300000000 ] - [ -0.0001143000000000, 0.0003284400000000, 0.0006329500000000 ] - [ -0.0004860000000000, 0.0006571400000000, 0.0005370900000000 ] - [ 0.0002580000000000, 0.0004465800000000, -0.0004575600000000 ] - [ 0.0002822600000000, 0.0002502200000000, -0.0003514700000000 ] - [ 0.0008355500000000, -0.0002891000000000, -0.0001637500000000 ] - [ -0.0005238500000000, 0.0002426400000000, 0.0002943700000000 ] - [ 0.0003609300000000, 0.0011793200000000, -0.0014292600000000 ] - [ -0.0002321300000000, -0.0007099800000000, 0.0003124800000000 ] - [ -0.0033856000000000, -0.0082626800000000, 0.0018058600000000 ] - [ -0.0002946300000000, 0.0004182000000000, 0.0021636000000000 ] - [ -0.0003857400000000, 0.0012865700000000, 0.0011934800000000 ] - [ -0.0002482100000000, -0.0003338900000000, 0.0005356300000000 ] - [ -0.0037012000000000, -0.0014127300000000, -0.0018918800000000 ] - [ 0.0005186500000000, -0.0007919500000000, -0.0007604500000000 ] - [ 0.0003896000000000, -0.0004659700000000, 0.0001552600000000 ] - [ 0.0002109100000000, -0.0001932500000000, 0.0006292600000000 ] - [ -0.0002839400000000, -0.0004630600000000, -0.0004669500000000 ] - [ 0.0002541100000000, -0.0004008400000000, -0.0000178200000000 ] - [ 0.0001548700000000, -0.0005956100000000, 0.0002883100000000 ] - [ -0.0001636700000000, 0.0002849500000000, -0.0005002400000000 ] - [ 0.0001019900000000, 0.0000574100000000, 0.0000336000000000 ] - [ 0.0002622900000000, 0.0003088900000000, 0.0007408300000000 ] - [ -0.0000849900000000, -0.0012329400000000, -0.0004666400000000 ] - [ 0.0004933400000000, 0.0001439400000000, -0.0000109200000000 ] - [ -0.0071994300000000, 0.0238594200000000, -0.0272109300000000 ] - [ 0.0011065700000000, -0.0046499500000000, 0.0001255500000000 ] - [ 0.0002460500000000, -0.0002710100000000, -0.0002638200000000 ] - [ 0.0001354500000000, -0.0000921200000000, 0.0010750000000000 ] - [ 0.0007690200000000, -0.0001074300000000, 0.0001599600000000 ] - [ 0.0004539100000000, 0.0001677800000000, 0.0001096600000000 ] - [ -0.0004698900000000, -0.0003673900000000, 0.0002779700000000 ] - [ -0.0007073400000000, -0.0000272600000000, 0.0000918200000000 ] - [ -0.0001076400000000, 0.0001777900000000, 0.0007063700000000 ] - [ -0.0002519500000000, 0.0002611500000000, -0.0005766600000000 ] - [ -0.0001110700000000, 0.0004625300000000, -0.0002081400000000 ] - [ -0.0001120700000000, -0.0006831700000000, 0.0000560300000000 ] - [ 0.0001214800000000, -0.0006591100000000, -0.0000531500000000 ] - [ 0.0001183300000000, 0.0004825000000000, 0.0002174800000000 ] - [ 0.0002281000000000, 0.0001241700000000, 0.0004682200000000 ] - [ -0.0000021600000000, 0.0000656300000000, -0.0007792700000000 ] - [ 0.0007736700000000, -0.0000023600000000, -0.0000650700000000 ] - [ 0.0003669800000000, -0.0002451900000000, -0.0002933600000000 ] - [ -0.0004821900000000, 0.0001872800000000, -0.0000020500000000 ] - [ -0.0010087900000000, -0.0001357300000000, -0.0000582100000000 ] - [ 0.0000272600000000, -0.0001106300000000, -0.0006510400000000 ] - [ -0.0002098800000000, -0.0000631400000000, 0.0004557900000000 ] - [ -0.0001111400000000, -0.0003896700000000, 0.0001999700000000 ] - [ -0.0000864200000000, 0.0007163700000000, -0.0000118700000000 ] - [ 0.0076338100000000, -0.0217632100000000, 0.0160090700000000 ] - [ -0.0001999500000000, 0.0005166300000000, 0.0005603400000000 ] - [ 0.0003012700000000, -0.0003428700000000, -0.0005458900000000 ] - [ 0.0000352100000000, 0.0008595700000000, 0.0005564000000000 ] - [ -0.0005387400000000, -0.0001203400000000, -0.0000418400000000 ] - [ 0.0000444400000000, 0.0001001600000000, -0.0001667200000000 ] - [ 0.0002849500000000, 0.0010612100000000, -0.0011548000000000 ] - [ 0.0005585800000000, -0.0004367200000000, -0.0010601400000000 ] - [ -0.0022705300000000, 0.0056161500000000, 0.0048710500000000 ] - [ -0.0000278700000000, -0.0005406000000000, -0.0011195200000000 ] - [ 0.0001247700000000, 0.0001636000000000, -0.0004824300000000 ] - [ -0.0001353500000000, -0.0001877500000000, -0.0000579900000000 ] - [ 0.0000249400000000, 0.0003819500000000, -0.0004343600000000 ] - [ 0.0026704800000000, 0.0005843900000000, -0.0012013100000000 ] - [ -0.0006304900000000, -0.0003123600000000, -0.0012423800000000 ] - [ 0.0000265900000000, 0.0006460000000000, 0.0002229000000000 ] - [ 0.0000180800000000, 0.0001140400000000, 0.0001587100000000 ] - [ 0.0006029100000000, 0.0006248700000000, 0.0002816100000000 ] - [ 0.0006201300000000, 0.0001937500000000, 0.0006821300000000 ] - [ -0.0006178400000000, 0.0001201400000000, 0.0004235200000000 ] - [ -0.0007016300000000, -0.0008392800000000, 0.0000461100000000 ] - [ -0.0003370100000000, 0.0001771700000000, -0.0007167600000000 ] - [ 0.0003321000000000, 0.0001966000000000, -0.0001296600000000 ] - [ -0.0002467100000000, -0.0005198500000000, 0.0003512100000000 ] - [ 0.0001535700000000, 0.0002991800000000, -0.0003245000000000 ] - [ 0.0001414700000000, -0.0009779900000000, 0.0012419300000000 ] - [ -0.0002131200000000, 0.0000984900000000, 0.0002124200000000 ] - [ 0.0006686800000000, 0.0003998800000000, -0.0003555000000000 ] - [ 0.0000073700000000, 0.0004736900000000, -0.0004344600000000 ] - [ -0.0000794600000000, 0.0003217800000000, -0.0005346000000000 ] - [ -0.0002829200000000, 0.0003439000000000, -0.0004317100000000 ] - [ -0.0002199400000000, -0.0000848900000000, -0.0005680700000000 ] - [ -0.0000013800000000, 0.0000188000000000, 0.0000975100000000 ] - [ 0.0003085300000000, 0.0004313300000000, 0.0001963800000000 ] - [ 0.0001777700000000, -0.0000880000000000, -0.0002241000000000 ] - [ -0.0004292000000000, 0.0007378200000000, 0.0002076300000000 ] - [ 0.0000308000000000, -0.0002912100000000, 0.0003805100000000 ] - [ -0.0006460800000000, 0.0005961200000000, -0.0001451500000000 ] - [ 0.0005936100000000, 0.0005396100000000, 0.0001305000000000 ] - [ -0.0002822000000000, -0.0002543000000000, -0.0006928000000000 ] - [ 0.0003395400000000, 0.0006591000000000, -0.0002784400000000 ] - [ -0.0002959200000000, -0.0002303000000000, 0.0003133400000000 ] - [ -0.0003379600000000, 0.0003758600000000, -0.0003283700000000 ] - [ 0.0000494500000000, -0.0000914100000000, -0.0000226300000000 ] - [ 0.0003576200000000, 0.0001965800000000, 0.0004409300000000 ] - [ 0.0002427100000000, 0.0002227500000000, 0.0005426500000000 ] - [ 0.0000496000000000, 0.0003869200000000, 0.0004685200000000 ] - [ 0.0000777900000000, 0.0006979400000000, 0.0006482800000000 ] - [ 0.0001404300000000, 0.0000079900000000, 0.0005580100000000 ] - [ -0.0005391700000000, -0.0000724300000000, -0.0003571900000000 ] - [ -0.0000033700000000, -0.0003675700000000, 0.0002018200000000 ] - [ -0.0001649000000000, 0.0001150300000000, 0.0000914000000000 ] - [ 0.0001128300000000, -0.0005325900000000, -0.0000424000000000 ] - [ -0.0002782500000000, 0.0000475000000000, -0.0001179900000000 ] - [ 0.0001959300000000, 0.0002222800000000, 0.0001194400000000 ] - [ 0.0005544400000000, -0.0002499700000000, -0.0003958700000000 ] - [ 0.0009406100000000, 0.0000659900000000, -0.0005612800000000 ] - [ -0.0006763300000000, 0.0000986100000000, -0.0007787300000000 ] - [ -0.0008963100000000, 0.0000992500000000, -0.0000020600000000 ] - [ -0.0003650800000000, 0.0000149100000000, 0.0002453700000000 ] - [ 0.0002537400000000, -0.0003955800000000, 0.0001566000000000 ] - [ -0.0002508300000000, 0.0005869100000000, -0.0004870200000000 ] - [ 0.0002038100000000, -0.0001157700000000, 0.0002876400000000 ] - [ 0.0001465500000000, 0.0000772500000000, 0.0002596700000000 ] - [ 0.0004488400000000, 0.0004502200000000, -0.0001715700000000 ] - [ -0.0001368900000000, -0.0000772800000000, 0.0000692600000000 ] - [ -0.0001064000000000, -0.0006656600000000, 0.0005791700000000 ] - [ -0.0002029000000000, -0.0003105900000000, 0.0003252800000000 ] - [ -0.0000643200000000, -0.0000868900000000, 0.0002752200000000 ] - [ -0.0004147300000000, -0.0001005600000000, 0.0001866300000000 ] - [ 0.0012692400000000, 0.0020394100000000, -0.0011749300000000 ] - [ 0.0015783200000000, 0.0003008400000000, 0.0012688000000000 ] - [ 0.0000092300000000, -0.0001199200000000, -0.0005527500000000 ] - [ -0.0002539900000000, 0.0000063900000000, 0.0000323900000000 ] - [ -0.0000163900000000, -0.0008460300000000, -0.0021483000000000 ] - [ -0.0006478300000000, -0.0006683500000000, 0.0001278000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0018803700000000, -0.0038401800000000, -0.0034995300000000 ] - [ -0.0002746900000000, 0.0002895800000000, -0.0003356900000000 ] - [ -0.0000000600000000, -0.0002864800000000, 0.0004428900000000 ] - [ 0.0011432300000000, -0.0009459300000000, 0.0006232700000000 ] - [ 0.0001872200000000, 0.0004809700000000, -0.0002092400000000 ] - [ 0.0005049000000000, -0.0001150200000000, 0.0005418300000000 ] - [ -0.0003954800000000, -0.0000051900000000, 0.0001664900000000 ] - [ -0.0003241800000000, -0.0001266700000000, 0.0002553600000000 ] - [ -0.0006078200000000, -0.0002185300000000, -0.0001376800000000 ] - [ 0.0001415300000000, 0.0003770600000000, 0.0004454100000000 ] - [ 0.0002338600000000, -0.0000695400000000, -0.0005972500000000 ] - [ -0.0002392500000000, 0.0004158900000000, -0.0000827500000000 ] - [ 0.0002044300000000, 0.0003559300000000, 0.0002223300000000 ] - [ -0.0003092500000000, 0.0000033600000000, 0.0004694400000000 ] - [ -0.0001201700000000, 0.0001584500000000, -0.0003419700000000 ] - [ 0.0004971500000000, -0.0002916400000000, -0.0000575000000000 ] - [ 0.0000090100000000, -0.0004706600000000, -0.0004103400000000 ] - [ 0.0008500100000000, -0.0002086700000000, 0.0000149000000000 ] - [ -0.0005132400000000, 0.0000112700000000, -0.0003169500000000 ] - [ -0.0000510200000000, 0.0006403300000000, -0.0002617700000000 ] - [ -0.0004941500000000, 0.0003591400000000, -0.0000790500000000 ] - [ 0.0001577200000000, -0.0001319100000000, -0.0010144200000000 ] - [ -0.0013291000000000, 0.0025297700000000, -0.0034575800000000 ] - [ -0.0002314200000000, -0.0004698100000000, -0.0000334100000000 ] - [ 0.0004623900000000, 0.0001856900000000, 0.0001252000000000 ] - [ 0.0001049300000000, 0.0001746900000000, 0.0003707500000000 ] - [ -0.0035475100000000, 0.0000766900000000, -0.0006162800000000 ] - [ -0.0003991000000000, -0.0006015600000000, -0.0004223700000000 ] - [ -0.0005224100000000, 0.0000970800000000, 0.0004726900000000 ] - [ 0.0000630000000000, 0.0004482800000000, 0.0001025400000000 ] - [ 0.0001654300000000, 0.0006599000000000, -0.0001812500000000 ] - [ 0.0003544000000000, 0.0001742600000000, -0.0007547400000000 ] - [ 0.0002731300000000, -0.0003467100000000, 0.0005830200000000 ] - [ -0.0005823700000000, 0.0003962200000000, 0.0001301800000000 ] - [ -0.0010059800000000, -0.0016071900000000, 0.0003396300000000 ] - [ -0.0001914000000000, -0.0003923600000000, -0.0009531000000000 ] - [ 0.0027515500000000, 0.0089150000000000, -0.0011955800000000 ] - [ 0.0008484500000000, 0.0001246700000000, -0.0016396700000000 ] - [ -0.0005232100000000, -0.0003716700000000, -0.0020990100000000 ] - [ -0.0002531000000000, -0.0001663700000000, -0.0000370200000000 ] - [ 0.0042065200000000, 0.0019367900000000, 0.0024510200000000 ] - [ 0.0003927400000000, -0.0001230800000000, -0.0001505800000000 ] - [ -0.0009413300000000, -0.0000791000000000, 0.0003860800000000 ] - [ 0.0004545800000000, -0.0004767000000000, 0.0000395700000000 ] - [ -0.0003832000000000, -0.0002026900000000, -0.0002022800000000 ] - [ 0.0002934300000000, -0.0001455000000000, -0.0005284800000000 ] - [ -0.0010662300000000, -0.0003186800000000, 0.0006327700000000 ] - [ -0.0003359500000000, 0.0002119900000000, 0.0000045800000000 ] - [ 0.0003964700000000, -0.0005565200000000, -0.0005303100000000 ] - [ 0.0006532700000000, 0.0006014800000000, 0.0001723500000000 ] - [ -0.0004647500000000, 0.0017676400000000, -0.0001015200000000 ] - [ 0.0001727600000000, 0.0005258400000000, -0.0006576500000000 ] - [ 0.0059452700000000, -0.0193847000000000, 0.0263559500000000 ] - [ -0.0007686100000000, 0.0037375400000000, -0.0005047800000000 ] - [ 0.0002201600000000, -0.0000191000000000, -0.0006495800000000 ] - [ -0.0001805800000000, -0.0001032700000000, 0.0003737900000000 ] - [ 0.0006821500000000, 0.0001536400000000, 0.0000337900000000 ] - [ 0.0004584300000000, 0.0002985400000000, 0.0001804600000000 ] - [ -0.0004419100000000, -0.0000978400000000, 0.0000125800000000 ] - [ -0.0007452000000000, -0.0000172600000000, 0.0001016400000000 ] - [ 0.0001533100000000, 0.0000152500000000, 0.0007462100000000 ] - [ -0.0002144300000000, 0.0000307000000000, -0.0003336200000000 ] - [ -0.0001800000000000, 0.0004500000000000, -0.0002581700000000 ] - [ -0.0000819500000000, -0.0007695300000000, -0.0000112200000000 ] - [ 0.0000728600000000, -0.0007917400000000, 0.0000081400000000 ] - [ 0.0001719400000000, 0.0004301900000000, 0.0002481700000000 ] - [ 0.0002381300000000, 0.0001661200000000, 0.0004449600000000 ] - [ -0.0000424200000000, 0.0001281300000000, -0.0006730000000000 ] - [ 0.0006774300000000, -0.0000424600000000, -0.0001287900000000 ] - [ 0.0005461600000000, -0.0002208100000000, 0.0000042200000000 ] - [ -0.0004307700000000, 0.0002791400000000, -0.0002886300000000 ] - [ -0.0004414200000000, 0.0001803100000000, -0.0001368800000000 ] - [ 0.0000173000000000, -0.0000833900000000, -0.0008011600000000 ] - [ -0.0002562500000000, -0.0002265000000000, 0.0004568400000000 ] - [ -0.0001800900000000, -0.0005238900000000, 0.0002667700000000 ] - [ -0.0001077000000000, 0.0007353800000000, -0.0000323300000000 ] - [ -0.0049294200000000, 0.0174711600000000, -0.0154762900000000 ] - [ -0.0000328600000000, 0.0000947900000000, 0.0005280800000000 ] - [ 0.0002877900000000, -0.0007410500000000, 0.0007709900000000 ] - [ -0.0003154800000000, -0.0005847900000000, -0.0008311300000000 ] - [ -0.0002325100000000, -0.0006777500000000, 0.0002531300000000 ] - [ 0.0000229800000000, -0.0000340900000000, 0.0001011000000000 ] - [ 0.0004923500000000, -0.0013008000000000, 0.0004074200000000 ] - [ -0.0000055300000000, -0.0000653600000000, 0.0000130600000000 ] - [ 0.0024984400000000, -0.0064009100000000, -0.0055401600000000 ] - [ 0.0002030200000000, -0.0007379700000000, -0.0001173900000000 ] - [ 0.0002547900000000, -0.0001351400000000, -0.0002592000000000 ] - [ -0.0009469100000000, 0.0004025300000000, 0.0006455200000000 ] - [ 0.0000133900000000, 0.0003671200000000, 0.0000660900000000 ] - [ -0.0030892100000000, -0.0009833200000000, 0.0008124200000000 ] - [ 0.0011236700000000, 0.0013520300000000, 0.0017910100000000 ] - [ -0.0007446700000000, -0.0010282900000000, -0.0002698500000000 ] - [ 0.0002896300000000, -0.0004200500000000, -0.0004683000000000 ] - [ 0.0004588800000000, -0.0000614800000000, 0.0002073200000000 ] - [ 0.0006199600000000, -0.0000174400000000, 0.0005937500000000 ] - [ -0.0006212200000000, -0.0002976000000000, 0.0008520000000000 ] - [ -0.0003593500000000, 0.0002737800000000, 0.0004460000000000 ] - [ 0.0000276000000000, 0.0001310800000000, 0.0004073300000000 ] - [ 0.0004099600000000, 0.0001877000000000, 0.0001071400000000 ] - [ -0.0002568500000000, -0.0005166400000000, 0.0001969400000000 ] - [ 0.0002316900000000, 0.0000864200000000, -0.0000591800000000 ] - [ -0.0001738500000000, 0.0002311000000000, -0.0016236800000000 ] - [ 0.0012981400000000, -0.0003153700000000, 0.0003766000000000 ] - [ -0.0010518000000000, -0.0004352400000000, -0.0003938600000000 ] - [ -0.0001845800000000, 0.0008026200000000, -0.0008072400000000 ] - [ -0.0001501300000000, 0.0004430900000000, -0.0002464100000000 ] - [ -0.0002706700000000, 0.0001571100000000, -0.0006134100000000 ] - [ -0.0005695400000000, 0.0003035900000000, -0.0002001000000000 ] - [ -0.0000656400000000, -0.0000859200000000, -0.0001654300000000 ] - [ 0.0004622000000000, 0.0003605500000000, 0.0000186200000000 ] - [ 0.0001067400000000, -0.0001965000000000, -0.0000605700000000 ] - [ -0.0001602700000000, 0.0003431000000000, 0.0000113600000000 ] - [ 0.0002029100000000, -0.0003076200000000, 0.0007102400000000 ] - [ -0.0006302300000000, 0.0006450900000000, -0.0000304500000000 ] - [ 0.0006822200000000, 0.0006981000000000, 0.0000456500000000 ] - [ 0.0000648500000000, -0.0003364500000000, -0.0003836800000000 ] - [ 0.0002547800000000, 0.0004270200000000, 0.0000521700000000 ] - [ 0.0000125900000000, -0.0000541300000000, -0.0000275900000000 ] - [ -0.0004284900000000, 0.0004088400000000, 0.0001046100000000 ] - [ 0.0000184900000000, 0.0000244500000000, 0.0000895900000000 ] - [ 0.0004239900000000, 0.0000269900000000, 0.0003261400000000 ] - [ 0.0003143700000000, 0.0002740700000000, 0.0005062200000000 ] - [ 0.0001660500000000, 0.0003824500000000, 0.0003234800000000 ] - [ 0.0000980000000000, 0.0005763500000000, 0.0005907700000000 ] - [ 0.0002345700000000, -0.0000424000000000, 0.0001864400000000 ] - [ -0.0005480500000000, -0.0001580500000000, -0.0002391400000000 ] - [ 0.0000309900000000, -0.0003727000000000, 0.0001808100000000 ] - [ -0.0002186100000000, 0.0002677600000000, 0.0002923300000000 ] - [ 0.0003794500000000, -0.0005231300000000, -0.0005192600000000 ] - [ -0.0004658000000000, 0.0003276500000000, 0.0001524600000000 ] - [ 0.0001118200000000, 0.0000874000000000, 0.0001898400000000 ] - [ 0.0004892400000000, -0.0003007600000000, -0.0001029500000000 ] - [ 0.0002964900000000, -0.0002418300000000, -0.0007129900000000 ] - [ -0.0005624400000000, 0.0000763000000000, -0.0005000900000000 ] - [ -0.0001632500000000, 0.0004642100000000, -0.0004957800000000 ] - [ 0.0000618100000000, -0.0003253400000000, 0.0000578200000000 ] - [ 0.0004881700000000, 0.0000131700000000, -0.0001349700000000 ] - [ -0.0002433100000000, 0.0004698000000000, -0.0000728500000000 ] - [ 0.0001768500000000, -0.0002658400000000, 0.0000930100000000 ] - [ -0.0001678000000000, 0.0006618200000000, 0.0001234800000000 ] - [ 0.0006320700000000, -0.0002168300000000, -0.0004201400000000 ] - [ -0.0002370700000000, 0.0001098800000000, 0.0006772300000000 ] - [ -0.0000703000000000, -0.0006099500000000, 0.0006613500000000 ] - [ -0.0000124000000000, -0.0004606600000000, 0.0004628100000000 ] - [ -0.0004927000000000, -0.0004095000000000, 0.0007763300000000 ] - [ -0.0003688900000000, -0.0001265900000000, 0.0005789200000000 ] - [ -0.0013323600000000, -0.0019504100000000, 0.0012498500000000 ] - [ -0.0008154300000000, -0.0010970800000000, -0.0014827000000000 ] - [ 0.0002776000000000, 0.0004075500000000, 0.0008441700000000 ] - [ -0.0003379700000000, -0.0010870700000000, -0.0002519600000000 ] - [ 0.0002553400000000, 0.0014608400000000, 0.0010746500000000 ] - [ -0.0006261800000000, -0.0005695400000000, 0.0000478400000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001671600000000, -0.0001967200000000, -0.0032759600000000 ] - [ -0.0005137300000000, 0.0001458000000000, -0.0002784300000000 ] - [ -0.0002493700000000, -0.0002558300000000, 0.0001226400000000 ] - [ -0.0001829300000000, 0.0001292700000000, 0.0005438500000000 ] - [ -0.0000813200000000, 0.0002666300000000, -0.0002443400000000 ] - [ 0.0006773900000000, 0.0011788900000000, 0.0028396900000000 ] - [ -0.0004652800000000, 0.0000979800000000, -0.0000715500000000 ] - [ -0.0003344900000000, -0.0002678800000000, 0.0003852400000000 ] - [ -0.0005929700000000, -0.0003263700000000, -0.0000088300000000 ] - [ 0.0010937200000000, 0.0009868200000000, 0.0001835900000000 ] - [ 0.0003988800000000, -0.0000939900000000, -0.0006200500000000 ] - [ -0.0000838200000000, 0.0004544400000000, -0.0001165500000000 ] - [ 0.0010083700000000, 0.0003073400000000, 0.0003439100000000 ] - [ -0.0002290800000000, 0.0000135100000000, 0.0005102300000000 ] - [ 0.0002696700000000, 0.0002258600000000, -0.0003550000000000 ] - [ 0.0006641400000000, -0.0003164200000000, -0.0001091100000000 ] - [ 0.0002312800000000, -0.0005977600000000, -0.0001630800000000 ] - [ 0.0009499000000000, 0.0000639100000000, -0.0003353600000000 ] - [ -0.0003000500000000, 0.0001034200000000, -0.0002134000000000 ] - [ 0.0002072700000000, 0.0004453400000000, -0.0003112300000000 ] - [ 0.0000221000000000, -0.0003287900000000, 0.0003587600000000 ] - [ 0.0001182700000000, -0.0001662200000000, -0.0007023900000000 ] - [ -0.0001491100000000, 0.0007867700000000, 0.0042799100000000 ] - [ -0.0003131100000000, -0.0003440000000000, 0.0000182400000000 ] - [ 0.0001480400000000, -0.0002791800000000, -0.0001498700000000 ] - [ -0.0053830200000000, 0.0046576100000000, -0.0017478800000000 ] - [ -0.0017597300000000, -0.0016132400000000, 0.0008158600000000 ] - [ -0.0007932500000000, -0.0001767000000000, -0.0004826900000000 ] - [ -0.0004279800000000, 0.0002499900000000, 0.0005890000000000 ] - [ 0.0015710600000000, -0.0003988400000000, -0.0003042500000000 ] - [ 0.0005544700000000, 0.0007804300000000, -0.0001840400000000 ] - [ 0.0006022000000000, 0.0002396700000000, -0.0007082800000000 ] - [ 0.0016993900000000, -0.0005316600000000, -0.0002363800000000 ] - [ -0.0004345900000000, 0.0004856500000000, 0.0002210500000000 ] - [ 0.0001829700000000, 0.0004467700000000, 0.0001231000000000 ] - [ -0.0003651100000000, -0.0007261400000000, -0.0004911900000000 ] - [ 0.0004576900000000, 0.0037151500000000, -0.0007836300000000 ] - [ -0.0008004800000000, 0.0001593400000000, 0.0010207200000000 ] - [ -0.0010157300000000, 0.0004121300000000, -0.0004545300000000 ] - [ -0.0006444900000000, -0.0001517200000000, -0.0000417400000000 ] - [ 0.0131472600000000, -0.0153074200000000, -0.0098666200000000 ] - [ 0.0008309600000000, 0.0011918600000000, -0.0000558600000000 ] - [ -0.0001466600000000, -0.0003209600000000, 0.0005509700000000 ] - [ 0.0008278200000000, -0.0006966500000000, -0.0001709000000000 ] - [ 0.0007857800000000, 0.0002298300000000, 0.0005085100000000 ] - [ 0.0008380600000000, 0.0000620800000000, -0.0007720900000000 ] - [ 0.0020376100000000, -0.0000465900000000, 0.0007190500000000 ] - [ 0.0003117400000000, 0.0004087300000000, -0.0001141200000000 ] - [ 0.0008606200000000, -0.0000087700000000, -0.0009596000000000 ] - [ 0.0007780800000000, 0.0005488700000000, 0.0002086800000000 ] - [ -0.0000905700000000, -0.0030379600000000, -0.0004327400000000 ] - [ -0.0002835500000000, 0.0005230000000000, -0.0005939600000000 ] - [ -0.0134228300000000, -0.0074830500000000, 0.0009237500000000 ] - [ -0.2151543000000000, -0.1495167900000000, 0.0215083200000000 ] - [ 0.0001738000000000, -0.0000168000000000, -0.0005633800000000 ] - [ -0.0001727300000000, -0.0001520800000000, 0.0004266500000000 ] - [ 0.0002424300000000, 0.0001375600000000, -0.0000363700000000 ] - [ 0.0001765700000000, 0.0002359000000000, 0.0002678900000000 ] - [ -0.0007324700000000, -0.0000075800000000, -0.0007183500000000 ] - [ -0.0006985700000000, 0.0000599800000000, 0.0001504100000000 ] - [ 0.0001561500000000, 0.0000555200000000, 0.0005722800000000 ] - [ 0.0000001300000000, -0.0007178500000000, -0.0008828100000000 ] - [ -0.0001736800000000, 0.0004694100000000, -0.0002702700000000 ] - [ -0.0000712800000000, -0.0007601100000000, -0.0000122500000000 ] - [ 0.0001700800000000, -0.0007467400000000, 0.0000047500000000 ] - [ 0.0003198600000000, 0.0003625500000000, 0.0002555900000000 ] - [ 0.0003065200000000, 0.0002199700000000, 0.0004341300000000 ] - [ 0.0001220300000000, 0.0000872400000000, -0.0007610500000000 ] - [ 0.0008943000000000, -0.0000011300000000, -0.0000805900000000 ] - [ 0.0006067500000000, -0.0001859200000000, -0.0000168600000000 ] - [ -0.0004097100000000, 0.0002523000000000, -0.0002194900000000 ] - [ -0.0004177800000000, 0.0001507400000000, -0.0001785800000000 ] - [ -0.0000131900000000, -0.0000425100000000, -0.0008908700000000 ] - [ -0.0002080300000000, -0.0002688200000000, 0.0002824300000000 ] - [ -0.0001841900000000, -0.0003723000000000, 0.0002891900000000 ] - [ -0.0001123200000000, 0.0007736900000000, 0.0000124900000000 ] - [ 0.2278408300000000, 0.1661473200000000, -0.0277535300000000 ] - [ 0.0015502200000000, 0.0012700300000000, -0.0003947200000000 ] - [ 0.0007017400000000, -0.0004066400000000, -0.0000045500000000 ] - [ 0.0007296800000000, 0.0018523400000000, 0.0005571700000000 ] - [ 0.0010866400000000, -0.0002822100000000, 0.0007317000000000 ] - [ 0.0002279700000000, -0.0000334200000000, 0.0001137000000000 ] - [ 0.0005925500000000, -0.0010820700000000, 0.0003071600000000 ] - [ 0.0007414700000000, -0.0002602100000000, -0.0003892700000000 ] - [ 0.0036992900000000, -0.0050120800000000, 0.0012656200000000 ] - [ 0.0002854800000000, -0.0006673500000000, -0.0003146500000000 ] - [ 0.0005935500000000, -0.0000321300000000, -0.0001997100000000 ] - [ 0.0000704100000000, 0.0001933500000000, 0.0003750500000000 ] - [ 0.0001722000000000, 0.0003043200000000, 0.0000119800000000 ] - [ 0.0012577100000000, 0.0031114500000000, 0.0017751500000000 ] - [ 0.0011446400000000, 0.0009216000000000, -0.0000145700000000 ] - [ -0.0095105200000000, -0.0023762100000000, 0.0091285900000000 ] - [ 0.0004852800000000, -0.0006980100000000, -0.0005367700000000 ] - [ 0.0002218500000000, -0.0019130700000000, 0.0006556800000000 ] - [ 0.0008816000000000, -0.0002301900000000, 0.0003479600000000 ] - [ -0.0001039000000000, -0.0002793200000000, 0.0012674400000000 ] - [ -0.0002761400000000, -0.0001040400000000, 0.0001355800000000 ] - [ -0.0000345700000000, 0.0001752100000000, -0.0000111400000000 ] - [ 0.0005392900000000, 0.0000312000000000, 0.0001125300000000 ] - [ -0.0003491700000000, -0.0010430800000000, 0.0006769700000000 ] - [ 0.0003330400000000, 0.0001226000000000, -0.0001397900000000 ] - [ -0.0016502700000000, 0.0028574800000000, -0.0013325000000000 ] - [ 0.0008112100000000, 0.0001136600000000, 0.0001264900000000 ] - [ -0.0042033700000000, 0.0016035900000000, 0.0028694200000000 ] - [ -0.0003218300000000, 0.0012311900000000, -0.0002862800000000 ] - [ -0.0001125600000000, 0.0004821200000000, -0.0002119000000000 ] - [ -0.0006376400000000, -0.0000924600000000, -0.0006864600000000 ] - [ -0.0007489000000000, 0.0006567200000000, 0.0000872000000000 ] - [ -0.0010751000000000, -0.0005379200000000, -0.0007639100000000 ] - [ 0.0002624600000000, 0.0002218000000000, -0.0001475600000000 ] - [ -0.0001475500000000, -0.0002820000000000, 0.0001267400000000 ] - [ -0.0003404300000000, 0.0004416300000000, 0.0000115600000000 ] - [ 0.0000435800000000, -0.0003200900000000, 0.0007411200000000 ] - [ -0.0006710500000000, 0.0006154400000000, -0.0000130200000000 ] - [ 0.0004322200000000, 0.0007239000000000, -0.0000058700000000 ] - [ -0.0001816100000000, -0.0003233600000000, -0.0006052500000000 ] - [ -0.0002195100000000, 0.0002935400000000, 0.0003898400000000 ] - [ -0.0004070600000000, -0.0000387300000000, 0.0000060700000000 ] - [ -0.0006939500000000, 0.0003933200000000, 0.0001531900000000 ] - [ -0.0002148200000000, 0.0000824500000000, 0.0000771900000000 ] - [ -0.0000273300000000, -0.0001731600000000, 0.0003523900000000 ] - [ -0.0013046300000000, 0.0002992200000000, 0.0000932100000000 ] - [ -0.0006993200000000, 0.0005926100000000, 0.0001622800000000 ] - [ -0.0002739300000000, 0.0006179000000000, 0.0006256300000000 ] - [ -0.0001895400000000, -0.0000968100000000, 0.0003495200000000 ] - [ -0.0009203400000000, -0.0002391900000000, -0.0002259900000000 ] - [ -0.0001892400000000, -0.0005280700000000, 0.0000532600000000 ] - [ -0.0004735100000000, 0.0002648300000000, 0.0004459600000000 ] - [ -0.0004683300000000, -0.0005600600000000, -0.0003340900000000 ] - [ -0.0007257200000000, 0.0000903600000000, 0.0001733200000000 ] - [ 0.0000035000000000, 0.0001162700000000, 0.0002116000000000 ] - [ 0.0003757200000000, -0.0002768700000000, -0.0001761200000000 ] - [ 0.0002414500000000, -0.0002251500000000, -0.0006551900000000 ] - [ -0.0008157800000000, 0.0000458600000000, -0.0006523100000000 ] - [ -0.0013531900000000, 0.0003005700000000, -0.0004884800000000 ] - [ -0.0015034200000000, -0.0003855600000000, -0.0001640400000000 ] - [ 0.0001522200000000, -0.0004537600000000, -0.0001165100000000 ] - [ -0.0003238400000000, 0.0004095900000000, -0.0001220800000000 ] - [ -0.0000343300000000, -0.0001677400000000, 0.0000396200000000 ] - [ -0.0005907600000000, 0.0003472900000000, 0.0008405800000000 ] - [ 0.0002556300000000, 0.0007860200000000, -0.0000896700000000 ] - [ -0.0002211500000000, 0.0000542100000000, 0.0006412300000000 ] - [ -0.0001177200000000, -0.0005831100000000, 0.0009083600000000 ] - [ 0.0001095000000000, -0.0004977700000000, 0.0002708300000000 ] - [ -0.0005116100000000, -0.0003486700000000, 0.0007579100000000 ] - [ -0.0000972400000000, 0.0000599600000000, 0.0006929000000000 ] - [ -0.0003246600000000, -0.0011309800000000, 0.0007365700000000 ] - [ 0.0000333400000000, -0.0009127800000000, -0.0003823000000000 ] - [ 0.0002772800000000, 0.0001078800000000, -0.0000035300000000 ] - [ -0.0003363600000000, -0.0001759000000000, -0.0000986700000000 ] - [ 0.0005898800000000, -0.0000838200000000, -0.0015832100000000 ] - [ -0.0005405500000000, -0.0007452900000000, 0.0000129900000000 ]- atom: 54 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003135100000000, -0.0006445500000000, 0.0030524500000000 ] - [ -0.0000876900000000, -0.0000467400000000, -0.0007180600000000 ] - [ 0.0000946900000000, -0.0002150800000000, 0.0007032800000000 ] - [ 0.0011705800000000, 0.0004682500000000, -0.0004459300000000 ] - [ 0.0001704300000000, 0.0007290400000000, 0.0008341000000000 ] - [ 0.0001464800000000, -0.0010174900000000, -0.0023182100000000 ] - [ -0.0003631500000000, -0.0002470400000000, 0.0005363400000000 ] - [ 0.0002386700000000, -0.0007273200000000, 0.0002163500000000 ] - [ -0.0004095600000000, -0.0002705300000000, 0.0000968000000000 ] - [ -0.0009193500000000, -0.0005030400000000, 0.0006412000000000 ] - [ 0.0001991200000000, 0.0000006500000000, -0.0003834800000000 ] - [ -0.0003820500000000, 0.0003746400000000, -0.0000376700000000 ] - [ -0.0005243200000000, 0.0005184100000000, -0.0001860200000000 ] - [ -0.0003667100000000, -0.0001031500000000, 0.0004899200000000 ] - [ -0.0004140300000000, 0.0002452300000000, -0.0004732700000000 ] - [ 0.0003391500000000, -0.0002809900000000, 0.0000182600000000 ] - [ -0.0001366400000000, -0.0004054900000000, -0.0004327000000000 ] - [ -0.0001043600000000, -0.0002078300000000, -0.0001419600000000 ] - [ -0.0005262200000000, 0.0000508600000000, -0.0002574800000000 ] - [ -0.0002957100000000, 0.0005570400000000, -0.0002865700000000 ] - [ -0.0010253100000000, 0.0009204500000000, -0.0004464200000000 ] - [ 0.0000353100000000, -0.0003011400000000, -0.0001341500000000 ] - [ 0.0007476100000000, -0.0007110500000000, -0.0032241200000000 ] - [ -0.0001584900000000, -0.0004812500000000, 0.0001332700000000 ] - [ 0.0002742800000000, -0.0008173500000000, 0.0007825100000000 ] - [ 0.0059157800000000, -0.0050004500000000, 0.0028087700000000 ] - [ 0.0028108400000000, 0.0022344700000000, -0.0012251100000000 ] - [ -0.0003181800000000, -0.0004547500000000, 0.0000514800000000 ] - [ -0.0002122300000000, 0.0001725800000000, 0.0005178600000000 ] - [ -0.0019606800000000, 0.0014851500000000, 0.0009317900000000 ] - [ -0.0001231500000000, 0.0003330200000000, -0.0004499700000000 ] - [ 0.0000392100000000, 0.0001858400000000, -0.0004016000000000 ] - [ -0.0005770900000000, -0.0001260400000000, 0.0006540000000000 ] - [ -0.0006715800000000, 0.0001555800000000, 0.0002025000000000 ] - [ -0.0008133300000000, -0.0008460100000000, -0.0012103700000000 ] - [ -0.0000574800000000, -0.0003853000000000, -0.0001531200000000 ] - [ -0.0011337100000000, -0.0029787900000000, 0.0014395800000000 ] - [ 0.0013264500000000, 0.0003853200000000, -0.0004575400000000 ] - [ 0.0000942300000000, 0.0004854200000000, -0.0004695900000000 ] - [ 0.0001353200000000, -0.0003458100000000, 0.0005395200000000 ] - [ -0.0123892500000000, 0.0154392600000000, 0.0101430000000000 ] - [ 0.0000930800000000, -0.0020614000000000, -0.0008480800000000 ] - [ -0.0003984800000000, -0.0002234900000000, -0.0000008600000000 ] - [ -0.0001516800000000, 0.0000238500000000, 0.0008306300000000 ] - [ -0.0014325500000000, -0.0008869900000000, -0.0011596600000000 ] - [ -0.0002804100000000, -0.0006060700000000, 0.0002163100000000 ] - [ -0.0028797400000000, -0.0008734800000000, 0.0002157100000000 ] - [ -0.0008056000000000, 0.0001035100000000, -0.0003882000000000 ] - [ -0.0003455000000000, -0.0004893700000000, 0.0004433700000000 ] - [ 0.0001381300000000, 0.0003655700000000, 0.0006966300000000 ] - [ -0.0004559600000000, 0.0035635500000000, -0.0000686500000000 ] - [ 0.0009335800000000, 0.0001507400000000, -0.0000914300000000 ] - [ 0.0137525700000000, 0.0094301300000000, -0.0009524600000000 ] - [ 0.2258386200000000, 0.1614644200000000, -0.0242357900000000 ] - [ 0.0002911500000000, -0.0002698200000000, -0.0003523000000000 ] - [ 0.0001251700000000, -0.0000415600000000, 0.0010211600000000 ] - [ 0.0012050900000000, -0.0000932200000000, 0.0002254800000000 ] - [ 0.0007314100000000, 0.0002310800000000, 0.0000252600000000 ] - [ -0.0001852300000000, -0.0004556400000000, 0.0009922900000000 ] - [ -0.0007524700000000, -0.0001032800000000, 0.0000443100000000 ] - [ -0.0001094900000000, 0.0001378900000000, 0.0008769900000000 ] - [ -0.0004625600000000, 0.0009933100000000, -0.0000374300000000 ] - [ -0.0001167400000000, 0.0004440500000000, -0.0001966000000000 ] - [ -0.0001217400000000, -0.0006927500000000, 0.0000561600000000 ] - [ 0.0000245200000000, -0.0007077700000000, -0.0000484600000000 ] - [ -0.0000258400000000, 0.0005485200000000, 0.0002108600000000 ] - [ 0.0001608400000000, 0.0000713300000000, 0.0004785900000000 ] - [ -0.0001643500000000, 0.0001059000000000, -0.0006925700000000 ] - [ 0.0005616400000000, -0.0000428900000000, -0.0001121300000000 ] - [ 0.0003092900000000, -0.0002784600000000, -0.0002702500000000 ] - [ -0.0005022700000000, 0.0002142600000000, -0.0000719200000000 ] - [ -0.0010276200000000, -0.0001020800000000, -0.0000167400000000 ] - [ 0.0000570300000000, -0.0001503100000000, -0.0005651500000000 ] - [ -0.0002584200000000, -0.0000262400000000, 0.0006272900000000 ] - [ -0.0001073600000000, -0.0005379100000000, 0.0001783800000000 ] - [ -0.0000815800000000, 0.0006809500000000, -0.0000571700000000 ] - [ -0.2369754300000000, -0.1803504600000000, 0.0297780200000000 ] - [ -0.0017366300000000, -0.0006911000000000, 0.0014545900000000 ] - [ -0.0001120600000000, -0.0006759600000000, 0.0002091200000000 ] - [ -0.0010206100000000, -0.0015324000000000, -0.0008498000000000 ] - [ -0.0018289900000000, -0.0004929500000000, -0.0004818900000000 ] - [ -0.0001637100000000, 0.0000919700000000, -0.0001676300000000 ] - [ 0.0001860900000000, 0.0008288600000000, -0.0010626200000000 ] - [ -0.0001786400000000, -0.0002494000000000, -0.0006376000000000 ] - [ -0.0034611500000000, 0.0042082900000000, -0.0020364000000000 ] - [ -0.0001054900000000, -0.0006115600000000, -0.0009200800000000 ] - [ -0.0002197000000000, 0.0000741900000000, -0.0005447400000000 ] - [ -0.0011461700000000, 0.0000224300000000, 0.0002130100000000 ] - [ -0.0001304200000000, 0.0004343100000000, -0.0003835500000000 ] - [ -0.0015915600000000, -0.0034212700000000, -0.0021248200000000 ] - [ -0.0006159100000000, 0.0001295000000000, 0.0005882800000000 ] - [ 0.0084863500000000, 0.0018077800000000, -0.0088941600000000 ] - [ -0.0001647300000000, 0.0003693700000000, 0.0002142300000000 ] - [ 0.0008036300000000, 0.0024199500000000, -0.0001359400000000 ] - [ 0.0003625700000000, 0.0004003400000000, 0.0009219100000000 ] - [ -0.0011294500000000, 0.0001037800000000, 0.0000212200000000 ] - [ -0.0007558600000000, -0.0004460400000000, 0.0003733200000000 ] - [ -0.0002767100000000, 0.0001410400000000, -0.0002968500000000 ] - [ 0.0002066800000000, 0.0003388000000000, -0.0001517700000000 ] - [ -0.0001602200000000, -0.0000110400000000, -0.0001045900000000 ] - [ 0.0000459500000000, 0.0002510900000000, -0.0002362000000000 ] - [ 0.0015824100000000, -0.0035315900000000, 0.0009310400000000 ] - [ 0.0002839900000000, -0.0003304800000000, 0.0004591600000000 ] - [ 0.0037609100000000, -0.0016080100000000, -0.0035554400000000 ] - [ 0.0001414300000000, 0.0000514600000000, -0.0009478200000000 ] - [ -0.0001101300000000, 0.0002885300000000, -0.0005625000000000 ] - [ 0.0000678100000000, 0.0005932100000000, -0.0003548300000000 ] - [ -0.0000295100000000, -0.0004184400000000, -0.0008460800000000 ] - [ 0.0009947500000000, 0.0004698900000000, 0.0006889600000000 ] - [ 0.0005033100000000, 0.0005505600000000, 0.0003679200000000 ] - [ 0.0004336300000000, -0.0000113200000000, -0.0004133000000000 ] - [ -0.0002458000000000, 0.0006420100000000, 0.0001975200000000 ] - [ 0.0001672800000000, -0.0002656800000000, 0.0003524100000000 ] - [ -0.0006050700000000, 0.0006241900000000, -0.0001611000000000 ] - [ 0.0008396100000000, 0.0005197300000000, 0.0001792800000000 ] - [ -0.0000357300000000, -0.0002666600000000, -0.0004865300000000 ] - [ 0.0007942000000000, 0.0007908900000000, -0.0005889500000000 ] - [ 0.0001106700000000, -0.0002519000000000, 0.0002837100000000 ] - [ -0.0000824900000000, 0.0003843800000000, -0.0003696700000000 ] - [ 0.0002702100000000, -0.0001406400000000, -0.0000173500000000 ] - [ 0.0007966300000000, 0.0003939100000000, 0.0004146500000000 ] - [ 0.0018300500000000, 0.0002145200000000, 0.0009297200000000 ] - [ 0.0009080000000000, 0.0001832100000000, 0.0006125100000000 ] - [ 0.0004443700000000, 0.0006593800000000, 0.0006151800000000 ] - [ 0.0005561600000000, 0.0000503600000000, 0.0003929400000000 ] - [ -0.0001713700000000, 0.0000284400000000, -0.0003559900000000 ] - [ 0.0002301700000000, -0.0002199700000000, 0.0003156500000000 ] - [ 0.0000917700000000, 0.0001139400000000, -0.0000638000000000 ] - [ 0.0009539800000000, -0.0004762700000000, -0.0002306200000000 ] - [ -0.0000219600000000, 0.0002843300000000, -0.0001297200000000 ] - [ 0.0003089100000000, 0.0001972500000000, 0.0001043800000000 ] - [ 0.0006661100000000, -0.0002884700000000, -0.0003276400000000 ] - [ 0.0009913900000000, 0.0000429000000000, -0.0006204700000000 ] - [ -0.0004283500000000, 0.0001282900000000, -0.0006255100000000 ] - [ 0.0002878300000000, 0.0002576300000000, -0.0000338600000000 ] - [ 0.0011697600000000, 0.0000803700000000, 0.0004677700000000 ] - [ 0.0005857400000000, 0.0000710200000000, 0.0001576300000000 ] - [ -0.0001869400000000, 0.0006229200000000, -0.0004336700000000 ] - [ 0.0004083800000000, -0.0002115600000000, 0.0003346800000000 ] - [ 0.0005415500000000, 0.0003983500000000, -0.0004503800000000 ] - [ 0.0008363000000000, -0.0005606600000000, -0.0005041400000000 ] - [ -0.0001491100000000, -0.0000069700000000, 0.0001097700000000 ] - [ -0.0000586400000000, -0.0006892300000000, 0.0003381400000000 ] - [ -0.0003316300000000, -0.0002733300000000, 0.0005040700000000 ] - [ -0.0000492700000000, -0.0001664500000000, 0.0002791700000000 ] - [ -0.0006682400000000, -0.0002841900000000, 0.0000831800000000 ] - [ 0.0002651400000000, 0.0011568000000000, -0.0006583900000000 ] - [ 0.0007296400000000, 0.0001234000000000, 0.0001494900000000 ] - [ 0.0000158400000000, 0.0001810600000000, 0.0002908500000000 ] - [ -0.0002459600000000, -0.0009101800000000, -0.0001155200000000 ] - [ -0.0003694400000000, 0.0006597800000000, 0.0004718600000000 ] - [ -0.0007340900000000, -0.0005005800000000, 0.0001633500000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003535100000000, -0.0015676400000000, -0.0023264300000000 ] - [ -0.0004164000000000, 0.0007028500000000, -0.0004804000000000 ] - [ -0.0000229600000000, -0.0002976900000000, 0.0006427700000000 ] - [ 0.0000916000000000, 0.0006608500000000, 0.0004038400000000 ] - [ -0.0000619400000000, 0.0003497400000000, 0.0002289700000000 ] - [ 0.0013787800000000, 0.0001769200000000, 0.0018801300000000 ] - [ -0.0003666300000000, 0.0000129500000000, 0.0000278200000000 ] - [ -0.0001769500000000, -0.0001932200000000, 0.0003532700000000 ] - [ -0.0005718700000000, -0.0002302000000000, -0.0000211000000000 ] - [ 0.0006450400000000, 0.0005908500000000, 0.0002819300000000 ] - [ 0.0003133500000000, -0.0001193800000000, -0.0005752500000000 ] - [ -0.0001582400000000, 0.0004815700000000, -0.0001132300000000 ] - [ 0.0005743800000000, 0.0002565000000000, 0.0001650200000000 ] - [ -0.0002674200000000, 0.0000396100000000, 0.0005005900000000 ] - [ 0.0001121700000000, 0.0003325800000000, -0.0003642900000000 ] - [ 0.0005223700000000, -0.0003426300000000, -0.0000445400000000 ] - [ 0.0001193300000000, -0.0006403400000000, -0.0001570500000000 ] - [ 0.0009371600000000, 0.0001917400000000, -0.0004397600000000 ] - [ -0.0003472600000000, 0.0001617500000000, -0.0002042100000000 ] - [ -0.0001345400000000, 0.0006638600000000, -0.0002702700000000 ] - [ -0.0009044600000000, -0.0000547500000000, -0.0001783100000000 ] - [ 0.0001357100000000, -0.0001250200000000, -0.0006263700000000 ] - [ 0.0005829900000000, -0.0007394400000000, 0.0032191400000000 ] - [ -0.0002732400000000, -0.0002678800000000, 0.0000450700000000 ] - [ 0.0004273600000000, 0.0003089900000000, 0.0004198000000000 ] - [ 0.0002196400000000, 0.0045872600000000, -0.0037682400000000 ] - [ -0.0017767100000000, 0.0004211300000000, -0.0005342200000000 ] - [ -0.0007118800000000, -0.0000235900000000, -0.0003249600000000 ] - [ -0.0003972900000000, 0.0001284600000000, 0.0006000800000000 ] - [ 0.0008115000000000, -0.0001740800000000, 0.0000926000000000 ] - [ 0.0003738800000000, 0.0007990500000000, -0.0001834600000000 ] - [ 0.0004084200000000, 0.0002972200000000, -0.0006634200000000 ] - [ 0.0008537700000000, -0.0014770900000000, -0.0000776000000000 ] - [ -0.0006329500000000, 0.0004544800000000, 0.0001518500000000 ] - [ 0.0000057200000000, 0.0006304000000000, -0.0000211000000000 ] - [ -0.0001748600000000, -0.0008943300000000, -0.0004327200000000 ] - [ 0.0004286100000000, 0.0029491700000000, -0.0004724600000000 ] - [ -0.0002545600000000, 0.0003984400000000, 0.0010999700000000 ] - [ -0.0006524400000000, -0.0004610400000000, -0.0012479100000000 ] - [ -0.0002223100000000, 0.0000518200000000, 0.0002923500000000 ] - [ 0.0000919300000000, -0.0135391700000000, -0.0030270500000000 ] - [ 0.0008936100000000, 0.0008431200000000, -0.0003613900000000 ] - [ -0.0003838300000000, 0.0000241700000000, 0.0003196500000000 ] - [ 0.0005424500000000, -0.0003658300000000, 0.0001775700000000 ] - [ 0.0001829000000000, -0.0001293400000000, 0.0000759100000000 ] - [ 0.0005127100000000, -0.0002301500000000, -0.0005365600000000 ] - [ 0.0020183400000000, -0.0005195900000000, 0.0011785600000000 ] - [ -0.0001325700000000, 0.0007947700000000, -0.0004054800000000 ] - [ 0.0005956300000000, -0.0003001300000000, -0.0007027400000000 ] - [ 0.0005039300000000, 0.0007271100000000, 0.0003978500000000 ] - [ -0.0036118600000000, 0.0024124800000000, 0.0021788400000000 ] - [ -0.0004263300000000, 0.0005260600000000, -0.0010555400000000 ] - [ 0.0271095100000000, 0.0274647500000000, -0.0040725200000000 ] - [ -0.1502641700000000, -0.1966157700000000, 0.0236915500000000 ] - [ 0.0001818400000000, 0.0000061500000000, -0.0005486100000000 ] - [ -0.0001124900000000, -0.0000900200000000, 0.0005374500000000 ] - [ 0.0007525200000000, -0.0000990400000000, -0.0000468700000000 ] - [ 0.0004051700000000, 0.0003650400000000, 0.0003168600000000 ] - [ -0.0006435500000000, -0.0001899000000000, -0.0002827300000000 ] - [ -0.0005835400000000, -0.0000228400000000, 0.0001674300000000 ] - [ 0.0000089200000000, 0.0000902400000000, 0.0007387500000000 ] - [ -0.0002064700000000, -0.0001334500000000, -0.0006432600000000 ] - [ -0.0001311200000000, 0.0004843100000000, -0.0002456300000000 ] - [ -0.0000962800000000, -0.0006883800000000, 0.0000161500000000 ] - [ 0.0001049400000000, -0.0008505400000000, 0.0000039600000000 ] - [ 0.0002372100000000, 0.0004081300000000, 0.0002269200000000 ] - [ 0.0002504000000000, 0.0001904200000000, 0.0004366500000000 ] - [ 0.0000036100000000, 0.0000945300000000, -0.0007557600000000 ] - [ 0.0008225400000000, -0.0000106100000000, -0.0000824900000000 ] - [ 0.0005484000000000, -0.0001551100000000, -0.0000374600000000 ] - [ -0.0004362100000000, 0.0002335300000000, -0.0001661700000000 ] - [ -0.0004673300000000, 0.0002165400000000, -0.0001944100000000 ] - [ 0.0000248400000000, -0.0001030000000000, -0.0007698300000000 ] - [ -0.0003716500000000, -0.0004225600000000, 0.0004051700000000 ] - [ -0.0002271300000000, -0.0003120300000000, 0.0002796900000000 ] - [ -0.0001304700000000, 0.0008357300000000, -0.0000896500000000 ] - [ 0.1334573900000000, 0.1656010300000000, -0.0224290000000000 ] - [ 0.0012350000000000, -0.0015168200000000, -0.0001823900000000 ] - [ 0.0004377500000000, -0.0004067200000000, -0.0001374600000000 ] - [ 0.0009590600000000, -0.0002651800000000, -0.0016868500000000 ] - [ 0.0004070900000000, -0.0002460300000000, 0.0012461100000000 ] - [ 0.0001304300000000, -0.0000799600000000, 0.0001712400000000 ] - [ 0.0005133000000000, -0.0013151500000000, 0.0002788000000000 ] - [ 0.0002841500000000, 0.0000384800000000, -0.0003254000000000 ] - [ -0.0003415600000000, -0.0029263200000000, 0.0004448400000000 ] - [ 0.0002062800000000, -0.0007465400000000, -0.0003934700000000 ] - [ 0.0001844100000000, -0.0002553900000000, -0.0004957800000000 ] - [ -0.0001709100000000, -0.0000263600000000, 0.0002017700000000 ] - [ 0.0000832200000000, 0.0001659100000000, -0.0001682300000000 ] - [ 0.0022622800000000, 0.0022503800000000, -0.0001889300000000 ] - [ 0.0009902200000000, 0.0011809700000000, 0.0012308600000000 ] - [ -0.0098400500000000, 0.0095608000000000, 0.0056274200000000 ] - [ 0.0002431600000000, -0.0006823400000000, -0.0003258300000000 ] - [ 0.0000287600000000, -0.0009577600000000, 0.0005378200000000 ] - [ 0.0004821100000000, -0.0002063500000000, 0.0003983900000000 ] - [ -0.0004981700000000, 0.0000438900000000, 0.0009707000000000 ] - [ -0.0004128800000000, 0.0002673100000000, 0.0001802300000000 ] - [ -0.0000228200000000, 0.0002552500000000, 0.0001440000000000 ] - [ 0.0003800900000000, 0.0001085300000000, 0.0000303700000000 ] - [ -0.0003313400000000, -0.0009321100000000, 0.0005857400000000 ] - [ 0.0001941900000000, 0.0000233900000000, -0.0001722200000000 ] - [ -0.0003786800000000, 0.0021507700000000, -0.0011863300000000 ] - [ 0.0008588100000000, -0.0002071700000000, 0.0002592100000000 ] - [ -0.0028056300000000, 0.0017320600000000, 0.0019930700000000 ] - [ -0.0000805300000000, 0.0007777900000000, -0.0005240300000000 ] - [ -0.0001262500000000, 0.0003328200000000, -0.0003185000000000 ] - [ -0.0005652100000000, -0.0000067400000000, -0.0006285600000000 ] - [ -0.0004709200000000, 0.0003632800000000, -0.0002394100000000 ] - [ -0.0006073500000000, -0.0001893700000000, -0.0003971700000000 ] - [ 0.0002637800000000, 0.0003510700000000, -0.0000737900000000 ] - [ -0.0000133600000000, -0.0001741200000000, 0.0000146200000000 ] - [ -0.0002918200000000, 0.0002654900000000, 0.0000012900000000 ] - [ 0.0001000800000000, -0.0002591800000000, 0.0006496500000000 ] - [ -0.0006611600000000, 0.0005577100000000, -0.0000601000000000 ] - [ 0.0005726800000000, 0.0007666400000000, 0.0000716300000000 ] - [ -0.0000969300000000, -0.0003844900000000, -0.0004975500000000 ] - [ -0.0000046000000000, 0.0005199100000000, 0.0001404200000000 ] - [ -0.0002590800000000, -0.0002020000000000, 0.0001358900000000 ] - [ -0.0005123100000000, 0.0003681000000000, -0.0000166800000000 ] - [ -0.0000697000000000, -0.0000569500000000, 0.0000353700000000 ] - [ 0.0002634500000000, -0.0000437500000000, 0.0003583600000000 ] - [ -0.0007065400000000, 0.0003341600000000, 0.0001781000000000 ] - [ -0.0001754700000000, 0.0006193600000000, 0.0002402800000000 ] - [ -0.0000252000000000, 0.0006653500000000, 0.0006512900000000 ] - [ 0.0000940100000000, -0.0002524400000000, 0.0003313300000000 ] - [ -0.0006526900000000, -0.0001086100000000, -0.0002517600000000 ] - [ -0.0000172000000000, -0.0005410300000000, 0.0001683200000000 ] - [ -0.0003402400000000, 0.0003220900000000, 0.0003556300000000 ] - [ -0.0004847400000000, -0.0002230900000000, -0.0002304100000000 ] - [ -0.0005504400000000, 0.0001943800000000, 0.0001717200000000 ] - [ 0.0001217900000000, 0.0000435200000000, 0.0001270800000000 ] - [ 0.0005130100000000, -0.0004443300000000, -0.0002199600000000 ] - [ 0.0003628500000000, -0.0003420500000000, -0.0006279100000000 ] - [ -0.0007337800000000, 0.0000660900000000, -0.0006860600000000 ] - [ -0.0013925600000000, 0.0001339000000000, -0.0006006100000000 ] - [ -0.0010723900000000, 0.0001987000000000, -0.0003608800000000 ] - [ 0.0002057500000000, -0.0006661100000000, -0.0000321200000000 ] - [ -0.0002593900000000, 0.0003766600000000, -0.0001686700000000 ] - [ 0.0003422200000000, -0.0004937600000000, 0.0002746200000000 ] - [ -0.0003366500000000, 0.0007205700000000, 0.0006328600000000 ] - [ 0.0016303900000000, 0.0006369000000000, -0.0004610300000000 ] - [ -0.0002403700000000, 0.0001155900000000, 0.0005150700000000 ] - [ 0.0000461700000000, -0.0004801400000000, 0.0006177700000000 ] - [ 0.0001561500000000, -0.0005010600000000, 0.0005175800000000 ] - [ -0.0003348500000000, -0.0004719100000000, 0.0005350300000000 ] - [ -0.0001338500000000, 0.0002359100000000, 0.0006945700000000 ] - [ -0.0002321800000000, -0.0010440200000000, 0.0006575600000000 ] - [ -0.0000254600000000, -0.0011027200000000, -0.0003385000000000 ] - [ 0.0001462700000000, -0.0000022000000000, -0.0000535200000000 ] - [ -0.0000090000000000, -0.0015297600000000, -0.0006733800000000 ] - [ 0.0003279300000000, -0.0001465500000000, -0.0013715800000000 ] - [ -0.0005367200000000, -0.0008877000000000, 0.0001448200000000 ]- atom: 54 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001229000000000, 0.0007421900000000, 0.0021211100000000 ] - [ -0.0001820700000000, -0.0006042800000000, -0.0005199200000000 ] - [ -0.0001297300000000, -0.0001728200000000, 0.0001891800000000 ] - [ 0.0009039100000000, -0.0000662000000000, -0.0003146800000000 ] - [ 0.0001517900000000, 0.0006482700000000, 0.0003656200000000 ] - [ -0.0005483800000000, -0.0000322900000000, -0.0013931500000000 ] - [ -0.0004627400000000, -0.0001638900000000, 0.0004421000000000 ] - [ 0.0000849000000000, -0.0008059500000000, 0.0002460300000000 ] - [ -0.0004295100000000, -0.0003664400000000, 0.0001106200000000 ] - [ -0.0004866800000000, -0.0001151000000000, 0.0005480600000000 ] - [ 0.0002840000000000, 0.0000270400000000, -0.0004272400000000 ] - [ -0.0003101000000000, 0.0003473100000000, -0.0000402200000000 ] - [ -0.0000979600000000, 0.0005720900000000, -0.0000096000000000 ] - [ -0.0003291500000000, -0.0001306900000000, 0.0004995400000000 ] - [ -0.0002604600000000, 0.0001388800000000, -0.0004654400000000 ] - [ 0.0004792100000000, -0.0002549500000000, -0.0000454000000000 ] - [ -0.0000257000000000, -0.0003614900000000, -0.0004389500000000 ] - [ -0.0000991400000000, -0.0003386100000000, -0.0000358200000000 ] - [ -0.0004806700000000, -0.0000076400000000, -0.0002668000000000 ] - [ 0.0000428600000000, 0.0003375100000000, -0.0003281300000000 ] - [ -0.0000976100000000, 0.0006434200000000, 0.0000889600000000 ] - [ 0.0000172800000000, -0.0003427000000000, -0.0002067400000000 ] - [ 0.0000086200000000, 0.0008458600000000, -0.0021717600000000 ] - [ -0.0001970500000000, -0.0005591600000000, 0.0001080300000000 ] - [ -0.0000037200000000, -0.0014096500000000, 0.0002193900000000 ] - [ 0.0004132700000000, -0.0049566400000000, 0.0048061300000000 ] - [ 0.0028724200000000, 0.0002138100000000, 0.0001259700000000 ] - [ -0.0003966500000000, -0.0006110600000000, -0.0001005300000000 ] - [ -0.0002411200000000, 0.0002943900000000, 0.0005059700000000 ] - [ -0.0012168600000000, 0.0012694500000000, 0.0005412900000000 ] - [ 0.0000530200000000, 0.0003099300000000, -0.0004530200000000 ] - [ 0.0002302100000000, 0.0001282800000000, -0.0004439500000000 ] - [ 0.0002583400000000, 0.0008273400000000, 0.0004978900000000 ] - [ -0.0004732100000000, 0.0001840800000000, 0.0002728300000000 ] - [ -0.0006404900000000, -0.0010365800000000, -0.0010756300000000 ] - [ -0.0002470100000000, -0.0002138400000000, -0.0002075200000000 ] - [ -0.0011323100000000, -0.0022419400000000, 0.0011427000000000 ] - [ 0.0007919500000000, 0.0001488700000000, -0.0005447900000000 ] - [ -0.0002646200000000, 0.0013634000000000, 0.0003270900000000 ] - [ -0.0002795400000000, -0.0005489300000000, 0.0002097200000000 ] - [ 0.0004003700000000, 0.0139186000000000, 0.0034963600000000 ] - [ 0.0000222500000000, -0.0017417900000000, -0.0005509600000000 ] - [ -0.0001611200000000, -0.0005710700000000, 0.0002277200000000 ] - [ 0.0001284300000000, -0.0003058300000000, 0.0004890700000000 ] - [ -0.0008437500000000, -0.0005370500000000, -0.0007409400000000 ] - [ 0.0000393800000000, -0.0003155700000000, -0.0000131500000000 ] - [ -0.0028910100000000, -0.0003933300000000, -0.0002616300000000 ] - [ -0.0003658100000000, -0.0002879100000000, -0.0000973400000000 ] - [ -0.0000872700000000, -0.0001991900000000, 0.0001936700000000 ] - [ 0.0004089000000000, 0.0001870500000000, 0.0005132400000000 ] - [ 0.0030259400000000, -0.0018629500000000, -0.0026860500000000 ] - [ 0.0010910100000000, 0.0001421300000000, 0.0003820800000000 ] - [ -0.0274215500000000, -0.0268320600000000, 0.0043174200000000 ] - [ 0.1606091500000000, 0.2001955700000000, -0.0257336700000000 ] - [ 0.0002837300000000, -0.0002928600000000, -0.0003665300000000 ] - [ 0.0000669600000000, -0.0001018700000000, 0.0009159100000000 ] - [ 0.0006988900000000, 0.0001441800000000, 0.0002387000000000 ] - [ 0.0005081500000000, 0.0001016900000000, -0.0000267900000000 ] - [ -0.0002744600000000, -0.0002734800000000, 0.0005631700000000 ] - [ -0.0008690500000000, -0.0000216400000000, 0.0000259700000000 ] - [ 0.0000366700000000, 0.0001018800000000, 0.0007143100000000 ] - [ -0.0002568000000000, 0.0004153300000000, -0.0002744600000000 ] - [ -0.0001571700000000, 0.0004305000000000, -0.0002206100000000 ] - [ -0.0000960400000000, -0.0007662800000000, 0.0000283300000000 ] - [ 0.0000880200000000, -0.0006050100000000, -0.0000483100000000 ] - [ 0.0000526500000000, 0.0005059100000000, 0.0002391200000000 ] - [ 0.0002158700000000, 0.0000981300000000, 0.0004779100000000 ] - [ -0.0000476000000000, 0.0000979100000000, -0.0006987500000000 ] - [ 0.0006335900000000, -0.0000334700000000, -0.0001094900000000 ] - [ 0.0003670700000000, -0.0003099500000000, -0.0002495800000000 ] - [ -0.0004777100000000, 0.0002327400000000, -0.0001223800000000 ] - [ -0.0009845100000000, -0.0001697000000000, 0.0000013600000000 ] - [ 0.0000199000000000, -0.0000896000000000, -0.0006849600000000 ] - [ -0.0000955000000000, 0.0001314300000000, 0.0005079900000000 ] - [ -0.0000622000000000, -0.0006007800000000, 0.0001869900000000 ] - [ -0.0000624700000000, 0.0006196400000000, 0.0000442900000000 ] - [ -0.1415250400000000, -0.1707316200000000, 0.0235549700000000 ] - [ -0.0014369900000000, 0.0020895300000000, 0.0012618600000000 ] - [ 0.0001550700000000, -0.0006812200000000, 0.0003537400000000 ] - [ -0.0012356500000000, 0.0005691800000000, 0.0013840000000000 ] - [ -0.0011652300000000, -0.0005306000000000, -0.0010194100000000 ] - [ -0.0000688700000000, 0.0001415900000000, -0.0002309500000000 ] - [ 0.0002692700000000, 0.0010804800000000, -0.0010440300000000 ] - [ 0.0002768400000000, -0.0005395000000000, -0.0007149800000000 ] - [ 0.0006133400000000, 0.0021661900000000, -0.0012302000000000 ] - [ -0.0000294300000000, -0.0005357200000000, -0.0008451000000000 ] - [ 0.0001878400000000, 0.0002959600000000, -0.0002511300000000 ] - [ -0.0009059600000000, 0.0002354500000000, 0.0003821900000000 ] - [ -0.0000394500000000, 0.0005789500000000, -0.0002018500000000 ] - [ -0.0026346400000000, -0.0026158500000000, -0.0001712900000000 ] - [ -0.0004701300000000, -0.0001447400000000, -0.0006665300000000 ] - [ 0.0088948500000000, -0.0097331400000000, -0.0055448500000000 ] - [ 0.0000688200000000, 0.0003675100000000, 0.0000136100000000 ] - [ 0.0010141300000000, 0.0015067900000000, -0.0000347000000000 ] - [ 0.0007576200000000, 0.0003803900000000, 0.0008792600000000 ] - [ -0.0007375800000000, -0.0002202300000000, 0.0003147100000000 ] - [ -0.0006319200000000, -0.0008231500000000, 0.0003213500000000 ] - [ -0.0002862100000000, 0.0000565800000000, -0.0004517300000000 ] - [ 0.0003638100000000, 0.0002699300000000, -0.0000639600000000 ] - [ -0.0001774300000000, -0.0001070800000000, -0.0000279400000000 ] - [ 0.0001820600000000, 0.0003509600000000, -0.0002036500000000 ] - [ 0.0003295500000000, -0.0028720500000000, 0.0008051000000000 ] - [ 0.0002251200000000, -0.0000022700000000, 0.0003239700000000 ] - [ 0.0023971200000000, -0.0017525300000000, -0.0027092300000000 ] - [ -0.0000979500000000, 0.0005055900000000, -0.0007134400000000 ] - [ -0.0001045100000000, 0.0004310900000000, -0.0004571800000000 ] - [ 0.0000060200000000, 0.0005118700000000, -0.0004093500000000 ] - [ -0.0003127000000000, -0.0001323600000000, -0.0005222600000000 ] - [ 0.0005367400000000, 0.0001226500000000, 0.0003276000000000 ] - [ 0.0005012900000000, 0.0004340800000000, 0.0002960200000000 ] - [ 0.0003003500000000, -0.0001145200000000, -0.0003015600000000 ] - [ -0.0002946300000000, 0.0008167100000000, 0.0002086000000000 ] - [ 0.0001231800000000, -0.0003324100000000, 0.0004429400000000 ] - [ -0.0006191600000000, 0.0006829500000000, -0.0001158000000000 ] - [ 0.0007059300000000, 0.0004758000000000, 0.0001039600000000 ] - [ -0.0001260900000000, -0.0002088500000000, -0.0005920400000000 ] - [ 0.0005880000000000, 0.0005677000000000, -0.0003520600000000 ] - [ -0.0000321000000000, -0.0000859700000000, 0.0001521200000000 ] - [ -0.0002574400000000, 0.0004161700000000, -0.0002044200000000 ] - [ 0.0001299000000000, -0.0000044600000000, 0.0000262600000000 ] - [ 0.0005138400000000, 0.0002751200000000, 0.0004029500000000 ] - [ 0.0012484500000000, 0.0001709400000000, 0.0008592100000000 ] - [ 0.0004043800000000, 0.0001452700000000, 0.0005382400000000 ] - [ 0.0001989000000000, 0.0006176000000000, 0.0005891200000000 ] - [ 0.0002757600000000, 0.0002074800000000, 0.0004146100000000 ] - [ -0.0004366700000000, -0.0001004700000000, -0.0003310300000000 ] - [ 0.0000615900000000, -0.0002067400000000, 0.0002022900000000 ] - [ -0.0000389000000000, 0.0000558400000000, 0.0000231700000000 ] - [ 0.0009827200000000, -0.0008090800000000, -0.0003221100000000 ] - [ -0.0001961400000000, 0.0001831800000000, -0.0001351200000000 ] - [ 0.0001899700000000, 0.0002672600000000, 0.0001853500000000 ] - [ 0.0005337100000000, -0.0001200800000000, -0.0002813300000000 ] - [ 0.0008755100000000, 0.0001619500000000, -0.0006517400000000 ] - [ -0.0005082000000000, 0.0001081600000000, -0.0005948200000000 ] - [ 0.0003337700000000, 0.0004238700000000, 0.0000905900000000 ] - [ 0.0007447900000000, -0.0005077000000000, 0.0006675100000000 ] - [ 0.0005364400000000, 0.0002848700000000, 0.0000688100000000 ] - [ -0.0002508600000000, 0.0006563100000000, -0.0003876300000000 ] - [ 0.0000349300000000, 0.0001136300000000, 0.0001020900000000 ] - [ 0.0002879500000000, 0.0000301700000000, -0.0002560300000000 ] - [ -0.0005378200000000, -0.0004181400000000, -0.0001244900000000 ] - [ -0.0001359600000000, -0.0000781300000000, 0.0002316500000000 ] - [ -0.0002209400000000, -0.0007968100000000, 0.0006229800000000 ] - [ -0.0003849200000000, -0.0002627100000000, 0.0002566100000000 ] - [ -0.0002229800000000, -0.0000384200000000, 0.0005031700000000 ] - [ -0.0006459900000000, -0.0004575700000000, 0.0000732100000000 ] - [ 0.0001768200000000, 0.0010817400000000, -0.0005876100000000 ] - [ 0.0007966800000000, 0.0003158800000000, 0.0001149600000000 ] - [ 0.0001427700000000, 0.0002884400000000, 0.0003395100000000 ] - [ -0.0005744200000000, 0.0004382700000000, 0.0004540100000000 ] - [ -0.0001041400000000, 0.0007286200000000, 0.0002699900000000 ] - [ -0.0007438700000000, -0.0003571700000000, 0.0000322900000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021170900000000, -0.0021875500000000, 0.0038018600000000 ] - [ -0.0002036500000000, -0.0000189900000000, -0.0006749100000000 ] - [ -0.0000305900000000, -0.0000901500000000, 0.0009207700000000 ] - [ 0.0007226200000000, 0.0006116800000000, -0.0001766000000000 ] - [ -0.0000174200000000, 0.0006097900000000, 0.0008488500000000 ] - [ 0.0021258400000000, 0.0010371900000000, -0.0001704800000000 ] - [ -0.0004979800000000, -0.0001954400000000, 0.0004161300000000 ] - [ 0.0000274500000000, -0.0005372100000000, 0.0002171700000000 ] - [ -0.0004266300000000, -0.0004168300000000, 0.0001186600000000 ] - [ -0.0002978600000000, -0.0000359500000000, 0.0004752000000000 ] - [ 0.0003647500000000, -0.0000246200000000, -0.0003910900000000 ] - [ -0.0002861100000000, 0.0004002200000000, -0.0000476700000000 ] - [ 0.0000207700000000, 0.0004463900000000, -0.0000882000000000 ] - [ -0.0003019100000000, -0.0000531800000000, 0.0005113000000000 ] - [ -0.0002210900000000, 0.0002399700000000, -0.0004649200000000 ] - [ 0.0004402700000000, -0.0002836600000000, 0.0000183800000000 ] - [ 0.0000707600000000, -0.0004579200000000, -0.0002804300000000 ] - [ 0.0003474600000000, -0.0000849700000000, -0.0001941500000000 ] - [ -0.0004284400000000, 0.0000704000000000, -0.0002306400000000 ] - [ -0.0001915000000000, 0.0005709400000000, -0.0003118000000000 ] - [ -0.0003000300000000, 0.0002240600000000, -0.0002618300000000 ] - [ 0.0000453000000000, -0.0002647800000000, -0.0003330800000000 ] - [ 0.0031458900000000, 0.0023969900000000, 0.0035248600000000 ] - [ -0.0002107500000000, -0.0004808600000000, 0.0001572900000000 ] - [ 0.0002343800000000, -0.0003606500000000, 0.0006062500000000 ] - [ 0.0006010500000000, -0.0045292100000000, 0.0016098500000000 ] - [ 0.0020422700000000, -0.0004162000000000, -0.0010799200000000 ] - [ -0.0005228700000000, -0.0003031200000000, -0.0000073500000000 ] - [ -0.0000507500000000, 0.0004124000000000, 0.0006945800000000 ] - [ -0.0008840300000000, 0.0008353500000000, 0.0005539500000000 ] - [ 0.0000908300000000, 0.0004916300000000, -0.0004669400000000 ] - [ 0.0002605400000000, 0.0001957800000000, -0.0004483300000000 ] - [ 0.0000754800000000, -0.0004572800000000, 0.0002788400000000 ] - [ -0.0004282300000000, 0.0001833600000000, 0.0003064400000000 ] - [ -0.0004506400000000, -0.0006600300000000, -0.0009616100000000 ] - [ -0.0003836300000000, -0.0005308600000000, 0.0002550100000000 ] - [ -0.0008968500000000, 0.0000088600000000, 0.0008609100000000 ] - [ 0.0007133700000000, 0.0006396300000000, 0.0001830500000000 ] - [ -0.0001791800000000, 0.0012145500000000, 0.0013465500000000 ] - [ -0.0000984200000000, -0.0001678800000000, 0.0005510500000000 ] - [ -0.0080337200000000, 0.0039669700000000, 0.0018149800000000 ] - [ 0.0002174500000000, -0.0011384100000000, -0.0006300000000000 ] - [ -0.0001265600000000, -0.0003180000000000, 0.0001347900000000 ] - [ 0.0001439000000000, -0.0001624800000000, 0.0006613400000000 ] - [ -0.0006007000000000, -0.0005006900000000, -0.0007303900000000 ] - [ 0.0001431900000000, -0.0003649900000000, 0.0000868600000000 ] - [ -0.0014713700000000, -0.0001022400000000, -0.0000929100000000 ] - [ -0.0004063600000000, 0.0001748700000000, -0.0003813500000000 ] - [ 0.0000293700000000, -0.0004496100000000, 0.0001274000000000 ] - [ 0.0003521500000000, 0.0004441200000000, 0.0006886700000000 ] - [ -0.0021420000000000, 0.0035553100000000, -0.0035629000000000 ] - [ 0.0014799500000000, -0.0002780500000000, 0.0008883600000000 ] - [ -0.0017962800000000, -0.0021501000000000, 0.0002992900000000 ] - [ 0.0217545800000000, 0.0231907900000000, -0.0274800500000000 ] - [ 0.0002580500000000, -0.0001911700000000, -0.0003794800000000 ] - [ -0.0000102600000000, -0.0001046300000000, 0.0007924400000000 ] - [ 0.0005494100000000, 0.0000034100000000, 0.0003234000000000 ] - [ 0.0005956100000000, 0.0003637200000000, 0.0001702500000000 ] - [ -0.0004305600000000, -0.0003625700000000, 0.0003777400000000 ] - [ -0.0006690600000000, -0.0000454900000000, 0.0001023300000000 ] - [ -0.0001122500000000, 0.0001463700000000, 0.0008083100000000 ] - [ -0.0003624800000000, 0.0003708300000000, -0.0004137000000000 ] - [ -0.0001080400000000, 0.0004695200000000, -0.0001999700000000 ] - [ -0.0001102400000000, -0.0006990500000000, 0.0000474200000000 ] - [ 0.0000878100000000, -0.0007010900000000, -0.0000378400000000 ] - [ 0.0001228100000000, 0.0004506800000000, 0.0002347700000000 ] - [ 0.0002211700000000, 0.0001258400000000, 0.0004573100000000 ] - [ -0.0000682400000000, 0.0000888000000000, -0.0007717100000000 ] - [ 0.0006951000000000, -0.0000271700000000, -0.0000874100000000 ] - [ 0.0004059900000000, -0.0002577800000000, -0.0002037100000000 ] - [ -0.0004741000000000, 0.0002210900000000, -0.0000722900000000 ] - [ -0.0008159800000000, 0.0000097800000000, -0.0000721700000000 ] - [ 0.0000876100000000, -0.0001872500000000, -0.0004666600000000 ] - [ -0.0003639400000000, -0.0001429700000000, 0.0005885900000000 ] - [ -0.0000903100000000, -0.0005030300000000, 0.0002001700000000 ] - [ -0.0001011300000000, 0.0006239500000000, -0.0000552900000000 ] - [ -0.0213091300000000, -0.0220890200000000, 0.0164088100000000 ] - [ -0.0007231000000000, 0.0005794600000000, 0.0023832700000000 ] - [ 0.0001427200000000, -0.0007331500000000, -0.0001740400000000 ] - [ 0.0009946700000000, -0.0030548500000000, -0.0008204600000000 ] - [ -0.0010081700000000, 0.0004769800000000, -0.0012909400000000 ] - [ -0.0000417900000000, 0.0003121200000000, -0.0005327400000000 ] - [ 0.0003975500000000, -0.0000185900000000, -0.0005269700000000 ] - [ 0.0004842600000000, -0.0003210800000000, -0.0011457600000000 ] - [ 0.0000544500000000, 0.0004160000000000, -0.0006747100000000 ] - [ 0.0000804000000000, -0.0005690700000000, -0.0007670100000000 ] - [ -0.0000085000000000, -0.0001101800000000, -0.0005797300000000 ] - [ -0.0007379300000000, -0.0000594600000000, 0.0001688800000000 ] - [ 0.0000044400000000, 0.0003438900000000, -0.0004016100000000 ] - [ 0.0015493700000000, -0.0015800700000000, -0.0012840500000000 ] - [ -0.0008548200000000, 0.0007550600000000, -0.0013689500000000 ] - [ 0.0058158500000000, 0.0013998100000000, 0.0045404400000000 ] - [ 0.0000698300000000, 0.0000237100000000, 0.0000190000000000 ] - [ 0.0007462700000000, 0.0010493500000000, 0.0001666000000000 ] - [ 0.0004097200000000, 0.0000181800000000, 0.0007474600000000 ] - [ -0.0005209000000000, 0.0000107700000000, 0.0002698500000000 ] - [ -0.0008371900000000, -0.0007043400000000, -0.0000352400000000 ] - [ -0.0004560200000000, 0.0002523800000000, -0.0008473800000000 ] - [ 0.0003119000000000, 0.0001602800000000, -0.0001695000000000 ] - [ -0.0001986500000000, -0.0003288100000000, 0.0001235800000000 ] - [ 0.0001215700000000, 0.0001806300000000, -0.0002434300000000 ] - [ 0.0005562400000000, -0.0016029500000000, 0.0011772000000000 ] - [ 0.0003036600000000, -0.0000067500000000, 0.0004333200000000 ] - [ 0.0010033100000000, -0.0000776200000000, -0.0011579700000000 ] - [ 0.0001213700000000, 0.0004216900000000, -0.0006586300000000 ] - [ -0.0001152200000000, 0.0003438300000000, -0.0005132900000000 ] - [ -0.0000734500000000, 0.0003912100000000, -0.0003989700000000 ] - [ -0.0001654100000000, -0.0001166700000000, -0.0006511100000000 ] - [ 0.0002773000000000, 0.0001358500000000, 0.0003457700000000 ] - [ 0.0003184300000000, 0.0004275300000000, 0.0002424600000000 ] - [ 0.0002693800000000, -0.0000994800000000, -0.0002930800000000 ] - [ -0.0003176000000000, 0.0006341600000000, 0.0001872700000000 ] - [ 0.0000274800000000, -0.0003097800000000, 0.0003150200000000 ] - [ -0.0006494400000000, 0.0006020400000000, -0.0001463700000000 ] - [ 0.0006240700000000, 0.0006070100000000, 0.0001298600000000 ] - [ -0.0001390900000000, -0.0002687700000000, -0.0005518600000000 ] - [ 0.0004417700000000, 0.0006400200000000, -0.0003154200000000 ] - [ -0.0001076900000000, -0.0001865600000000, 0.0002392400000000 ] - [ -0.0002861600000000, 0.0004025100000000, -0.0002931900000000 ] - [ 0.0001197900000000, -0.0000829300000000, -0.0000157900000000 ] - [ 0.0005109100000000, 0.0001718900000000, 0.0004757500000000 ] - [ 0.0007252400000000, 0.0001630700000000, 0.0007156800000000 ] - [ 0.0003941800000000, 0.0003080100000000, 0.0004921200000000 ] - [ 0.0001850600000000, 0.0006605500000000, 0.0006745000000000 ] - [ 0.0002849200000000, 0.0000139200000000, 0.0004273900000000 ] - [ -0.0005078200000000, -0.0000798400000000, -0.0003752400000000 ] - [ 0.0000699000000000, -0.0002908100000000, 0.0002686700000000 ] - [ -0.0001031900000000, 0.0001714400000000, 0.0000313700000000 ] - [ 0.0004436400000000, -0.0004845900000000, -0.0001219400000000 ] - [ -0.0002811700000000, 0.0002837500000000, -0.0000496800000000 ] - [ 0.0002003400000000, 0.0001373100000000, 0.0000853100000000 ] - [ 0.0005516900000000, -0.0002845800000000, -0.0003153600000000 ] - [ 0.0007352700000000, -0.0000703500000000, -0.0006226000000000 ] - [ -0.0005871500000000, 0.0000913300000000, -0.0006839300000000 ] - [ 0.0000005000000000, 0.0002563000000000, -0.0000789200000000 ] - [ -0.0000844800000000, -0.0004812600000000, 0.0005481000000000 ] - [ 0.0003934400000000, -0.0001032000000000, 0.0001054000000000 ] - [ -0.0002662000000000, 0.0005934000000000, -0.0004417500000000 ] - [ 0.0002433700000000, -0.0001848200000000, 0.0003117100000000 ] - [ 0.0003147900000000, 0.0005168600000000, -0.0000544100000000 ] - [ 0.0010875000000000, -0.0001467800000000, 0.0001327300000000 ] - [ -0.0001672100000000, 0.0000589400000000, 0.0001749300000000 ] - [ 0.0000203600000000, -0.0006170500000000, 0.0002578400000000 ] - [ -0.0005012600000000, -0.0001037500000000, 0.0003043800000000 ] - [ -0.0001599000000000, -0.0002708900000000, 0.0003672500000000 ] - [ -0.0006589800000000, -0.0002799800000000, -0.0001731700000000 ] - [ 0.0000962200000000, -0.0001640100000000, 0.0002190600000000 ] - [ 0.0005267200000000, -0.0002282900000000, -0.0000509300000000 ] - [ 0.0000533200000000, 0.0000886900000000, 0.0001341500000000 ] - [ -0.0000542500000000, -0.0012765500000000, 0.0003225400000000 ] - [ -0.0002241100000000, 0.0002429700000000, -0.0000911900000000 ] - [ -0.0006911100000000, -0.0005071800000000, 0.0001367800000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0025540300000000, 0.0013365400000000, -0.0038963300000000 ] - [ -0.0003946000000000, 0.0001100700000000, -0.0003255900000000 ] - [ -0.0001211600000000, -0.0003778700000000, -0.0000892500000000 ] - [ 0.0002775000000000, -0.0000130600000000, 0.0002685900000000 ] - [ 0.0001097100000000, 0.0003896900000000, -0.0002476400000000 ] - [ -0.0012878100000000, -0.0008792100000000, 0.0006372600000000 ] - [ -0.0003284900000000, 0.0000440500000000, 0.0000571700000000 ] - [ -0.0001186500000000, -0.0004617000000000, 0.0003818100000000 ] - [ -0.0005730800000000, -0.0001822300000000, -0.0000292600000000 ] - [ 0.0004474800000000, 0.0005044800000000, 0.0003536300000000 ] - [ 0.0002337600000000, -0.0000670200000000, -0.0006092000000000 ] - [ -0.0001832900000000, 0.0004264600000000, -0.0001046300000000 ] - [ 0.0004478700000000, 0.0003807700000000, 0.0002394800000000 ] - [ -0.0002959200000000, -0.0000379100000000, 0.0004879800000000 ] - [ 0.0000693100000000, 0.0002307900000000, -0.0003635800000000 ] - [ 0.0005593800000000, -0.0003141000000000, -0.0001075300000000 ] - [ 0.0000195800000000, -0.0005423400000000, -0.0003183700000000 ] - [ 0.0004845700000000, -0.0000640700000000, -0.0002811700000000 ] - [ -0.0003994800000000, 0.0000820200000000, -0.0002402200000000 ] - [ 0.0000997800000000, 0.0004304400000000, -0.0002888500000000 ] - [ -0.0006991800000000, 0.0003745100000000, 0.0001753700000000 ] - [ 0.0001068800000000, -0.0002049500000000, -0.0004969300000000 ] - [ -0.0025806900000000, -0.0023318400000000, -0.0025760800000000 ] - [ -0.0002593800000000, -0.0003453800000000, -0.0000040000000000 ] - [ 0.0001897500000000, -0.0007417600000000, 0.0000315700000000 ] - [ 0.0000423500000000, 0.0041089700000000, -0.0004790400000000 ] - [ -0.0009376000000000, 0.0010492500000000, 0.0006342700000000 ] - [ -0.0005823400000000, -0.0003350600000000, -0.0004162000000000 ] - [ -0.0005827600000000, 0.0000145600000000, 0.0004122900000000 ] - [ 0.0004558000000000, 0.0002729800000000, 0.0000886700000000 ] - [ 0.0003336600000000, 0.0006159500000000, -0.0001722600000000 ] - [ 0.0003758800000000, 0.0002285200000000, -0.0006581400000000 ] - [ 0.0010280800000000, -0.0001841300000000, 0.0001414300000000 ] - [ -0.0006804500000000, 0.0004553000000000, 0.0001194800000000 ] - [ -0.0001893300000000, 0.0002405200000000, -0.0001362800000000 ] - [ -0.0000412100000000, -0.0005764900000000, -0.0008921200000000 ] - [ 0.0002332300000000, 0.0006762800000000, -0.0002110500000000 ] - [ -0.0001663500000000, -0.0000984500000000, 0.0003629200000000 ] - [ -0.0007271800000000, -0.0002957900000000, -0.0022417100000000 ] - [ -0.0004029300000000, -0.0003321700000000, -0.0000473600000000 ] - [ 0.0085427400000000, -0.0034445200000000, -0.0012582300000000 ] - [ 0.0006925500000000, 0.0002255800000000, -0.0002811300000000 ] - [ -0.0004197700000000, -0.0002274200000000, 0.0004064600000000 ] - [ 0.0005219800000000, -0.0005051600000000, 0.0000108200000000 ] - [ -0.0000665600000000, -0.0001664000000000, 0.0000591000000000 ] - [ 0.0004029100000000, -0.0001830200000000, -0.0006294500000000 ] - [ 0.0005675200000000, -0.0008189200000000, 0.0010161600000000 ] - [ -0.0000957400000000, 0.0003281500000000, -0.0001202100000000 ] - [ 0.0004710400000000, -0.0000558000000000, -0.0006287900000000 ] - [ 0.0005596200000000, 0.0004681700000000, 0.0002237900000000 ] - [ 0.0015827300000000, -0.0030004000000000, 0.0029637000000000 ] - [ -0.0008202400000000, 0.0009506200000000, -0.0015613700000000 ] - [ 0.0020314200000000, 0.0035958900000000, -0.0003308400000000 ] - [ -0.0239172800000000, -0.0261875300000000, 0.0282202800000000 ] - [ 0.0002080600000000, -0.0000957400000000, -0.0005358400000000 ] - [ -0.0000349000000000, -0.0000880300000000, 0.0006612300000000 ] - [ 0.0009090700000000, 0.0000408800000000, -0.0001324500000000 ] - [ 0.0003206900000000, 0.0001033600000000, 0.0001169300000000 ] - [ -0.0004822100000000, -0.0001039300000000, -0.0000868500000000 ] - [ -0.0007855200000000, 0.0000010300000000, 0.0000897800000000 ] - [ 0.0001572200000000, 0.0000456900000000, 0.0006472800000000 ] - [ -0.0001039100000000, -0.0000804200000000, -0.0004989800000000 ] - [ -0.0001794800000000, 0.0004457200000000, -0.0002657900000000 ] - [ -0.0000821000000000, -0.0007562500000000, -0.0000027000000000 ] - [ 0.0001046900000000, -0.0007534200000000, -0.0000070300000000 ] - [ 0.0001649900000000, 0.0004641000000000, 0.0002308200000000 ] - [ 0.0002447400000000, 0.0001620500000000, 0.0004577800000000 ] - [ 0.0000235700000000, 0.0001035600000000, -0.0006834300000000 ] - [ 0.0007590500000000, -0.0000172500000000, -0.0001048500000000 ] - [ 0.0005093500000000, -0.0002078900000000, -0.0000832400000000 ] - [ -0.0004410600000000, 0.0002446400000000, -0.0002151000000000 ] - [ -0.0006379500000000, 0.0000357100000000, -0.0001207500000000 ] - [ -0.0000432900000000, -0.0000049200000000, -0.0009882600000000 ] - [ -0.0001035000000000, -0.0001453500000000, 0.0003266900000000 ] - [ -0.0001980800000000, -0.0004119000000000, 0.0002663600000000 ] - [ -0.0000907400000000, 0.0008326400000000, 0.0000115000000000 ] - [ 0.0250159900000000, 0.0229801400000000, -0.0176296200000000 ] - [ 0.0005033200000000, 0.0000235000000000, -0.0012832400000000 ] - [ 0.0004397300000000, -0.0003517300000000, 0.0003811600000000 ] - [ -0.0012739800000000, 0.0033120500000000, 0.0005315500000000 ] - [ 0.0002401500000000, -0.0012639500000000, 0.0015172100000000 ] - [ 0.0000969800000000, -0.0002591600000000, 0.0004792100000000 ] - [ 0.0003711300000000, -0.0002175900000000, -0.0002309400000000 ] - [ 0.0000736200000000, -0.0001900100000000, 0.0001054800000000 ] - [ 0.0001857700000000, -0.0012035400000000, -0.0000780100000000 ] - [ 0.0000962300000000, -0.0007213900000000, -0.0004752600000000 ] - [ 0.0003768700000000, 0.0001582500000000, -0.0001683700000000 ] - [ -0.0003489300000000, 0.0002624300000000, 0.0004085700000000 ] - [ 0.0000463100000000, 0.0004046900000000, 0.0000327100000000 ] - [ -0.0019368100000000, 0.0012094000000000, 0.0008975000000000 ] - [ 0.0013498500000000, 0.0002880300000000, 0.0019147400000000 ] - [ -0.0065463800000000, -0.0017697300000000, -0.0046892300000000 ] - [ 0.0002479300000000, -0.0003406700000000, -0.0003370800000000 ] - [ 0.0002995700000000, -0.0004818000000000, 0.0003351500000000 ] - [ 0.0008313600000000, 0.0001577800000000, 0.0005430000000000 ] - [ -0.0007248900000000, -0.0001860800000000, 0.0010155300000000 ] - [ -0.0002088500000000, 0.0001378000000000, 0.0005399800000000 ] - [ 0.0001349500000000, 0.0000654600000000, 0.0005243300000000 ] - [ 0.0004328600000000, 0.0002151300000000, 0.0001273100000000 ] - [ -0.0003142400000000, -0.0006996500000000, 0.0004300300000000 ] - [ 0.0002503800000000, 0.0001925900000000, -0.0001295100000000 ] - [ -0.0005981100000000, 0.0008513800000000, -0.0015506000000000 ] - [ 0.0007848400000000, -0.0002020700000000, 0.0001528200000000 ] - [ -0.0013546400000000, 0.0000196300000000, 0.0003919700000000 ] - [ -0.0002981600000000, 0.0008639200000000, -0.0005863100000000 ] - [ -0.0001180300000000, 0.0004194600000000, -0.0002563000000000 ] - [ -0.0004843100000000, 0.0001199600000000, -0.0006363900000000 ] - [ -0.0006045700000000, 0.0003468000000000, -0.0001146700000000 ] - [ -0.0003357300000000, -0.0001934100000000, -0.0004026100000000 ] - [ 0.0004457600000000, 0.0003510700000000, -0.0000153900000000 ] - [ 0.0000263300000000, -0.0001948000000000, -0.0000033200000000 ] - [ -0.0002646100000000, 0.0004539300000000, 0.0000197000000000 ] - [ 0.0001864800000000, -0.0002773600000000, 0.0007741600000000 ] - [ -0.0006389700000000, 0.0006413600000000, -0.0000303200000000 ] - [ 0.0006604000000000, 0.0006349200000000, 0.0000472400000000 ] - [ -0.0000771900000000, -0.0003205000000000, -0.0005374900000000 ] - [ 0.0001405100000000, 0.0004474600000000, 0.0001091100000000 ] - [ -0.0001874800000000, -0.0001091400000000, 0.0000575200000000 ] - [ -0.0004812300000000, 0.0003759600000000, 0.0000700700000000 ] - [ -0.0000633600000000, 0.0000272500000000, 0.0000708300000000 ] - [ 0.0002610800000000, 0.0000574200000000, 0.0002895900000000 ] - [ -0.0001682800000000, 0.0003494100000000, 0.0003145600000000 ] - [ -0.0001670700000000, 0.0004567400000000, 0.0002869300000000 ] - [ -0.0000084600000000, 0.0006265600000000, 0.0005673000000000 ] - [ 0.0000861700000000, -0.0000618500000000, 0.0003198300000000 ] - [ -0.0005742900000000, -0.0001192200000000, -0.0002043500000000 ] - [ -0.0000157000000000, -0.0004584300000000, 0.0000964000000000 ] - [ -0.0002682700000000, 0.0002014300000000, 0.0003408100000000 ] - [ 0.0000604100000000, -0.0005531900000000, -0.0004391500000000 ] - [ -0.0004625000000000, 0.0000945200000000, 0.0000918600000000 ] - [ 0.0001187700000000, 0.0001804200000000, 0.0002335600000000 ] - [ 0.0004924500000000, -0.0002789300000000, -0.0001901100000000 ] - [ 0.0005066300000000, -0.0001076600000000, -0.0006644400000000 ] - [ -0.0006535900000000, 0.0000840000000000, -0.0006028600000000 ] - [ -0.0010525600000000, 0.0003073100000000, -0.0004320400000000 ] - [ -0.0002270100000000, 0.0001659500000000, -0.0002344000000000 ] - [ 0.0003503000000000, -0.0002769800000000, -0.0000664800000000 ] - [ -0.0002489300000000, 0.0004340100000000, -0.0001133900000000 ] - [ 0.0001290900000000, -0.0001888300000000, 0.0000605000000000 ] - [ -0.0003509800000000, 0.0002303000000000, 0.0004286500000000 ] - [ 0.0000063500000000, 0.0003598800000000, -0.0007120300000000 ] - [ -0.0002026600000000, -0.0000092200000000, 0.0005713200000000 ] - [ -0.0001949600000000, -0.0006684100000000, 0.0009848000000000 ] - [ 0.0002708700000000, -0.0006619900000000, 0.0004595800000000 ] - [ -0.0003981300000000, -0.0002424500000000, 0.0006656900000000 ] - [ -0.0001102200000000, 0.0000520300000000, 0.0009385900000000 ] - [ -0.0001506200000000, 0.0002206400000000, -0.0001514600000000 ] - [ 0.0002392200000000, -0.0005545000000000, -0.0001685800000000 ] - [ 0.0002435300000000, 0.0002078000000000, 0.0001611800000000 ] - [ -0.0005232800000000, 0.0001817200000000, -0.0005206200000000 ] - [ 0.0004443600000000, 0.0003507900000000, -0.0010049100000000 ] - [ -0.0005969200000000, -0.0007371700000000, 0.0000389800000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024226800000000, -0.0002403300000000, 0.0003601000000000 ] - [ -0.0000405300000000, 0.0001030900000000, -0.0005406100000000 ] - [ 0.0001430000000000, -0.0002401400000000, 0.0005370000000000 ] - [ 0.0008846600000000, 0.0007622500000000, 0.0004445500000000 ] - [ 0.0001324000000000, 0.0007052400000000, 0.0008008300000000 ] - [ 0.0003995000000000, -0.0006212900000000, -0.0010379600000000 ] - [ -0.0003840800000000, -0.0001898600000000, 0.0004249100000000 ] - [ -0.0001282900000000, -0.0003026700000000, 0.0001666500000000 ] - [ -0.0005534100000000, -0.0002017000000000, -0.0000478000000000 ] - [ -0.0007280400000000, -0.0002474100000000, 0.0005574400000000 ] - [ 0.0000522700000000, -0.0000465900000000, -0.0004411500000000 ] - [ -0.0004048300000000, 0.0004031000000000, -0.0000566400000000 ] - [ -0.0007653100000000, 0.0003998000000000, 0.0000043500000000 ] - [ -0.0004002900000000, -0.0000443400000000, 0.0004891700000000 ] - [ -0.0006552900000000, 0.0000140600000000, -0.0004623300000000 ] - [ 0.0003551400000000, -0.0002048900000000, 0.0000351000000000 ] - [ -0.0001347600000000, -0.0003342200000000, -0.0007508600000000 ] - [ -0.0003638100000000, -0.0008096600000000, 0.0003308600000000 ] - [ -0.0004974400000000, -0.0000220100000000, -0.0003283700000000 ] - [ -0.0001831800000000, 0.0006422900000000, -0.0002516100000000 ] - [ -0.0007389400000000, 0.0012847400000000, -0.0003757500000000 ] - [ 0.0001751100000000, -0.0003579700000000, -0.0002790800000000 ] - [ 0.0026841700000000, 0.0002013500000000, -0.0001885900000000 ] - [ -0.0001317900000000, -0.0004510900000000, 0.0000613700000000 ] - [ 0.0006373600000000, -0.0002026800000000, 0.0003882400000000 ] - [ 0.0041197600000000, -0.0029080400000000, 0.0018275600000000 ] - [ -0.0006919400000000, 0.0012343100000000, -0.0017676800000000 ] - [ -0.0004239200000000, -0.0004681300000000, -0.0000481900000000 ] - [ -0.0005390000000000, 0.0000878500000000, 0.0005095900000000 ] - [ -0.0021603400000000, 0.0012663200000000, 0.0004389800000000 ] - [ -0.0002207500000000, 0.0004952600000000, -0.0003580300000000 ] - [ -0.0000389400000000, -0.0000013700000000, -0.0004531000000000 ] - [ -0.0009065900000000, 0.0010035700000000, 0.0014162800000000 ] - [ -0.0006074200000000, 0.0002922200000000, 0.0001282400000000 ] - [ 0.0000052800000000, -0.0023176900000000, -0.0011541800000000 ] - [ 0.0002659900000000, -0.0003809300000000, -0.0003576600000000 ] - [ 0.0075413300000000, -0.0008729400000000, -0.0019291100000000 ] - [ 0.0015134400000000, 0.0003991800000000, -0.0006638100000000 ] - [ 0.0000678900000000, -0.0003354000000000, -0.0018614600000000 ] - [ -0.0001020800000000, -0.0002592000000000, 0.0002360400000000 ] - [ -0.0067852800000000, 0.0072693400000000, 0.0044526600000000 ] - [ -0.0000759100000000, -0.0012916500000000, -0.0005281100000000 ] - [ -0.0013791600000000, -0.0001385400000000, 0.0002200400000000 ] - [ -0.0002733300000000, -0.0001035200000000, 0.0006158900000000 ] - [ -0.0015093800000000, -0.0004104800000000, -0.0008934900000000 ] - [ -0.0003460300000000, -0.0003081800000000, -0.0000791100000000 ] - [ -0.0060110900000000, -0.0014304800000000, -0.0005251800000000 ] - [ -0.0006915700000000, 0.0000468800000000, -0.0002220300000000 ] - [ -0.0003851800000000, -0.0009921200000000, 0.0008474800000000 ] - [ 0.0004837800000000, 0.0004251300000000, 0.0004900800000000 ] - [ 0.0010679300000000, 0.0026055000000000, 0.0001304000000000 ] - [ 0.0011164800000000, 0.0003362100000000, -0.0002343100000000 ] - [ 0.1098169800000000, -0.1102408900000000, 0.0064512100000000 ] - [ 0.2377352900000000, 0.1430108500000000, -0.0244975000000000 ] - [ 0.0002503200000000, -0.0001623400000000, -0.0004695500000000 ] - [ 0.0000521500000000, -0.0001513800000000, 0.0006186400000000 ] - [ 0.0011512800000000, -0.0001393100000000, 0.0001633000000000 ] - [ 0.0006160600000000, 0.0002556000000000, 0.0000917700000000 ] - [ -0.0003231900000000, -0.0004505600000000, 0.0007318000000000 ] - [ -0.0008384000000000, -0.0000526600000000, 0.0000355400000000 ] - [ -0.0001902200000000, 0.0001088000000000, 0.0009631600000000 ] - [ -0.0006035000000000, 0.0007684300000000, -0.0001304400000000 ] - [ -0.0001770400000000, 0.0004367200000000, -0.0002261300000000 ] - [ -0.0001274700000000, -0.0007072800000000, 0.0000333100000000 ] - [ -0.0000181000000000, -0.0007566300000000, 0.0000193100000000 ] - [ -0.0000585200000000, 0.0005249800000000, 0.0002486100000000 ] - [ 0.0001898600000000, 0.0001581000000000, 0.0004124000000000 ] - [ -0.0001654200000000, 0.0001666600000000, -0.0006191200000000 ] - [ 0.0004766000000000, -0.0000843900000000, -0.0001577200000000 ] - [ 0.0003517800000000, -0.0003073000000000, -0.0001726000000000 ] - [ -0.0004351200000000, 0.0002137200000000, -0.0001232300000000 ] - [ -0.0006558000000000, -0.0000735400000000, -0.0001613000000000 ] - [ 0.0000686900000000, -0.0001312600000000, -0.0006059300000000 ] - [ -0.0001283400000000, 0.0001425300000000, 0.0006968100000000 ] - [ -0.0000465700000000, -0.0005628700000000, 0.0001824500000000 ] - [ -0.0000576300000000, 0.0007398000000000, -0.0000342800000000 ] - [ -0.3675626400000000, -0.0353391500000000, 0.0222645000000000 ] - [ -0.0013442400000000, -0.0003265400000000, 0.0010766800000000 ] - [ -0.0002134600000000, -0.0006666400000000, 0.0002735300000000 ] - [ -0.0013044800000000, -0.0004121500000000, -0.0005714800000000 ] - [ -0.0015635200000000, -0.0004390000000000, -0.0002948000000000 ] - [ -0.0002290300000000, 0.0000261100000000, -0.0000674900000000 ] - [ -0.0007706700000000, -0.0009667500000000, 0.0006803400000000 ] - [ -0.0004661800000000, -0.0001329300000000, -0.0002449600000000 ] - [ -0.0032315900000000, -0.0120503900000000, 0.0037689600000000 ] - [ -0.0000690100000000, -0.0006182100000000, -0.0005472300000000 ] - [ 0.0000076700000000, -0.0000601000000000, -0.0003550500000000 ] - [ -0.0012699500000000, 0.0000713400000000, 0.0002528800000000 ] - [ -0.0000744600000000, 0.0003884100000000, -0.0002160500000000 ] - [ 0.0014387600000000, -0.0015928300000000, -0.0029251000000000 ] - [ 0.0004677300000000, 0.0008644900000000, 0.0022862300000000 ] - [ 0.0169862400000000, 0.0106031800000000, -0.0089732600000000 ] - [ 0.0000980400000000, -0.0000972800000000, -0.0001293200000000 ] - [ 0.0007124000000000, 0.0016082400000000, -0.0000677800000000 ] - [ 0.0005372000000000, 0.0002279600000000, 0.0008329500000000 ] - [ -0.0009850100000000, 0.0001915200000000, 0.0002143700000000 ] - [ -0.0004898100000000, 0.0000827000000000, 0.0005085400000000 ] - [ -0.0000534800000000, 0.0001518900000000, 0.0002044000000000 ] - [ 0.0003548500000000, 0.0002608600000000, -0.0000452500000000 ] - [ -0.0001201100000000, -0.0002090600000000, -0.0000525800000000 ] - [ 0.0001652000000000, 0.0001600500000000, -0.0001345400000000 ] - [ 0.0013605000000000, -0.0017337900000000, 0.0002609400000000 ] - [ 0.0013381200000000, -0.0005587300000000, 0.0005387100000000 ] - [ 0.0027480700000000, -0.0006616300000000, -0.0024227500000000 ] - [ 0.0003976700000000, 0.0002126600000000, -0.0009909500000000 ] - [ 0.0000183700000000, 0.0003620700000000, -0.0004433900000000 ] - [ 0.0001456700000000, 0.0004065600000000, -0.0004049200000000 ] - [ 0.0001318300000000, -0.0001969500000000, -0.0007103400000000 ] - [ 0.0008694300000000, 0.0002753300000000, 0.0004600100000000 ] - [ 0.0006877700000000, 0.0003984100000000, 0.0001842700000000 ] - [ 0.0004565700000000, -0.0001137000000000, -0.0003290800000000 ] - [ -0.0000359900000000, 0.0004725800000000, 0.0000855700000000 ] - [ 0.0002993300000000, -0.0003091300000000, 0.0005333900000000 ] - [ -0.0005727300000000, 0.0006273900000000, -0.0001095100000000 ] - [ 0.0009684600000000, 0.0005950900000000, 0.0000653900000000 ] - [ 0.0002335300000000, -0.0002641000000000, -0.0003569300000000 ] - [ 0.0008202200000000, 0.0005740400000000, -0.0002966300000000 ] - [ 0.0004797100000000, -0.0000230100000000, 0.0000371100000000 ] - [ 0.0000038200000000, 0.0004497700000000, -0.0002837100000000 ] - [ 0.0003404600000000, -0.0000871500000000, 0.0000663300000000 ] - [ 0.0007830800000000, 0.0001775000000000, 0.0003658200000000 ] - [ 0.0025370100000000, 0.0004175300000000, 0.0011586800000000 ] - [ 0.0010191200000000, -0.0000025000000000, 0.0004586700000000 ] - [ 0.0004606200000000, 0.0004769100000000, 0.0006218500000000 ] - [ 0.0005436500000000, 0.0000990700000000, 0.0003095500000000 ] - [ -0.0001994700000000, -0.0001014600000000, -0.0002845200000000 ] - [ 0.0001745400000000, -0.0002952100000000, 0.0003206300000000 ] - [ 0.0001472300000000, 0.0001620700000000, -0.0001389000000000 ] - [ 0.0019699700000000, -0.0006499500000000, -0.0003731500000000 ] - [ 0.0000329400000000, 0.0004886700000000, -0.0002280900000000 ] - [ 0.0002173100000000, 0.0001324200000000, 0.0001206500000000 ] - [ 0.0005834100000000, -0.0001973200000000, -0.0002586000000000 ] - [ 0.0006791300000000, 0.0000910200000000, -0.0006193600000000 ] - [ -0.0004359300000000, 0.0002332500000000, -0.0004762000000000 ] - [ 0.0011672900000000, 0.0012650200000000, 0.0003372500000000 ] - [ 0.0028032900000000, -0.0003366800000000, 0.0017157400000000 ] - [ 0.0004902900000000, 0.0002534300000000, 0.0001292700000000 ] - [ -0.0002541800000000, 0.0005453300000000, -0.0002655700000000 ] - [ 0.0002754200000000, -0.0002561100000000, 0.0002316500000000 ] - [ 0.0005895700000000, 0.0004085000000000, -0.0011661900000000 ] - [ 0.0001282500000000, -0.0011085100000000, -0.0006506700000000 ] - [ -0.0003790100000000, 0.0001150600000000, 0.0000693200000000 ] - [ -0.0001925000000000, -0.0008305900000000, 0.0003515400000000 ] - [ -0.0004045000000000, -0.0003908300000000, 0.0005589300000000 ] - [ -0.0004300900000000, -0.0002238200000000, 0.0005452600000000 ] - [ -0.0007590300000000, -0.0002813700000000, 0.0002733500000000 ] - [ -0.0016377600000000, 0.0025105100000000, -0.0005536800000000 ] - [ -0.0010672500000000, -0.0003034400000000, -0.0005589100000000 ] - [ -0.0000453900000000, 0.0002092500000000, 0.0003791800000000 ] - [ -0.0005686100000000, -0.0010591800000000, -0.0002862400000000 ] - [ -0.0008297500000000, 0.0008912000000000, 0.0006434200000000 ] - [ -0.0008039300000000, -0.0005391900000000, 0.0001192200000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019418900000000, -0.0005777100000000, -0.0005579800000000 ] - [ -0.0005602900000000, -0.0000182900000000, -0.0004603200000000 ] - [ -0.0002968100000000, -0.0002305100000000, 0.0002905500000000 ] - [ 0.0001177400000000, -0.0001634300000000, -0.0003675700000000 ] - [ -0.0000428000000000, 0.0002951000000000, -0.0001992000000000 ] - [ 0.0004224000000000, 0.0007699200000000, 0.0015143900000000 ] - [ -0.0004451000000000, 0.0000371600000000, 0.0000472200000000 ] - [ 0.0000419900000000, -0.0007038200000000, 0.0004355900000000 ] - [ -0.0004464200000000, -0.0003973100000000, 0.0001373600000000 ] - [ 0.0008827300000000, 0.0007196800000000, 0.0002707800000000 ] - [ 0.0005476800000000, -0.0000432500000000, -0.0005599900000000 ] - [ -0.0000643600000000, 0.0004240900000000, -0.0000961000000000 ] - [ 0.0012378200000000, 0.0004285600000000, 0.0001483500000000 ] - [ -0.0001987500000000, -0.0000466500000000, 0.0005106000000000 ] - [ 0.0005052900000000, 0.0004571400000000, -0.0003669800000000 ] - [ 0.0006454200000000, -0.0003957300000000, -0.0001246100000000 ] - [ 0.0002255700000000, -0.0006665600000000, 0.0001516800000000 ] - [ 0.0011953600000000, 0.0006651900000000, -0.0008073700000000 ] - [ -0.0003313200000000, 0.0001750800000000, -0.0001432600000000 ] - [ 0.0000939600000000, 0.0003554200000000, -0.0003504700000000 ] - [ -0.0002552600000000, -0.0006919000000000, 0.0002932100000000 ] - [ -0.0000249000000000, -0.0001114100000000, -0.0005481400000000 ] - [ -0.0020774500000000, -0.0001004900000000, 0.0012163400000000 ] - [ -0.0003399500000000, -0.0003774200000000, 0.0000921100000000 ] - [ -0.0002203000000000, -0.0009156900000000, 0.0002507500000000 ] - [ -0.0035099700000000, 0.0024946900000000, -0.0007211100000000 ] - [ 0.0018130100000000, -0.0005573700000000, 0.0013474400000000 ] - [ -0.0006819800000000, -0.0001688200000000, -0.0003777300000000 ] - [ -0.0000976000000000, 0.0003363000000000, 0.0005953300000000 ] - [ 0.0017432500000000, -0.0001640000000000, 0.0001988900000000 ] - [ 0.0006478700000000, 0.0006104700000000, -0.0002805500000000 ] - [ 0.0006762100000000, 0.0004274000000000, -0.0006525500000000 ] - [ 0.0020261600000000, -0.0016467700000000, -0.0010001500000000 ] - [ -0.0004982500000000, 0.0003439400000000, 0.0002995800000000 ] - [ -0.0006510000000000, 0.0019095000000000, 0.0000519100000000 ] - [ -0.0006907900000000, -0.0007227000000000, -0.0002811900000000 ] - [ -0.0083177200000000, 0.0014970300000000, 0.0026330800000000 ] - [ -0.0009676800000000, 0.0001496800000000, 0.0012067100000000 ] - [ -0.0009827100000000, 0.0012462500000000, 0.0009478500000000 ] - [ -0.0004000200000000, -0.0002462700000000, 0.0002659400000000 ] - [ 0.0072861700000000, -0.0068510800000000, -0.0039632200000000 ] - [ 0.0009913900000000, 0.0003765400000000, -0.0003867200000000 ] - [ 0.0008420900000000, -0.0004120700000000, 0.0003255800000000 ] - [ 0.0009432900000000, -0.0005638100000000, 0.0000527900000000 ] - [ 0.0008463500000000, -0.0002584500000000, 0.0002271900000000 ] - [ 0.0008957600000000, -0.0002394900000000, -0.0004678700000000 ] - [ 0.0051278400000000, 0.0005231300000000, 0.0014464200000000 ] - [ 0.0001890100000000, 0.0004531500000000, -0.0002783600000000 ] - [ 0.0008891300000000, 0.0004988600000000, -0.0013543200000000 ] - [ 0.0004263700000000, 0.0004863300000000, 0.0004232900000000 ] - [ -0.0016144000000000, -0.0021050900000000, -0.0007017100000000 ] - [ -0.0004492800000000, 0.0003299200000000, -0.0004317800000000 ] - [ -0.1098838500000000, 0.1080871000000000, -0.0061242300000000 ] - [ -0.2270767700000000, -0.1320929000000000, 0.0218995800000000 ] - [ 0.0002155300000000, -0.0001279800000000, -0.0004440400000000 ] - [ -0.0000963500000000, -0.0000407200000000, 0.0008400500000000 ] - [ 0.0002997400000000, 0.0001846100000000, 0.0000299600000000 ] - [ 0.0002973600000000, 0.0002091400000000, 0.0001971300000000 ] - [ -0.0005933000000000, -0.0000146100000000, -0.0004461600000000 ] - [ -0.0006154800000000, 0.0000080500000000, 0.0001579600000000 ] - [ 0.0002347000000000, 0.0000852200000000, 0.0004894600000000 ] - [ 0.0001388100000000, -0.0004783100000000, -0.0007848000000000 ] - [ -0.0001123800000000, 0.0004778600000000, -0.0002397900000000 ] - [ -0.0000660500000000, -0.0007466900000000, 0.0000112800000000 ] - [ 0.0002113500000000, -0.0006971000000000, -0.0000644500000000 ] - [ 0.0003473900000000, 0.0003902400000000, 0.0002172200000000 ] - [ 0.0002758200000000, 0.0001305400000000, 0.0005028500000000 ] - [ 0.0001213100000000, 0.0000259800000000, -0.0008354900000000 ] - [ 0.0009778100000000, 0.0000402500000000, -0.0000348300000000 ] - [ 0.0005621300000000, -0.0001587000000000, -0.0001168100000000 ] - [ -0.0004801500000000, 0.0002526000000000, -0.0001654500000000 ] - [ -0.0008025200000000, 0.0001172600000000, -0.0000303200000000 ] - [ -0.0000246600000000, -0.0000617200000000, -0.0008489500000000 ] - [ -0.0003381700000000, -0.0004320400000000, 0.0002161400000000 ] - [ -0.0002430500000000, -0.0003517700000000, 0.0002835000000000 ] - [ -0.0001361800000000, 0.0007125900000000, -0.0000099200000000 ] - [ 0.3589227800000000, 0.0256594400000000, -0.0204936300000000 ] - [ 0.0011338900000000, 0.0009383500000000, 0.0000076100000000 ] - [ 0.0007997500000000, -0.0004184400000000, -0.0000583600000000 ] - [ 0.0010190500000000, 0.0007112200000000, 0.0002932900000000 ] - [ 0.0008039600000000, -0.0003417300000000, 0.0005213900000000 ] - [ 0.0002916200000000, 0.0000368400000000, 0.0000060100000000 ] - [ 0.0015611300000000, 0.0007604000000000, -0.0014626300000000 ] - [ 0.0010199600000000, -0.0003735400000000, -0.0007938000000000 ] - [ 0.0033700600000000, 0.0113895000000000, -0.0046143900000000 ] - [ 0.0002443300000000, -0.0006735600000000, -0.0007007100000000 ] - [ 0.0003682200000000, 0.0001016100000000, -0.0003903600000000 ] - [ 0.0001816600000000, 0.0001539500000000, 0.0003418100000000 ] - [ 0.0001095600000000, 0.0003548600000000, -0.0001650400000000 ] - [ -0.0017973700000000, 0.0012175300000000, 0.0025250800000000 ] - [ 0.0000357900000000, 0.0001785900000000, -0.0017162800000000 ] - [ -0.0177138100000000, -0.0108257300000000, 0.0089224500000000 ] - [ 0.0002141200000000, -0.0002121300000000, -0.0001827800000000 ] - [ 0.0003306400000000, -0.0010542400000000, 0.0005710000000000 ] - [ 0.0007096100000000, -0.0000495900000000, 0.0004607600000000 ] - [ -0.0002557900000000, -0.0003677000000000, 0.0010790100000000 ] - [ -0.0005366800000000, -0.0006319500000000, 0.0000055600000000 ] - [ -0.0002602800000000, 0.0001625000000000, -0.0005169700000000 ] - [ 0.0003923500000000, 0.0001065500000000, -0.0000102500000000 ] - [ -0.0003794300000000, -0.0008403300000000, 0.0006141100000000 ] - [ 0.0002099000000000, 0.0002160500000000, -0.0002417300000000 ] - [ -0.0013964600000000, 0.0009958100000000, -0.0006439400000000 ] - [ -0.0002628300000000, 0.0003366600000000, 0.0000506300000000 ] - [ -0.0031315400000000, 0.0006240900000000, 0.0016870900000000 ] - [ -0.0005780100000000, 0.0010777600000000, -0.0002514400000000 ] - [ -0.0002421700000000, 0.0004056900000000, -0.0003418500000000 ] - [ -0.0006972900000000, 0.0001015300000000, -0.0006281000000000 ] - [ -0.0009083900000000, 0.0004313200000000, -0.0000501900000000 ] - [ -0.0009352800000000, -0.0003376500000000, -0.0005225100000000 ] - [ 0.0000701500000000, 0.0003701700000000, 0.0000550400000000 ] - [ -0.0001652100000000, -0.0001792100000000, 0.0000351100000000 ] - [ -0.0005495100000000, 0.0006118000000000, 0.0001226300000000 ] - [ -0.0001001700000000, -0.0002707800000000, 0.0005493400000000 ] - [ -0.0007207800000000, 0.0006149700000000, -0.0000661400000000 ] - [ 0.0003221900000000, 0.0006482700000000, 0.0001114800000000 ] - [ -0.0004632600000000, -0.0003301800000000, -0.0007356300000000 ] - [ -0.0002387500000000, 0.0005087000000000, 0.0000879400000000 ] - [ -0.0007769200000000, -0.0002711000000000, 0.0002572700000000 ] - [ -0.0007725500000000, 0.0003358500000000, 0.0000614800000000 ] - [ -0.0002812200000000, 0.0000273200000000, -0.0000061000000000 ] - [ -0.0000110600000000, 0.0000604200000000, 0.0003958200000000 ] - [ -0.0019966200000000, 0.0000874700000000, -0.0001260100000000 ] - [ -0.0007985200000000, 0.0007690600000000, 0.0003243000000000 ] - [ -0.0002859000000000, 0.0008175900000000, 0.0006214000000000 ] - [ -0.0001791000000000, -0.0001453600000000, 0.0004409900000000 ] - [ -0.0008925300000000, -0.0001243200000000, -0.0003098800000000 ] - [ -0.0001414500000000, -0.0004468600000000, 0.0000571700000000 ] - [ -0.0005256900000000, 0.0002133100000000, 0.0005168800000000 ] - [ -0.0014809800000000, -0.0003964900000000, -0.0001845400000000 ] - [ -0.0007781500000000, -0.0001131100000000, 0.0002623100000000 ] - [ 0.0000980100000000, 0.0001838400000000, 0.0001951200000000 ] - [ 0.0004658600000000, -0.0003627000000000, -0.0002412700000000 ] - [ 0.0005666100000000, -0.0002676100000000, -0.0006733900000000 ] - [ -0.0008076400000000, -0.0000591600000000, -0.0008168500000000 ] - [ -0.0022259900000000, -0.0007192000000000, -0.0008434600000000 ] - [ -0.0031386800000000, 0.0000255900000000, -0.0014188900000000 ] - [ 0.0002550200000000, -0.0006269000000000, -0.0000901200000000 ] - [ -0.0002460700000000, 0.0005041900000000, -0.0002952300000000 ] - [ 0.0001004200000000, -0.0001187200000000, 0.0001450100000000 ] - [ -0.0006310800000000, 0.0003336000000000, 0.0015511300000000 ] - [ 0.0009535600000000, 0.0013391100000000, 0.0000660900000000 ] - [ 0.0000099600000000, -0.0000750900000000, 0.0006792100000000 ] - [ 0.0000150800000000, -0.0004601200000000, 0.0008943500000000 ] - [ 0.0001802100000000, -0.0003736900000000, 0.0002249600000000 ] - [ -0.0001251900000000, -0.0002777100000000, 0.0004953000000000 ] - [ -0.0000197600000000, 0.0000473900000000, 0.0004886400000000 ] - [ 0.0015982000000000, -0.0024601200000000, 0.0006137400000000 ] - [ 0.0018482500000000, -0.0004714500000000, 0.0003388900000000 ] - [ 0.0003373300000000, 0.0000822800000000, -0.0000875200000000 ] - [ -0.0000204800000000, -0.0000158100000000, 0.0000723300000000 ] - [ 0.0010521100000000, -0.0003003300000000, -0.0017280400000000 ] - [ -0.0004886400000000, -0.0007019200000000, 0.0000566900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005832600000000, 0.0030689700000000, -0.0002787400000000 ] - [ -0.0002397700000000, -0.0013724200000000, -0.0006382400000000 ] - [ -0.0002775500000000, -0.0003356100000000, -0.0000978100000000 ] - [ 0.0014737000000000, -0.0000594400000000, -0.0016743000000000 ] - [ 0.0001474900000000, 0.0008161200000000, 0.0004630300000000 ] - [ -0.0006490900000000, -0.0001209000000000, -0.0010867900000000 ] - [ -0.0005500700000000, -0.0003017400000000, 0.0004699200000000 ] - [ 0.0006503700000000, -0.0015954800000000, 0.0003923500000000 ] - [ -0.0003029700000000, -0.0002586900000000, 0.0003211300000000 ] - [ -0.0004896300000000, -0.0001848900000000, 0.0005870300000000 ] - [ 0.0002969400000000, 0.0001000400000000, -0.0004223400000000 ] - [ -0.0002823400000000, 0.0002823100000000, -0.0000535400000000 ] - [ 0.0000755000000000, 0.0007445500000000, -0.0000672300000000 ] - [ -0.0003072800000000, -0.0002703100000000, 0.0005285300000000 ] - [ -0.0002791300000000, 0.0002343300000000, -0.0005567000000000 ] - [ 0.0005644400000000, -0.0003651800000000, -0.0001168700000000 ] - [ 0.0000839900000000, -0.0003442600000000, -0.0002205600000000 ] - [ -0.0007123700000000, 0.0000180000000000, -0.0000276400000000 ] - [ -0.0005533300000000, 0.0000110600000000, -0.0002950000000000 ] - [ 0.0001745100000000, -0.0001655100000000, -0.0003780500000000 ] - [ 0.0006706300000000, -0.0005223500000000, 0.0006737300000000 ] - [ -0.0001679500000000, -0.0002898600000000, 0.0003226400000000 ] - [ 0.0006232300000000, 0.0032409700000000, 0.0007979100000000 ] - [ -0.0002033000000000, -0.0007587000000000, 0.0001675500000000 ] - [ -0.0006815700000000, -0.0032659800000000, 0.0004669100000000 ] - [ 0.0000087100000000, -0.0038777400000000, 0.0034714200000000 ] - [ 0.0056935800000000, 0.0042632100000000, 0.0012923900000000 ] - [ -0.0002682600000000, -0.0006818300000000, -0.0001009900000000 ] - [ -0.0002069000000000, 0.0001048400000000, 0.0004251700000000 ] - [ -0.0009866200000000, 0.0013153800000000, 0.0006424000000000 ] - [ 0.0001693900000000, -0.0000415000000000, -0.0005102900000000 ] - [ 0.0003171500000000, 0.0003814400000000, -0.0003040000000000 ] - [ 0.0020150100000000, 0.0008757800000000, -0.0004618000000000 ] - [ -0.0003185100000000, -0.0001477500000000, 0.0003774800000000 ] - [ -0.0018822300000000, -0.0012594800000000, -0.0023065300000000 ] - [ -0.0003010400000000, 0.0001712400000000, -0.0002343500000000 ] - [ -0.0103314500000000, -0.0090028300000000, 0.0060529700000000 ] - [ 0.0012334900000000, 0.0009319800000000, -0.0016102600000000 ] - [ -0.0005199900000000, 0.0014643500000000, 0.0001349800000000 ] - [ -0.0001927700000000, -0.0010686100000000, 0.0004791200000000 ] - [ -0.0040523800000000, 0.0124639800000000, 0.0043186000000000 ] - [ 0.0002749600000000, -0.0026887200000000, -0.0009999900000000 ] - [ 0.0009415000000000, -0.0009100200000000, 0.0001637100000000 ] - [ 0.0001733500000000, -0.0000766300000000, 0.0005727200000000 ] - [ -0.0005334500000000, -0.0009585400000000, -0.0006653400000000 ] - [ 0.0001424000000000, -0.0004187300000000, 0.0000045600000000 ] - [ -0.0018322300000000, 0.0031675900000000, -0.0007286100000000 ] - [ -0.0005034200000000, -0.0010152600000000, -0.0001153600000000 ] - [ 0.0001999200000000, 0.0010305900000000, -0.0002777100000000 ] - [ -0.0000043100000000, -0.0002018400000000, 0.0007546200000000 ] - [ 0.0023392800000000, -0.0064976600000000, -0.0021502100000000 ] - [ 0.0015630400000000, -0.0004472200000000, 0.0012024100000000 ] - [ -0.1404664000000000, 0.2754166800000000, -0.0185246800000000 ] - [ 0.1782341500000000, 0.1695535100000000, -0.0234917000000000 ] - [ 0.0003472000000000, -0.0005212000000000, -0.0002006800000000 ] - [ 0.0002987200000000, 0.0000579300000000, 0.0016603900000000 ] - [ 0.0004118800000000, 0.0002098200000000, 0.0003682500000000 ] - [ 0.0004526400000000, -0.0001309500000000, -0.0001396000000000 ] - [ -0.0003637600000000, -0.0002684300000000, 0.0004727700000000 ] - [ -0.0008222100000000, -0.0000639400000000, 0.0000352500000000 ] - [ 0.0000249600000000, 0.0002119900000000, 0.0005789800000000 ] - [ -0.0001295400000000, 0.0006556100000000, -0.0003383900000000 ] - [ -0.0001489400000000, 0.0003940900000000, -0.0002133300000000 ] - [ -0.0000880300000000, -0.0007834300000000, 0.0000467300000000 ] - [ 0.0001534800000000, -0.0004936200000000, -0.0001021100000000 ] - [ 0.0000437800000000, 0.0006020900000000, 0.0002194900000000 ] - [ 0.0002005500000000, -0.0000491200000000, 0.0005697700000000 ] - [ 0.0000353800000000, 0.0000137800000000, -0.0007445400000000 ] - [ 0.0006945500000000, 0.0000063100000000, -0.0000832500000000 ] - [ 0.0002323400000000, -0.0003788200000000, -0.0004485000000000 ] - [ -0.0004876800000000, 0.0002864300000000, -0.0001398500000000 ] - [ -0.0017023300000000, -0.0004788300000000, 0.0002674400000000 ] - [ 0.0000225400000000, -0.0000800500000000, -0.0007131300000000 ] - [ -0.0000223400000000, 0.0001152700000000, 0.0003187000000000 ] - [ -0.0000236400000000, -0.0007209800000000, 0.0001186400000000 ] - [ -0.0001275800000000, 0.0003508200000000, 0.0000262600000000 ] - [ -0.0407460900000000, -0.4818838800000000, 0.0526917300000000 ] - [ -0.0004824500000000, 0.0031436000000000, 0.0009622000000000 ] - [ 0.0001338700000000, -0.0013773100000000, 0.0005030000000000 ] - [ -0.0003844600000000, 0.0041904300000000, 0.0025708600000000 ] - [ -0.0008659300000000, 0.0001795400000000, -0.0019181400000000 ] - [ -0.0000064000000000, 0.0004700900000000, -0.0005057500000000 ] - [ 0.0010520200000000, 0.0043074200000000, -0.0035166900000000 ] - [ 0.0004567500000000, -0.0007079100000000, -0.0005685900000000 ] - [ -0.0103072600000000, 0.0248152600000000, -0.0110860700000000 ] - [ -0.0002497800000000, -0.0005904800000000, -0.0014992700000000 ] - [ 0.0001493100000000, 0.0008403500000000, -0.0003419600000000 ] - [ -0.0011161100000000, 0.0001322900000000, 0.0005910000000000 ] - [ -0.0001122000000000, 0.0008397700000000, -0.0002902700000000 ] - [ -0.0016269500000000, -0.0031749000000000, -0.0003448900000000 ] - [ 0.0000769500000000, -0.0011826300000000, -0.0004569000000000 ] - [ 0.0189763100000000, 0.0014097100000000, -0.0079585600000000 ] - [ -0.0002677500000000, 0.0010972400000000, 0.0004700900000000 ] - [ 0.0012738400000000, 0.0022424900000000, -0.0000163400000000 ] - [ 0.0008208200000000, 0.0006959300000000, 0.0009182000000000 ] - [ -0.0004842700000000, -0.0002444100000000, 0.0002870600000000 ] - [ -0.0005480400000000, -0.0008870400000000, 0.0003548500000000 ] - [ -0.0001405400000000, -0.0001736500000000, -0.0002774200000000 ] - [ 0.0002671900000000, 0.0005596800000000, -0.0001346200000000 ] - [ -0.0002310600000000, 0.0000837200000000, 0.0000310100000000 ] - [ 0.0001172600000000, 0.0006320200000000, -0.0004029800000000 ] - [ 0.0002807600000000, -0.0034048200000000, 0.0012099200000000 ] - [ -0.0013226700000000, 0.0001809600000000, -0.0000574100000000 ] - [ 0.0020505200000000, -0.0016438300000000, -0.0022584200000000 ] - [ -0.0002956300000000, 0.0002866000000000, -0.0004844900000000 ] - [ -0.0002120300000000, 0.0003530900000000, -0.0005277700000000 ] - [ -0.0001070900000000, 0.0007341900000000, -0.0003518600000000 ] - [ -0.0003327700000000, -0.0003515800000000, -0.0005326500000000 ] - [ 0.0004894200000000, 0.0001912000000000, 0.0003243100000000 ] - [ 0.0003796000000000, 0.0006275400000000, 0.0003696800000000 ] - [ 0.0002560000000000, -0.0000229500000000, -0.0002894900000000 ] - [ -0.0005222500000000, 0.0011371200000000, 0.0003189200000000 ] - [ 0.0000894900000000, -0.0002895700000000, 0.0004303700000000 ] - [ -0.0006426300000000, 0.0007462100000000, -0.0001474600000000 ] - [ 0.0006735800000000, 0.0002875200000000, 0.0001430600000000 ] - [ -0.0005101900000000, -0.0001849500000000, -0.0009344000000000 ] - [ 0.0004955200000000, 0.0005707800000000, -0.0003671500000000 ] - [ -0.0002932300000000, -0.0002545800000000, 0.0002897500000000 ] - [ -0.0002902700000000, 0.0003027000000000, -0.0002688400000000 ] - [ 0.0001391200000000, -0.0000785300000000, 0.0000479600000000 ] - [ 0.0003892500000000, 0.0005938400000000, 0.0003517100000000 ] - [ 0.0007758300000000, -0.0004106300000000, 0.0008834200000000 ] - [ -0.0000388300000000, 0.0003035600000000, 0.0006137700000000 ] - [ 0.0000361900000000, 0.0008341900000000, 0.0005220300000000 ] - [ 0.0002918300000000, 0.0004388100000000, 0.0005701900000000 ] - [ -0.0005070800000000, -0.0000190300000000, -0.0003578900000000 ] - [ 0.0000898700000000, 0.0001015300000000, 0.0002657100000000 ] - [ -0.0002000800000000, -0.0001263700000000, 0.0001925200000000 ] - [ 0.0003226700000000, -0.0016445200000000, -0.0004327000000000 ] - [ -0.0002797200000000, -0.0003692200000000, -0.0002321000000000 ] - [ 0.0002740600000000, 0.0005041100000000, 0.0002193000000000 ] - [ 0.0006351100000000, -0.0000621300000000, -0.0003726700000000 ] - [ 0.0014977800000000, 0.0004703300000000, -0.0007228400000000 ] - [ -0.0005224400000000, -0.0000635200000000, -0.0006477400000000 ] - [ 0.0014869100000000, -0.0008012100000000, 0.0006072800000000 ] - [ -0.0012393000000000, -0.0018131900000000, -0.0000175800000000 ] - [ 0.0008262500000000, 0.0007285500000000, 0.0001977200000000 ] - [ -0.0001836300000000, 0.0008983600000000, -0.0006219500000000 ] - [ 0.0000245300000000, 0.0006062900000000, 0.0000541800000000 ] - [ -0.0002384300000000, -0.0006379900000000, 0.0006480900000000 ] - [ -0.0009231600000000, 0.0012514000000000, 0.0004249300000000 ] - [ -0.0000266400000000, -0.0005165200000000, 0.0002862400000000 ] - [ -0.0003082100000000, -0.0007375900000000, 0.0008198300000000 ] - [ -0.0005776000000000, 0.0001583300000000, 0.0000830000000000 ] - [ 0.0002315100000000, 0.0003359000000000, 0.0002232000000000 ] - [ -0.0006811400000000, -0.0005289100000000, -0.0001020400000000 ] - [ 0.0018821000000000, 0.0018758600000000, -0.0027858300000000 ] - [ 0.0026499500000000, 0.0015997200000000, 0.0008873200000000 ] - [ 0.0001730200000000, 0.0002564300000000, 0.0005695600000000 ] - [ -0.0005295700000000, 0.0023889600000000, 0.0007511600000000 ] - [ -0.0002386400000000, 0.0007153800000000, 0.0017906500000000 ] - [ -0.0007283000000000, -0.0000212000000000, 0.0001090200000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001113100000000, -0.0039088900000000, 0.0000579000000000 ] - [ -0.0003609100000000, 0.0014596100000000, -0.0003615400000000 ] - [ 0.0001234300000000, -0.0001359100000000, 0.0009246400000000 ] - [ -0.0004821500000000, 0.0006585500000000, 0.0017545400000000 ] - [ -0.0000586900000000, 0.0001815300000000, 0.0001330000000000 ] - [ 0.0014702200000000, 0.0002751900000000, 0.0015719900000000 ] - [ -0.0002804700000000, 0.0001500100000000, 0.0000018500000000 ] - [ -0.0007384600000000, 0.0005903500000000, 0.0002094600000000 ] - [ -0.0006971200000000, -0.0003410800000000, -0.0002315900000000 ] - [ 0.0006487100000000, 0.0006612400000000, 0.0002416900000000 ] - [ 0.0003017500000000, -0.0001911800000000, -0.0005789000000000 ] - [ -0.0001863800000000, 0.0005458000000000, -0.0000994100000000 ] - [ 0.0004007200000000, 0.0000832800000000, 0.0002214500000000 ] - [ -0.0002900500000000, 0.0001795200000000, 0.0004715100000000 ] - [ 0.0001327800000000, 0.0002371200000000, -0.0002732400000000 ] - [ 0.0004369600000000, -0.0002333600000000, 0.0000280900000000 ] - [ 0.0000082800000000, -0.0006569200000000, -0.0003780200000000 ] - [ 0.0015527000000000, -0.0001672800000000, -0.0004517500000000 ] - [ -0.0002737500000000, 0.0001414800000000, -0.0001767300000000 ] - [ -0.0002618100000000, 0.0011636000000000, -0.0002228400000000 ] - [ -0.0016596600000000, 0.0011131700000000, -0.0007549600000000 ] - [ 0.0003193500000000, -0.0001803500000000, -0.0011536500000000 ] - [ -0.0000261000000000, -0.0031592600000000, 0.0002745000000000 ] - [ -0.0002697600000000, -0.0000694300000000, -0.0000137800000000 ] - [ 0.0010981300000000, 0.0021501700000000, 0.0001705200000000 ] - [ 0.0005730600000000, 0.0034729800000000, -0.0023708300000000 ] - [ -0.0045710100000000, -0.0036178500000000, -0.0017000800000000 ] - [ -0.0008399400000000, 0.0000456200000000, -0.0003260000000000 ] - [ -0.0004306400000000, 0.0003195800000000, 0.0006811000000000 ] - [ 0.0005752800000000, -0.0002172200000000, -0.0000072100000000 ] - [ 0.0002603600000000, 0.0011485400000000, -0.0001296400000000 ] - [ 0.0003227100000000, 0.0000424400000000, -0.0008008300000000 ] - [ -0.0009049900000000, -0.0015047000000000, 0.0008851400000000 ] - [ -0.0007850700000000, 0.0007868600000000, 0.0000498700000000 ] - [ 0.0012551600000000, 0.0008705500000000, 0.0012154900000000 ] - [ -0.0001240600000000, -0.0012784300000000, -0.0004019900000000 ] - [ 0.0095126700000000, 0.0096910400000000, -0.0053524500000000 ] - [ -0.0007014300000000, -0.0003885900000000, 0.0021794900000000 ] - [ -0.0003973500000000, -0.0005460500000000, -0.0010387500000000 ] - [ -0.0003089900000000, 0.0005676600000000, 0.0000185900000000 ] - [ 0.0046048300000000, -0.0120662600000000, -0.0038676000000000 ] - [ 0.0006415000000000, 0.0017830900000000, 0.0000881200000000 ] - [ -0.0014786500000000, 0.0003571300000000, 0.0003842500000000 ] - [ 0.0004994900000000, -0.0005960200000000, 0.0000934300000000 ] - [ -0.0001254700000000, 0.0002936700000000, 0.0000020100000000 ] - [ 0.0004085100000000, -0.0001247300000000, -0.0005524500000000 ] - [ 0.0009366700000000, -0.0041156600000000, 0.0016392200000000 ] - [ 0.0000125300000000, 0.0015168400000000, -0.0003829400000000 ] - [ 0.0003027400000000, -0.0015327000000000, -0.0002226100000000 ] - [ 0.0009187700000000, 0.0011140100000000, 0.0001586200000000 ] - [ -0.0028742100000000, 0.0069798400000000, 0.0015799500000000 ] - [ -0.0008962000000000, 0.0011161100000000, -0.0018677900000000 ] - [ 0.1531146900000000, -0.2924802900000000, 0.0207841800000000 ] - [ -0.1681431400000000, -0.1667769900000000, 0.0216231900000000 ] - [ 0.0001185200000000, 0.0002310500000000, -0.0007126000000000 ] - [ -0.0003444200000000, -0.0002505700000000, -0.0002049400000000 ] - [ 0.0010360900000000, -0.0001637500000000, -0.0001747900000000 ] - [ 0.0004588700000000, 0.0005952400000000, 0.0004291700000000 ] - [ -0.0005527000000000, -0.0001962000000000, -0.0001899600000000 ] - [ -0.0006317800000000, 0.0000191800000000, 0.0001583400000000 ] - [ 0.0000212200000000, -0.0000191000000000, 0.0008724300000000 ] - [ -0.0003336900000000, -0.0003717900000000, -0.0005786000000000 ] - [ -0.0001407400000000, 0.0005191600000000, -0.0002529500000000 ] - [ -0.0001055400000000, -0.0006699000000000, -0.0000017900000000 ] - [ 0.0000406000000000, -0.0009594600000000, 0.0000571200000000 ] - [ 0.0002471900000000, 0.0003106300000000, 0.0002468300000000 ] - [ 0.0002663700000000, 0.0003386500000000, 0.0003439800000000 ] - [ -0.0000787300000000, 0.0001786500000000, -0.0007094400000000 ] - [ 0.0007600800000000, -0.0000515900000000, -0.0001096800000000 ] - [ 0.0006832600000000, -0.0000871700000000, 0.0001600100000000 ] - [ -0.0004261800000000, 0.0001788400000000, -0.0001491100000000 ] - [ 0.0002493700000000, 0.0005246900000000, -0.0004600800000000 ] - [ 0.0000222600000000, -0.0001136600000000, -0.0007405400000000 ] - [ -0.0004426000000000, -0.0004037400000000, 0.0005941500000000 ] - [ -0.0002656800000000, -0.0001923100000000, 0.0003480900000000 ] - [ -0.0000654800000000, 0.0011023400000000, -0.0000704200000000 ] - [ 0.0197863700000000, 0.4956772700000000, -0.0537896400000000 ] - [ 0.0002875700000000, -0.0025273800000000, 0.0001037900000000 ] - [ 0.0004634800000000, 0.0002985900000000, -0.0002802500000000 ] - [ 0.0001126700000000, -0.0038660900000000, -0.0028152300000000 ] - [ 0.0001197500000000, -0.0009592600000000, 0.0021507700000000 ] - [ 0.0000790100000000, -0.0003997000000000, 0.0004361100000000 ] - [ -0.0002375500000000, -0.0045144300000000, 0.0027361800000000 ] - [ 0.0001005500000000, 0.0002113500000000, -0.0004852500000000 ] - [ 0.0106854800000000, -0.0256009700000000, 0.0102818500000000 ] - [ 0.0004272500000000, -0.0006978800000000, 0.0002568500000000 ] - [ 0.0002359400000000, -0.0008136900000000, -0.0004033300000000 ] - [ 0.0000413600000000, 0.0000978600000000, 0.0000052000000000 ] - [ 0.0001383100000000, -0.0000951000000000, -0.0000915100000000 ] - [ 0.0012411400000000, 0.0028048300000000, -0.0000288700000000 ] - [ 0.0004148500000000, 0.0022347800000000, 0.0009988000000000 ] - [ -0.0198284500000000, -0.0018364700000000, 0.0079883200000000 ] - [ 0.0005783700000000, -0.0014069500000000, -0.0007796100000000 ] - [ -0.0002390900000000, -0.0017145800000000, 0.0005230800000000 ] - [ 0.0004245800000000, -0.0005190200000000, 0.0003689600000000 ] - [ -0.0007534600000000, 0.0000662100000000, 0.0010116500000000 ] - [ -0.0004981200000000, 0.0003337100000000, 0.0001420300000000 ] - [ -0.0001676600000000, 0.0004805400000000, -0.0000324300000000 ] - [ 0.0004821600000000, -0.0001857000000000, 0.0001029500000000 ] - [ -0.0002607000000000, -0.0011446300000000, 0.0005264200000000 ] - [ 0.0002682300000000, -0.0002466000000000, 0.0000176800000000 ] - [ -0.0003135900000000, 0.0026707900000000, -0.0015957500000000 ] - [ 0.0023971900000000, -0.0004094100000000, 0.0006522300000000 ] - [ -0.0024470500000000, 0.0016201400000000, 0.0015271400000000 ] - [ 0.0001151500000000, 0.0010078800000000, -0.0007543200000000 ] - [ -0.0000063100000000, 0.0004121900000000, -0.0002660800000000 ] - [ -0.0004478300000000, -0.0002421300000000, -0.0006999500000000 ] - [ -0.0004560700000000, 0.0005842700000000, -0.0002239900000000 ] - [ -0.0005636900000000, -0.0002630100000000, -0.0003973400000000 ] - [ 0.0003835300000000, 0.0001569200000000, -0.0001460700000000 ] - [ 0.0000259000000000, -0.0002628400000000, 0.0000068100000000 ] - [ -0.0000747600000000, -0.0000544700000000, -0.0000927000000000 ] - [ 0.0001311800000000, -0.0003036500000000, 0.0006501900000000 ] - [ -0.0006467900000000, 0.0004943100000000, -0.0000275600000000 ] - [ 0.0006152800000000, 0.0009538600000000, 0.0000318900000000 ] - [ 0.0002843300000000, -0.0004075900000000, -0.0001499700000000 ] - [ 0.0000896800000000, 0.0005039300000000, 0.0001537800000000 ] - [ 0.0000042200000000, -0.0000299400000000, -0.0000043900000000 ] - [ -0.0004750300000000, 0.0004845700000000, 0.0000449700000000 ] - [ -0.0000727300000000, 0.0000103000000000, 0.0000198400000000 ] - [ 0.0003957700000000, -0.0003749100000000, 0.0004138700000000 ] - [ -0.0002414000000000, 0.0009139400000000, 0.0001567100000000 ] - [ 0.0002617000000000, 0.0004573700000000, 0.0001673700000000 ] - [ 0.0001364400000000, 0.0004541100000000, 0.0007200300000000 ] - [ 0.0000812700000000, -0.0004691200000000, 0.0001789400000000 ] - [ -0.0005781200000000, -0.0002107000000000, -0.0002381500000000 ] - [ -0.0000660400000000, -0.0008507600000000, 0.0001118100000000 ] - [ -0.0001871300000000, 0.0005118600000000, 0.0001936600000000 ] - [ 0.0001803500000000, 0.0006090000000000, -0.0001100000000000 ] - [ -0.0004699000000000, 0.0007464000000000, 0.0002658200000000 ] - [ 0.0000323300000000, -0.0001959500000000, 0.0000892400000000 ] - [ 0.0004115200000000, -0.0004918700000000, -0.0001244600000000 ] - [ -0.0002582000000000, -0.0006495100000000, -0.0005654100000000 ] - [ -0.0007211700000000, 0.0002389900000000, -0.0006441700000000 ] - [ -0.0025671800000000, 0.0013567600000000, -0.0011140300000000 ] - [ 0.0009352300000000, 0.0015041100000000, 0.0003331800000000 ] - [ -0.0000811200000000, -0.0011095700000000, -0.0001680400000000 ] - [ -0.0003128700000000, 0.0001531300000000, 0.0000672400000000 ] - [ 0.0003579000000000, -0.0009915500000000, 0.0003308200000000 ] - [ 0.0002015000000000, 0.0013872900000000, -0.0002775400000000 ] - [ 0.0019871200000000, -0.0010285500000000, -0.0010054000000000 ] - [ -0.0003530100000000, 0.0005471400000000, 0.0004608100000000 ] - [ 0.0001307000000000, -0.0005551200000000, 0.0004241800000000 ] - [ 0.0003566100000000, -0.0009226500000000, 0.0007071700000000 ] - [ -0.0007869200000000, -0.0008298900000000, 0.0008330100000000 ] - [ -0.0001089900000000, 0.0003036400000000, 0.0008648700000000 ] - [ -0.0019358900000000, -0.0018493400000000, 0.0028838800000000 ] - [ -0.0018675900000000, -0.0023925700000000, -0.0011035400000000 ] - [ 0.0001140100000000, 0.0000269700000000, -0.0002910900000000 ] - [ -0.0000700400000000, -0.0034606000000000, -0.0009798500000000 ] - [ 0.0004687200000000, -0.0001358300000000, -0.0029014900000000 ] - [ -0.0005608100000000, -0.0012216300000000, 0.0000658300000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011066500000000, -0.0004527300000000, 0.0060264900000000 ] - [ -0.0003477000000000, 0.0001891200000000, -0.0001617300000000 ] - [ -0.0000919800000000, -0.0005013300000000, -0.0001496300000000 ] - [ 0.0006768100000000, -0.0005887400000000, 0.0007723900000000 ] - [ 0.0002808900000000, 0.0004313300000000, -0.0006229000000000 ] - [ -0.0004971300000000, -0.0005391100000000, 0.0009997100000000 ] - [ -0.0002985600000000, 0.0000845900000000, 0.0000281800000000 ] - [ -0.0002924000000000, -0.0002878900000000, 0.0003873900000000 ] - [ -0.0006556000000000, -0.0000927300000000, -0.0001618300000000 ] - [ 0.0003125000000000, 0.0005248000000000, 0.0004608100000000 ] - [ 0.0002004600000000, -0.0000740100000000, -0.0007288200000000 ] - [ -0.0002136100000000, 0.0004158500000000, -0.0001126200000000 ] - [ 0.0003040600000000, 0.0003941800000000, 0.0004198400000000 ] - [ -0.0003051500000000, -0.0000248600000000, 0.0004622100000000 ] - [ -0.0000801100000000, 0.0000780900000000, -0.0003062600000000 ] - [ 0.0005991800000000, -0.0003774300000000, -0.0001752300000000 ] - [ -0.0001250800000000, -0.0004458200000000, -0.0007820600000000 ] - [ 0.0010214000000000, 0.0000240100000000, 0.0001122700000000 ] - [ -0.0005225700000000, -0.0000112700000000, -0.0003634800000000 ] - [ 0.0001193200000000, 0.0004700600000000, -0.0002360900000000 ] - [ -0.0007572400000000, 0.0008932000000000, 0.0002914400000000 ] - [ 0.0001566100000000, -0.0000471600000000, -0.0010739900000000 ] - [ -0.0002619200000000, 0.0003330300000000, 0.0046502400000000 ] - [ -0.0002463000000000, -0.0004253000000000, -0.0001298500000000 ] - [ 0.0003409900000000, -0.0002900700000000, -0.0001566400000000 ] - [ 0.0000701700000000, 0.0020520800000000, 0.0007092000000000 ] - [ -0.0025175900000000, 0.0009589600000000, 0.0009455400000000 ] - [ -0.0003890700000000, -0.0006648700000000, -0.0006093500000000 ] - [ -0.0007652100000000, -0.0001150800000000, 0.0002876500000000 ] - [ 0.0002482700000000, 0.0003618200000000, -0.0001936900000000 ] - [ 0.0002504900000000, 0.0006162700000000, -0.0000361700000000 ] - [ 0.0004833400000000, 0.0003136000000000, -0.0009016800000000 ] - [ 0.0016418900000000, -0.0005006400000000, 0.0008759000000000 ] - [ -0.0007382500000000, 0.0005382500000000, -0.0000257300000000 ] - [ -0.0006845700000000, -0.0014725000000000, 0.0006837100000000 ] - [ -0.0000521700000000, -0.0003512600000000, -0.0019182900000000 ] - [ 0.0005311300000000, 0.0044039100000000, 0.0012045400000000 ] - [ 0.0006605100000000, -0.0004930900000000, -0.0018000000000000 ] - [ -0.0010440500000000, -0.0009453500000000, -0.0035591800000000 ] - [ -0.0004038300000000, -0.0003523000000000, -0.0003360100000000 ] - [ 0.0063516800000000, 0.0004865500000000, 0.0029806200000000 ] - [ 0.0005866400000000, 0.0001471400000000, -0.0000766100000000 ] - [ -0.0008577600000000, -0.0001281500000000, 0.0005631400000000 ] - [ 0.0005814200000000, -0.0005877600000000, -0.0003020000000000 ] - [ -0.0001482200000000, -0.0002611300000000, 0.0001870000000000 ] - [ 0.0003073000000000, -0.0000353800000000, -0.0009447500000000 ] - [ -0.0022913200000000, -0.0016413800000000, 0.0031530900000000 ] - [ -0.0002630400000000, 0.0001448500000000, 0.0001853500000000 ] - [ 0.0010567800000000, 0.0004571600000000, -0.0017668800000000 ] - [ 0.0006998100000000, 0.0005665200000000, -0.0001022200000000 ] - [ 0.0011734700000000, -0.0017311200000000, 0.0034272100000000 ] - [ -0.0008512000000000, 0.0012421600000000, -0.0021286000000000 ] - [ 0.0101470700000000, -0.0219027300000000, 0.0154148700000000 ] - [ -0.0299228000000000, -0.0241080600000000, 0.0173249100000000 ] - [ 0.0002141200000000, -0.0000109600000000, -0.0007093400000000 ] - [ -0.0001756400000000, -0.0000697400000000, 0.0004220400000000 ] - [ 0.0010080600000000, 0.0001176000000000, -0.0001807000000000 ] - [ 0.0003232000000000, 0.0001254700000000, 0.0001163000000000 ] - [ -0.0004495200000000, -0.0000230100000000, -0.0000869300000000 ] - [ -0.0008043000000000, -0.0000043600000000, 0.0000887600000000 ] - [ 0.0002303600000000, -0.0000193300000000, 0.0006650500000000 ] - [ -0.0001346900000000, -0.0000465200000000, -0.0003247200000000 ] - [ -0.0002191700000000, 0.0004290400000000, -0.0002905400000000 ] - [ -0.0000676400000000, -0.0008049800000000, -0.0000350100000000 ] - [ 0.0001051900000000, -0.0007872700000000, 0.0000208400000000 ] - [ 0.0002376200000000, 0.0004411200000000, 0.0002747000000000 ] - [ 0.0002365200000000, 0.0001867400000000, 0.0004368800000000 ] - [ -0.0000113000000000, 0.0001420300000000, -0.0005501600000000 ] - [ 0.0006488700000000, -0.0000324500000000, -0.0001666600000000 ] - [ 0.0005749600000000, -0.0002253200000000, 0.0000512800000000 ] - [ -0.0003444200000000, 0.0003298100000000, -0.0005043700000000 ] - [ -0.0004702600000000, 0.0001375800000000, -0.0000718000000000 ] - [ -0.0000833800000000, 0.0000469800000000, -0.0012033700000000 ] - [ -0.0001629900000000, -0.0004598500000000, 0.0001647200000000 ] - [ -0.0002199800000000, -0.0005131600000000, 0.0002821200000000 ] - [ -0.0000874800000000, 0.0008412200000000, 0.0000184800000000 ] - [ 0.0244013700000000, 0.0520145900000000, -0.0489168000000000 ] - [ 0.0002509100000000, -0.0000881600000000, -0.0012086100000000 ] - [ 0.0002473900000000, -0.0004120300000000, 0.0013821000000000 ] - [ -0.0006634100000000, 0.0039485900000000, -0.0002401500000000 ] - [ -0.0001875000000000, -0.0019678700000000, 0.0016189900000000 ] - [ 0.0000386800000000, -0.0003410400000000, 0.0006956800000000 ] - [ 0.0006897900000000, -0.0010776800000000, 0.0000477500000000 ] - [ 0.0001095700000000, -0.0000385600000000, 0.0008298900000000 ] - [ 0.0029543700000000, -0.0073209700000000, -0.0030173900000000 ] - [ 0.0001933100000000, -0.0008241700000000, -0.0000615800000000 ] - [ 0.0004465900000000, 0.0001073000000000, -0.0000195600000000 ] - [ -0.0009625400000000, 0.0005495900000000, 0.0007362700000000 ] - [ 0.0000227000000000, 0.0004421800000000, 0.0002889300000000 ] - [ -0.0057940300000000, 0.0003152200000000, 0.0016061500000000 ] - [ 0.0028559100000000, 0.0008190000000000, 0.0031360500000000 ] - [ -0.0069294300000000, -0.0038159600000000, -0.0026731400000000 ] - [ 0.0002966900000000, -0.0003933900000000, -0.0005231000000000 ] - [ 0.0003168300000000, -0.0004345000000000, 0.0002057000000000 ] - [ 0.0008408900000000, 0.0001348800000000, 0.0005387500000000 ] - [ -0.0008245900000000, -0.0003184200000000, 0.0011332500000000 ] - [ -0.0000359700000000, 0.0006193200000000, 0.0006912800000000 ] - [ 0.0003472700000000, -0.0000363800000000, 0.0010598200000000 ] - [ 0.0004525100000000, 0.0002527300000000, 0.0002364000000000 ] - [ -0.0003147600000000, -0.0005850600000000, 0.0003047000000000 ] - [ 0.0002849600000000, 0.0001450800000000, -0.0000188000000000 ] - [ -0.0004872300000000, 0.0006197300000000, -0.0023563700000000 ] - [ 0.0012439200000000, -0.0003525500000000, 0.0001594700000000 ] - [ -0.0015564500000000, -0.0005507300000000, -0.0000779600000000 ] - [ -0.0003182400000000, 0.0009230900000000, -0.0007751000000000 ] - [ -0.0001557300000000, 0.0004812500000000, -0.0001126600000000 ] - [ -0.0004275800000000, 0.0001217700000000, -0.0006925600000000 ] - [ -0.0006949500000000, 0.0004807600000000, 0.0000575400000000 ] - [ -0.0002220400000000, -0.0001687500000000, -0.0004487600000000 ] - [ 0.0005035500000000, 0.0003791600000000, -0.0000420500000000 ] - [ 0.0000482000000000, -0.0002380100000000, 0.0000590500000000 ] - [ -0.0001621500000000, 0.0003555300000000, -0.0000692600000000 ] - [ 0.0002755300000000, -0.0002740300000000, 0.0009944800000000 ] - [ -0.0006205200000000, 0.0006806900000000, 0.0000285000000000 ] - [ 0.0006666300000000, 0.0006762700000000, -0.0000154200000000 ] - [ -0.0000029200000000, -0.0003602400000000, -0.0004901200000000 ] - [ 0.0002169600000000, 0.0003017100000000, 0.0003216200000000 ] - [ -0.0000386100000000, -0.0000365000000000, -0.0001386000000000 ] - [ -0.0005027300000000, 0.0003662000000000, 0.0003279800000000 ] - [ -0.0000252800000000, 0.0000749900000000, 0.0001654100000000 ] - [ 0.0003246500000000, 0.0000980700000000, 0.0001522100000000 ] - [ 0.0005912000000000, 0.0005526100000000, 0.0001849800000000 ] - [ -0.0001939500000000, 0.0005168400000000, 0.0002016100000000 ] - [ 0.0001018600000000, 0.0004999200000000, 0.0004705100000000 ] - [ 0.0001819000000000, -0.0000211200000000, 0.0001180500000000 ] - [ -0.0005129100000000, -0.0001548400000000, -0.0000753700000000 ] - [ 0.0000310300000000, -0.0004278200000000, 0.0001048800000000 ] - [ -0.0004857300000000, 0.0002238500000000, 0.0007711400000000 ] - [ 0.0001440000000000, -0.0006804200000000, -0.0016183100000000 ] - [ -0.0007198500000000, -0.0000584400000000, 0.0002724900000000 ] - [ 0.0000896300000000, 0.0001642600000000, 0.0002914900000000 ] - [ 0.0004757800000000, -0.0003265400000000, -0.0000291200000000 ] - [ 0.0002831100000000, -0.0001938800000000, -0.0008026400000000 ] - [ -0.0005719200000000, 0.0001016200000000, -0.0002689700000000 ] - [ -0.0002984300000000, 0.0008362200000000, -0.0009869900000000 ] - [ 0.0026654600000000, -0.0000090800000000, -0.0000123700000000 ] - [ 0.0005232500000000, 0.0000837200000000, -0.0001807000000000 ] - [ -0.0002343400000000, 0.0003788300000000, 0.0001309300000000 ] - [ 0.0001069700000000, -0.0001910400000000, -0.0000884700000000 ] - [ -0.0014390100000000, 0.0004635800000000, 0.0012779600000000 ] - [ 0.0000201600000000, 0.0003340500000000, -0.0009663600000000 ] - [ -0.0002044600000000, -0.0001135800000000, 0.0011857500000000 ] - [ -0.0001347000000000, -0.0005049800000000, 0.0012290000000000 ] - [ 0.0003001200000000, -0.0007855200000000, 0.0005946300000000 ] - [ -0.0005726600000000, -0.0003580200000000, 0.0009126500000000 ] - [ -0.0001582900000000, -0.0000472200000000, 0.0013107500000000 ] - [ -0.0006143300000000, -0.0030439100000000, 0.0004412200000000 ] - [ -0.0004608000000000, -0.0009568000000000, -0.0015280300000000 ] - [ 0.0003906200000000, 0.0005120300000000, 0.0009202600000000 ] - [ -0.0006099100000000, -0.0000133300000000, -0.0005802000000000 ] - [ 0.0001852100000000, 0.0021104400000000, 0.0007296300000000 ] - [ -0.0006140800000000, -0.0006430800000000, 0.0000006400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006451600000000, -0.0003563200000000, -0.0055188200000000 ] - [ -0.0002498100000000, -0.0000998000000000, -0.0008392400000000 ] - [ -0.0000601100000000, 0.0000292900000000, 0.0009811300000000 ] - [ 0.0003235200000000, 0.0011901000000000, -0.0006895900000000 ] - [ -0.0001908300000000, 0.0005696800000000, 0.0012228900000000 ] - [ 0.0013223900000000, 0.0006854000000000, -0.0005205900000000 ] - [ -0.0005309000000000, -0.0002377600000000, 0.0004431000000000 ] - [ 0.0002040600000000, -0.0007153400000000, 0.0002123400000000 ] - [ -0.0003451700000000, -0.0005020100000000, 0.0002521300000000 ] - [ -0.0001570400000000, -0.0000527700000000, 0.0003687700000000 ] - [ 0.0003946300000000, -0.0000183100000000, -0.0002726300000000 ] - [ -0.0002550200000000, 0.0004120700000000, -0.0000404300000000 ] - [ 0.0001655300000000, 0.0004347500000000, -0.0002647800000000 ] - [ -0.0002919400000000, -0.0000668000000000, 0.0005384200000000 ] - [ -0.0000725500000000, 0.0003914000000000, -0.0005237700000000 ] - [ 0.0004015200000000, -0.0002197600000000, 0.0000858900000000 ] - [ 0.0002180800000000, -0.0005548700000000, 0.0001830200000000 ] - [ -0.0001907500000000, -0.0001735300000000, -0.0005843000000000 ] - [ -0.0003062100000000, 0.0001645900000000, -0.0001079000000000 ] - [ -0.0002102700000000, 0.0005298900000000, -0.0003627600000000 ] - [ -0.0002407300000000, -0.0002970400000000, -0.0003778800000000 ] - [ -0.0000041900000000, -0.0004215500000000, 0.0002453900000000 ] - [ 0.0008227100000000, -0.0002678800000000, -0.0042349400000000 ] - [ -0.0002242600000000, -0.0004035100000000, 0.0002841500000000 ] - [ 0.0000783200000000, -0.0008221500000000, 0.0007988000000000 ] - [ 0.0005457500000000, -0.0024692500000000, 0.0003907200000000 ] - [ 0.0036257500000000, -0.0002917300000000, -0.0013577200000000 ] - [ -0.0007179400000000, 0.0000295600000000, 0.0001841700000000 ] - [ 0.0001264800000000, 0.0005355800000000, 0.0008190000000000 ] - [ -0.0006719200000000, 0.0007413400000000, 0.0008301600000000 ] - [ 0.0001749200000000, 0.0004901800000000, -0.0006018200000000 ] - [ 0.0001543500000000, 0.0001100800000000, -0.0002029000000000 ] - [ -0.0005364400000000, -0.0001380400000000, -0.0004518400000000 ] - [ -0.0003668100000000, 0.0000986100000000, 0.0004513200000000 ] - [ 0.0000457500000000, 0.0010501900000000, -0.0017920300000000 ] - [ -0.0003665800000000, -0.0007541400000000, 0.0012799700000000 ] - [ -0.0012717100000000, -0.0037435500000000, -0.0005120400000000 ] - [ -0.0001163500000000, 0.0010473500000000, 0.0023453800000000 ] - [ 0.0001328800000000, 0.0018442000000000, 0.0026371200000000 ] - [ -0.0000969000000000, -0.0001517400000000, 0.0008412200000000 ] - [ -0.0058564200000000, -0.0000709000000000, -0.0025151900000000 ] - [ 0.0003259400000000, -0.0010550300000000, -0.0008341000000000 ] - [ 0.0003165600000000, -0.0004158000000000, -0.0000190600000000 ] - [ 0.0000864300000000, -0.0000803600000000, 0.0009700800000000 ] - [ -0.0005181100000000, -0.0004061800000000, -0.0008524500000000 ] - [ 0.0002389900000000, -0.0005094700000000, 0.0003970500000000 ] - [ 0.0013796200000000, 0.0007307800000000, -0.0022312300000000 ] - [ -0.0002390800000000, 0.0003574300000000, -0.0006874400000000 ] - [ -0.0005524100000000, -0.0009588800000000, 0.0012659800000000 ] - [ 0.0002092800000000, 0.0003444800000000, 0.0010139700000000 ] - [ -0.0017173700000000, 0.0022716400000000, -0.0039846200000000 ] - [ 0.0015230700000000, -0.0005774200000000, 0.0014626400000000 ] - [ -0.0119602200000000, 0.0257865800000000, -0.0160776900000000 ] - [ 0.0275310600000000, 0.0218294200000000, -0.0167200600000000 ] - [ 0.0002517700000000, -0.0002783900000000, -0.0002039900000000 ] - [ 0.0001320300000000, -0.0001216200000000, 0.0010359600000000 ] - [ 0.0004435500000000, -0.0000741000000000, 0.0003746800000000 ] - [ 0.0005903800000000, 0.0003402300000000, 0.0001740200000000 ] - [ -0.0004662900000000, -0.0004432600000000, 0.0003743100000000 ] - [ -0.0006484300000000, -0.0000405200000000, 0.0001054200000000 ] - [ -0.0001868800000000, 0.0002136400000000, 0.0007876600000000 ] - [ -0.0003314200000000, 0.0003359900000000, -0.0005896700000000 ] - [ -0.0000702300000000, 0.0004845800000000, -0.0001751500000000 ] - [ -0.0001253800000000, -0.0006482400000000, 0.0000800300000000 ] - [ 0.0000880600000000, -0.0006664900000000, -0.0000646100000000 ] - [ 0.0000520800000000, 0.0004730000000000, 0.0001920700000000 ] - [ 0.0002296100000000, 0.0001026600000000, 0.0004777000000000 ] - [ -0.0000330100000000, 0.0000508900000000, -0.0009030400000000 ] - [ 0.0008054200000000, -0.0000120800000000, -0.0000258200000000 ] - [ 0.0003389100000000, -0.0002408800000000, -0.0003401800000000 ] - [ -0.0005692500000000, 0.0001365700000000, 0.0002158200000000 ] - [ -0.0009856000000000, -0.0000935100000000, -0.0001196000000000 ] - [ 0.0001283900000000, -0.0002406500000000, -0.0002493200000000 ] - [ -0.0003028300000000, 0.0001705800000000, 0.0007501200000000 ] - [ -0.0000690900000000, -0.0004007400000000, 0.0001842200000000 ] - [ -0.0001059300000000, 0.0006112200000000, -0.0000625600000000 ] - [ -0.0182965900000000, -0.0543448800000000, 0.0482519500000000 ] - [ -0.0004588000000000, 0.0006829600000000, 0.0022966300000000 ] - [ 0.0003392400000000, -0.0006844200000000, -0.0011690400000000 ] - [ 0.0003689200000000, -0.0036547300000000, -0.0000519700000000 ] - [ -0.0005784200000000, 0.0012003400000000, -0.0013937800000000 ] - [ 0.0000221500000000, 0.0004036700000000, -0.0007558900000000 ] - [ 0.0000960700000000, 0.0008682300000000, -0.0008303700000000 ] - [ 0.0004503400000000, -0.0004658600000000, -0.0018662200000000 ] - [ -0.0027201900000000, 0.0066465800000000, 0.0021765200000000 ] - [ -0.0000180400000000, -0.0004588800000000, -0.0011811400000000 ] - [ -0.0000716200000000, -0.0000663400000000, -0.0007251800000000 ] - [ -0.0001253700000000, -0.0003388400000000, -0.0001490200000000 ] - [ 0.0000201500000000, 0.0003006300000000, -0.0006635800000000 ] - [ 0.0054746500000000, -0.0006952500000000, -0.0020047700000000 ] - [ -0.0023226300000000, 0.0002115800000000, -0.0025588900000000 ] - [ 0.0061028600000000, 0.0034247000000000, 0.0027041200000000 ] - [ 0.0000154300000000, 0.0000816300000000, 0.0002116100000000 ] - [ 0.0007205600000000, 0.0009875500000000, 0.0003052200000000 ] - [ 0.0004004500000000, 0.0000423100000000, 0.0007406500000000 ] - [ -0.0004141000000000, 0.0001435900000000, 0.0001512500000000 ] - [ -0.0010021900000000, -0.0011705800000000, -0.0001825000000000 ] - [ -0.0006569800000000, 0.0003477800000000, -0.0013661400000000 ] - [ 0.0002903100000000, 0.0001232600000000, -0.0002774300000000 ] - [ -0.0001931600000000, -0.0004559500000000, 0.0002577200000000 ] - [ 0.0000923400000000, 0.0002334900000000, -0.0003593200000000 ] - [ 0.0004401200000000, -0.0013594200000000, 0.0019897600000000 ] - [ -0.0001646600000000, 0.0001462900000000, 0.0004191300000000 ] - [ 0.0011739500000000, 0.0005247600000000, -0.0006531300000000 ] - [ 0.0001432500000000, 0.0003571000000000, -0.0004633500000000 ] - [ -0.0000695600000000, 0.0002861600000000, -0.0006635100000000 ] - [ -0.0001300400000000, 0.0003885200000000, -0.0003398000000000 ] - [ -0.0000838000000000, -0.0002570900000000, -0.0008240900000000 ] - [ 0.0001568500000000, 0.0001054100000000, 0.0003832700000000 ] - [ 0.0002645400000000, 0.0003995900000000, 0.0002674900000000 ] - [ 0.0002441300000000, -0.0000539100000000, -0.0003493500000000 ] - [ -0.0004214700000000, 0.0007318400000000, 0.0002767800000000 ] - [ -0.0000613100000000, -0.0003113900000000, 0.0000970400000000 ] - [ -0.0006607200000000, 0.0005599600000000, -0.0002028400000000 ] - [ 0.0006139900000000, 0.0005644200000000, 0.0001910100000000 ] - [ -0.0002148100000000, -0.0002268900000000, -0.0006016600000000 ] - [ 0.0003706500000000, 0.0007889600000000, -0.0005359600000000 ] - [ -0.0002534900000000, -0.0002554500000000, 0.0004304200000000 ] - [ -0.0002657600000000, 0.0004118600000000, -0.0005524000000000 ] - [ 0.0000862800000000, -0.0001361800000000, -0.0001029800000000 ] - [ 0.0004479800000000, 0.0001332900000000, 0.0006137600000000 ] - [ -0.0000318500000000, -0.0000470000000000, 0.0008570100000000 ] - [ 0.0004225400000000, 0.0002498600000000, 0.0005736000000000 ] - [ 0.0000736400000000, 0.0007834500000000, 0.0007713500000000 ] - [ 0.0001873600000000, -0.0000244500000000, 0.0006285400000000 ] - [ -0.0005762000000000, -0.0000569100000000, -0.0005098900000000 ] - [ 0.0000130300000000, -0.0003144700000000, 0.0002700000000000 ] - [ 0.0001078100000000, 0.0001535100000000, -0.0003935200000000 ] - [ 0.0003621500000000, -0.0003567200000000, 0.0010611800000000 ] - [ -0.0000239300000000, 0.0004316800000000, -0.0002322400000000 ] - [ 0.0002238600000000, 0.0001490700000000, 0.0000233200000000 ] - [ 0.0005642600000000, -0.0002334600000000, -0.0004788200000000 ] - [ 0.0009602500000000, 0.0000177100000000, -0.0004804400000000 ] - [ -0.0006702500000000, 0.0000739500000000, -0.0010119800000000 ] - [ -0.0007405200000000, -0.0002778500000000, 0.0004778900000000 ] - [ -0.0029774100000000, -0.0003059300000000, 0.0003270600000000 ] - [ 0.0002193000000000, -0.0004576400000000, 0.0002237000000000 ] - [ -0.0002752600000000, 0.0006586400000000, -0.0006899500000000 ] - [ 0.0002704200000000, -0.0001867600000000, 0.0004667700000000 ] - [ 0.0013928100000000, 0.0002819300000000, -0.0009076600000000 ] - [ 0.0010663400000000, -0.0001229900000000, 0.0003854200000000 ] - [ -0.0001724500000000, 0.0001536000000000, -0.0004430000000000 ] - [ -0.0000418300000000, -0.0007760800000000, 0.0000125700000000 ] - [ -0.0005286100000000, 0.0000193500000000, 0.0001802900000000 ] - [ 0.0000136900000000, -0.0001486000000000, 0.0001266700000000 ] - [ -0.0006213700000000, -0.0001761600000000, -0.0005422100000000 ] - [ 0.0005597100000000, 0.0030914100000000, -0.0003828700000000 ] - [ 0.0012398400000000, 0.0001836300000000, 0.0013059200000000 ] - [ -0.0000983100000000, -0.0002216800000000, -0.0006286400000000 ] - [ 0.0000222800000000, -0.0010731900000000, 0.0003651200000000 ] - [ 0.0000257900000000, -0.0015314600000000, -0.0018166000000000 ] - [ -0.0006688100000000, -0.0005984000000000, 0.0001763600000000 ]- atom: 78 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009543900000000, -0.0004237600000000, -0.0000436800000000 ] - [ 0.0029522800000000, -0.0004754200000000, -0.0011646900000000 ] - [ 0.0001774900000000, -0.0004336800000000, 0.0005615100000000 ] - [ 0.0008077200000000, 0.0001849900000000, 0.0000224200000000 ] - [ -0.0000079900000000, 0.0007178000000000, 0.0006491600000000 ] - [ -0.0005758700000000, 0.0007266600000000, -0.0014397500000000 ] - [ -0.0006392900000000, -0.0000706000000000, 0.0013623100000000 ] - [ -0.0000908700000000, -0.0009076900000000, -0.0002525200000000 ] - [ -0.0005420500000000, -0.0002746000000000, 0.0000900100000000 ] - [ -0.0014049800000000, 0.0004139700000000, 0.0002156900000000 ] - [ 0.0000532500000000, -0.0000642500000000, -0.0003230400000000 ] - [ -0.0009357900000000, 0.0004023200000000, 0.0000346100000000 ] - [ -0.0005708200000000, 0.0002384800000000, -0.0001414600000000 ] - [ -0.0005798500000000, 0.0000414400000000, 0.0005571500000000 ] - [ -0.0005040800000000, 0.0003090400000000, -0.0005097000000000 ] - [ 0.0002288500000000, -0.0002804000000000, 0.0005469400000000 ] - [ 0.0000656700000000, -0.0004703500000000, -0.0004883900000000 ] - [ 0.0003899000000000, -0.0002574400000000, -0.0001638400000000 ] - [ -0.0004324600000000, 0.0001777600000000, -0.0003193000000000 ] - [ -0.0010684000000000, 0.0021610000000000, 0.0003167000000000 ] - [ 0.0024104300000000, 0.0007439600000000, -0.0018384900000000 ] - [ 0.0002375700000000, -0.0001474700000000, -0.0003131500000000 ] - [ 0.0012893600000000, 0.0002512000000000, 0.0003499100000000 ] - [ 0.0001029800000000, -0.0005178900000000, 0.0003065000000000 ] - [ 0.0021281000000000, 0.0010423700000000, 0.0021004500000000 ] - [ 0.0578677200000000, -0.0224865200000000, -0.0352729900000000 ] - [ 0.0009787600000000, 0.0010522200000000, -0.0010426000000000 ] - [ -0.0003108500000000, -0.0009638100000000, 0.0007487600000000 ] - [ -0.0007549600000000, 0.0001368100000000, 0.0007511000000000 ] - [ -0.0015798600000000, 0.0010046400000000, 0.0004485400000000 ] - [ -0.0016460800000000, 0.0005084300000000, -0.0009959300000000 ] - [ -0.0001308000000000, 0.0001707100000000, -0.0003732500000000 ] - [ -0.0034840100000000, -0.0063087000000000, 0.0024650100000000 ] - [ -0.0003853000000000, -0.0000627900000000, -0.0001857000000000 ] - [ 0.0004494900000000, 0.0000747800000000, -0.0006816200000000 ] - [ 0.0003325800000000, -0.0002250500000000, 0.0001467300000000 ] - [ 0.0005227200000000, 0.0011198800000000, -0.0002673300000000 ] - [ 0.0012803500000000, 0.0005397900000000, 0.0002936000000000 ] - [ -0.0004871100000000, 0.0003494800000000, -0.0007075900000000 ] - [ 0.0000722300000000, -0.0000063600000000, 0.0007080300000000 ] - [ -0.0032202000000000, 0.0044143400000000, 0.0034903800000000 ] - [ -0.0037861600000000, -0.0071881800000000, -0.0007733400000000 ] - [ -0.0011036200000000, -0.0002841100000000, 0.0001080200000000 ] - [ -0.0005167400000000, -0.0003490300000000, 0.0005868400000000 ] - [ -0.0036422000000000, 0.0004239900000000, -0.0011933800000000 ] - [ -0.0007624500000000, -0.0002098800000000, 0.0002617300000000 ] - [ -0.0014974300000000, -0.0021236800000000, -0.0009562000000000 ] - [ -0.0022974100000000, 0.0025848900000000, -0.0030193600000000 ] - [ -0.0003650600000000, -0.0012729700000000, 0.0012047900000000 ] - [ 0.0001063500000000, 0.0008376900000000, 0.0012438600000000 ] - [ 0.0498976700000000, 0.0029351600000000, -0.0473175200000000 ] - [ 0.0046457000000000, -0.0019639200000000, 0.0014650800000000 ] - [ 0.0000128700000000, 0.0008957700000000, -0.0000679300000000 ] - [ 0.0017922500000000, 0.0008774700000000, -0.0008474500000000 ] - [ 0.0003157900000000, -0.0002364500000000, -0.0003586500000000 ] - [ 0.0000795900000000, -0.0000102300000000, 0.0009149200000000 ] - [ 0.0003449400000000, 0.0002256700000000, 0.0004151600000000 ] - [ 0.0009886500000000, -0.0000197600000000, -0.0005296000000000 ] - [ -0.0005600500000000, -0.0001327100000000, 0.0003693700000000 ] - [ -0.0017238400000000, 0.0003178900000000, -0.0000469400000000 ] - [ -0.0001470300000000, 0.0000410600000000, 0.0009458600000000 ] - [ -0.0004474900000000, 0.0006319200000000, -0.0002074700000000 ] - [ -0.0002034600000000, 0.0004441900000000, -0.0001519600000000 ] - [ -0.0001800600000000, -0.0006600200000000, 0.0001018200000000 ] - [ -0.0001982500000000, -0.0013023900000000, 0.0001522100000000 ] - [ 0.0000696900000000, 0.0004432800000000, 0.0002634000000000 ] - [ -0.0000455200000000, 0.0002478100000000, 0.0002141000000000 ] - [ -0.0006804000000000, 0.0002821700000000, -0.0006865400000000 ] - [ 0.0005723000000000, -0.0000566900000000, -0.0001157600000000 ] - [ 0.0003267000000000, -0.0000749100000000, -0.0000618000000000 ] - [ -0.0004656400000000, 0.0002122700000000, -0.0000081300000000 ] - [ -0.0004709600000000, 0.0003159900000000, -0.0001741800000000 ] - [ 0.0001643800000000, -0.0003274500000000, -0.0001403900000000 ] - [ 0.0001823600000000, -0.0001509600000000, 0.0010169700000000 ] - [ 0.0003374100000000, -0.0006713600000000, -0.0001029100000000 ] - [ 0.0004155600000000, 0.0008473100000000, -0.0001512300000000 ] - [ -0.0005937100000000, -0.0010038400000000, 0.0002679300000000 ] - [ -0.1311885300000000, 0.0319872600000000, 0.1149154600000000 ] - [ -0.0000734800000000, -0.0007574300000000, -0.0000638200000000 ] - [ -0.0081056400000000, -0.0005646100000000, 0.0047150500000000 ] - [ -0.0024357600000000, -0.0015806900000000, -0.0052084900000000 ] - [ -0.0007620600000000, 0.0005231800000000, -0.0006963200000000 ] - [ -0.0002152800000000, -0.0009575300000000, -0.0001508000000000 ] - [ 0.0000281700000000, -0.0002981300000000, -0.0004699500000000 ] - [ -0.0006054300000000, -0.0008525800000000, 0.0000397200000000 ] - [ -0.0000816700000000, -0.0006615700000000, -0.0008165400000000 ] - [ -0.0009558500000000, 0.0001002000000000, -0.0007270800000000 ] - [ -0.0010752800000000, 0.0002092200000000, 0.0000637400000000 ] - [ -0.0001341700000000, 0.0003255400000000, -0.0006823600000000 ] - [ -0.0001939000000000, -0.0015124400000000, -0.0011474500000000 ] - [ 0.0001705000000000, 0.0004622000000000, 0.0007152300000000 ] - [ 0.0065346400000000, -0.0101484400000000, -0.0015713600000000 ] - [ 0.0006871700000000, 0.0017145800000000, 0.0000140300000000 ] - [ 0.0080582800000000, 0.0050629700000000, -0.0043955700000000 ] - [ 0.0017646300000000, 0.0003200500000000, 0.0018717200000000 ] - [ -0.0003209900000000, -0.0003392500000000, 0.0001981800000000 ] - [ -0.0004263700000000, -0.0002000900000000, 0.0003387100000000 ] - [ -0.0000432100000000, 0.0001065300000000, -0.0001950400000000 ] - [ 0.0003268600000000, 0.0002627300000000, -0.0003768400000000 ] - [ 0.0004295000000000, 0.0012202900000000, -0.0013047000000000 ] - [ 0.0001618400000000, 0.0002051800000000, -0.0001659800000000 ] - [ 0.0014867900000000, -0.0025903000000000, 0.0006957900000000 ] - [ 0.0009699300000000, -0.0003619200000000, 0.0005190000000000 ] - [ 0.0016181100000000, -0.0005298600000000, -0.0014903600000000 ] - [ 0.0003411800000000, 0.0004450900000000, -0.0008816700000000 ] - [ 0.0003116900000000, 0.0005739200000000, -0.0005959400000000 ] - [ 0.0024046800000000, 0.0009597400000000, 0.0005010500000000 ] - [ 0.0000574800000000, -0.0000903500000000, -0.0006711800000000 ] - [ 0.0013945000000000, 0.0001911000000000, 0.0006874600000000 ] - [ 0.0017539400000000, -0.0000783500000000, -0.0000641700000000 ] - [ 0.0009621200000000, -0.0003145100000000, -0.0005495900000000 ] - [ 0.0001703600000000, 0.0005705700000000, 0.0002276400000000 ] - [ 0.0004018200000000, -0.0003425600000000, 0.0002322300000000 ] - [ -0.0004429200000000, 0.0005890600000000, -0.0002554800000000 ] - [ 0.0009881800000000, 0.0010059100000000, -0.0000179000000000 ] - [ 0.0001973200000000, -0.0002595700000000, -0.0003746700000000 ] - [ 0.0007798100000000, 0.0005959300000000, -0.0003683100000000 ] - [ 0.0003354800000000, -0.0000914800000000, 0.0001481200000000 ] - [ 0.0000443300000000, 0.0004739400000000, -0.0004003800000000 ] - [ 0.0004608500000000, -0.0001082100000000, 0.0000680100000000 ] - [ 0.0018110300000000, -0.0002703600000000, 0.0005529800000000 ] - [ 0.0015647200000000, 0.0004486900000000, 0.0011502600000000 ] - [ 0.0035435800000000, 0.0000604000000000, -0.0000520100000000 ] - [ 0.0013618200000000, 0.0004782200000000, 0.0009973600000000 ] - [ 0.0021441300000000, -0.0009105800000000, 0.0003011800000000 ] - [ 0.0000293500000000, 0.0000777300000000, -0.0003340300000000 ] - [ 0.0007161600000000, -0.0003911200000000, 0.0013603400000000 ] - [ 0.0000354200000000, 0.0002868200000000, -0.0002831700000000 ] - [ 0.0010765100000000, 0.0010635600000000, 0.0007165900000000 ] - [ -0.0000490100000000, 0.0005822900000000, -0.0002230300000000 ] - [ 0.0003403700000000, -0.0001869900000000, -0.0003469300000000 ] - [ 0.0007415600000000, -0.0005912700000000, -0.0004024900000000 ] - [ 0.0006348700000000, -0.0005349300000000, -0.0006815400000000 ] - [ -0.0005214800000000, 0.0001392800000000, -0.0006567500000000 ] - [ -0.0006448800000000, 0.0007916000000000, -0.0000684400000000 ] - [ 0.0001985100000000, 0.0009327200000000, 0.0008078900000000 ] - [ -0.0000696400000000, -0.0012109400000000, 0.0009364300000000 ] - [ -0.0003300700000000, 0.0005814600000000, -0.0005502900000000 ] - [ 0.0038133300000000, -0.0044596300000000, 0.0022529700000000 ] - [ -0.0000487800000000, 0.0019261600000000, -0.0017813500000000 ] - [ 0.0171197800000000, 0.0083085700000000, -0.0200587900000000 ] - [ -0.0006625800000000, 0.0002961700000000, -0.0003573000000000 ] - [ -0.0005567600000000, -0.0004624100000000, -0.0002569800000000 ] - [ -0.0016934900000000, 0.0001638000000000, 0.0017394100000000 ] - [ -0.0000968700000000, -0.0006962300000000, -0.0002880700000000 ] - [ -0.0015552700000000, -0.0001544900000000, -0.0006025700000000 ] - [ -0.0003755500000000, -0.0000404200000000, 0.0001621800000000 ] - [ -0.0002204500000000, -0.0007127100000000, -0.0000369600000000 ] - [ -0.0002569500000000, -0.0000321500000000, -0.0000203200000000 ] - [ -0.0062699800000000, -0.0075628100000000, -0.0084206300000000 ] - [ -0.0004928000000000, 0.0001460400000000, -0.0002933800000000 ] - [ -0.0015811500000000, -0.0002631100000000, 0.0001664900000000 ]- atom: 78 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004867100000000, -0.0004205200000000, -0.0001102000000000 ] - [ -0.0035365800000000, 0.0005404200000000, 0.0001492800000000 ] - [ -0.0003253100000000, -0.0000336200000000, 0.0002877800000000 ] - [ 0.0001943000000000, 0.0004137600000000, 0.0000641000000000 ] - [ 0.0000995100000000, 0.0002819600000000, -0.0000460600000000 ] - [ 0.0014119700000000, -0.0005679500000000, 0.0018954300000000 ] - [ -0.0001894100000000, -0.0000799300000000, -0.0008856200000000 ] - [ 0.0000030000000000, -0.0000949000000000, 0.0008481200000000 ] - [ -0.0004564000000000, -0.0003236600000000, -0.0000010800000000 ] - [ 0.0015552800000000, 0.0000579500000000, 0.0006160700000000 ] - [ 0.0005452700000000, -0.0000268200000000, -0.0006770600000000 ] - [ 0.0004646100000000, 0.0004255900000000, -0.0001861700000000 ] - [ 0.0010409000000000, 0.0005916600000000, 0.0002933900000000 ] - [ -0.0000187500000000, -0.0001319600000000, 0.0004415900000000 ] - [ 0.0003516100000000, 0.0001620900000000, -0.0003209300000000 ] - [ 0.0007699600000000, -0.0003182800000000, -0.0006368800000000 ] - [ 0.0000245700000000, -0.0005295100000000, -0.0001091100000000 ] - [ 0.0004392300000000, 0.0001080100000000, -0.0003101600000000 ] - [ -0.0003969700000000, -0.0000250500000000, -0.0001514900000000 ] - [ 0.0009677800000000, -0.0011661300000000, -0.0009244000000000 ] - [ -0.0037403600000000, -0.0002430000000000, 0.0016174700000000 ] - [ -0.0000854600000000, -0.0003215800000000, -0.0005165100000000 ] - [ -0.0006904600000000, -0.0001609300000000, 0.0006513300000000 ] - [ -0.0005733600000000, -0.0003111700000000, -0.0001494700000000 ] - [ -0.0016798800000000, -0.0021193300000000, -0.0014340500000000 ] - [ -0.0551422200000000, 0.0208087200000000, 0.0341553000000000 ] - [ 0.0001329300000000, -0.0004118000000000, 0.0006098100000000 ] - [ -0.0007915500000000, 0.0003232300000000, -0.0011685500000000 ] - [ 0.0001228400000000, 0.0002898700000000, 0.0003531100000000 ] - [ 0.0011534500000000, 0.0001015300000000, 0.0001929500000000 ] - [ 0.0020687200000000, 0.0005956800000000, 0.0003531500000000 ] - [ 0.0007650800000000, 0.0002536500000000, -0.0007314900000000 ] - [ 0.0045901300000000, 0.0056870300000000, -0.0020471400000000 ] - [ -0.0007226700000000, 0.0006994200000000, 0.0006161200000000 ] - [ -0.0010916700000000, -0.0004982800000000, -0.0004270900000000 ] - [ -0.0007578500000000, -0.0008805100000000, -0.0007806700000000 ] - [ -0.0011913900000000, -0.0004429000000000, 0.0009272900000000 ] - [ -0.0007291300000000, 0.0000062200000000, 0.0002565500000000 ] - [ -0.0004163900000000, 0.0005561400000000, -0.0002046600000000 ] - [ -0.0005601900000000, -0.0004866600000000, -0.0001998700000000 ] - [ 0.0037158000000000, -0.0039150000000000, -0.0029755400000000 ] - [ 0.0046850600000000, 0.0062572900000000, -0.0001347800000000 ] - [ 0.0005554400000000, -0.0002655800000000, 0.0004355400000000 ] - [ 0.0011826600000000, -0.0003203900000000, 0.0000864900000000 ] - [ 0.0029765400000000, -0.0010956100000000, 0.0005201600000000 ] - [ 0.0013094400000000, -0.0003385400000000, -0.0008022600000000 ] - [ 0.0005826200000000, 0.0012136400000000, 0.0018707800000000 ] - [ 0.0017920500000000, -0.0020794200000000, 0.0025196400000000 ] - [ 0.0008610400000000, 0.0007744000000000, -0.0017032700000000 ] - [ 0.0007920500000000, 0.0000783600000000, -0.0003179900000000 ] - [ -0.0500144400000000, -0.0024041300000000, 0.0469029500000000 ] - [ -0.0039711300000000, 0.0026357900000000, -0.0021278700000000 ] - [ 0.0001814500000000, 0.0005579500000000, 0.0001120800000000 ] - [ -0.0014930100000000, -0.0017923500000000, 0.0003756700000000 ] - [ 0.0001511700000000, -0.0000514600000000, -0.0005553200000000 ] - [ -0.0001229800000000, -0.0001809200000000, 0.0005420100000000 ] - [ 0.0011107200000000, -0.0001822800000000, -0.0002240800000000 ] - [ -0.0000661500000000, 0.0004867200000000, 0.0008118400000000 ] - [ -0.0003525500000000, -0.0003340900000000, -0.0000793000000000 ] - [ 0.0002679800000000, -0.0003608900000000, 0.0002412200000000 ] - [ 0.0001916600000000, 0.0001507300000000, 0.0005104800000000 ] - [ -0.0000184100000000, -0.0003423600000000, -0.0007062500000000 ] - [ -0.0000830700000000, 0.0004715300000000, -0.0003131600000000 ] - [ -0.0000124600000000, -0.0007947200000000, -0.0000564700000000 ] - [ 0.0003915400000000, -0.0001506200000000, -0.0001977500000000 ] - [ 0.0002173500000000, 0.0004720100000000, 0.0002022800000000 ] - [ 0.0005117700000000, 0.0000388400000000, 0.0007020500000000 ] - [ 0.0006366900000000, -0.0000903100000000, -0.0007684100000000 ] - [ 0.0008830200000000, 0.0000121000000000, -0.0000761700000000 ] - [ 0.0005865300000000, -0.0003924100000000, -0.0002291100000000 ] - [ -0.0004497700000000, 0.0002535100000000, -0.0002783300000000 ] - [ -0.0009853800000000, -0.0002691000000000, -0.0000199500000000 ] - [ -0.0001181200000000, 0.0001336100000000, -0.0013100100000000 ] - [ -0.0006552000000000, -0.0001391700000000, -0.0001030300000000 ] - [ -0.0006255700000000, -0.0002434300000000, 0.0005680100000000 ] - [ -0.0006039000000000, 0.0006077200000000, 0.0001071600000000 ] - [ 0.0018728300000000, -0.0002327200000000, -0.0004377200000000 ] - [ 0.1288777300000000, -0.0298035700000000, -0.1117723300000000 ] - [ 0.0006726500000000, -0.0003309100000000, 0.0002970200000000 ] - [ 0.0078106200000000, 0.0008625300000000, -0.0050505900000000 ] - [ 0.0016733400000000, 0.0007705000000000, 0.0054055100000000 ] - [ 0.0008293300000000, -0.0004534200000000, 0.0006233400000000 ] - [ 0.0010099100000000, 0.0007297900000000, -0.0006116000000000 ] - [ 0.0005276000000000, -0.0001878200000000, -0.0005959200000000 ] - [ 0.0008248100000000, 0.0000886400000000, -0.0008296800000000 ] - [ 0.0002553800000000, -0.0006234100000000, -0.0004249000000000 ] - [ 0.0013268900000000, -0.0000842900000000, -0.0000222300000000 ] - [ -0.0000070500000000, 0.0000081000000000, 0.0005228200000000 ] - [ 0.0001656900000000, 0.0004219100000000, 0.0003046800000000 ] - [ -0.0001921900000000, 0.0011212400000000, 0.0007552900000000 ] - [ 0.0003193300000000, 0.0005954500000000, -0.0001558100000000 ] - [ -0.0072188000000000, 0.0096729500000000, 0.0015409500000000 ] - [ -0.0003774300000000, -0.0020138100000000, -0.0003226000000000 ] - [ -0.0069408100000000, -0.0044781400000000, 0.0048345900000000 ] - [ -0.0005202400000000, -0.0001423200000000, -0.0005784600000000 ] - [ -0.0009218800000000, 0.0001642000000000, 0.0010875900000000 ] - [ -0.0006382300000000, -0.0003577600000000, 0.0001519500000000 ] - [ -0.0002675200000000, 0.0002033500000000, -0.0001149600000000 ] - [ 0.0004127400000000, 0.0001220500000000, 0.0003492800000000 ] - [ -0.0009267000000000, -0.0022553300000000, 0.0018441300000000 ] - [ 0.0002178400000000, 0.0001766200000000, -0.0002162900000000 ] - [ -0.0015018000000000, 0.0018281100000000, -0.0010690300000000 ] - [ 0.0001130300000000, 0.0001347900000000, 0.0000781200000000 ] - [ -0.0019930800000000, 0.0005017900000000, 0.0007372300000000 ] - [ -0.0005163200000000, 0.0008394600000000, -0.0003608300000000 ] - [ -0.0005399800000000, 0.0001876100000000, -0.0001911600000000 ] - [ -0.0029566300000000, -0.0004674700000000, -0.0015580900000000 ] - [ -0.0008477000000000, 0.0003119200000000, -0.0000950900000000 ] - [ -0.0014620200000000, -0.0002601000000000, -0.0007546100000000 ] - [ -0.0009884600000000, 0.0008730800000000, 0.0002864600000000 ] - [ -0.0006747600000000, 0.0000293300000000, 0.0002615000000000 ] - [ -0.0007679900000000, 0.0005202800000000, 0.0000093000000000 ] - [ -0.0001679400000000, -0.0002563400000000, 0.0008542300000000 ] - [ -0.0008405200000000, 0.0006512400000000, 0.0000780900000000 ] - [ 0.0002941600000000, 0.0002328900000000, 0.0001948300000000 ] - [ -0.0004276900000000, -0.0003375200000000, -0.0007106400000000 ] - [ -0.0001836900000000, 0.0004918200000000, 0.0001385100000000 ] - [ -0.0006171200000000, -0.0001922800000000, 0.0001370800000000 ] - [ -0.0008079300000000, 0.0003199000000000, 0.0001781100000000 ] - [ -0.0003907900000000, 0.0000398600000000, -0.0000006900000000 ] - [ -0.0010145800000000, 0.0004887500000000, 0.0002155700000000 ] - [ -0.0010070700000000, 0.0000446300000000, -0.0000972600000000 ] - [ -0.0033289400000000, 0.0007022700000000, 0.0008495200000000 ] - [ -0.0011871500000000, 0.0008075500000000, 0.0002412100000000 ] - [ -0.0017635500000000, 0.0008925500000000, 0.0004451000000000 ] - [ -0.0011073500000000, -0.0002904700000000, -0.0002536300000000 ] - [ -0.0006761800000000, -0.0003574700000000, -0.0009930700000000 ] - [ -0.0004169600000000, 0.0000962500000000, 0.0006660900000000 ] - [ -0.0005816500000000, -0.0021209600000000, -0.0012718900000000 ] - [ -0.0006932300000000, -0.0002003000000000, 0.0002486900000000 ] - [ -0.0000263400000000, 0.0004948900000000, 0.0006538200000000 ] - [ 0.0003201000000000, 0.0000300500000000, -0.0000918300000000 ] - [ 0.0006115500000000, 0.0003558500000000, -0.0005997900000000 ] - [ -0.0007178400000000, 0.0000361200000000, -0.0006275800000000 ] - [ -0.0004011500000000, -0.0002409900000000, -0.0004285700000000 ] - [ -0.0005054500000000, -0.0012438200000000, -0.0005004500000000 ] - [ 0.0008190400000000, 0.0008385300000000, -0.0009077200000000 ] - [ -0.0001706100000000, 0.0004595600000000, -0.0000041800000000 ] - [ -0.0034560200000000, 0.0041115400000000, -0.0018753700000000 ] - [ 0.0000285800000000, -0.0011842400000000, 0.0021660900000000 ] - [ -0.0163812300000000, -0.0082307400000000, 0.0198195200000000 ] - [ 0.0002805400000000, -0.0002742100000000, 0.0011011100000000 ] - [ 0.0003881800000000, -0.0008188100000000, 0.0014912900000000 ] - [ 0.0014652100000000, -0.0009251600000000, -0.0009566100000000 ] - [ -0.0004541500000000, 0.0002004000000000, 0.0013360800000000 ] - [ 0.0007560400000000, -0.0000625100000000, 0.0013624500000000 ] - [ 0.0003051100000000, 0.0001112800000000, -0.0000896200000000 ] - [ 0.0009823300000000, -0.0000802000000000, -0.0001870900000000 ] - [ 0.0005410500000000, 0.0003165000000000, 0.0003028800000000 ] - [ 0.0057498900000000, 0.0064435100000000, 0.0081289200000000 ] - [ 0.0007140000000000, 0.0004441400000000, -0.0007900700000000 ] - [ 0.0002903600000000, -0.0009765300000000, 0.0000095700000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000813400000000, -0.0014106300000000, 0.0005649800000000 ] - [ -0.0000404600000000, 0.0042211700000000, 0.0004123500000000 ] - [ 0.0000264200000000, 0.0004746700000000, 0.0011682800000000 ] - [ 0.0003906700000000, -0.0004722700000000, 0.0001109500000000 ] - [ 0.0000755900000000, 0.0002495400000000, 0.0001351300000000 ] - [ 0.0014455200000000, 0.0005450800000000, 0.0006478300000000 ] - [ -0.0003074300000000, 0.0003350500000000, 0.0003855000000000 ] - [ -0.0005375100000000, -0.0008680600000000, -0.0000113800000000 ] - [ -0.0005328300000000, -0.0005308500000000, 0.0000505600000000 ] - [ 0.0001321400000000, 0.0007915400000000, 0.0003360700000000 ] - [ 0.0003556900000000, -0.0000892300000000, -0.0004714600000000 ] - [ -0.0002141700000000, 0.0004294200000000, 0.0000707900000000 ] - [ 0.0003667500000000, 0.0003457800000000, 0.0001948500000000 ] - [ -0.0002387100000000, -0.0000018800000000, 0.0005092300000000 ] - [ 0.0000155300000000, -0.0001713400000000, -0.0003856800000000 ] - [ 0.0004374400000000, -0.0000351800000000, 0.0000652100000000 ] - [ -0.0000753300000000, -0.0004590300000000, -0.0004459500000000 ] - [ 0.0004602600000000, -0.0005040100000000, -0.0001923600000000 ] - [ -0.0003293400000000, -0.0001695400000000, -0.0001301600000000 ] - [ 0.0011463000000000, 0.0014082000000000, -0.0004535300000000 ] - [ -0.0005304700000000, 0.0031952700000000, -0.0004294100000000 ] - [ 0.0000923800000000, -0.0006223600000000, -0.0005038800000000 ] - [ 0.0001946000000000, -0.0010294500000000, -0.0004126500000000 ] - [ -0.0003438800000000, -0.0002663300000000, 0.0002138000000000 ] - [ -0.0021878700000000, -0.0031289800000000, -0.0029991100000000 ] - [ -0.0249400300000000, 0.0104137900000000, 0.0167255700000000 ] - [ 0.0004342100000000, -0.0006716900000000, 0.0001886900000000 ] - [ -0.0005990400000000, -0.0007928500000000, 0.0000121000000000 ] - [ -0.0002022200000000, 0.0007722100000000, 0.0006864800000000 ] - [ 0.0001203500000000, 0.0002535800000000, -0.0001445900000000 ] - [ 0.0003386600000000, 0.0008771700000000, -0.0008983300000000 ] - [ 0.0004369700000000, -0.0002544400000000, -0.0004695000000000 ] - [ -0.0007166800000000, -0.0013887800000000, 0.0008720600000000 ] - [ -0.0006895100000000, 0.0010528200000000, 0.0004466800000000 ] - [ -0.0001768000000000, -0.0015090300000000, -0.0004293200000000 ] - [ -0.0003588300000000, -0.0009123800000000, -0.0002118300000000 ] - [ -0.0009195200000000, -0.0024334400000000, 0.0005255800000000 ] - [ 0.0000904100000000, -0.0008683100000000, 0.0002710200000000 ] - [ 0.0000951100000000, 0.0002085500000000, 0.0000203700000000 ] - [ -0.0008941000000000, -0.0003135200000000, -0.0002745200000000 ] - [ 0.0026344000000000, -0.0027263000000000, -0.0022238700000000 ] - [ -0.0017280600000000, 0.0000786000000000, 0.0010970000000000 ] - [ -0.0000484000000000, -0.0009883900000000, 0.0002622000000000 ] - [ 0.0004944300000000, -0.0010099800000000, 0.0001754600000000 ] - [ -0.0006110200000000, 0.0007881800000000, -0.0004639000000000 ] - [ 0.0004171100000000, 0.0003752600000000, -0.0002361400000000 ] - [ -0.0011744200000000, -0.0019440300000000, 0.0008139600000000 ] - [ 0.0014861100000000, -0.0012035800000000, 0.0018851000000000 ] - [ -0.0001305000000000, -0.0009443800000000, 0.0001691400000000 ] - [ 0.0019103900000000, 0.0004228400000000, -0.0002814800000000 ] - [ 0.0027040600000000, 0.0368382400000000, -0.0142468700000000 ] - [ -0.0017323500000000, 0.0029986500000000, -0.0016345600000000 ] - [ 0.0006673300000000, -0.0006925100000000, 0.0002371200000000 ] - [ 0.0011147600000000, -0.0022506700000000, 0.0000418500000000 ] - [ 0.0002070100000000, -0.0001903900000000, -0.0004561200000000 ] - [ -0.0001586400000000, -0.0003017500000000, 0.0003806700000000 ] - [ 0.0012685200000000, -0.0000578100000000, -0.0001195500000000 ] - [ 0.0002911500000000, 0.0006563800000000, -0.0000662300000000 ] - [ -0.0004889100000000, -0.0000951000000000, -0.0000239200000000 ] - [ -0.0011344300000000, 0.0000988300000000, 0.0000652900000000 ] - [ 0.0000664600000000, 0.0000256900000000, 0.0006993900000000 ] - [ -0.0000811800000000, -0.0003616400000000, -0.0007559800000000 ] - [ -0.0001712000000000, 0.0004956500000000, -0.0002170200000000 ] - [ -0.0000790600000000, -0.0008118500000000, 0.0000188900000000 ] - [ 0.0000691900000000, -0.0007798700000000, 0.0000181100000000 ] - [ 0.0001716000000000, 0.0003704900000000, 0.0002590400000000 ] - [ 0.0003825500000000, 0.0005530100000000, 0.0003151000000000 ] - [ -0.0000302000000000, 0.0002789900000000, -0.0007983600000000 ] - [ 0.0006679400000000, -0.0000864500000000, -0.0001220400000000 ] - [ 0.0005476900000000, -0.0003512700000000, -0.0002233100000000 ] - [ -0.0004959300000000, 0.0001476600000000, -0.0000777300000000 ] - [ -0.0006134900000000, -0.0003271900000000, -0.0000720500000000 ] - [ -0.0000180600000000, -0.0000802000000000, -0.0007817800000000 ] - [ -0.0004671200000000, -0.0001906900000000, 0.0007449300000000 ] - [ 0.0002288400000000, -0.0008982600000000, 0.0002878200000000 ] - [ 0.0004719100000000, 0.0015669800000000, 0.0011285300000000 ] - [ 0.0000164400000000, 0.0021981400000000, -0.0004681100000000 ] - [ 0.0305710400000000, -0.0536759300000000, -0.0087237000000000 ] - [ 0.0003641200000000, 0.0001501200000000, 0.0000628900000000 ] - [ -0.0001653100000000, -0.0041751400000000, -0.0098528300000000 ] - [ -0.0001617400000000, -0.0009868100000000, 0.0045398900000000 ] - [ 0.0001168900000000, -0.0009106700000000, 0.0003102500000000 ] - [ 0.0006715000000000, 0.0016103100000000, -0.0003935300000000 ] - [ 0.0001467900000000, 0.0000391600000000, -0.0008791700000000 ] - [ 0.0004703200000000, 0.0013821300000000, -0.0009007200000000 ] - [ 0.0002144800000000, -0.0003911200000000, -0.0004047300000000 ] - [ 0.0011697300000000, -0.0002846300000000, 0.0004634800000000 ] - [ -0.0006117000000000, 0.0005789100000000, 0.0003078500000000 ] - [ 0.0001378300000000, 0.0004496200000000, -0.0001283800000000 ] - [ -0.0004320900000000, 0.0007588200000000, 0.0005035400000000 ] - [ 0.0000160000000000, 0.0008561600000000, -0.0000934900000000 ] - [ -0.0063982100000000, 0.0054096900000000, 0.0011869200000000 ] - [ 0.0020782100000000, 0.0004728000000000, -0.0010825900000000 ] - [ 0.0021521100000000, 0.0003065600000000, -0.0005520000000000 ] - [ 0.0013351500000000, -0.0005901900000000, 0.0010060400000000 ] - [ -0.0009795500000000, -0.0002159900000000, 0.0008884500000000 ] - [ -0.0009858300000000, -0.0004693600000000, -0.0000124600000000 ] - [ -0.0003586100000000, 0.0003874400000000, -0.0003197300000000 ] - [ 0.0007041300000000, -0.0002322600000000, 0.0001382700000000 ] - [ 0.0000053600000000, -0.0004108200000000, -0.0003927700000000 ] - [ 0.0003857200000000, 0.0002671900000000, -0.0000870800000000 ] - [ -0.0009380900000000, 0.0012633600000000, -0.0006082800000000 ] - [ 0.0003504500000000, 0.0003768600000000, 0.0001978200000000 ] - [ -0.0013059300000000, 0.0001033200000000, 0.0005455900000000 ] - [ -0.0001646300000000, 0.0011801300000000, -0.0004187400000000 ] - [ 0.0000020500000000, 0.0006937100000000, -0.0003694600000000 ] - [ 0.0003272100000000, -0.0000302200000000, -0.0004535100000000 ] - [ -0.0005450500000000, 0.0005812100000000, -0.0001334600000000 ] - [ -0.0002083800000000, -0.0004823000000000, -0.0001085800000000 ] - [ 0.0006852600000000, -0.0000578200000000, 0.0001055700000000 ] - [ 0.0001644900000000, -0.0005002400000000, -0.0002389700000000 ] - [ -0.0003075300000000, 0.0009027600000000, 0.0003310400000000 ] - [ 0.0000690200000000, -0.0004922900000000, 0.0004692400000000 ] - [ -0.0006647900000000, 0.0006350000000000, -0.0001083300000000 ] - [ 0.0006178000000000, 0.0007419400000000, 0.0000220900000000 ] - [ -0.0001541900000000, -0.0000886700000000, -0.0005651400000000 ] - [ 0.0002020300000000, 0.0002117900000000, 0.0001108000000000 ] - [ -0.0002276100000000, 0.0002247000000000, 0.0000771700000000 ] - [ -0.0004032300000000, 0.0006356300000000, -0.0000799900000000 ] - [ -0.0001103400000000, 0.0002881100000000, -0.0000458800000000 ] - [ 0.0003553400000000, -0.0006177200000000, 0.0006950900000000 ] - [ 0.0004457100000000, 0.0005826200000000, 0.0005362700000000 ] - [ 0.0007962800000000, 0.0000385100000000, 0.0002588000000000 ] - [ 0.0001356500000000, 0.0001373500000000, 0.0007964100000000 ] - [ -0.0010338900000000, 0.0007810000000000, 0.0004917200000000 ] - [ -0.0006925100000000, -0.0004860000000000, -0.0003691100000000 ] - [ -0.0005328500000000, -0.0008146000000000, -0.0007872400000000 ] - [ -0.0000543800000000, 0.0002729100000000, 0.0000604000000000 ] - [ 0.0005226100000000, -0.0001369800000000, -0.0002611300000000 ] - [ -0.0002190400000000, 0.0006520900000000, -0.0000285000000000 ] - [ -0.0002814300000000, -0.0000429900000000, 0.0002936400000000 ] - [ 0.0000951900000000, 0.0002126400000000, -0.0001539000000000 ] - [ 0.0003319400000000, 0.0003539100000000, -0.0006026600000000 ] - [ -0.0005626300000000, 0.0003027700000000, -0.0006340000000000 ] - [ -0.0007217600000000, 0.0013404100000000, -0.0003389000000000 ] - [ 0.0007779700000000, 0.0006952600000000, 0.0003263800000000 ] - [ 0.0001164200000000, 0.0007395300000000, -0.0003378900000000 ] - [ -0.0004429300000000, 0.0002793200000000, -0.0000543900000000 ] - [ -0.0039902900000000, 0.0016312500000000, -0.0011596200000000 ] - [ 0.0003088700000000, 0.0008156600000000, -0.0003665300000000 ] - [ 0.0046191300000000, -0.0058814900000000, -0.0052003700000000 ] - [ -0.0001345400000000, 0.0003157700000000, 0.0002592900000000 ] - [ 0.0002274800000000, -0.0009215900000000, 0.0003923400000000 ] - [ 0.0003732300000000, -0.0019145300000000, 0.0000628200000000 ] - [ -0.0012567800000000, 0.0004259900000000, 0.0019930800000000 ] - [ 0.0000310700000000, -0.0003516200000000, 0.0006703700000000 ] - [ -0.0000820600000000, 0.0009695200000000, 0.0001304100000000 ] - [ 0.0003848400000000, 0.0010965800000000, 0.0001504600000000 ] - [ 0.0002957300000000, 0.0006481900000000, 0.0002033700000000 ] - [ -0.0052209900000000, 0.0033616500000000, 0.0199316700000000 ] - [ 0.0002639800000000, 0.0009265000000000, -0.0006170400000000 ] - [ -0.0012467300000000, -0.0001964700000000, -0.0017356500000000 ]- atom: 78 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003903200000000, 0.0005709800000000, -0.0007252800000000 ] - [ -0.0005509100000000, -0.0035617400000000, -0.0014390100000000 ] - [ -0.0001761100000000, -0.0009410200000000, -0.0003259700000000 ] - [ 0.0006093800000000, 0.0010710000000000, -0.0000222800000000 ] - [ 0.0000144700000000, 0.0007511600000000, 0.0004678300000000 ] - [ -0.0006113100000000, -0.0003965800000000, -0.0001824300000000 ] - [ -0.0005223000000000, -0.0004877300000000, 0.0000883200000000 ] - [ 0.0004456500000000, -0.0001332200000000, 0.0006082800000000 ] - [ -0.0004680200000000, -0.0000677600000000, 0.0000382100000000 ] - [ 0.0000182900000000, -0.0003217100000000, 0.0004928700000000 ] - [ 0.0002429200000000, -0.0000019600000000, -0.0005285800000000 ] - [ -0.0002558700000000, 0.0003982600000000, -0.0002234200000000 ] - [ 0.0000997700000000, 0.0004806700000000, -0.0000431200000000 ] - [ -0.0003599000000000, -0.0000879900000000, 0.0004911600000000 ] - [ -0.0001687200000000, 0.0006409600000000, -0.0004439400000000 ] - [ 0.0005618700000000, -0.0005625600000000, -0.0001506500000000 ] - [ 0.0001672300000000, -0.0005418500000000, -0.0001522600000000 ] - [ 0.0003696200000000, 0.0003514200000000, -0.0002804200000000 ] - [ -0.0004987400000000, 0.0003226700000000, -0.0003407500000000 ] - [ -0.0012415900000000, -0.0003979400000000, -0.0001474200000000 ] - [ -0.0004766000000000, -0.0025967600000000, 0.0003243900000000 ] - [ 0.0000608000000000, 0.0001528700000000, -0.0003257000000000 ] - [ 0.0004051300000000, 0.0011272300000000, 0.0014233800000000 ] - [ -0.0001260600000000, -0.0005619700000000, -0.0000575600000000 ] - [ 0.0026171600000000, 0.0020335400000000, 0.0036474700000000 ] - [ 0.0257500900000000, -0.0104367200000000, -0.0158061400000000 ] - [ 0.0006708900000000, 0.0013103500000000, -0.0006190000000000 ] - [ -0.0005077800000000, 0.0001552000000000, -0.0004340300000000 ] - [ -0.0004344000000000, -0.0003478800000000, 0.0004227900000000 ] - [ -0.0005480200000000, 0.0008531500000000, 0.0007847700000000 ] - [ 0.0000833600000000, 0.0002330300000000, 0.0002561200000000 ] - [ 0.0001978900000000, 0.0006766200000000, -0.0006354700000000 ] - [ 0.0018036600000000, 0.0007172500000000, -0.0004436600000000 ] - [ -0.0004147900000000, -0.0004167900000000, -0.0000188200000000 ] - [ -0.0004594000000000, 0.0010850600000000, -0.0006765200000000 ] - [ -0.0000618700000000, -0.0001940600000000, -0.0004203900000000 ] - [ 0.0002513700000000, 0.0031066200000000, 0.0001336500000000 ] - [ 0.0004543800000000, 0.0014128100000000, 0.0002760900000000 ] - [ -0.0010014800000000, 0.0006939000000000, -0.0009295300000000 ] - [ 0.0003956900000000, -0.0001837900000000, 0.0007804800000000 ] - [ -0.0021428100000000, 0.0032337600000000, 0.0027329000000000 ] - [ 0.0026223600000000, -0.0009816400000000, -0.0019959000000000 ] - [ -0.0004986400000000, 0.0004449700000000, 0.0002781100000000 ] - [ 0.0001711500000000, 0.0003402000000000, 0.0004971800000000 ] - [ -0.0000692500000000, -0.0014504700000000, -0.0002129200000000 ] - [ 0.0001279600000000, -0.0009220700000000, -0.0003047700000000 ] - [ 0.0002727000000000, 0.0010315800000000, 0.0000828900000000 ] - [ -0.0019909000000000, 0.0017108400000000, -0.0023901400000000 ] - [ 0.0006270600000000, 0.0004368400000000, -0.0006582800000000 ] - [ -0.0010013900000000, 0.0004895300000000, 0.0011967600000000 ] - [ -0.0029945300000000, -0.0360422000000000, 0.0126994900000000 ] - [ 0.0024084500000000, -0.0023303200000000, 0.0009813600000000 ] - [ -0.0004815100000000, 0.0021555000000000, -0.0001932400000000 ] - [ -0.0008486300000000, 0.0013540100000000, -0.0005131400000000 ] - [ 0.0002586900000000, -0.0000951600000000, -0.0004597500000000 ] - [ 0.0001142500000000, 0.0001108900000000, 0.0010761100000000 ] - [ 0.0001856000000000, 0.0001021200000000, 0.0003114400000000 ] - [ 0.0006262800000000, -0.0001884900000000, 0.0003516900000000 ] - [ -0.0004265200000000, -0.0003713600000000, 0.0003110800000000 ] - [ -0.0003230500000000, -0.0001433500000000, 0.0001259000000000 ] - [ -0.0000227200000000, 0.0001652800000000, 0.0007579500000000 ] - [ -0.0003853500000000, 0.0006486700000000, -0.0001591000000000 ] - [ -0.0001153800000000, 0.0004201100000000, -0.0002483700000000 ] - [ -0.0001126500000000, -0.0006442400000000, 0.0000259100000000 ] - [ 0.0001206300000000, -0.0006804400000000, -0.0000614800000000 ] - [ 0.0001147700000000, 0.0005450700000000, 0.0002068100000000 ] - [ 0.0000836600000000, -0.0002646400000000, 0.0005996600000000 ] - [ -0.0000157400000000, -0.0000866600000000, -0.0006598100000000 ] - [ 0.0007883800000000, 0.0000418600000000, -0.0000690500000000 ] - [ 0.0003677600000000, -0.0001146300000000, -0.0000635300000000 ] - [ -0.0004202000000000, 0.0003177000000000, -0.0002068700000000 ] - [ -0.0008411500000000, 0.0003727300000000, -0.0001205400000000 ] - [ 0.0000638900000000, -0.0001135400000000, -0.0006697700000000 ] - [ -0.0000009100000000, -0.0000975700000000, 0.0001754800000000 ] - [ -0.0005128500000000, -0.0000189700000000, 0.0001790000000000 ] - [ -0.0006602300000000, -0.0001103500000000, -0.0011707200000000 ] - [ 0.0012789700000000, -0.0034698600000000, 0.0003010900000000 ] - [ -0.0311948700000000, 0.0529536600000000, 0.0108495100000000 ] - [ 0.0002182700000000, -0.0012373100000000, 0.0001436500000000 ] - [ -0.0001236100000000, 0.0045145900000000, 0.0095981700000000 ] - [ -0.0006017500000000, 0.0001938700000000, -0.0043444400000000 ] - [ -0.0000583300000000, 0.0009711100000000, -0.0003739800000000 ] - [ 0.0001041300000000, -0.0018450000000000, -0.0003643400000000 ] - [ 0.0004077300000000, -0.0005447100000000, -0.0001616200000000 ] - [ -0.0002374000000000, -0.0021514300000000, 0.0001315900000000 ] - [ -0.0000391700000000, -0.0008972700000000, -0.0008372600000000 ] - [ -0.0008012200000000, 0.0003236000000000, -0.0012137700000000 ] - [ -0.0004761800000000, -0.0003676200000000, 0.0002746400000000 ] - [ -0.0000972100000000, 0.0002958000000000, -0.0002473300000000 ] - [ 0.0000625200000000, -0.0011348600000000, -0.0008794400000000 ] - [ 0.0004926300000000, 0.0001814700000000, 0.0006521800000000 ] - [ 0.0056994800000000, -0.0058146400000000, -0.0012230200000000 ] - [ -0.0017516100000000, -0.0007830900000000, 0.0007632900000000 ] - [ -0.0011073100000000, 0.0002375500000000, 0.0010567200000000 ] - [ -0.0000932800000000, 0.0007640900000000, 0.0002832300000000 ] - [ -0.0002596800000000, 0.0000410200000000, 0.0003954300000000 ] - [ -0.0000588600000000, -0.0000873200000000, 0.0005159800000000 ] - [ 0.0000455400000000, -0.0000736200000000, 0.0000056500000000 ] - [ 0.0000422000000000, 0.0006066700000000, -0.0001779000000000 ] - [ -0.0005112100000000, -0.0006267100000000, 0.0009471900000000 ] - [ -0.0000143400000000, 0.0001034400000000, -0.0002852900000000 ] - [ 0.0008991700000000, -0.0020191900000000, 0.0002429000000000 ] - [ 0.0007360500000000, -0.0005847000000000, 0.0003855500000000 ] - [ 0.0009403200000000, -0.0001424100000000, -0.0012981900000000 ] - [ -0.0000095200000000, 0.0001052800000000, -0.0008232000000000 ] - [ -0.0002290000000000, 0.0000684600000000, -0.0004099400000000 ] - [ -0.0008777300000000, 0.0005388600000000, -0.0005796500000000 ] - [ -0.0002338400000000, -0.0003557100000000, -0.0006309000000000 ] - [ 0.0001548200000000, 0.0004239800000000, 0.0000525700000000 ] - [ 0.0000814400000000, 0.0008366600000000, 0.0001200400000000 ] - [ 0.0001287400000000, 0.0002088900000000, -0.0000540400000000 ] - [ -0.0002754700000000, 0.0001815500000000, -0.0001227900000000 ] - [ 0.0001456500000000, -0.0000946700000000, 0.0006181100000000 ] - [ -0.0006190800000000, 0.0006061200000000, -0.0000682800000000 ] - [ 0.0006725000000000, 0.0005038200000000, 0.0001531100000000 ] - [ -0.0000615300000000, -0.0005000200000000, -0.0005212700000000 ] - [ 0.0003860000000000, 0.0008784700000000, -0.0003265100000000 ] - [ -0.0000622600000000, -0.0005157800000000, 0.0002147900000000 ] - [ -0.0003593500000000, 0.0001454200000000, -0.0001480200000000 ] - [ 0.0001700900000000, -0.0003474400000000, 0.0001041800000000 ] - [ 0.0004250700000000, 0.0008443500000000, 0.0000690500000000 ] - [ 0.0001136300000000, -0.0000772500000000, 0.0005069000000000 ] - [ -0.0005493300000000, 0.0007213700000000, 0.0005140000000000 ] - [ 0.0000421100000000, 0.0011460500000000, 0.0004487100000000 ] - [ 0.0014001800000000, -0.0008222500000000, 0.0002600100000000 ] - [ -0.0003962000000000, 0.0002705900000000, -0.0002208600000000 ] - [ 0.0005693800000000, 0.0000674100000000, 0.0011615300000000 ] - [ -0.0003150900000000, 0.0000989400000000, 0.0003057900000000 ] - [ -0.0000108700000000, -0.0008873700000000, -0.0002853100000000 ] - [ -0.0005262200000000, -0.0002738200000000, 0.0000655900000000 ] - [ 0.0005951700000000, 0.0003539800000000, 0.0000180700000000 ] - [ 0.0009447200000000, -0.0007730100000000, -0.0003543500000000 ] - [ 0.0009089600000000, -0.0005325800000000, -0.0006822800000000 ] - [ -0.0006789900000000, -0.0001278600000000, -0.0006543400000000 ] - [ -0.0003223100000000, -0.0007792600000000, -0.0001655300000000 ] - [ -0.0011003400000000, -0.0010108900000000, -0.0000102500000000 ] - [ 0.0006260300000000, -0.0011164400000000, 0.0003763300000000 ] - [ -0.0000645200000000, 0.0007620800000000, -0.0005093300000000 ] - [ 0.0043354800000000, -0.0020002200000000, 0.0015315500000000 ] - [ -0.0003514600000000, -0.0000576300000000, 0.0007277700000000 ] - [ -0.0034860800000000, 0.0061411500000000, 0.0045876300000000 ] - [ -0.0002396100000000, -0.0002695400000000, 0.0004835600000000 ] - [ -0.0004027700000000, -0.0003649400000000, 0.0008415800000000 ] - [ -0.0006049100000000, 0.0011512800000000, 0.0007143000000000 ] - [ 0.0006996700000000, -0.0009368300000000, -0.0009593800000000 ] - [ -0.0008104800000000, 0.0001213200000000, 0.0000847000000000 ] - [ 0.0000214800000000, -0.0009103400000000, -0.0000680500000000 ] - [ 0.0003764500000000, -0.0018735900000000, -0.0003705900000000 ] - [ -0.0000053900000000, -0.0003577600000000, 0.0000859600000000 ] - [ 0.0045699700000000, -0.0043855100000000, -0.0199444800000000 ] - [ -0.0000482500000000, -0.0003397500000000, -0.0004755100000000 ] - [ -0.0000432000000000, -0.0010430100000000, 0.0019030400000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003045500000000, 0.0023184200000000, -0.0000536700000000 ] - [ -0.0013747100000000, 0.0014907400000000, 0.0042277100000000 ] - [ -0.0008300700000000, -0.0006826100000000, -0.0034081900000000 ] - [ 0.0003157400000000, 0.0005363500000000, 0.0003041500000000 ] - [ 0.0002087900000000, 0.0001272100000000, -0.0002734200000000 ] - [ -0.0018056500000000, 0.0007569600000000, 0.0018383900000000 ] - [ 0.0003658100000000, 0.0001888700000000, -0.0012433200000000 ] - [ -0.0004930900000000, -0.0007345800000000, 0.0011001400000000 ] - [ -0.0006260800000000, -0.0002865200000000, -0.0001356300000000 ] - [ 0.0011898500000000, -0.0001078000000000, 0.0009145900000000 ] - [ 0.0003550500000000, -0.0000640500000000, -0.0008939900000000 ] - [ 0.0000970200000000, 0.0005472600000000, -0.0004178800000000 ] - [ 0.0006798100000000, 0.0006084800000000, 0.0005011100000000 ] - [ -0.0001707600000000, -0.0002057600000000, 0.0004305800000000 ] - [ 0.0000648400000000, 0.0003395700000000, -0.0002617000000000 ] - [ 0.0009356800000000, -0.0002732900000000, -0.0009259400000000 ] - [ -0.0004172100000000, -0.0008963200000000, -0.0006629700000000 ] - [ 0.0005697700000000, 0.0000549600000000, 0.0000053200000000 ] - [ -0.0005191200000000, 0.0001525000000000, -0.0006046200000000 ] - [ 0.0023910200000000, -0.0009467400000000, 0.0003794800000000 ] - [ -0.0026564800000000, 0.0001138600000000, 0.0037040600000000 ] - [ 0.0000374100000000, -0.0005116000000000, -0.0008267700000000 ] - [ -0.0001826600000000, -0.0018602800000000, 0.0006445100000000 ] - [ -0.0004061300000000, 0.0001567100000000, -0.0012528600000000 ] - [ -0.0036523900000000, -0.0060653400000000, -0.0055229900000000 ] - [ -0.0329846800000000, 0.0112435900000000, 0.0246941100000000 ] - [ -0.0001746800000000, 0.0001444600000000, 0.0010956400000000 ] - [ -0.0007910600000000, 0.0002315900000000, -0.0017351300000000 ] - [ -0.0008172900000000, 0.0001183900000000, -0.0003496400000000 ] - [ 0.0005551200000000, 0.0001072600000000, 0.0001214800000000 ] - [ 0.0010949900000000, 0.0003038600000000, 0.0012747100000000 ] - [ 0.0008147700000000, 0.0001667200000000, -0.0009276000000000 ] - [ 0.0047477900000000, 0.0052142300000000, -0.0008691000000000 ] - [ -0.0024747300000000, 0.0016709600000000, -0.0013471700000000 ] - [ -0.0002990200000000, -0.0000201600000000, 0.0004212400000000 ] - [ 0.0001921400000000, -0.0015418800000000, -0.0025926800000000 ] - [ -0.0000860400000000, -0.0012813500000000, 0.0025841700000000 ] - [ -0.0001780000000000, 0.0000526300000000, -0.0000920300000000 ] - [ -0.0014524500000000, 0.0018070600000000, -0.0017198100000000 ] - [ -0.0019964300000000, -0.0014439200000000, -0.0025955600000000 ] - [ 0.0026360500000000, -0.0027831400000000, -0.0006164100000000 ] - [ 0.0045912300000000, 0.0073272300000000, 0.0008457100000000 ] - [ -0.0001586800000000, -0.0001141600000000, 0.0008381300000000 ] - [ 0.0008261900000000, -0.0001915200000000, -0.0004700500000000 ] - [ 0.0015126400000000, -0.0012621400000000, 0.0014428000000000 ] - [ 0.0003212600000000, -0.0007336400000000, -0.0017557100000000 ] - [ -0.0011942600000000, -0.0004018600000000, 0.0037654000000000 ] - [ -0.0010945800000000, 0.0009836900000000, 0.0000559200000000 ] - [ 0.0011525000000000, 0.0012789700000000, -0.0028186700000000 ] - [ 0.0024564300000000, 0.0003833400000000, -0.0028875600000000 ] - [ -0.0499213100000000, -0.0133614400000000, 0.2126481700000000 ] - [ -0.0042281300000000, 0.0025018300000000, -0.0102207900000000 ] - [ 0.0001704900000000, 0.0004040700000000, 0.0000384700000000 ] - [ -0.0007836700000000, -0.0011883200000000, 0.0016061700000000 ] - [ 0.0001432600000000, -0.0000438900000000, -0.0007300900000000 ] - [ -0.0002182500000000, -0.0003332900000000, 0.0002307800000000 ] - [ 0.0032180300000000, -0.0007367700000000, -0.0008782400000000 ] - [ -0.0006335300000000, -0.0003093500000000, -0.0001455600000000 ] - [ -0.0001382500000000, -0.0004748300000000, 0.0004045200000000 ] - [ -0.0010795100000000, 0.0000706900000000, -0.0000213700000000 ] - [ 0.0001370400000000, 0.0001377900000000, 0.0005724100000000 ] - [ -0.0001347800000000, -0.0001050100000000, -0.0004820100000000 ] - [ -0.0003400100000000, 0.0003536500000000, -0.0004637000000000 ] - [ -0.0000279700000000, -0.0008474500000000, -0.0001434400000000 ] - [ 0.0003308900000000, -0.0002097300000000, -0.0001728100000000 ] - [ 0.0002053400000000, 0.0005033700000000, 0.0002264500000000 ] - [ 0.0000422500000000, 0.0000105500000000, 0.0005918500000000 ] - [ 0.0001807200000000, 0.0000993700000000, 0.0000296500000000 ] - [ 0.0007281000000000, -0.0000180800000000, -0.0001786500000000 ] - [ 0.0008229300000000, -0.0000367600000000, 0.0004674200000000 ] - [ -0.0003465200000000, 0.0002659800000000, -0.0005204300000000 ] - [ -0.0006538800000000, -0.0003879600000000, 0.0002940400000000 ] - [ -0.0005299800000000, 0.0006150500000000, -0.0028097100000000 ] - [ 0.0005001000000000, 0.0002238600000000, -0.0005291600000000 ] - [ -0.0011724400000000, 0.0003648400000000, 0.0006894600000000 ] - [ -0.0008535100000000, 0.0018279000000000, -0.0016304800000000 ] - [ 0.0011699700000000, -0.0001749700000000, -0.0018461500000000 ] - [ 0.1148151800000000, -0.0087384300000000, -0.2880390800000000 ] - [ 0.0004423500000000, -0.0000309700000000, 0.0006786600000000 ] - [ 0.0025900700000000, -0.0075954600000000, 0.0146358400000000 ] - [ 0.0001443600000000, 0.0039745700000000, 0.0145165000000000 ] - [ -0.0001598600000000, -0.0012095700000000, 0.0030529400000000 ] - [ 0.0010432100000000, 0.0024176100000000, -0.0010603700000000 ] - [ 0.0004598100000000, -0.0010657100000000, 0.0012061000000000 ] - [ 0.0006574700000000, 0.0002641400000000, -0.0013343400000000 ] - [ 0.0002738800000000, -0.0005687000000000, -0.0000225600000000 ] - [ 0.0027432300000000, 0.0010221200000000, 0.0020135900000000 ] - [ -0.0003786900000000, 0.0000807100000000, 0.0006545400000000 ] - [ 0.0001371600000000, 0.0008288800000000, 0.0014900300000000 ] - [ -0.0004918700000000, 0.0007963700000000, -0.0001134600000000 ] - [ 0.0009745100000000, -0.0003417300000000, 0.0001807800000000 ] - [ -0.0046785800000000, 0.0051148600000000, -0.0011853700000000 ] - [ -0.0002540400000000, -0.0020431500000000, -0.0013917400000000 ] - [ -0.0087789900000000, -0.0048419000000000, 0.0032688800000000 ] - [ 0.0020717400000000, 0.0006110700000000, 0.0002198300000000 ] - [ -0.0024753200000000, 0.0006175100000000, 0.0014386200000000 ] - [ 0.0003815600000000, -0.0007711000000000, 0.0010866400000000 ] - [ 0.0002126200000000, -0.0002317200000000, 0.0005364300000000 ] - [ 0.0009630300000000, -0.0000094100000000, 0.0011312800000000 ] - [ -0.0009176200000000, -0.0024502000000000, 0.0019053000000000 ] - [ 0.0007246100000000, 0.0005851400000000, 0.0002384900000000 ] - [ -0.0009877000000000, 0.0013009100000000, -0.0015121100000000 ] - [ 0.0006524600000000, -0.0000528200000000, -0.0000439400000000 ] - [ -0.0012925800000000, 0.0005620900000000, -0.0001448900000000 ] - [ -0.0003335500000000, 0.0006715600000000, -0.0005790400000000 ] - [ -0.0003322500000000, 0.0002651000000000, 0.0001108600000000 ] - [ -0.0027996500000000, -0.0006663300000000, -0.0019396900000000 ] - [ -0.0006861400000000, 0.0003491200000000, 0.0000187500000000 ] - [ -0.0006824100000000, -0.0001975800000000, -0.0010522000000000 ] - [ 0.0002785100000000, 0.0005448500000000, 0.0001964300000000 ] - [ -0.0004353900000000, 0.0000891400000000, 0.0005462100000000 ] - [ -0.0003653300000000, 0.0003830200000000, -0.0004269700000000 ] - [ 0.0004116100000000, -0.0002136800000000, 0.0017537600000000 ] - [ -0.0006282200000000, 0.0007309300000000, 0.0003601200000000 ] - [ 0.0004470900000000, 0.0002263500000000, 0.0001425500000000 ] - [ -0.0002803900000000, -0.0003159900000000, -0.0007690300000000 ] - [ 0.0001058700000000, 0.0006549100000000, 0.0003191500000000 ] - [ -0.0003022000000000, -0.0001665400000000, -0.0001662800000000 ] - [ -0.0007328400000000, 0.0003037100000000, 0.0005156000000000 ] - [ -0.0000973600000000, -0.0001545500000000, 0.0003187600000000 ] - [ -0.0004536500000000, 0.0008316600000000, -0.0007387200000000 ] - [ -0.0000904100000000, 0.0003212400000000, -0.0002109100000000 ] - [ -0.0027107900000000, 0.0006200900000000, 0.0005888000000000 ] - [ 0.0002251900000000, 0.0007596000000000, -0.0002174700000000 ] - [ 0.0004768200000000, -0.0005324900000000, -0.0003697000000000 ] - [ -0.0000307200000000, 0.0001027700000000, 0.0003982300000000 ] - [ 0.0002091500000000, -0.0006853700000000, -0.0000790900000000 ] - [ -0.0005333400000000, 0.0001137900000000, 0.0011764000000000 ] - [ -0.0002533600000000, -0.0021120300000000, -0.0023486400000000 ] - [ -0.0008106700000000, -0.0003833600000000, 0.0003972500000000 ] - [ -0.0004457900000000, 0.0005783900000000, 0.0012640400000000 ] - [ 0.0000151700000000, 0.0001488300000000, 0.0003986800000000 ] - [ 0.0000378300000000, 0.0003327300000000, -0.0013642200000000 ] - [ -0.0006518000000000, 0.0001195400000000, -0.0002878700000000 ] - [ -0.0003734200000000, 0.0002348900000000, -0.0009597800000000 ] - [ 0.0010508100000000, 0.0009173700000000, -0.0008936300000000 ] - [ 0.0009827900000000, -0.0006925600000000, -0.0004133000000000 ] - [ -0.0001386500000000, -0.0004569200000000, 0.0020356600000000 ] - [ 0.0019375700000000, -0.0013555900000000, -0.0017427700000000 ] - [ -0.0011076700000000, -0.0015612200000000, 0.0023089800000000 ] - [ -0.0166389900000000, -0.0069717700000000, 0.0036013500000000 ] - [ 0.0002265400000000, -0.0002246700000000, 0.0016562100000000 ] - [ -0.0006208100000000, -0.0011583800000000, 0.0035485500000000 ] - [ 0.0025804900000000, -0.0014192700000000, 0.0043564200000000 ] - [ -0.0020952100000000, 0.0008668800000000, 0.0035022600000000 ] - [ 0.0015473200000000, 0.0014078800000000, 0.0043065200000000 ] - [ -0.0000819800000000, 0.0001262500000000, -0.0004011700000000 ] - [ 0.0002242800000000, -0.0000906800000000, -0.0014821800000000 ] - [ 0.0004212600000000, 0.0001684100000000, 0.0007351000000000 ] - [ -0.0044108700000000, 0.0166896600000000, 0.0168478800000000 ] - [ 0.0003587500000000, 0.0003648500000000, -0.0006857300000000 ] - [ 0.0005471400000000, -0.0029579700000000, 0.0013621800000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001700200000000, -0.0031268900000000, -0.0000929500000000 ] - [ 0.0007660700000000, -0.0013956500000000, -0.0052177500000000 ] - [ 0.0006731500000000, 0.0002072600000000, 0.0042178400000000 ] - [ 0.0006818000000000, 0.0000621900000000, -0.0002159200000000 ] - [ -0.0001190600000000, 0.0008715700000000, 0.0008672100000000 ] - [ 0.0026258400000000, -0.0006065300000000, -0.0013387100000000 ] - [ -0.0011957700000000, -0.0003404400000000, 0.0017050200000000 ] - [ 0.0004012600000000, -0.0002646200000000, -0.0004928700000000 ] - [ -0.0003753700000000, -0.0003110600000000, 0.0002232900000000 ] - [ -0.0010274200000000, 0.0005789400000000, -0.0000824000000000 ] - [ 0.0002424400000000, -0.0000258600000000, -0.0001093400000000 ] - [ -0.0005650700000000, 0.0002821800000000, 0.0002616000000000 ] - [ -0.0002049500000000, 0.0002216600000000, -0.0003444800000000 ] - [ -0.0004256400000000, 0.0001140600000000, 0.0005698400000000 ] - [ -0.0002151300000000, 0.0001320200000000, -0.0005676600000000 ] - [ 0.0000681100000000, -0.0003243700000000, 0.0008340200000000 ] - [ 0.0005087800000000, -0.0001034100000000, 0.0000601000000000 ] - [ 0.0002609200000000, -0.0002051300000000, -0.0004753500000000 ] - [ -0.0003097300000000, -0.0000000900000000, 0.0001282000000000 ] - [ -0.0024636400000000, 0.0019422500000000, -0.0009725800000000 ] - [ 0.0015685000000000, 0.0004639200000000, -0.0038111500000000 ] - [ 0.0001142700000000, 0.0000398700000000, -0.0000053700000000 ] - [ 0.0007749100000000, 0.0019456400000000, 0.0003496900000000 ] - [ -0.0000668600000000, -0.0009859000000000, 0.0014010000000000 ] - [ 0.0040326400000000, 0.0049209300000000, 0.0061089100000000 ] - [ 0.0350788800000000, -0.0122912100000000, -0.0241333600000000 ] - [ 0.0012736700000000, 0.0004920500000000, -0.0015040800000000 ] - [ -0.0003182400000000, -0.0008660700000000, 0.0012992500000000 ] - [ 0.0001746900000000, 0.0003032400000000, 0.0014536100000000 ] - [ -0.0009698000000000, 0.0009935300000000, 0.0005123600000000 ] - [ -0.0006640500000000, 0.0008015600000000, -0.0019035600000000 ] - [ -0.0001727800000000, 0.0002550000000000, -0.0001793500000000 ] - [ -0.0036227400000000, -0.0058174500000000, 0.0012842300000000 ] - [ 0.0013735300000000, -0.0010326200000000, 0.0017659900000000 ] - [ -0.0003400600000000, -0.0004058400000000, -0.0015234900000000 ] - [ -0.0006115700000000, 0.0004398400000000, 0.0019446600000000 ] - [ -0.0005832500000000, 0.0019349800000000, -0.0018943500000000 ] - [ 0.0007206100000000, 0.0004945900000000, 0.0006273600000000 ] - [ 0.0005270000000000, -0.0008821500000000, 0.0008043000000000 ] - [ 0.0014830700000000, 0.0009328600000000, 0.0030837400000000 ] - [ -0.0020900900000000, 0.0032284800000000, 0.0010811300000000 ] - [ -0.0036460200000000, -0.0081983400000000, -0.0017669400000000 ] - [ -0.0003883600000000, -0.0004327200000000, -0.0002844000000000 ] - [ -0.0001545500000000, -0.0004785300000000, 0.0011329300000000 ] - [ -0.0021689100000000, 0.0005911000000000, -0.0020989000000000 ] - [ 0.0002303800000000, 0.0001867600000000, 0.0011975800000000 ] - [ 0.0002760900000000, -0.0005100500000000, -0.0028343000000000 ] - [ 0.0005869800000000, -0.0004729300000000, -0.0005735500000000 ] - [ -0.0006439700000000, -0.0017699500000000, 0.0023112800000000 ] - [ -0.0015304300000000, 0.0005254900000000, 0.0037834300000000 ] - [ 0.0453349600000000, 0.0129674100000000, -0.2009476400000000 ] - [ 0.0048785800000000, -0.0018203000000000, 0.0095308200000000 ] - [ 0.0000262100000000, 0.0010404900000000, 0.0000079100000000 ] - [ 0.0010664600000000, 0.0002537200000000, -0.0020578400000000 ] - [ 0.0003221500000000, -0.0002449700000000, -0.0001851000000000 ] - [ 0.0001724200000000, 0.0001387800000000, 0.0012199200000000 ] - [ -0.0017653200000000, 0.0007793900000000, 0.0010658500000000 ] - [ 0.0015361700000000, 0.0007719100000000, 0.0004389600000000 ] - [ -0.0007759300000000, 0.0000085400000000, -0.0001203100000000 ] - [ -0.0003724600000000, -0.0001164400000000, 0.0002137600000000 ] - [ -0.0000909700000000, 0.0000560700000000, 0.0008779300000000 ] - [ -0.0003296300000000, 0.0003897400000000, -0.0004334700000000 ] - [ 0.0000494400000000, 0.0005591600000000, -0.0000040100000000 ] - [ -0.0001646500000000, -0.0006070000000000, 0.0001871200000000 ] - [ -0.0001365100000000, -0.0012410800000000, 0.0001280300000000 ] - [ 0.0000856800000000, 0.0004100300000000, 0.0002400100000000 ] - [ 0.0004230000000000, 0.0002782300000000, 0.0003212500000000 ] - [ -0.0002242300000000, 0.0000935500000000, -0.0014784300000000 ] - [ 0.0007261700000000, -0.0000264900000000, -0.0000145600000000 ] - [ 0.0000932000000000, -0.0004273400000000, -0.0007526700000000 ] - [ -0.0005660600000000, 0.0002009000000000, 0.0002293300000000 ] - [ -0.0007986200000000, 0.0004286300000000, -0.0004834200000000 ] - [ 0.0005739900000000, -0.0008064400000000, 0.0013500200000000 ] - [ -0.0009589400000000, -0.0005093600000000, 0.0014382300000000 ] - [ 0.0008832700000000, -0.0012771000000000, -0.0002261400000000 ] - [ 0.0006646200000000, -0.0003815300000000, 0.0015923700000000 ] - [ 0.0001119400000000, -0.0010451900000000, 0.0016556400000000 ] - [ -0.1119637900000000, 0.0108229300000000, 0.2767001600000000 ] - [ 0.0001494500000000, -0.0010555500000000, -0.0004517100000000 ] - [ -0.0027768500000000, 0.0076380100000000, -0.0145082500000000 ] - [ -0.0008906500000000, -0.0048395900000000, -0.0143601500000000 ] - [ 0.0002335700000000, 0.0012804800000000, -0.0031149700000000 ] - [ -0.0002427100000000, -0.0026109100000000, 0.0002842600000000 ] - [ 0.0001004700000000, 0.0005589300000000, -0.0022441500000000 ] - [ -0.0004363500000000, -0.0010206000000000, 0.0005322300000000 ] - [ -0.0000970200000000, -0.0007123300000000, -0.0012148600000000 ] - [ -0.0023414600000000, -0.0009909500000000, -0.0027459400000000 ] - [ -0.0007064700000000, 0.0001484800000000, -0.0000560700000000 ] - [ -0.0001072600000000, -0.0000804800000000, -0.0018609000000000 ] - [ 0.0001098700000000, -0.0011630800000000, -0.0002568500000000 ] - [ -0.0004729000000000, 0.0013885600000000, 0.0003708700000000 ] - [ 0.0038721200000000, -0.0053860200000000, 0.0011614900000000 ] - [ 0.0005539800000000, 0.0017199200000000, 0.0010852100000000 ] - [ 0.0098507000000000, 0.0053807500000000, -0.0027578200000000 ] - [ -0.0008267100000000, -0.0004307900000000, 0.0010510700000000 ] - [ 0.0012380100000000, -0.0007914200000000, -0.0001524700000000 ] - [ -0.0014063100000000, 0.0002208200000000, -0.0005758500000000 ] - [ -0.0005163100000000, 0.0005365400000000, -0.0008412200000000 ] - [ -0.0002049300000000, 0.0003747700000000, -0.0011671700000000 ] - [ 0.0004161800000000, 0.0013866200000000, -0.0013336600000000 ] - [ -0.0003381800000000, -0.0002006900000000, -0.0006202500000000 ] - [ 0.0009485800000000, -0.0020238800000000, 0.0011215500000000 ] - [ 0.0004357000000000, -0.0001741400000000, 0.0006343600000000 ] - [ 0.0008922100000000, -0.0005795500000000, -0.0005867500000000 ] - [ 0.0001546300000000, 0.0006079900000000, -0.0006575300000000 ] - [ 0.0001136800000000, 0.0005020600000000, -0.0008971700000000 ] - [ 0.0022276300000000, 0.0011575900000000, 0.0008814300000000 ] - [ -0.0001079000000000, -0.0001319300000000, -0.0007828200000000 ] - [ 0.0006084900000000, 0.0001279300000000, 0.0009770600000000 ] - [ 0.0004792900000000, 0.0002337300000000, 0.0000345400000000 ] - [ 0.0007141300000000, -0.0003705400000000, -0.0008239300000000 ] - [ -0.0002326800000000, 0.0007041700000000, 0.0006527900000000 ] - [ -0.0002042800000000, -0.0003675300000000, -0.0006718900000000 ] - [ -0.0006521000000000, 0.0005093800000000, -0.0005330200000000 ] - [ 0.0008300400000000, 0.0010122800000000, 0.0000318400000000 ] - [ 0.0000481500000000, -0.0002803300000000, -0.0003221500000000 ] - [ 0.0004890500000000, 0.0004311900000000, -0.0005476200000000 ] - [ 0.0000155000000000, -0.0001179900000000, 0.0004486100000000 ] - [ -0.0000389400000000, 0.0004864300000000, -0.0007268900000000 ] - [ 0.0001617300000000, 0.0000890800000000, -0.0002511400000000 ] - [ 0.0012403800000000, -0.0006124100000000, 0.0015004800000000 ] - [ 0.0006458800000000, 0.0001722400000000, 0.0012645000000000 ] - [ 0.0029133900000000, 0.0001471500000000, 0.0002031800000000 ] - [ -0.0000486400000000, 0.0005232800000000, 0.0014542700000000 ] - [ -0.0000852900000000, 0.0005024400000000, 0.0011107300000000 ] - [ -0.0010552500000000, -0.0003273300000000, -0.0009889900000000 ] - [ -0.0001794100000000, -0.0000584500000000, 0.0004667400000000 ] - [ 0.0001487900000000, 0.0002664500000000, -0.0007915100000000 ] - [ 0.0007454100000000, 0.0010499600000000, 0.0017806600000000 ] - [ 0.0000633900000000, 0.0007617000000000, -0.0003708500000000 ] - [ 0.0007485500000000, -0.0002680500000000, -0.0009507700000000 ] - [ 0.0010345300000000, -0.0007042800000000, -0.0008921200000000 ] - [ 0.0011989600000000, -0.0005060100000000, 0.0000762000000000 ] - [ -0.0005889000000000, 0.0000552700000000, -0.0009899200000000 ] - [ -0.0006692000000000, 0.0003164200000000, 0.0004554600000000 ] - [ -0.0013522900000000, -0.0012214900000000, 0.0012013700000000 ] - [ -0.0002368900000000, 0.0003118100000000, 0.0004511200000000 ] - [ -0.0003617700000000, 0.0015031400000000, -0.0025817600000000 ] - [ -0.0015217200000000, 0.0009464400000000, 0.0021353700000000 ] - [ 0.0010721700000000, 0.0022969400000000, -0.0019233600000000 ] - [ 0.0173555500000000, 0.0070518200000000, -0.0041567700000000 ] - [ -0.0006032500000000, 0.0002552300000000, -0.0009043200000000 ] - [ 0.0004378600000000, -0.0001226000000000, -0.0022971400000000 ] - [ -0.0028158800000000, 0.0006559400000000, -0.0035825400000000 ] - [ 0.0015232700000000, -0.0013523300000000, -0.0024259000000000 ] - [ -0.0023366900000000, -0.0016370400000000, -0.0035379000000000 ] - [ 0.0000146400000000, -0.0000580000000000, 0.0004616500000000 ] - [ 0.0005396100000000, -0.0006915100000000, 0.0012470900000000 ] - [ -0.0001338800000000, 0.0001186100000000, -0.0004442000000000 ] - [ 0.0036935700000000, -0.0173056200000000, -0.0166745200000000 ] - [ -0.0001402300000000, 0.0002252000000000, -0.0003938000000000 ] - [ -0.0018311500000000, 0.0017272800000000, -0.0011860300000000 ]- atom: 80 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0036252200000000, 0.0007529500000000, -0.0000428500000000 ] - [ 0.0004108700000000, 0.0004228100000000, -0.0010828700000000 ] - [ 0.0024406200000000, -0.0004758800000000, -0.0007543800000000 ] - [ 0.0006359600000000, 0.0004428200000000, 0.0000507700000000 ] - [ 0.0000626500000000, 0.0006422300000000, 0.0001045200000000 ] - [ 0.0019299100000000, 0.0010149800000000, -0.0003576400000000 ] - [ -0.0004047700000000, -0.0001345900000000, 0.0000417700000000 ] - [ 0.0000787200000000, -0.0012154900000000, 0.0004845900000000 ] - [ -0.0006906600000000, -0.0000889700000000, 0.0000059000000000 ] - [ -0.0004369900000000, 0.0000932500000000, 0.0005540700000000 ] - [ -0.0003221400000000, -0.0000065800000000, -0.0005432200000000 ] - [ -0.0004843200000000, 0.0004427200000000, -0.0001651600000000 ] - [ -0.0004817000000000, 0.0003850600000000, 0.0001071400000000 ] - [ -0.0007767500000000, -0.0000990600000000, 0.0005053500000000 ] - [ -0.0003360400000000, 0.0002431600000000, -0.0004430600000000 ] - [ -0.0001391300000000, -0.0001997100000000, 0.0004300400000000 ] - [ -0.0000067700000000, -0.0004929000000000, -0.0003241000000000 ] - [ 0.0003676600000000, -0.0003300700000000, -0.0002081200000000 ] - [ -0.0004387800000000, 0.0001387600000000, -0.0002839100000000 ] - [ -0.0012622900000000, 0.0024314400000000, 0.0001972200000000 ] - [ -0.0002277300000000, 0.0003014000000000, -0.0023139000000000 ] - [ 0.0003420000000000, -0.0001946400000000, -0.0003739600000000 ] - [ 0.0007641100000000, -0.0000273000000000, 0.0005419700000000 ] - [ 0.0001089900000000, -0.0004095900000000, -0.0000093000000000 ] - [ 0.0029596500000000, 0.0001269400000000, 0.0026864900000000 ] - [ 0.0021177300000000, -0.0016999000000000, 0.0019806500000000 ] - [ 0.0003468100000000, 0.0018006300000000, 0.0007195300000000 ] - [ -0.0006824900000000, -0.0004841700000000, -0.0004825900000000 ] - [ -0.0021521100000000, -0.0007680500000000, -0.0002082600000000 ] - [ -0.0010293300000000, 0.0007812100000000, 0.0002428400000000 ] - [ -0.0006803400000000, 0.0007476700000000, -0.0002219200000000 ] - [ -0.0002284100000000, 0.0000081400000000, -0.0004007300000000 ] - [ -0.0049856100000000, -0.0057293300000000, 0.0024571100000000 ] - [ -0.0005650400000000, 0.0001230500000000, 0.0000611900000000 ] - [ 0.0001544700000000, -0.0000580700000000, -0.0007001600000000 ] - [ 0.0013096700000000, -0.0003368200000000, -0.0008839100000000 ] - [ 0.0007339400000000, 0.0013713700000000, 0.0002765200000000 ] - [ 0.0009264800000000, 0.0005629700000000, 0.0000861400000000 ] - [ -0.0005550200000000, 0.0034488800000000, -0.0035732900000000 ] - [ -0.0010828300000000, -0.0011154500000000, -0.0011262700000000 ] - [ -0.0012807200000000, 0.0020512700000000, 0.0014089500000000 ] - [ 0.0001966300000000, -0.0006393400000000, -0.0001902600000000 ] - [ -0.0013395500000000, -0.0003120200000000, 0.0003020100000000 ] - [ -0.0003363000000000, -0.0003240400000000, 0.0002608700000000 ] - [ -0.0047517100000000, 0.0001780600000000, -0.0001954400000000 ] - [ -0.0006337600000000, -0.0003634800000000, -0.0008219000000000 ] - [ -0.0009011900000000, -0.0017713000000000, -0.0012799500000000 ] - [ -0.0013429600000000, 0.0013039700000000, -0.0011827800000000 ] - [ -0.0005525500000000, -0.0022339200000000, 0.0020808100000000 ] - [ 0.0004858500000000, 0.0010495700000000, 0.0009941700000000 ] - [ 0.1272596400000000, -0.0856199100000000, 0.0852643000000000 ] - [ 0.0014332900000000, 0.0003454700000000, -0.0005870400000000 ] - [ -0.0000199900000000, 0.0008718200000000, 0.0002020300000000 ] - [ 0.0010275300000000, 0.0006377800000000, 0.0008965400000000 ] - [ 0.0003251200000000, -0.0002831800000000, -0.0004485900000000 ] - [ 0.0001469700000000, 0.0000172300000000, 0.0010305100000000 ] - [ 0.0010152900000000, -0.0000643500000000, 0.0000283400000000 ] - [ 0.0000437800000000, -0.0029578500000000, -0.0015514100000000 ] - [ -0.0005151500000000, -0.0002730400000000, 0.0002513100000000 ] - [ -0.0024968800000000, 0.0006984700000000, -0.0007392200000000 ] - [ -0.0000573900000000, 0.0000918900000000, 0.0007956500000000 ] - [ -0.0003796800000000, 0.0004156900000000, -0.0002989100000000 ] - [ -0.0004355600000000, 0.0003001100000000, -0.0003563800000000 ] - [ -0.0001456400000000, -0.0007474000000000, -0.0000105100000000 ] - [ -0.0002836500000000, -0.0011868200000000, 0.0001293800000000 ] - [ -0.0001145400000000, 0.0005709800000000, 0.0001940900000000 ] - [ 0.0002193800000000, 0.0002908700000000, 0.0002617000000000 ] - [ -0.0007210600000000, 0.0003490300000000, -0.0007474100000000 ] - [ 0.0005617600000000, -0.0000788000000000, -0.0001249600000000 ] - [ 0.0003112100000000, -0.0001745400000000, -0.0001830600000000 ] - [ -0.0004871200000000, 0.0001869100000000, -0.0000100000000000 ] - [ -0.0006159000000000, 0.0002884700000000, -0.0001879900000000 ] - [ 0.0007180800000000, -0.0005971300000000, 0.0000337000000000 ] - [ -0.0009158800000000, -0.0008476500000000, 0.0019891900000000 ] - [ -0.0000159900000000, -0.0004585400000000, 0.0001388800000000 ] - [ -0.0000570400000000, 0.0007032400000000, -0.0001596100000000 ] - [ -0.0005239000000000, -0.0008634200000000, -0.0005993000000000 ] - [ -0.0080426300000000, 0.0002665200000000, 0.0032364200000000 ] - [ -0.0000551500000000, -0.0007782500000000, 0.0002906100000000 ] - [ -0.1414167200000000, 0.0991642500000000, -0.0990428900000000 ] - [ -0.0010089400000000, -0.0001948600000000, 0.0000988500000000 ] - [ -0.0005385600000000, 0.0000141400000000, 0.0003386100000000 ] - [ -0.0003322600000000, -0.0007481300000000, -0.0005958000000000 ] - [ -0.0010623500000000, -0.0013038100000000, 0.0012777700000000 ] - [ -0.0006248100000000, -0.0010311000000000, -0.0003855600000000 ] - [ -0.0001986800000000, -0.0007496300000000, -0.0007723100000000 ] - [ -0.0003973100000000, 0.0022716300000000, 0.0008734600000000 ] - [ -0.0008541300000000, 0.0001161900000000, 0.0003640500000000 ] - [ -0.0000426000000000, 0.0008836500000000, 0.0005629000000000 ] - [ -0.0002583600000000, -0.0008815900000000, -0.0006577200000000 ] - [ 0.0012469300000000, -0.0022968200000000, 0.0011818200000000 ] - [ 0.0004319500000000, -0.0015993800000000, -0.0029666900000000 ] - [ -0.0000319100000000, -0.0000358300000000, -0.0003738400000000 ] - [ 0.0002842200000000, 0.0005287300000000, 0.0001466100000000 ] - [ 0.0046619300000000, 0.0039098700000000, 0.0011986900000000 ] - [ -0.0007376400000000, 0.0000227100000000, 0.0007662300000000 ] - [ 0.0019210800000000, -0.0017273100000000, 0.0029418700000000 ] - [ 0.0003902600000000, -0.0007854600000000, 0.0007889200000000 ] - [ 0.0006460300000000, 0.0005911400000000, 0.0003309300000000 ] - [ -0.0001485600000000, -0.0005042600000000, 0.0003629200000000 ] - [ 0.0005377400000000, 0.0006404700000000, 0.0001144500000000 ] - [ 0.0004219000000000, -0.0009009400000000, -0.0005035800000000 ] - [ 0.0012271500000000, -0.0005107400000000, 0.0001989800000000 ] - [ 0.0008805000000000, -0.0001799300000000, -0.0009922500000000 ] - [ 0.0001160900000000, 0.0004603600000000, -0.0007716100000000 ] - [ 0.0002136200000000, 0.0004639800000000, -0.0002417100000000 ] - [ 0.0001976500000000, 0.0003029800000000, -0.0005480000000000 ] - [ -0.0000597900000000, 0.0000280400000000, -0.0003841300000000 ] - [ 0.0019216100000000, 0.0002036200000000, 0.0000246700000000 ] - [ 0.0027099600000000, -0.0001214900000000, -0.0002023300000000 ] - [ 0.0004757400000000, -0.0001260200000000, -0.0000002100000000 ] - [ 0.0002042200000000, 0.0005232500000000, -0.0000597500000000 ] - [ 0.0009335200000000, -0.0002790700000000, 0.0011225600000000 ] - [ -0.0003305400000000, 0.0007376200000000, 0.0000111400000000 ] - [ 0.0012671100000000, 0.0007706300000000, -0.0000200400000000 ] - [ 0.0003614900000000, -0.0002143900000000, -0.0003872000000000 ] - [ 0.0006629000000000, 0.0005197800000000, -0.0000561100000000 ] - [ 0.0003434900000000, -0.0000010100000000, 0.0000271200000000 ] - [ 0.0000278600000000, 0.0004298800000000, -0.0002458300000000 ] - [ 0.0003200200000000, -0.0001020300000000, 0.0001354400000000 ] - [ 0.0020631300000000, 0.0000050600000000, 0.0001410400000000 ] - [ 0.0011774200000000, 0.0004304500000000, 0.0010896400000000 ] - [ 0.0031664600000000, -0.0000664600000000, 0.0000827900000000 ] - [ 0.0008594900000000, 0.0004080300000000, 0.0010495400000000 ] - [ 0.0008375400000000, -0.0002794100000000, 0.0003432300000000 ] - [ 0.0000470200000000, 0.0000519900000000, -0.0002360400000000 ] - [ 0.0003375600000000, -0.0004494400000000, 0.0007056500000000 ] - [ 0.0003264300000000, 0.0004144100000000, -0.0004815400000000 ] - [ 0.0010774200000000, 0.0010823500000000, 0.0009589200000000 ] - [ 0.0003159100000000, 0.0009880200000000, -0.0002537300000000 ] - [ 0.0003859200000000, -0.0002851300000000, -0.0003134600000000 ] - [ 0.0006218800000000, -0.0004814600000000, -0.0003508700000000 ] - [ 0.0007388100000000, -0.0004554700000000, -0.0005762800000000 ] - [ -0.0005026800000000, 0.0001792100000000, -0.0006720900000000 ] - [ -0.0006799300000000, 0.0007451300000000, -0.0000257200000000 ] - [ -0.0001611100000000, 0.0003087700000000, 0.0007050900000000 ] - [ 0.0002677100000000, -0.0007217200000000, 0.0004070100000000 ] - [ -0.0003061700000000, 0.0004723000000000, -0.0004425400000000 ] - [ 0.0006709900000000, -0.0012670000000000, 0.0012479900000000 ] - [ 0.0011978300000000, 0.0029212400000000, -0.0024853300000000 ] - [ 0.0149194200000000, -0.0047229300000000, 0.0093151800000000 ] - [ -0.0009465200000000, 0.0004400700000000, -0.0004459600000000 ] - [ -0.0001763800000000, -0.0002079600000000, -0.0020701200000000 ] - [ -0.0005898600000000, -0.0002090600000000, 0.0007745300000000 ] - [ -0.0005579300000000, -0.0005478700000000, 0.0001144500000000 ] - [ -0.0010638900000000, 0.0001801200000000, 0.0000097300000000 ] - [ -0.0004921400000000, -0.0000878100000000, 0.0000090100000000 ] - [ -0.0000889600000000, -0.0009760100000000, -0.0002020300000000 ] - [ -0.0001505800000000, 0.0000265300000000, 0.0001262600000000 ] - [ -0.0046102900000000, -0.0081378800000000, 0.0006008800000000 ] - [ -0.0002853600000000, 0.0001468100000000, -0.0002687900000000 ] - [ -0.0008298200000000, -0.0006522900000000, 0.0003342200000000 ]- atom: 80 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031323600000000, -0.0015877700000000, -0.0001008500000000 ] - [ -0.0010064600000000, -0.0003209600000000, 0.0000781100000000 ] - [ -0.0025840100000000, -0.0000056400000000, 0.0015948700000000 ] - [ 0.0003649200000000, 0.0001555600000000, 0.0000366800000000 ] - [ 0.0000278500000000, 0.0003575600000000, 0.0004941900000000 ] - [ -0.0006569600000000, -0.0009277200000000, 0.0007219900000000 ] - [ -0.0004232100000000, -0.0000173900000000, 0.0004304300000000 ] - [ -0.0001664200000000, 0.0002134400000000, 0.0001153300000000 ] - [ -0.0003091500000000, -0.0005074700000000, 0.0000824500000000 ] - [ 0.0005907400000000, 0.0003774400000000, 0.0002789300000000 ] - [ 0.0009192000000000, -0.0000835800000000, -0.0004588500000000 ] - [ 0.0000136000000000, 0.0003856200000000, 0.0000120000000000 ] - [ 0.0009524400000000, 0.0004464500000000, 0.0000469900000000 ] - [ 0.0001779300000000, 0.0000071000000000, 0.0004934000000000 ] - [ 0.0001833500000000, 0.0002290600000000, -0.0003876600000000 ] - [ 0.0011369200000000, -0.0004001000000000, -0.0005221000000000 ] - [ 0.0000961000000000, -0.0005079800000000, -0.0002744800000000 ] - [ 0.0004604500000000, 0.0001814100000000, -0.0002649800000000 ] - [ -0.0003918500000000, 0.0000145700000000, -0.0001892300000000 ] - [ 0.0011637600000000, -0.0014466600000000, -0.0008002900000000 ] - [ -0.0007879500000000, 0.0002914800000000, 0.0022377400000000 ] - [ -0.0001905100000000, -0.0002747400000000, -0.0004561700000000 ] - [ -0.0001677600000000, 0.0001156400000000, 0.0004571700000000 ] - [ -0.0005803200000000, -0.0004184100000000, 0.0001626900000000 ] - [ -0.0025290200000000, -0.0012126500000000, -0.0020355800000000 ] - [ -0.0014480300000000, 0.0012662000000000, -0.0008916000000000 ] - [ 0.0007623300000000, -0.0011578900000000, -0.0011401800000000 ] - [ -0.0004217400000000, -0.0001527100000000, 0.0000580600000000 ] - [ 0.0015153800000000, 0.0011908800000000, 0.0013070900000000 ] - [ 0.0006062700000000, 0.0003235300000000, 0.0003968600000000 ] - [ 0.0011061100000000, 0.0003525600000000, -0.0004128500000000 ] - [ 0.0008641900000000, 0.0004166100000000, -0.0007053900000000 ] - [ 0.0061198100000000, 0.0051453600000000, -0.0020552300000000 ] - [ -0.0005454100000000, 0.0005150200000000, 0.0003621700000000 ] - [ -0.0007978200000000, -0.0003637700000000, -0.0004068200000000 ] - [ -0.0017300400000000, -0.0007704600000000, 0.0002424000000000 ] - [ -0.0014032400000000, -0.0006969300000000, 0.0003939000000000 ] - [ -0.0003780200000000, -0.0000151500000000, 0.0004580100000000 ] - [ -0.0003625200000000, -0.0025283400000000, 0.0026515000000000 ] - [ 0.0005927800000000, 0.0006167000000000, 0.0016313000000000 ] - [ 0.0017895000000000, -0.0015533500000000, -0.0009085500000000 ] - [ 0.0007241700000000, -0.0002691300000000, -0.0007235500000000 ] - [ 0.0007925700000000, -0.0002344100000000, 0.0002438800000000 ] - [ 0.0010037900000000, -0.0003445700000000, 0.0004078500000000 ] - [ 0.0040907900000000, -0.0008522200000000, -0.0004731900000000 ] - [ 0.0011796500000000, -0.0001839900000000, 0.0002739900000000 ] - [ -0.0000141400000000, 0.0008675200000000, 0.0022035700000000 ] - [ 0.0008398100000000, -0.0008046500000000, 0.0006821500000000 ] - [ 0.0010503000000000, 0.0017340400000000, -0.0025844100000000 ] - [ 0.0004149900000000, -0.0001367200000000, -0.0000775800000000 ] - [ -0.1296418800000000, 0.0896362300000000, -0.0893068200000000 ] - [ -0.0007689100000000, 0.0003228900000000, -0.0000904700000000 ] - [ 0.0002169700000000, 0.0005779300000000, -0.0001530200000000 ] - [ -0.0007252200000000, -0.0015561200000000, -0.0013694000000000 ] - [ 0.0001410000000000, -0.0000053600000000, -0.0004652200000000 ] - [ -0.0001911000000000, -0.0002093700000000, 0.0004243500000000 ] - [ 0.0004412600000000, 0.0001079800000000, 0.0001633300000000 ] - [ 0.0008759300000000, 0.0034077900000000, 0.0018317300000000 ] - [ -0.0003986400000000, -0.0001932400000000, 0.0000378800000000 ] - [ 0.0010442200000000, -0.0007426700000000, 0.0009319300000000 ] - [ 0.0001021800000000, 0.0001011100000000, 0.0006576100000000 ] - [ -0.0000863500000000, -0.0001270100000000, -0.0006148400000000 ] - [ 0.0001473100000000, 0.0006143500000000, -0.0001097900000000 ] - [ -0.0000474600000000, -0.0007069500000000, 0.0000553200000000 ] - [ 0.0004776400000000, -0.0002632000000000, -0.0001753900000000 ] - [ 0.0004023100000000, 0.0003437900000000, 0.0002716000000000 ] - [ 0.0002451200000000, -0.0000050600000000, 0.0006540500000000 ] - [ 0.0006801800000000, -0.0001581500000000, -0.0007024200000000 ] - [ 0.0008918400000000, 0.0000339000000000, -0.0000679200000000 ] - [ 0.0006016100000000, -0.0002921900000000, -0.0001067100000000 ] - [ -0.0004275800000000, 0.0002792300000000, -0.0002785900000000 ] - [ -0.0008400300000000, -0.0002421200000000, -0.0000057300000000 ] - [ -0.0006737900000000, 0.0004049800000000, -0.0014850200000000 ] - [ 0.0004387500000000, 0.0005602600000000, -0.0010816900000000 ] - [ -0.0002745600000000, -0.0004544800000000, 0.0003276800000000 ] - [ -0.0001373000000000, 0.0007518600000000, 0.0001123500000000 ] - [ 0.0018003000000000, -0.0003621000000000, 0.0004315900000000 ] - [ 0.0078726900000000, 0.0003106800000000, -0.0021393300000000 ] - [ 0.0006508200000000, -0.0003067000000000, -0.0000590100000000 ] - [ 0.1427184700000000, -0.1024491800000000, 0.1025669300000000 ] - [ 0.0002391000000000, -0.0005948300000000, 0.0001249700000000 ] - [ 0.0006053200000000, 0.0000522300000000, -0.0004039000000000 ] - [ 0.0011298600000000, 0.0005266600000000, -0.0001695500000000 ] - [ 0.0016104400000000, 0.0008060800000000, -0.0023224200000000 ] - [ 0.0008575100000000, 0.0002756500000000, -0.0003987700000000 ] - [ 0.0003719400000000, -0.0005323200000000, -0.0004681700000000 ] - [ 0.0007661900000000, -0.0022504100000000, -0.0016183100000000 ] - [ -0.0002245800000000, 0.0001004100000000, 0.0002249800000000 ] - [ 0.0000749500000000, -0.0001350100000000, -0.0009350100000000 ] - [ -0.0001276000000000, 0.0004969500000000, 0.0002749500000000 ] - [ -0.0007385100000000, 0.0033167200000000, -0.0006349700000000 ] - [ -0.0011846600000000, 0.0012190000000000, 0.0029338500000000 ] - [ 0.0003353400000000, -0.0002728400000000, 0.0000665300000000 ] - [ 0.0007663700000000, 0.0000254200000000, 0.0003454900000000 ] - [ -0.0033980300000000, -0.0036926600000000, 0.0000763600000000 ] - [ -0.0005050600000000, -0.0001970400000000, 0.0005164900000000 ] - [ -0.0029660900000000, 0.0011633100000000, -0.0024356700000000 ] - [ -0.0006972800000000, 0.0010900700000000, -0.0010947000000000 ] - [ 0.0000946800000000, -0.0002074200000000, -0.0003564900000000 ] - [ -0.0003531000000000, -0.0005394500000000, 0.0001869400000000 ] - [ -0.0001583100000000, -0.0002571300000000, -0.0004966800000000 ] - [ -0.0004641000000000, 0.0001505200000000, 0.0001334200000000 ] - [ -0.0001546800000000, 0.0003017600000000, 0.0003853400000000 ] - [ -0.0012626100000000, 0.0001504400000000, 0.0002475000000000 ] - [ -0.0002931100000000, 0.0008219400000000, -0.0004681900000000 ] - [ -0.0004449800000000, 0.0002970000000000, -0.0005430600000000 ] - [ -0.0007617700000000, 0.0001877800000000, -0.0005149900000000 ] - [ -0.0007299300000000, 0.0001922000000000, -0.0003811800000000 ] - [ -0.0019914800000000, -0.0002757900000000, -0.0000999100000000 ] - [ -0.0019471800000000, 0.0009196300000000, 0.0004292400000000 ] - [ -0.0001930600000000, -0.0001582800000000, -0.0002841000000000 ] - [ -0.0008057200000000, 0.0005661700000000, 0.0002960000000000 ] - [ -0.0007015000000000, -0.0003178900000000, -0.0000321700000000 ] - [ -0.0009513800000000, 0.0005024600000000, -0.0001867400000000 ] - [ 0.0000154800000000, 0.0004668300000000, 0.0001964300000000 ] - [ -0.0005886700000000, -0.0003796200000000, -0.0006948100000000 ] - [ -0.0000685300000000, 0.0005666300000000, -0.0001709000000000 ] - [ -0.0006268900000000, -0.0002830600000000, 0.0002558500000000 ] - [ -0.0007926400000000, 0.0003609500000000, 0.0000234500000000 ] - [ -0.0002521200000000, 0.0000339800000000, -0.0000663600000000 ] - [ -0.0012690500000000, 0.0002195300000000, 0.0006218900000000 ] - [ -0.0006228900000000, 0.0000614300000000, -0.0000386100000000 ] - [ -0.0029427800000000, 0.0008229100000000, 0.0007092500000000 ] - [ -0.0006872700000000, 0.0008744000000000, 0.0001843900000000 ] - [ -0.0004507300000000, 0.0002580900000000, 0.0003998900000000 ] - [ -0.0011287200000000, -0.0002791700000000, -0.0003588800000000 ] - [ -0.0003090400000000, -0.0002943900000000, -0.0003275600000000 ] - [ -0.0007112100000000, -0.0000284500000000, 0.0008676800000000 ] - [ -0.0005803100000000, -0.0021367600000000, -0.0015124300000000 ] - [ -0.0010623600000000, -0.0006124500000000, 0.0002813000000000 ] - [ -0.0000756800000000, 0.0005933900000000, 0.0006206400000000 ] - [ 0.0004313600000000, -0.0000740200000000, -0.0001447400000000 ] - [ 0.0005057300000000, 0.0002766800000000, -0.0007044400000000 ] - [ -0.0007371900000000, -0.0000040100000000, -0.0006103200000000 ] - [ -0.0003680600000000, -0.0001977600000000, -0.0004705900000000 ] - [ -0.0001439700000000, -0.0006175200000000, -0.0004000700000000 ] - [ 0.0004815100000000, 0.0003458200000000, -0.0003780800000000 ] - [ -0.0001870800000000, 0.0005799000000000, -0.0001128300000000 ] - [ -0.0002790500000000, 0.0008854300000000, -0.0008632400000000 ] - [ -0.0012340400000000, -0.0021824600000000, 0.0028676400000000 ] - [ -0.0142346200000000, 0.0050413000000000, -0.0101373100000000 ] - [ 0.0005672900000000, -0.0004163200000000, 0.0011933600000000 ] - [ 0.0000108500000000, -0.0010761900000000, 0.0033152900000000 ] - [ 0.0003736800000000, -0.0005575900000000, 0.0000189200000000 ] - [ 0.0000043600000000, 0.0000558500000000, 0.0009413700000000 ] - [ 0.0002746300000000, -0.0003958100000000, 0.0007598900000000 ] - [ 0.0004218900000000, 0.0001601100000000, 0.0000618800000000 ] - [ 0.0008519800000000, 0.0001819300000000, -0.0000238800000000 ] - [ 0.0004338000000000, 0.0002557200000000, 0.0001578300000000 ] - [ 0.0040742600000000, 0.0071000400000000, -0.0008334800000000 ] - [ 0.0005087700000000, 0.0004458400000000, -0.0008118700000000 ] - [ -0.0004482400000000, -0.0005899600000000, -0.0001547900000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006561900000000, -0.0004760600000000, -0.0004297100000000 ] - [ 0.0004949700000000, -0.0000145400000000, -0.0002185700000000 ] - [ 0.0009199700000000, -0.0002272500000000, -0.0001530900000000 ] - [ 0.0009323700000000, 0.0005977800000000, 0.0001133400000000 ] - [ 0.0004078600000000, 0.0029037400000000, 0.0009828100000000 ] - [ 0.0003769700000000, -0.0001755200000000, -0.0006366200000000 ] - [ -0.0012521300000000, -0.0030982600000000, 0.0021684500000000 ] - [ -0.0000169300000000, -0.0005693200000000, -0.0000410500000000 ] - [ -0.0005282500000000, -0.0001491900000000, 0.0000714000000000 ] - [ -0.0012649900000000, -0.0000415400000000, 0.0000325400000000 ] - [ -0.0004550800000000, 0.0000831500000000, -0.0001393400000000 ] - [ -0.0010684600000000, 0.0003833900000000, 0.0000541900000000 ] - [ -0.0004383300000000, 0.0004509900000000, -0.0001529900000000 ] - [ -0.0005961000000000, -0.0000468800000000, 0.0004282500000000 ] - [ -0.0005358100000000, 0.0002767200000000, -0.0004382600000000 ] - [ -0.0002902500000000, -0.0002835500000000, -0.0004055300000000 ] - [ -0.0021104800000000, -0.0014715400000000, -0.0002394800000000 ] - [ 0.0003723200000000, -0.0001609500000000, -0.0002604700000000 ] - [ -0.0006028800000000, 0.0003446400000000, -0.0001810300000000 ] - [ -0.0001386500000000, 0.0004862700000000, -0.0003463700000000 ] - [ -0.0021399200000000, 0.0007832900000000, 0.0027206600000000 ] - [ 0.0003153500000000, -0.0003198100000000, -0.0005550000000000 ] - [ 0.0040139700000000, 0.0011539600000000, 0.0008653800000000 ] - [ 0.0004387100000000, 0.0003164900000000, -0.0003396600000000 ] - [ 0.0008089200000000, -0.0005352600000000, -0.0001043800000000 ] - [ 0.0104525100000000, 0.0063127600000000, 0.0129198100000000 ] - [ 0.0010072100000000, 0.0010276000000000, -0.0011250300000000 ] - [ -0.0000327200000000, -0.0008232400000000, 0.0005120500000000 ] - [ -0.0007476000000000, -0.0000856100000000, 0.0009913400000000 ] - [ -0.0028107600000000, 0.0015535100000000, 0.0004745400000000 ] - [ -0.0010786300000000, 0.0002275600000000, -0.0007880300000000 ] - [ -0.0004885600000000, 0.0002631200000000, -0.0005170700000000 ] - [ 0.0002159100000000, 0.0000135700000000, 0.0000826500000000 ] - [ -0.0070078000000000, 0.0029827700000000, -0.0026332400000000 ] - [ 0.0001687600000000, -0.0000605600000000, -0.0002586400000000 ] - [ 0.0033070700000000, -0.0048981000000000, -0.0024043000000000 ] - [ 0.0007144400000000, 0.0007893100000000, -0.0000098400000000 ] - [ 0.0016791000000000, -0.0000428100000000, 0.0008199900000000 ] - [ 0.0016220300000000, 0.0001630700000000, 0.0001569600000000 ] - [ 0.0005627500000000, -0.0003850400000000, 0.0004290100000000 ] - [ -0.0025951000000000, 0.0044517200000000, -0.0016417100000000 ] - [ -0.0012300400000000, -0.0061823700000000, -0.0007896900000000 ] - [ -0.0010459900000000, -0.0002574400000000, -0.0001279900000000 ] - [ -0.0009854600000000, 0.0002517200000000, 0.0010848600000000 ] - [ -0.0015089700000000, -0.0005235000000000, -0.0008771100000000 ] - [ -0.0049801300000000, -0.0015001400000000, 0.0008188300000000 ] - [ -0.0027152200000000, -0.0021449300000000, 0.0018120100000000 ] - [ -0.0008493000000000, 0.0021450800000000, 0.0015632000000000 ] - [ -0.0007275600000000, -0.0009479700000000, -0.0016640000000000 ] - [ 0.0003068000000000, 0.0015066000000000, -0.0015604100000000 ] - [ 0.0009732400000000, 0.0001671900000000, -0.0011889700000000 ] - [ 0.0795763100000000, -0.0369410400000000, 0.0613192200000000 ] - [ 0.0001697700000000, 0.0009236300000000, -0.0001309200000000 ] - [ 0.0016059300000000, 0.0003278900000000, -0.0008545500000000 ] - [ 0.0003234200000000, -0.0001757200000000, -0.0004373900000000 ] - [ 0.0000341500000000, -0.0000764800000000, 0.0007028000000000 ] - [ -0.0090923800000000, 0.0060422200000000, 0.0080140600000000 ] - [ 0.0006950900000000, 0.0001567100000000, -0.0000594300000000 ] - [ -0.0030108300000000, 0.0005814500000000, -0.0044765300000000 ] - [ -0.0008945900000000, -0.0000206000000000, 0.0000119500000000 ] - [ -0.0001614100000000, 0.0001665700000000, 0.0008717400000000 ] - [ -0.0004998400000000, 0.0006111500000000, -0.0003170400000000 ] - [ -0.0002645700000000, 0.0003381600000000, -0.0001664000000000 ] - [ -0.0001856000000000, -0.0006122200000000, 0.0000989900000000 ] - [ -0.0000115000000000, -0.0007196000000000, -0.0000682900000000 ] - [ -0.0001605500000000, 0.0005865700000000, 0.0001331400000000 ] - [ -0.0003250000000000, -0.0001596200000000, 0.0007684800000000 ] - [ -0.0002204700000000, 0.0002135400000000, -0.0003876600000000 ] - [ 0.0002234900000000, -0.0000970700000000, -0.0002068600000000 ] - [ 0.0004100800000000, -0.0001936300000000, -0.0000498500000000 ] - [ -0.0005786300000000, -0.0000482300000000, -0.0000327400000000 ] - [ -0.0005841900000000, 0.0000839600000000, -0.0001136400000000 ] - [ -0.0007578100000000, 0.0021020600000000, -0.0044131200000000 ] - [ -0.0003802800000000, -0.0008321900000000, -0.0002045900000000 ] - [ -0.0004945200000000, -0.0000464500000000, 0.0003744900000000 ] - [ 0.0020751000000000, 0.0039690100000000, 0.0011722400000000 ] - [ -0.0005479500000000, -0.0011144400000000, 0.0001064100000000 ] - [ -0.0021434400000000, 0.0005099000000000, 0.0010348300000000 ] - [ -0.0012422700000000, 0.0004974000000000, -0.0004372300000000 ] - [ -0.0007694700000000, 0.0003572200000000, 0.0002965900000000 ] - [ -0.1197304400000000, 0.0385866600000000, -0.0957082100000000 ] - [ -0.0095348700000000, 0.0000209100000000, -0.0014885900000000 ] - [ 0.0000546300000000, -0.0002701800000000, -0.0001672300000000 ] - [ -0.0020532100000000, 0.0000633900000000, 0.0002506600000000 ] - [ -0.0006049500000000, -0.0008446800000000, -0.0000041100000000 ] - [ -0.0001428700000000, -0.0006527500000000, -0.0005882200000000 ] - [ -0.0004040300000000, -0.0000498600000000, -0.0002515400000000 ] - [ -0.0016695800000000, 0.0002778900000000, -0.0000207300000000 ] - [ -0.0004299400000000, 0.0003244200000000, -0.0003359300000000 ] - [ 0.0002065800000000, -0.0026432500000000, 0.0009145100000000 ] - [ -0.0002061700000000, 0.0006550900000000, 0.0008949700000000 ] - [ 0.0025745900000000, -0.0038651500000000, 0.0051225400000000 ] - [ -0.0003105600000000, 0.0012817400000000, 0.0004295300000000 ] - [ 0.0055260900000000, 0.0095046000000000, 0.0024108900000000 ] - [ 0.0005445600000000, 0.0002217400000000, 0.0010233500000000 ] - [ 0.0248588100000000, -0.0071478100000000, -0.0112675800000000 ] - [ -0.0008856700000000, -0.0003250700000000, 0.0000691100000000 ] - [ -0.0005879200000000, -0.0000883700000000, -0.0011720300000000 ] - [ 0.0001526700000000, 0.0006317600000000, -0.0003956600000000 ] - [ 0.0000977000000000, 0.0010715900000000, -0.0010664700000000 ] - [ 0.0000760900000000, 0.0002477500000000, -0.0001803400000000 ] - [ 0.0008585400000000, -0.0020192600000000, 0.0012550100000000 ] - [ 0.0009452300000000, -0.0003952300000000, 0.0005416600000000 ] - [ 0.0022037200000000, -0.0015873100000000, 0.0017261000000000 ] - [ 0.0003533500000000, 0.0003035200000000, -0.0007761300000000 ] - [ 0.0002228600000000, 0.0003469100000000, -0.0006317200000000 ] - [ 0.0022433700000000, 0.0013067200000000, 0.0004713300000000 ] - [ 0.0004963300000000, -0.0007595800000000, -0.0008446800000000 ] - [ 0.0007431200000000, 0.0002418000000000, 0.0004875900000000 ] - [ 0.0007626500000000, 0.0004592600000000, 0.0001940600000000 ] - [ 0.0024762900000000, 0.0002360500000000, -0.0007941600000000 ] - [ 0.0000188200000000, 0.0006614500000000, 0.0003020000000000 ] - [ 0.0014811300000000, 0.0000084200000000, 0.0006441300000000 ] - [ -0.0003274800000000, 0.0006163700000000, -0.0002068700000000 ] - [ 0.0010246700000000, 0.0005271400000000, 0.0002044800000000 ] - [ 0.0003178800000000, -0.0002737900000000, -0.0001977800000000 ] - [ 0.0020613300000000, 0.0011870900000000, -0.0005791300000000 ] - [ 0.0002661900000000, -0.0001477300000000, 0.0002267400000000 ] - [ 0.0004264500000000, 0.0004229800000000, -0.0005101400000000 ] - [ 0.0006775700000000, -0.0003279500000000, -0.0000145400000000 ] - [ 0.0009698800000000, 0.0001292100000000, 0.0003501800000000 ] - [ 0.0022123500000000, 0.0005142400000000, 0.0007829200000000 ] - [ 0.0008335500000000, 0.0001690700000000, 0.0007013100000000 ] - [ 0.0010126100000000, 0.0007455900000000, 0.0001368900000000 ] - [ 0.0012189400000000, -0.0003412500000000, -0.0003297200000000 ] - [ 0.0033784800000000, 0.0008782400000000, -0.0000002900000000 ] - [ 0.0016593100000000, -0.0017671900000000, -0.0013826300000000 ] - [ 0.0006524500000000, 0.0006297800000000, 0.0007480800000000 ] - [ 0.0007863800000000, -0.0003801500000000, -0.0008060400000000 ] - [ 0.0002200000000000, 0.0005522000000000, 0.0003779800000000 ] - [ 0.0005349600000000, 0.0000386600000000, 0.0007247300000000 ] - [ 0.0009702300000000, -0.0010538500000000, 0.0000878600000000 ] - [ 0.0005926200000000, -0.0001856900000000, -0.0006584200000000 ] - [ -0.0000804500000000, 0.0004887000000000, -0.0006302400000000 ] - [ -0.0002626200000000, 0.0007706400000000, -0.0005633400000000 ] - [ 0.0019182500000000, 0.0016939300000000, -0.0014967600000000 ] - [ 0.0004959200000000, -0.0007633500000000, -0.0003293900000000 ] - [ 0.0002456300000000, -0.0011687900000000, 0.0020584700000000 ] - [ 0.0004210500000000, -0.0007430600000000, -0.0005757600000000 ] - [ 0.0001758900000000, 0.0007009800000000, 0.0008297200000000 ] - [ -0.0001212200000000, -0.0001203700000000, -0.0002798500000000 ] - [ 0.0003537400000000, 0.0008495000000000, 0.0011779200000000 ] - [ 0.0003532500000000, -0.0017007200000000, 0.0037427900000000 ] - [ 0.0137869600000000, -0.0162260900000000, 0.0078607400000000 ] - [ -0.0008963600000000, -0.0005018000000000, 0.0011837400000000 ] - [ 0.0045769000000000, 0.0018398100000000, 0.0162518700000000 ] - [ -0.0004277700000000, 0.0000305700000000, 0.0002753900000000 ] - [ -0.0001156600000000, -0.0005378100000000, -0.0003372200000000 ] - [ -0.0003299000000000, -0.0000938500000000, -0.0000291200000000 ] - [ -0.0006315800000000, -0.0003133700000000, 0.0002069500000000 ] - [ -0.0004945700000000, 0.0002903400000000, -0.0007063400000000 ] - [ -0.0020861200000000, -0.0028761500000000, -0.0007627200000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001858800000000, -0.0003544600000000, 0.0002776300000000 ] - [ -0.0010932300000000, 0.0001104300000000, -0.0007837800000000 ] - [ -0.0010693300000000, -0.0002517500000000, 0.0009702300000000 ] - [ 0.0000692500000000, 0.0000013900000000, -0.0000252500000000 ] - [ -0.0003081300000000, -0.0018916300000000, -0.0003840200000000 ] - [ 0.0004549000000000, 0.0003243800000000, 0.0011086200000000 ] - [ 0.0004377900000000, 0.0029288200000000, -0.0016879600000000 ] - [ -0.0000732900000000, -0.0004298800000000, 0.0006387500000000 ] - [ -0.0004711200000000, -0.0004463700000000, 0.0000189300000000 ] - [ 0.0014173000000000, 0.0005079200000000, 0.0007936200000000 ] - [ 0.0010500000000000, -0.0001721700000000, -0.0008576100000000 ] - [ 0.0005998900000000, 0.0004434800000000, -0.0002076800000000 ] - [ 0.0009069500000000, 0.0003775800000000, 0.0003044800000000 ] - [ -0.0000002900000000, -0.0000445500000000, 0.0005719900000000 ] - [ 0.0003830500000000, 0.0001942500000000, -0.0003922700000000 ] - [ 0.0012883600000000, -0.0003146800000000, 0.0003181100000000 ] - [ 0.0022036900000000, 0.0004740500000000, -0.0003556000000000 ] - [ 0.0004559300000000, 0.0000107500000000, -0.0002113200000000 ] - [ -0.0002274700000000, -0.0001913900000000, -0.0002903500000000 ] - [ 0.0000452700000000, 0.0005153600000000, -0.0002533300000000 ] - [ 0.0011404000000000, -0.0001896500000000, -0.0028259400000000 ] - [ -0.0001639500000000, -0.0001485100000000, -0.0002749400000000 ] - [ -0.0033994600000000, -0.0010949500000000, 0.0001485900000000 ] - [ -0.0009168000000000, -0.0011294900000000, 0.0004965800000000 ] - [ -0.0003866000000000, -0.0005647800000000, 0.0007428500000000 ] - [ -0.0098482900000000, -0.0065721500000000, -0.0113630500000000 ] - [ 0.0001013600000000, -0.0003861600000000, 0.0006997500000000 ] - [ -0.0010691900000000, 0.0001898300000000, -0.0009343300000000 ] - [ 0.0001134400000000, 0.0005025100000000, 0.0001202100000000 ] - [ 0.0023792000000000, -0.0004414600000000, 0.0001603200000000 ] - [ 0.0015043900000000, 0.0008798200000000, 0.0001497100000000 ] - [ 0.0011233700000000, 0.0001620200000000, -0.0005881500000000 ] - [ 0.0008850800000000, -0.0006576500000000, 0.0003423100000000 ] - [ 0.0059176400000000, -0.0023505600000000, 0.0030759400000000 ] - [ -0.0008108800000000, -0.0003632800000000, -0.0008473400000000 ] - [ -0.0037412000000000, 0.0038003500000000, 0.0017583400000000 ] - [ -0.0013841200000000, -0.0001172900000000, 0.0006779300000000 ] - [ -0.0011286100000000, 0.0005833100000000, -0.0002712600000000 ] - [ -0.0025214000000000, 0.0007430600000000, -0.0010575200000000 ] - [ -0.0010484300000000, -0.0001101600000000, 0.0000720000000000 ] - [ 0.0031070700000000, -0.0039428400000000, 0.0021211600000000 ] - [ 0.0021469300000000, 0.0052880000000000, -0.0001205100000000 ] - [ 0.0005003800000000, -0.0002855000000000, 0.0006725100000000 ] - [ 0.0016502700000000, -0.0009143700000000, -0.0004099000000000 ] - [ 0.0008401300000000, -0.0001462100000000, 0.0002062600000000 ] - [ 0.0055104100000000, 0.0009453700000000, -0.0013560900000000 ] - [ 0.0018012700000000, 0.0012387500000000, -0.0009088500000000 ] - [ 0.0003457600000000, -0.0016483200000000, -0.0020722300000000 ] - [ 0.0012286800000000, 0.0004461400000000, 0.0011668800000000 ] - [ 0.0005960200000000, -0.0005935500000000, 0.0024734500000000 ] - [ -0.0015316500000000, 0.0003712200000000, 0.0006791600000000 ] - [ -0.0798411100000000, 0.0391186700000000, -0.0644815500000000 ] - [ 0.0000242200000000, 0.0005284400000000, 0.0001749300000000 ] - [ -0.0013120300000000, -0.0012416900000000, 0.0003884200000000 ] - [ 0.0001422200000000, -0.0001104200000000, -0.0004774900000000 ] - [ -0.0000783800000000, -0.0001154400000000, 0.0007515200000000 ] - [ 0.0105990000000000, -0.0059752700000000, -0.0077720800000000 ] - [ 0.0002202600000000, 0.0003088200000000, 0.0003467700000000 ] - [ 0.0020854600000000, -0.0010431800000000, 0.0047399600000000 ] - [ -0.0005565000000000, -0.0000244500000000, 0.0001817100000000 ] - [ 0.0002061900000000, 0.0000273200000000, 0.0005806600000000 ] - [ 0.0000338800000000, -0.0003218900000000, -0.0005970500000000 ] - [ -0.0000228900000000, 0.0005755900000000, -0.0002985400000000 ] - [ -0.0000077000000000, -0.0008403600000000, -0.0000542000000000 ] - [ 0.0002040500000000, -0.0007346100000000, 0.0000243000000000 ] - [ 0.0004496900000000, 0.0003271600000000, 0.0003328700000000 ] - [ 0.0007913800000000, 0.0004478200000000, 0.0001444800000000 ] - [ 0.0001759100000000, -0.0000211800000000, -0.0010675400000000 ] - [ 0.0012299500000000, 0.0000530300000000, 0.0000146000000000 ] - [ 0.0005029100000000, -0.0002722600000000, -0.0002399000000000 ] - [ -0.0003362400000000, 0.0005146400000000, -0.0002554400000000 ] - [ -0.0008700900000000, -0.0000391900000000, -0.0000793600000000 ] - [ 0.0008010600000000, -0.0023104000000000, 0.0029706000000000 ] - [ -0.0000857800000000, 0.0005388700000000, 0.0011178900000000 ] - [ 0.0002035200000000, -0.0008673500000000, 0.0000912700000000 ] - [ -0.0022866800000000, -0.0025276700000000, -0.0012212900000000 ] - [ 0.0018183600000000, -0.0001219300000000, -0.0002854900000000 ] - [ 0.0019725600000000, 0.0000665100000000, -0.0000072300000000 ] - [ 0.0018231900000000, -0.0015727100000000, 0.0006470100000000 ] - [ 0.0004772000000000, -0.0000628300000000, -0.0005933700000000 ] - [ 0.1194931000000000, -0.0411380600000000, 0.0985882600000000 ] - [ 0.0096554400000000, -0.0000011100000000, 0.0014948800000000 ] - [ 0.0007252500000000, 0.0000441700000000, -0.0006004200000000 ] - [ 0.0026075900000000, -0.0005710700000000, -0.0012845000000000 ] - [ 0.0008271200000000, 0.0000768100000000, -0.0007736900000000 ] - [ 0.0003176500000000, -0.0006242600000000, -0.0006507600000000 ] - [ 0.0007731200000000, 0.0000810100000000, -0.0004865200000000 ] - [ 0.0005808900000000, -0.0000708900000000, 0.0006014800000000 ] - [ 0.0004681600000000, 0.0004163800000000, -0.0000316400000000 ] - [ -0.0005835700000000, 0.0022542500000000, -0.0012829900000000 ] - [ 0.0007112600000000, 0.0003845400000000, -0.0003376500000000 ] - [ -0.0033064700000000, 0.0034787800000000, -0.0051081100000000 ] - [ 0.0006211300000000, -0.0015930400000000, -0.0007398500000000 ] - [ -0.0044754400000000, -0.0089123600000000, -0.0018925200000000 ] - [ 0.0006915200000000, -0.0000440200000000, 0.0002508100000000 ] - [ -0.0255617000000000, 0.0068208100000000, 0.0121764200000000 ] - [ -0.0001610800000000, -0.0002327000000000, 0.0004329200000000 ] - [ 0.0002709900000000, 0.0003985500000000, 0.0008504100000000 ] - [ 0.0005815900000000, -0.0002505200000000, 0.0003586700000000 ] - [ -0.0006108200000000, -0.0021025700000000, 0.0016200000000000 ] - [ 0.0002954800000000, 0.0001254100000000, -0.0001940900000000 ] - [ -0.0009001300000000, 0.0012735500000000, -0.0016245700000000 ] - [ 0.0001406400000000, 0.0001811300000000, 0.0000452800000000 ] - [ -0.0025763100000000, 0.0015422400000000, -0.0024486600000000 ] - [ -0.0005297800000000, 0.0009690500000000, -0.0004623700000000 ] - [ -0.0004571300000000, 0.0004143400000000, -0.0001443200000000 ] - [ -0.0028041400000000, -0.0008003400000000, -0.0015121900000000 ] - [ -0.0012741200000000, 0.0009785600000000, 0.0000761400000000 ] - [ -0.0008043000000000, -0.0003018700000000, -0.0005488300000000 ] - [ 0.0000040500000000, 0.0003245500000000, 0.0000285100000000 ] - [ -0.0021815600000000, -0.0005182800000000, 0.0005048900000000 ] - [ -0.0006078400000000, 0.0004261100000000, -0.0000858500000000 ] - [ -0.0012607000000000, -0.0005947500000000, 0.0004397400000000 ] - [ -0.0009460300000000, 0.0006230400000000, 0.0000295000000000 ] - [ 0.0002512600000000, 0.0007141400000000, -0.0000296100000000 ] - [ -0.0005321300000000, -0.0003141900000000, -0.0008911000000000 ] - [ -0.0014673200000000, -0.0000967100000000, 0.0003646100000000 ] - [ -0.0005554200000000, -0.0001423000000000, 0.0000632000000000 ] - [ -0.0011924200000000, 0.0003550400000000, 0.0002824700000000 ] - [ -0.0006136500000000, 0.0002635700000000, 0.0000763900000000 ] - [ -0.0001868700000000, 0.0000951900000000, 0.0004181400000000 ] - [ -0.0016502100000000, -0.0000099900000000, 0.0002602400000000 ] - [ -0.0006033200000000, 0.0005981700000000, 0.0000751900000000 ] - [ -0.0008368100000000, 0.0005315600000000, 0.0011056800000000 ] - [ -0.0008427100000000, 0.0003058200000000, 0.0010740300000000 ] - [ -0.0044603900000000, -0.0010851400000000, -0.0005871700000000 ] - [ -0.0016241300000000, 0.0010286700000000, 0.0017607900000000 ] - [ -0.0010270000000000, -0.0002530600000000, -0.0003735200000000 ] - [ -0.0002769700000000, -0.0006537900000000, 0.0002526700000000 ] - [ -0.0009632600000000, -0.0001773300000000, -0.0003406600000000 ] - [ -0.0002204300000000, 0.0002739100000000, -0.0004126500000000 ] - [ 0.0000702900000000, 0.0004913800000000, -0.0005964300000000 ] - [ 0.0006490700000000, 0.0000078600000000, -0.0006159400000000 ] - [ -0.0011578400000000, -0.0003145300000000, -0.0006477800000000 ] - [ -0.0007762800000000, -0.0002124000000000, 0.0000578900000000 ] - [ -0.0022339500000000, -0.0020137300000000, 0.0018170300000000 ] - [ 0.0002487000000000, 0.0003880900000000, 0.0003676900000000 ] - [ -0.0007521000000000, 0.0022082300000000, -0.0026246500000000 ] - [ -0.0000431600000000, 0.0003672900000000, 0.0009553300000000 ] - [ -0.0002149900000000, 0.0000476800000000, -0.0004596500000000 ] - [ 0.0012201400000000, 0.0003352700000000, -0.0003086500000000 ] - [ -0.0007234100000000, -0.0008082400000000, -0.0004341400000000 ] - [ -0.0005256300000000, 0.0004383900000000, -0.0025095800000000 ] - [ -0.0142463100000000, 0.0157769100000000, -0.0071971900000000 ] - [ 0.0003409900000000, -0.0000068100000000, -0.0001433100000000 ] - [ -0.0054202600000000, -0.0021160800000000, -0.0157498800000000 ] - [ 0.0003690600000000, 0.0000285100000000, -0.0002169300000000 ] - [ 0.0008848000000000, -0.0002416300000000, 0.0001155900000000 ] - [ 0.0006210500000000, 0.0003853000000000, 0.0003192900000000 ] - [ 0.0000449600000000, -0.0007855100000000, -0.0004342600000000 ] - [ 0.0007099800000000, 0.0002995700000000, -0.0003854700000000 ] - [ 0.0008243700000000, 0.0016443800000000, 0.0009404500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001325300000000, -0.0002416800000000, 0.0001586000000000 ] - [ -0.0002457900000000, -0.0004317600000000, -0.0009812700000000 ] - [ -0.0002772800000000, 0.0009824000000000, 0.0018144900000000 ] - [ 0.0005577500000000, -0.0006296100000000, 0.0002353400000000 ] - [ 0.0009545900000000, -0.0007906400000000, -0.0004177300000000 ] - [ 0.0003795000000000, 0.0005771300000000, 0.0005202100000000 ] - [ -0.0026142300000000, 0.0007222900000000, 0.0005597100000000 ] - [ -0.0000795300000000, -0.0007569000000000, 0.0002284500000000 ] - [ -0.0004712600000000, -0.0005921100000000, 0.0000184800000000 ] - [ 0.0000507700000000, 0.0010456500000000, 0.0004715100000000 ] - [ 0.0004884400000000, -0.0000099700000000, -0.0006183900000000 ] - [ -0.0001498900000000, 0.0002883300000000, 0.0000648000000000 ] - [ 0.0004083300000000, 0.0004772600000000, 0.0003019300000000 ] - [ -0.0002662800000000, -0.0001100800000000, 0.0005646400000000 ] - [ -0.0000050600000000, -0.0001637600000000, -0.0003861000000000 ] - [ 0.0005781000000000, -0.0000021600000000, 0.0000992300000000 ] - [ -0.0005634800000000, 0.0000558600000000, -0.0004792600000000 ] - [ 0.0003693500000000, -0.0002684900000000, -0.0001163800000000 ] - [ -0.0004958100000000, -0.0004762100000000, -0.0002593300000000 ] - [ 0.0000502600000000, 0.0005170600000000, -0.0003381000000000 ] - [ -0.0002813700000000, 0.0017115500000000, -0.0008536200000000 ] - [ -0.0000406500000000, -0.0006038700000000, -0.0005821500000000 ] - [ 0.0016521200000000, 0.0045387400000000, -0.0001236000000000 ] - [ -0.0000036300000000, -0.0024622600000000, 0.0003181000000000 ] - [ 0.0001281400000000, -0.0011225700000000, 0.0007339200000000 ] - [ 0.0086854000000000, 0.0170845700000000, 0.0190194200000000 ] - [ 0.0005091600000000, -0.0002804500000000, 0.0004386900000000 ] - [ -0.0003897100000000, -0.0017037800000000, -0.0003270900000000 ] - [ -0.0003593100000000, 0.0008679800000000, 0.0006276100000000 ] - [ 0.0005842500000000, 0.0003279200000000, -0.0002445100000000 ] - [ 0.0000526700000000, 0.0004202400000000, -0.0009272100000000 ] - [ 0.0005322400000000, -0.0002759300000000, -0.0005407200000000 ] - [ 0.0006927800000000, 0.0004000400000000, 0.0003720500000000 ] - [ 0.0038092400000000, -0.0013970500000000, 0.0023488300000000 ] - [ -0.0008803600000000, -0.0014833600000000, -0.0003858100000000 ] - [ -0.0009307500000000, -0.0007853200000000, -0.0031180100000000 ] - [ -0.0006154800000000, -0.0008506300000000, 0.0008214100000000 ] - [ 0.0002956700000000, -0.0040079700000000, 0.0007585100000000 ] - [ -0.0001848300000000, 0.0012758400000000, -0.0010515500000000 ] - [ -0.0014476600000000, -0.0011682500000000, 0.0007430600000000 ] - [ 0.0038014000000000, 0.0005630700000000, 0.0031728600000000 ] - [ -0.0004069100000000, -0.0040125500000000, -0.0007843400000000 ] - [ -0.0000326400000000, -0.0010813400000000, 0.0004191200000000 ] - [ 0.0006602100000000, -0.0013611200000000, -0.0000909700000000 ] - [ -0.0001334300000000, 0.0003841200000000, -0.0003152400000000 ] - [ 0.0021890000000000, 0.0013328000000000, -0.0006635900000000 ] - [ -0.0012929800000000, -0.0013915100000000, 0.0017816800000000 ] - [ -0.0002713300000000, -0.0013213700000000, -0.0011719700000000 ] - [ -0.0002044700000000, -0.0000613200000000, -0.0008099600000000 ] - [ 0.0010298200000000, -0.0006261300000000, 0.0018655800000000 ] - [ 0.0003461200000000, 0.0014652100000000, -0.0018536800000000 ] - [ -0.0412359600000000, 0.0781679000000000, -0.0614704200000000 ] - [ 0.0003236500000000, 0.0000033600000000, 0.0002944700000000 ] - [ 0.0002447500000000, -0.0003156500000000, 0.0006363800000000 ] - [ 0.0003565500000000, -0.0005514700000000, -0.0003377000000000 ] - [ -0.0000515500000000, -0.0001737800000000, 0.0006969300000000 ] - [ 0.0105539200000000, 0.0051803800000000, -0.0046452900000000 ] - [ 0.0003101800000000, 0.0003356200000000, 0.0003668100000000 ] - [ 0.0003783400000000, -0.0005283100000000, 0.0018039300000000 ] - [ -0.0008654700000000, 0.0000560900000000, 0.0000579100000000 ] - [ 0.0001921600000000, -0.0000348300000000, 0.0006569600000000 ] - [ -0.0000151300000000, -0.0002205600000000, -0.0005345000000000 ] - [ -0.0003037800000000, 0.0004162100000000, -0.0002711700000000 ] - [ -0.0000350900000000, -0.0009915900000000, -0.0000195700000000 ] - [ 0.0001366800000000, -0.0005694200000000, -0.0000355800000000 ] - [ 0.0001357600000000, 0.0004335900000000, 0.0002452900000000 ] - [ 0.0005071400000000, 0.0004228600000000, 0.0002035200000000 ] - [ 0.0000030500000000, 0.0001049600000000, -0.0008459800000000 ] - [ 0.0005532100000000, -0.0000834800000000, -0.0001732500000000 ] - [ 0.0003891500000000, -0.0003629200000000, -0.0003161400000000 ] - [ -0.0005911100000000, 0.0001545300000000, -0.0002553500000000 ] - [ -0.0008881500000000, -0.0001266400000000, -0.0000384400000000 ] - [ 0.0001213100000000, 0.0012685400000000, -0.0020881100000000 ] - [ -0.0002479500000000, 0.0000637400000000, 0.0005774100000000 ] - [ 0.0003805000000000, -0.0011675100000000, 0.0000681400000000 ] - [ -0.0004308200000000, -0.0014419200000000, -0.0007140500000000 ] - [ 0.0005940500000000, -0.0000498000000000, -0.0016704200000000 ] - [ -0.0012813400000000, -0.0002968300000000, 0.0049476300000000 ] - [ 0.0006203400000000, 0.0034204600000000, 0.0014459000000000 ] - [ 0.0000541100000000, -0.0005812400000000, 0.0001696900000000 ] - [ 0.0401520200000000, -0.1083649100000000, 0.0521749000000000 ] - [ -0.0020165800000000, 0.0027367900000000, -0.0140364500000000 ] - [ 0.0003795000000000, 0.0006218200000000, -0.0006932200000000 ] - [ 0.0000974000000000, -0.0008159200000000, 0.0000328500000000 ] - [ 0.0003200600000000, 0.0005031900000000, -0.0008668300000000 ] - [ 0.0000296400000000, -0.0002430000000000, -0.0006097300000000 ] - [ 0.0007229700000000, 0.0005434900000000, -0.0010239800000000 ] - [ -0.0013855500000000, 0.0015140900000000, 0.0003280100000000 ] - [ 0.0004265400000000, 0.0012654200000000, -0.0003103500000000 ] - [ -0.0029626400000000, 0.0016206000000000, -0.0021746300000000 ] - [ 0.0002093500000000, 0.0004027900000000, 0.0000888300000000 ] - [ -0.0021813100000000, -0.0002066100000000, -0.0024914000000000 ] - [ 0.0001455200000000, 0.0007234600000000, 0.0001622100000000 ] - [ 0.0050497900000000, 0.0045436300000000, 0.0017931200000000 ] - [ 0.0008451000000000, -0.0000960000000000, 0.0005736300000000 ] - [ -0.0113076800000000, -0.0026561000000000, 0.0048233300000000 ] - [ -0.0006439900000000, -0.0010761200000000, 0.0003135300000000 ] - [ -0.0002631200000000, 0.0001588600000000, 0.0003394500000000 ] - [ 0.0010169100000000, 0.0001256700000000, -0.0002874200000000 ] - [ 0.0000042400000000, 0.0004651200000000, -0.0002371000000000 ] - [ 0.0004484900000000, 0.0004993500000000, -0.0003422100000000 ] - [ -0.0007732500000000, 0.0002527100000000, -0.0014258500000000 ] - [ 0.0002533500000000, 0.0003500100000000, 0.0001366700000000 ] - [ -0.0015971200000000, -0.0001560100000000, -0.0010475300000000 ] - [ -0.0003934400000000, 0.0011554000000000, -0.0005554300000000 ] - [ -0.0000292300000000, 0.0009615800000000, -0.0002654300000000 ] - [ 0.0009279700000000, 0.0008528600000000, 0.0000888900000000 ] - [ -0.0008678900000000, 0.0007801600000000, 0.0000045900000000 ] - [ -0.0002320300000000, -0.0004778800000000, -0.0001831800000000 ] - [ 0.0004502700000000, 0.0001321300000000, 0.0000333600000000 ] - [ -0.0003746400000000, -0.0008151000000000, -0.0001417000000000 ] - [ -0.0003109900000000, 0.0010404200000000, 0.0003069700000000 ] - [ -0.0003722300000000, -0.0007419900000000, 0.0003864200000000 ] - [ -0.0006240600000000, 0.0008469900000000, -0.0000769700000000 ] - [ 0.0005820700000000, 0.0005195300000000, 0.0000648700000000 ] - [ -0.0001789200000000, -0.0000511700000000, -0.0006300300000000 ] - [ -0.0002254300000000, -0.0003980900000000, 0.0003302600000000 ] - [ -0.0001788300000000, 0.0001850200000000, -0.0000064500000000 ] - [ -0.0004136300000000, 0.0006804800000000, 0.0000890600000000 ] - [ -0.0001498700000000, 0.0004764700000000, 0.0000106900000000 ] - [ 0.0002618300000000, -0.0002272100000000, 0.0006215500000000 ] - [ 0.0005155000000000, 0.0005479100000000, 0.0003867700000000 ] - [ 0.0000791400000000, 0.0000470100000000, 0.0003764600000000 ] - [ -0.0001443900000000, 0.0002725300000000, 0.0008979400000000 ] - [ 0.0000423400000000, 0.0004983800000000, 0.0007848700000000 ] - [ -0.0024871300000000, -0.0012608700000000, -0.0007160600000000 ] - [ -0.0008917200000000, 0.0006597200000000, 0.0012264700000000 ] - [ 0.0000145500000000, 0.0000300900000000, 0.0003305900000000 ] - [ 0.0004036400000000, -0.0006824600000000, -0.0009793600000000 ] - [ -0.0002214000000000, 0.0003938700000000, 0.0000711000000000 ] - [ -0.0000787200000000, 0.0001799400000000, -0.0002116500000000 ] - [ 0.0001650800000000, 0.0006955300000000, -0.0004161400000000 ] - [ 0.0007449300000000, 0.0001859000000000, -0.0005903900000000 ] - [ -0.0003053200000000, 0.0002979800000000, -0.0004748100000000 ] - [ -0.0004100300000000, 0.0009165400000000, -0.0005044800000000 ] - [ 0.0016703300000000, 0.0001022500000000, -0.0007083400000000 ] - [ 0.0003806700000000, 0.0009333200000000, 0.0002285400000000 ] - [ -0.0008950800000000, 0.0018230800000000, -0.0018610900000000 ] - [ -0.0000605900000000, 0.0002298100000000, 0.0006215200000000 ] - [ -0.0000006400000000, 0.0000135000000000, 0.0002588800000000 ] - [ -0.0001065600000000, -0.0005125100000000, -0.0000089400000000 ] - [ 0.0003347200000000, 0.0000186600000000, 0.0008405200000000 ] - [ -0.0003843500000000, -0.0018090500000000, 0.0012612900000000 ] - [ -0.0139834000000000, 0.0046510100000000, -0.0043193400000000 ] - [ -0.0002728900000000, 0.0002306600000000, 0.0001409700000000 ] - [ 0.0042736100000000, -0.0083708800000000, 0.0079038300000000 ] - [ 0.0000460300000000, 0.0004022500000000, -0.0000948100000000 ] - [ 0.0005290400000000, 0.0001464500000000, -0.0001961000000000 ] - [ 0.0007249300000000, 0.0018113800000000, 0.0005247700000000 ] - [ -0.0004197800000000, -0.0003444100000000, 0.0003420700000000 ] - [ 0.0004180500000000, 0.0017780400000000, -0.0008434700000000 ] - [ -0.0007233800000000, 0.0013822000000000, 0.0006584300000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003401200000000, -0.0005874400000000, -0.0003136400000000 ] - [ -0.0003539100000000, 0.0005213800000000, -0.0000226000000000 ] - [ 0.0001267600000000, -0.0014509800000000, -0.0009848100000000 ] - [ 0.0004413100000000, 0.0012282100000000, -0.0001482600000000 ] - [ -0.0008708300000000, 0.0017877500000000, 0.0010210100000000 ] - [ 0.0004494700000000, -0.0004267000000000, -0.0000478300000000 ] - [ 0.0017807800000000, -0.0008669800000000, -0.0000849500000000 ] - [ -0.0000100000000000, -0.0002432200000000, 0.0003720300000000 ] - [ -0.0005290800000000, -0.0000077900000000, 0.0000690600000000 ] - [ 0.0001018900000000, -0.0005736600000000, 0.0003590400000000 ] - [ 0.0001106100000000, -0.0000811300000000, -0.0003837400000000 ] - [ -0.0003201600000000, 0.0005394100000000, -0.0002180300000000 ] - [ 0.0000619500000000, 0.0003513000000000, -0.0001484300000000 ] - [ -0.0003322500000000, 0.0000204000000000, 0.0004355000000000 ] - [ -0.0001467900000000, 0.0006345300000000, -0.0004435600000000 ] - [ 0.0004212400000000, -0.0005956800000000, -0.0001875400000000 ] - [ 0.0006491700000000, -0.0010573400000000, -0.0001176800000000 ] - [ 0.0004603100000000, 0.0001168400000000, -0.0003573200000000 ] - [ -0.0003312300000000, 0.0006284700000000, -0.0002131600000000 ] - [ -0.0001399600000000, 0.0004842500000000, -0.0002623000000000 ] - [ -0.0007228300000000, -0.0011085500000000, 0.0007655700000000 ] - [ 0.0001933000000000, 0.0001320900000000, -0.0002466500000000 ] - [ -0.0012442200000000, -0.0049127600000000, 0.0013080100000000 ] - [ -0.0004686000000000, 0.0016359400000000, -0.0001622700000000 ] - [ 0.0002950500000000, 0.0000173100000000, -0.0000941800000000 ] - [ -0.0078219500000000, -0.0176191300000000, -0.0174626900000000 ] - [ 0.0005953900000000, 0.0009200000000000, -0.0008638400000000 ] - [ -0.0007181800000000, 0.0010671300000000, -0.0000977100000000 ] - [ -0.0002783400000000, -0.0004407800000000, 0.0004777300000000 ] - [ -0.0010081800000000, 0.0007758900000000, 0.0008844500000000 ] - [ 0.0003760800000000, 0.0006867400000000, 0.0002882300000000 ] - [ 0.0001052500000000, 0.0007002900000000, -0.0005652700000000 ] - [ 0.0004126100000000, -0.0010389200000000, 0.0000520300000000 ] - [ -0.0049051000000000, 0.0020271500000000, -0.0019122300000000 ] - [ 0.0002434300000000, 0.0010585600000000, -0.0007223800000000 ] - [ 0.0005202000000000, -0.0003372400000000, 0.0024851800000000 ] - [ -0.0000533500000000, 0.0015198400000000, -0.0001548900000000 ] - [ 0.0002493700000000, 0.0045608600000000, -0.0002136500000000 ] - [ -0.0007263400000000, -0.0003669200000000, 0.0001345400000000 ] - [ 0.0009440900000000, 0.0006671000000000, -0.0002407400000000 ] - [ -0.0033167600000000, -0.0000529700000000, -0.0026680700000000 ] - [ 0.0013151000000000, 0.0031045600000000, -0.0001302100000000 ] - [ -0.0005161900000000, 0.0005352500000000, 0.0001274000000000 ] - [ 0.0000067900000000, 0.0006886700000000, 0.0007580000000000 ] - [ -0.0005339400000000, -0.0010525800000000, -0.0003544600000000 ] - [ -0.0016348600000000, -0.0018780800000000, 0.0001159000000000 ] - [ 0.0003864800000000, 0.0004800800000000, -0.0008691900000000 ] - [ -0.0002251000000000, 0.0018208700000000, 0.0006686300000000 ] - [ 0.0007020500000000, -0.0004418700000000, 0.0003055700000000 ] - [ -0.0001182200000000, 0.0015368700000000, -0.0009536200000000 ] - [ -0.0008968800000000, -0.0009217400000000, 0.0013152600000000 ] - [ 0.0407271100000000, -0.0773526100000000, 0.0592319800000000 ] - [ -0.0001333200000000, 0.0014540700000000, -0.0002506000000000 ] - [ 0.0000399600000000, -0.0005998900000000, -0.0011060500000000 ] - [ 0.0001088700000000, 0.0002659100000000, -0.0005781000000000 ] - [ 0.0000068700000000, -0.0000172600000000, 0.0007600100000000 ] - [ -0.0090683800000000, -0.0052243100000000, 0.0048570200000000 ] - [ 0.0006049700000000, 0.0001303600000000, -0.0000796500000000 ] - [ -0.0012937000000000, 0.0000635200000000, -0.0014953700000000 ] - [ -0.0005907900000000, -0.0001007000000000, 0.0001335600000000 ] - [ -0.0001479500000000, 0.0002255600000000, 0.0007998200000000 ] - [ -0.0004508900000000, 0.0005067900000000, -0.0003810000000000 ] - [ 0.0000170000000000, 0.0004995400000000, -0.0001945700000000 ] - [ -0.0001562400000000, -0.0004649400000000, 0.0000642000000000 ] - [ 0.0000548300000000, -0.0008870400000000, -0.0000093800000000 ] - [ 0.0001501700000000, 0.0004821300000000, 0.0002203300000000 ] - [ -0.0000402400000000, -0.0001366100000000, 0.0007118300000000 ] - [ -0.0000474800000000, 0.0000858200000000, -0.0006110700000000 ] - [ 0.0009038800000000, 0.0000383700000000, -0.0000182400000000 ] - [ 0.0005269900000000, -0.0001029700000000, 0.0000295400000000 ] - [ -0.0003249000000000, 0.0003099900000000, -0.0000298600000000 ] - [ -0.0005681700000000, 0.0001713000000000, -0.0001532700000000 ] - [ -0.0000789900000000, -0.0014492400000000, 0.0006188300000000 ] - [ -0.0002182000000000, -0.0003519600000000, 0.0003366600000000 ] - [ -0.0006635500000000, 0.0002497500000000, 0.0003960800000000 ] - [ 0.0002446800000000, 0.0028879800000000, 0.0006698300000000 ] - [ 0.0006939800000000, -0.0011921500000000, 0.0015001400000000 ] - [ 0.0010492000000000, 0.0008920800000000, -0.0038548600000000 ] - [ -0.0000220700000000, -0.0045277500000000, -0.0012246900000000 ] - [ -0.0003367100000000, 0.0008638300000000, -0.0004521400000000 ] - [ -0.0395619400000000, 0.1080180500000000, -0.0507811700000000 ] - [ 0.0020843100000000, -0.0026442900000000, 0.0137453200000000 ] - [ 0.0004138000000000, -0.0008438000000000, -0.0000695800000000 ] - [ 0.0004598000000000, 0.0003252700000000, -0.0010923400000000 ] - [ -0.0000976500000000, -0.0012663800000000, 0.0000780500000000 ] - [ 0.0001462200000000, -0.0010463500000000, -0.0006309800000000 ] - [ -0.0003405500000000, -0.0005193100000000, 0.0002747500000000 ] - [ 0.0003064300000000, -0.0012919500000000, 0.0002664200000000 ] - [ -0.0003981500000000, -0.0005181400000000, -0.0000702900000000 ] - [ 0.0025928500000000, -0.0020123100000000, 0.0017973700000000 ] - [ 0.0002873800000000, 0.0006493000000000, 0.0004684800000000 ] - [ 0.0014521000000000, -0.0001702800000000, 0.0024885100000000 ] - [ 0.0001658900000000, -0.0010338800000000, -0.0004704000000000 ] - [ -0.0039661200000000, -0.0039866400000000, -0.0012900700000000 ] - [ 0.0003973400000000, 0.0002725100000000, 0.0007130500000000 ] - [ 0.0100464000000000, 0.0025430700000000, -0.0035564500000000 ] - [ -0.0004037300000000, 0.0005232400000000, 0.0001852500000000 ] - [ -0.0000457000000000, 0.0001523200000000, -0.0006464900000000 ] - [ -0.0002662400000000, 0.0002506300000000, 0.0002587100000000 ] - [ -0.0004988800000000, -0.0015176300000000, 0.0007934500000000 ] - [ -0.0000659900000000, -0.0001174900000000, -0.0000402600000000 ] - [ 0.0007481000000000, -0.0010018200000000, 0.0010460700000000 ] - [ 0.0008332000000000, -0.0005779300000000, 0.0004565400000000 ] - [ 0.0012126000000000, 0.0001356800000000, 0.0002926900000000 ] - [ 0.0002182700000000, 0.0001315900000000, -0.0006845100000000 ] - [ -0.0001906900000000, -0.0001984500000000, -0.0005243100000000 ] - [ -0.0014795700000000, -0.0003544300000000, -0.0011352300000000 ] - [ 0.0000730100000000, -0.0005631800000000, -0.0007694600000000 ] - [ 0.0001662700000000, 0.0004125800000000, 0.0001168500000000 ] - [ 0.0003126900000000, 0.0006556700000000, 0.0001882400000000 ] - [ 0.0006568700000000, 0.0005287700000000, -0.0001434300000000 ] - [ -0.0002809500000000, 0.0000402300000000, -0.0000854000000000 ] - [ 0.0005928300000000, 0.0001491500000000, 0.0006955200000000 ] - [ -0.0006625400000000, 0.0003929900000000, -0.0000983200000000 ] - [ 0.0007063100000000, 0.0007202400000000, 0.0001108700000000 ] - [ -0.0000296200000000, -0.0005334300000000, -0.0004443400000000 ] - [ 0.0008223900000000, 0.0014846100000000, -0.0005640800000000 ] - [ -0.0001047900000000, -0.0004701600000000, 0.0002908800000000 ] - [ -0.0003430200000000, 0.0000992200000000, -0.0003234800000000 ] - [ 0.0002162100000000, -0.0005419900000000, 0.0000551700000000 ] - [ 0.0005242900000000, 0.0004484700000000, 0.0001421700000000 ] - [ 0.0000424800000000, -0.0000572300000000, 0.0006720200000000 ] - [ 0.0001414600000000, 0.0007160400000000, 0.0004125100000000 ] - [ 0.0003188500000000, 0.0010171700000000, 0.0003441800000000 ] - [ 0.0003314200000000, -0.0005266200000000, -0.0000338200000000 ] - [ 0.0013954700000000, 0.0010280900000000, 0.0001168300000000 ] - [ 0.0009124700000000, -0.0014034700000000, -0.0008421800000000 ] - [ -0.0003938700000000, 0.0003521900000000, 0.0000531100000000 ] - [ 0.0000934700000000, -0.0003667200000000, 0.0004272100000000 ] - [ -0.0005330200000000, -0.0000266200000000, -0.0000302300000000 ] - [ 0.0003871500000000, 0.0001289000000000, 0.0005198800000000 ] - [ 0.0008686200000000, -0.0012384500000000, -0.0000901500000000 ] - [ 0.0004955800000000, -0.0003627500000000, -0.0006980400000000 ] - [ -0.0009371700000000, -0.0001209800000000, -0.0008151800000000 ] - [ -0.0006357800000000, -0.0003640600000000, 0.0000042100000000 ] - [ -0.0019823100000000, -0.0004087200000000, 0.0010171200000000 ] - [ 0.0003662100000000, -0.0013081200000000, -0.0001933600000000 ] - [ 0.0003989400000000, -0.0007677400000000, 0.0013028300000000 ] - [ 0.0004400500000000, -0.0006107400000000, -0.0002386400000000 ] - [ -0.0000275800000000, 0.0007358700000000, 0.0001200200000000 ] - [ 0.0011880700000000, 0.0007344100000000, -0.0005820700000000 ] - [ -0.0007188700000000, 0.0000057100000000, -0.0000931500000000 ] - [ 0.0002092200000000, 0.0005171600000000, -0.0000137800000000 ] - [ 0.0135393100000000, -0.0053505000000000, 0.0050451300000000 ] - [ -0.0002843000000000, -0.0007253600000000, 0.0009128800000000 ] - [ -0.0050924100000000, 0.0081255800000000, -0.0071469100000000 ] - [ -0.0001143800000000, -0.0003338100000000, 0.0001626100000000 ] - [ 0.0002295600000000, -0.0009318600000000, -0.0000310100000000 ] - [ -0.0004444100000000, -0.0015331100000000, -0.0002436900000000 ] - [ -0.0001767600000000, -0.0007424900000000, -0.0005736400000000 ] - [ -0.0002016700000000, -0.0011935100000000, -0.0002352500000000 ] - [ -0.0005677200000000, -0.0026168400000000, -0.0004814000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004329800000000, -0.0001878400000000, -0.0013241400000000 ] - [ 0.0001954000000000, -0.0012459200000000, -0.0001656500000000 ] - [ 0.0006813000000000, -0.0007642800000000, -0.0028738400000000 ] - [ 0.0007206100000000, 0.0005533400000000, 0.0003217100000000 ] - [ 0.0003079900000000, -0.0001888200000000, 0.0011071600000000 ] - [ -0.0002059300000000, -0.0000250100000000, -0.0013768300000000 ] - [ 0.0016691000000000, 0.0008565800000000, 0.0021743500000000 ] - [ -0.0001524100000000, -0.0005954900000000, -0.0002325300000000 ] - [ -0.0004010100000000, -0.0003241000000000, -0.0001382300000000 ] - [ -0.0008890600000000, 0.0002878500000000, 0.0007643300000000 ] - [ 0.0002418400000000, -0.0001953800000000, -0.0005659500000000 ] - [ -0.0005957200000000, 0.0005212800000000, 0.0003419500000000 ] - [ -0.0000909800000000, 0.0004385100000000, -0.0002195000000000 ] - [ -0.0003445200000000, -0.0000118900000000, 0.0002258300000000 ] - [ -0.0002105600000000, 0.0003192500000000, -0.0002976000000000 ] - [ -0.0002283500000000, -0.0001193700000000, -0.0005951800000000 ] - [ -0.0017462300000000, -0.0013114900000000, 0.0010831300000000 ] - [ 0.0004868200000000, -0.0000752100000000, -0.0005923600000000 ] - [ -0.0005529700000000, 0.0001495500000000, 0.0000308500000000 ] - [ 0.0003191800000000, 0.0002544300000000, -0.0006759700000000 ] - [ 0.0022302900000000, -0.0008014700000000, 0.0005996800000000 ] - [ 0.0001622100000000, -0.0004310600000000, -0.0007402900000000 ] - [ 0.0005543000000000, 0.0001113500000000, 0.0038267900000000 ] - [ -0.0008616000000000, 0.0022190300000000, 0.0002437400000000 ] - [ -0.0003323800000000, -0.0009301400000000, -0.0019018800000000 ] - [ 0.0122804100000000, 0.0145034800000000, 0.0265322100000000 ] - [ 0.0006820100000000, 0.0007388100000000, -0.0016741900000000 ] - [ 0.0001672200000000, -0.0004857800000000, 0.0009575300000000 ] - [ 0.0001949100000000, 0.0003217500000000, -0.0003321700000000 ] - [ -0.0007914600000000, 0.0005473200000000, 0.0016382500000000 ] - [ -0.0004771600000000, 0.0002823500000000, -0.0009130500000000 ] - [ -0.0002213300000000, 0.0000528800000000, -0.0007004400000000 ] - [ 0.0010229400000000, 0.0006597500000000, -0.0012682800000000 ] - [ -0.0027910100000000, 0.0016802300000000, 0.0003152800000000 ] - [ -0.0003629000000000, 0.0001226300000000, -0.0000545800000000 ] - [ 0.0019865600000000, -0.0067335500000000, -0.0033630800000000 ] - [ 0.0003603600000000, 0.0008053400000000, -0.0005997000000000 ] - [ 0.0007241900000000, -0.0010919900000000, 0.0026723800000000 ] - [ 0.0014107200000000, -0.0004337300000000, -0.0032366400000000 ] - [ 0.0009242300000000, 0.0009472000000000, -0.0013905500000000 ] - [ -0.0070472400000000, 0.0060348600000000, 0.0035943300000000 ] - [ -0.0013511300000000, -0.0058985700000000, 0.0004592700000000 ] - [ -0.0006329400000000, -0.0002755100000000, -0.0006279500000000 ] - [ -0.0000656600000000, -0.0003122000000000, 0.0011018800000000 ] - [ -0.0005707700000000, -0.0007032200000000, -0.0015395900000000 ] - [ -0.0008546800000000, -0.0007363200000000, 0.0003917100000000 ] - [ 0.0002211900000000, 0.0002630900000000, -0.0000027300000000 ] - [ -0.0000450200000000, 0.0005622700000000, 0.0014288800000000 ] - [ -0.0007195900000000, -0.0009690400000000, -0.0028889900000000 ] - [ 0.0001137600000000, 0.0013424100000000, -0.0009865700000000 ] - [ 0.0031949000000000, 0.0010826600000000, -0.0098399600000000 ] - [ 0.0630868600000000, -0.0565317900000000, 0.1283678700000000 ] - [ -0.0002813900000000, 0.0019140900000000, -0.0001279700000000 ] - [ 0.0007480400000000, 0.0006731800000000, -0.0016391000000000 ] - [ 0.0001746500000000, 0.0001372700000000, -0.0006213500000000 ] - [ -0.0001070200000000, -0.0001889600000000, 0.0002808800000000 ] - [ 0.0059623200000000, -0.0023840800000000, 0.0086440100000000 ] - [ 0.0007464600000000, -0.0000471100000000, -0.0006557100000000 ] - [ -0.0009264600000000, -0.0002999800000000, 0.0037355100000000 ] - [ -0.0010006800000000, 0.0000383300000000, -0.0000884200000000 ] - [ -0.0001739600000000, 0.0000338800000000, 0.0011836100000000 ] - [ -0.0004668000000000, 0.0006803500000000, -0.0002096900000000 ] - [ 0.0001122800000000, 0.0006407600000000, -0.0001048600000000 ] - [ -0.0001467600000000, -0.0005820400000000, 0.0001072700000000 ] - [ 0.0001201400000000, -0.0005281700000000, -0.0002392100000000 ] - [ -0.0001161600000000, 0.0005535900000000, 0.0000510000000000 ] - [ 0.0000660100000000, -0.0000284800000000, 0.0008070800000000 ] - [ -0.0000105800000000, 0.0000922800000000, -0.0006533000000000 ] - [ 0.0004270700000000, -0.0001134200000000, -0.0001564500000000 ] - [ 0.0004505700000000, -0.0002361400000000, -0.0001459700000000 ] - [ -0.0007309000000000, -0.0001521800000000, 0.0000749800000000 ] - [ -0.0006002500000000, -0.0000142000000000, -0.0001395700000000 ] - [ -0.0011578100000000, 0.0022177900000000, -0.0053485100000000 ] - [ -0.0003334300000000, -0.0010980300000000, -0.0007393500000000 ] - [ -0.0004101500000000, -0.0002304000000000, 0.0002912600000000 ] - [ 0.0007279700000000, 0.0018157000000000, 0.0013573900000000 ] - [ 0.0002400100000000, -0.0026609700000000, 0.0014188300000000 ] - [ -0.0054298600000000, 0.0047710100000000, 0.0150229000000000 ] - [ -0.0001890500000000, 0.0021530800000000, -0.0014632700000000 ] - [ -0.0001589300000000, -0.0004924300000000, 0.0029075500000000 ] - [ -0.0961501900000000, 0.0487306900000000, -0.1966978200000000 ] - [ 0.0022408300000000, -0.0137869700000000, 0.0102987200000000 ] - [ 0.0004241900000000, -0.0001568200000000, 0.0003368000000000 ] - [ -0.0017958300000000, 0.0006756800000000, 0.0016079300000000 ] - [ -0.0000322000000000, -0.0012527700000000, 0.0002804800000000 ] - [ 0.0001087900000000, -0.0007005300000000, -0.0001303900000000 ] - [ -0.0001066000000000, -0.0005377500000000, 0.0014133000000000 ] - [ -0.0012598000000000, 0.0004753300000000, -0.0004427400000000 ] - [ -0.0008096800000000, -0.0005753000000000, 0.0000463700000000 ] - [ 0.0014625500000000, -0.0025711600000000, -0.0012177700000000 ] - [ 0.0001162600000000, 0.0009556300000000, 0.0024312900000000 ] - [ 0.0072084400000000, -0.0067457800000000, 0.0058785900000000 ] - [ 0.0001998600000000, 0.0011379700000000, -0.0000214300000000 ] - [ 0.0060860700000000, 0.0082602900000000, 0.0003781700000000 ] - [ 0.0007749700000000, 0.0003990900000000, 0.0015491500000000 ] - [ -0.0111326900000000, 0.0027510100000000, -0.0026124600000000 ] - [ -0.0009934100000000, -0.0002889100000000, 0.0012334400000000 ] - [ -0.0005566700000000, 0.0004943200000000, 0.0003801000000000 ] - [ -0.0003535100000000, -0.0003117700000000, 0.0006133900000000 ] - [ -0.0000220700000000, 0.0009250900000000, -0.0019628300000000 ] - [ -0.0001176500000000, -0.0001094200000000, 0.0003871600000000 ] - [ 0.0014344100000000, -0.0023076300000000, 0.0005974200000000 ] - [ 0.0007806300000000, -0.0003017200000000, 0.0007596800000000 ] - [ 0.0015627800000000, 0.0001030400000000, -0.0032292900000000 ] - [ 0.0002810400000000, 0.0003213900000000, -0.0010910200000000 ] - [ -0.0000973500000000, 0.0003612300000000, -0.0007249200000000 ] - [ 0.0018268200000000, 0.0012307300000000, 0.0001264300000000 ] - [ -0.0001815300000000, -0.0000305400000000, -0.0010959900000000 ] - [ 0.0005813300000000, 0.0002334900000000, 0.0006077100000000 ] - [ 0.0002997700000000, 0.0004714300000000, 0.0009836100000000 ] - [ 0.0004622600000000, -0.0004323200000000, -0.0008835200000000 ] - [ -0.0001793500000000, 0.0007609100000000, 0.0005370800000000 ] - [ 0.0002858600000000, -0.0002909900000000, 0.0006282000000000 ] - [ -0.0007057600000000, 0.0003567700000000, -0.0002416600000000 ] - [ 0.0008105000000000, 0.0004580600000000, 0.0005260900000000 ] - [ 0.0001811500000000, -0.0002646400000000, 0.0000792900000000 ] - [ 0.0006402900000000, 0.0010837200000000, -0.0008193100000000 ] - [ -0.0000126000000000, -0.0002343500000000, 0.0004744800000000 ] - [ 0.0000121400000000, 0.0005944200000000, -0.0003949400000000 ] - [ 0.0002020200000000, -0.0000313100000000, -0.0003004100000000 ] - [ 0.0004726100000000, 0.0000898000000000, 0.0007180200000000 ] - [ 0.0000528300000000, 0.0000644300000000, 0.0003502000000000 ] - [ 0.0001562300000000, 0.0002277600000000, 0.0011254900000000 ] - [ 0.0001512000000000, 0.0008067300000000, 0.0001953600000000 ] - [ 0.0005053700000000, 0.0000305500000000, -0.0000098500000000 ] - [ 0.0009805100000000, -0.0000554400000000, -0.0005267100000000 ] - [ 0.0003980100000000, -0.0009886100000000, -0.0010720800000000 ] - [ 0.0006628300000000, 0.0008272200000000, 0.0011887200000000 ] - [ 0.0000705300000000, -0.0007228200000000, 0.0000497800000000 ] - [ 0.0002002800000000, 0.0006848700000000, 0.0007170200000000 ] - [ 0.0004002000000000, 0.0000284000000000, 0.0007511900000000 ] - [ 0.0007639500000000, -0.0005981700000000, -0.0000324600000000 ] - [ 0.0005165700000000, -0.0000465200000000, -0.0005108800000000 ] - [ -0.0001543400000000, 0.0005019000000000, -0.0009332700000000 ] - [ -0.0005567000000000, -0.0001220700000000, -0.0002372000000000 ] - [ -0.0015750900000000, -0.0008117000000000, -0.0002981600000000 ] - [ 0.0005328900000000, -0.0002865300000000, -0.0005514200000000 ] - [ 0.0004723500000000, -0.0003398900000000, 0.0004084100000000 ] - [ -0.0002876500000000, 0.0001719200000000, -0.0005656600000000 ] - [ 0.0001525200000000, 0.0004981000000000, 0.0019265200000000 ] - [ -0.0019784100000000, -0.0007373200000000, 0.0014337900000000 ] - [ 0.0008528800000000, 0.0010303500000000, 0.0016056800000000 ] - [ 0.0008832100000000, -0.0014961200000000, 0.0050153200000000 ] - [ 0.0027214900000000, -0.0023709400000000, -0.0077985700000000 ] - [ -0.0004466300000000, -0.0004749600000000, 0.0015666200000000 ] - [ 0.0131912200000000, 0.0026672400000000, 0.0142536800000000 ] - [ -0.0003281400000000, -0.0000205100000000, 0.0006458400000000 ] - [ 0.0001582300000000, -0.0003092100000000, -0.0000713100000000 ] - [ 0.0000544400000000, 0.0002585000000000, -0.0003306100000000 ] - [ -0.0009645600000000, 0.0022810400000000, 0.0033305500000000 ] - [ 0.0001868900000000, 0.0000375500000000, -0.0019132300000000 ] - [ -0.0010868200000000, -0.0016189400000000, -0.0013294400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000370200000000, -0.0006401800000000, 0.0011713800000000 ] - [ -0.0007940800000000, 0.0013369400000000, -0.0008320900000000 ] - [ -0.0008380900000000, 0.0002963600000000, 0.0037123300000000 ] - [ 0.0002790900000000, 0.0000454300000000, -0.0002328800000000 ] - [ -0.0002162900000000, 0.0011789800000000, -0.0005111500000000 ] - [ 0.0010343200000000, 0.0001756700000000, 0.0018513400000000 ] - [ -0.0024994300000000, -0.0009946800000000, -0.0017185000000000 ] - [ 0.0000613500000000, -0.0004043900000000, 0.0008338600000000 ] - [ -0.0006001200000000, -0.0002730000000000, 0.0002274100000000 ] - [ 0.0010445500000000, 0.0001803000000000, 0.0000680600000000 ] - [ 0.0003576800000000, 0.0001023300000000, -0.0004375000000000 ] - [ 0.0001261700000000, 0.0003089700000000, -0.0004966900000000 ] - [ 0.0005603600000000, 0.0003909200000000, 0.0003736400000000 ] - [ -0.0002528700000000, -0.0000791500000000, 0.0007741400000000 ] - [ 0.0000583200000000, 0.0001514300000000, -0.0005331900000000 ] - [ 0.0012334300000000, -0.0004803800000000, 0.0005050000000000 ] - [ 0.0018464500000000, 0.0003117400000000, -0.0016923500000000 ] - [ 0.0003439000000000, -0.0000746900000000, 0.0001219200000000 ] - [ -0.0002763400000000, 0.0000053500000000, -0.0005037900000000 ] - [ -0.0004089500000000, 0.0007449900000000, 0.0000786200000000 ] - [ -0.0032272000000000, 0.0013936100000000, -0.0006789200000000 ] - [ -0.0000100100000000, -0.0000363500000000, -0.0000908800000000 ] - [ 0.0000354500000000, -0.0000580100000000, -0.0028224800000000 ] - [ 0.0003990400000000, -0.0030560100000000, -0.0000944600000000 ] - [ 0.0007550400000000, -0.0001802300000000, 0.0025403200000000 ] - [ -0.0104609000000000, -0.0137705900000000, -0.0237751800000000 ] - [ 0.0004220900000000, -0.0000993400000000, 0.0012521500000000 ] - [ -0.0012764500000000, -0.0001508400000000, -0.0013882000000000 ] - [ -0.0008349000000000, 0.0001047900000000, 0.0014349100000000 ] - [ 0.0003713600000000, 0.0005550000000000, -0.0009990200000000 ] - [ 0.0009043600000000, 0.0008252000000000, 0.0002799300000000 ] - [ 0.0008594000000000, 0.0003735400000000, -0.0004065000000000 ] - [ 0.0000872400000000, -0.0012967100000000, 0.0016957100000000 ] - [ 0.0016602300000000, -0.0010320600000000, 0.0000922700000000 ] - [ -0.0002757400000000, -0.0005449200000000, -0.0010494300000000 ] - [ -0.0024332900000000, 0.0056707900000000, 0.0027336700000000 ] - [ -0.0010295200000000, -0.0001340500000000, 0.0012729400000000 ] - [ -0.0001799200000000, 0.0016348400000000, -0.0021291000000000 ] - [ -0.0023363300000000, 0.0013457900000000, 0.0023241900000000 ] - [ -0.0014384100000000, -0.0014532400000000, 0.0018998200000000 ] - [ 0.0075331400000000, -0.0055326700000000, -0.0030946300000000 ] - [ 0.0022735300000000, 0.0050343400000000, -0.0013707700000000 ] - [ 0.0000865800000000, -0.0002683100000000, 0.0011741400000000 ] - [ 0.0007350500000000, -0.0003582600000000, -0.0004350300000000 ] - [ -0.0000953400000000, 0.0000326800000000, 0.0008731900000000 ] - [ 0.0014071200000000, 0.0001881600000000, -0.0009408800000000 ] - [ -0.0011293900000000, -0.0011741700000000, 0.0009186300000000 ] - [ -0.0004522300000000, -0.0000534400000000, -0.0019229500000000 ] - [ 0.0012324300000000, 0.0004738900000000, 0.0023978900000000 ] - [ 0.0008002900000000, -0.0004317100000000, 0.0018878500000000 ] - [ -0.0037483300000000, -0.0005359700000000, 0.0093048600000000 ] - [ -0.0662326600000000, 0.0605500800000000, -0.1331104500000000 ] - [ 0.0004729600000000, -0.0004573000000000, 0.0001733700000000 ] - [ -0.0004666700000000, -0.0015868500000000, 0.0011672400000000 ] - [ 0.0002919400000000, -0.0004273800000000, -0.0002918400000000 ] - [ 0.0000625400000000, -0.0000036900000000, 0.0011724200000000 ] - [ -0.0043157600000000, 0.0023851100000000, -0.0086194300000000 ] - [ 0.0001639900000000, 0.0005138300000000, 0.0009477600000000 ] - [ 0.0000353000000000, -0.0001738400000000, -0.0034287100000000 ] - [ -0.0004517400000000, -0.0000825700000000, 0.0002819100000000 ] - [ 0.0002181900000000, 0.0001591500000000, 0.0002694800000000 ] - [ 0.0000007400000000, -0.0003911600000000, -0.0007035200000000 ] - [ -0.0004035600000000, 0.0002724000000000, -0.0003626200000000 ] - [ -0.0000465100000000, -0.0008714000000000, -0.0000632800000000 ] - [ 0.0000735400000000, -0.0009247900000000, 0.0001948700000000 ] - [ 0.0004071700000000, 0.0003594000000000, 0.0004154700000000 ] - [ 0.0003995800000000, 0.0003162800000000, 0.0001076300000000 ] - [ -0.0000335500000000, 0.0001011600000000, -0.0007985000000000 ] - [ 0.0010284500000000, 0.0000697500000000, -0.0000359600000000 ] - [ 0.0004640300000000, -0.0002293900000000, -0.0001414900000000 ] - [ -0.0001813700000000, 0.0006213100000000, -0.0003658700000000 ] - [ -0.0008531300000000, 0.0000587100000000, -0.0000530500000000 ] - [ 0.0012031700000000, -0.0024335000000000, 0.0039256200000000 ] - [ -0.0001316300000000, 0.0008106500000000, 0.0016568400000000 ] - [ 0.0001204500000000, -0.0006817800000000, 0.0001759700000000 ] - [ -0.0009138700000000, -0.0003495700000000, -0.0013997700000000 ] - [ 0.0010376300000000, 0.0014143400000000, -0.0015899600000000 ] - [ 0.0051852400000000, -0.0041188500000000, -0.0138501900000000 ] - [ 0.0007829500000000, -0.0032415300000000, 0.0016922200000000 ] - [ -0.0001288100000000, 0.0007801600000000, -0.0031956700000000 ] - [ 0.0982035100000000, -0.0542520100000000, 0.1996461000000000 ] - [ -0.0021822500000000, 0.0141918400000000, -0.0105869100000000 ] - [ 0.0003553600000000, -0.0000669200000000, -0.0011062800000000 ] - [ 0.0023710900000000, -0.0011841000000000, -0.0026584200000000 ] - [ 0.0002634600000000, 0.0004847300000000, -0.0010550400000000 ] - [ 0.0000662600000000, -0.0005734800000000, -0.0011095600000000 ] - [ 0.0004852400000000, 0.0005785700000000, -0.0021611300000000 ] - [ 0.0001778300000000, -0.0002707000000000, 0.0010240500000000 ] - [ 0.0008617200000000, 0.0013288500000000, -0.0004130500000000 ] - [ -0.0018299900000000, 0.0021869300000000, 0.0008364900000000 ] - [ 0.0003963100000000, 0.0000769300000000, -0.0018779700000000 ] - [ -0.0078971200000000, 0.0063455200000000, -0.0058472900000000 ] - [ 0.0001151800000000, -0.0014582500000000, -0.0002953900000000 ] - [ -0.0050643300000000, -0.0077309800000000, 0.0001359300000000 ] - [ 0.0004662300000000, -0.0002223100000000, -0.0002811000000000 ] - [ 0.0098569200000000, -0.0029196300000000, 0.0039771700000000 ] - [ -0.0000469100000000, -0.0002730300000000, -0.0007289800000000 ] - [ 0.0002471400000000, -0.0001803700000000, -0.0006890900000000 ] - [ 0.0011015200000000, 0.0006881900000000, -0.0006487800000000 ] - [ -0.0004900000000000, -0.0019611000000000, 0.0025219700000000 ] - [ 0.0004958800000000, 0.0004867000000000, -0.0007646600000000 ] - [ -0.0014764800000000, 0.0015624700000000, -0.0009694600000000 ] - [ 0.0003035200000000, 0.0000931100000000, -0.0001770100000000 ] - [ -0.0019338100000000, -0.0001411300000000, 0.0024731800000000 ] - [ -0.0004571100000000, 0.0009525100000000, -0.0001492400000000 ] - [ -0.0001371800000000, 0.0004027500000000, -0.0000464000000000 ] - [ -0.0023918500000000, -0.0007290600000000, -0.0011700300000000 ] - [ -0.0005951500000000, 0.0002641000000000, 0.0003322100000000 ] - [ -0.0006445900000000, -0.0002951200000000, -0.0006725200000000 ] - [ 0.0004694900000000, 0.0003106000000000, -0.0007619700000000 ] - [ -0.0001772300000000, 0.0001416100000000, 0.0005951000000000 ] - [ -0.0004090800000000, 0.0003250400000000, -0.0003238100000000 ] - [ -0.0000651100000000, -0.0002994500000000, 0.0004676700000000 ] - [ -0.0005668000000000, 0.0008838700000000, 0.0000669800000000 ] - [ 0.0004605600000000, 0.0007820200000000, -0.0003517500000000 ] - [ -0.0004021500000000, -0.0003259100000000, -0.0011696400000000 ] - [ -0.0000594900000000, 0.0000034300000000, 0.0006110100000000 ] - [ -0.0002784000000000, -0.0000568300000000, -0.0001844300000000 ] - [ -0.0007832500000000, 0.0001876000000000, 0.0001730400000000 ] - [ -0.0001395400000000, -0.0000316700000000, 0.0003643600000000 ] - [ 0.0003062200000000, 0.0001386100000000, 0.0000456200000000 ] - [ 0.0005018500000000, 0.0004457000000000, 0.0006820000000000 ] - [ 0.0000658200000000, 0.0005409300000000, -0.0003464600000000 ] - [ 0.0000240200000000, 0.0004667500000000, 0.0010410900000000 ] - [ -0.0001334600000000, -0.0000705400000000, 0.0007507500000000 ] - [ -0.0020638500000000, -0.0001525700000000, -0.0000550400000000 ] - [ -0.0003548700000000, 0.0002390600000000, 0.0014372100000000 ] - [ -0.0010472300000000, -0.0004531700000000, -0.0008164700000000 ] - [ 0.0004347000000000, -0.0003188200000000, -0.0006142700000000 ] - [ -0.0009448000000000, -0.0003105900000000, -0.0006825200000000 ] - [ -0.0000867300000000, 0.0002872400000000, -0.0004354200000000 ] - [ 0.0002802500000000, 0.0000314200000000, -0.0004695600000000 ] - [ 0.0007221600000000, -0.0001305700000000, -0.0007635800000000 ] - [ -0.0010880300000000, -0.0003300600000000, -0.0003397200000000 ] - [ -0.0004884500000000, 0.0006848600000000, -0.0002684700000000 ] - [ 0.0012633100000000, 0.0005002500000000, 0.0006074600000000 ] - [ 0.0002071700000000, -0.0000941900000000, 0.0005858200000000 ] - [ -0.0009813200000000, 0.0013725400000000, -0.0009551400000000 ] - [ 0.0006615500000000, -0.0005474200000000, 0.0009371800000000 ] - [ -0.0001940600000000, 0.0002418700000000, -0.0015546500000000 ] - [ 0.0030565000000000, 0.0009491900000000, -0.0020198000000000 ] - [ -0.0012352400000000, -0.0010018300000000, -0.0008702200000000 ] - [ -0.0010627900000000, 0.0002370700000000, -0.0037997200000000 ] - [ -0.0029231200000000, 0.0015786100000000, 0.0086859500000000 ] - [ -0.0001196500000000, -0.0000300400000000, -0.0005235500000000 ] - [ -0.0143242100000000, -0.0029810200000000, -0.0137754500000000 ] - [ 0.0002683600000000, 0.0000795800000000, -0.0005871300000000 ] - [ 0.0006104400000000, -0.0004729300000000, -0.0001522200000000 ] - [ 0.0002382900000000, 0.0000337900000000, 0.0006243500000000 ] - [ 0.0003744300000000, -0.0033532700000000, -0.0035360700000000 ] - [ 0.0000341200000000, 0.0005536500000000, 0.0008216100000000 ] - [ -0.0001902500000000, 0.0003731400000000, 0.0015069300000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005985600000000, -0.0004587800000000, -0.0001328000000000 ] - [ 0.0002617600000000, 0.0001306500000000, -0.0002334600000000 ] - [ 0.0029004700000000, 0.0003560900000000, 0.0018272700000000 ] - [ 0.0007059800000000, 0.0001979100000000, 0.0000572700000000 ] - [ 0.0002488000000000, 0.0011594200000000, 0.0002853600000000 ] - [ 0.0004826600000000, 0.0001609900000000, 0.0003901300000000 ] - [ -0.0006298200000000, -0.0009587300000000, 0.0000279300000000 ] - [ -0.0000561600000000, -0.0006764300000000, 0.0004337000000000 ] - [ -0.0006745600000000, -0.0004973800000000, 0.0001089000000000 ] - [ -0.0005091700000000, 0.0003106900000000, 0.0002200000000000 ] - [ -0.0001869200000000, 0.0000324800000000, -0.0004521800000000 ] - [ -0.0010250400000000, 0.0004053500000000, -0.0002099600000000 ] - [ -0.0000151000000000, 0.0004307500000000, 0.0000619500000000 ] - [ -0.0008752700000000, -0.0001192400000000, 0.0006393200000000 ] - [ -0.0003199900000000, 0.0002582000000000, -0.0004241600000000 ] - [ -0.0002733700000000, -0.0002913800000000, -0.0003640700000000 ] - [ -0.0015531400000000, -0.0012494100000000, -0.0000464100000000 ] - [ 0.0003911800000000, -0.0001370800000000, -0.0002723000000000 ] - [ -0.0005553700000000, 0.0003346000000000, -0.0001784200000000 ] - [ -0.0000960500000000, 0.0004997700000000, -0.0002887500000000 ] - [ -0.0007220800000000, -0.0003691900000000, 0.0018674500000000 ] - [ 0.0004154900000000, -0.0003621500000000, -0.0005311800000000 ] - [ 0.0008693500000000, -0.0000671000000000, 0.0009442500000000 ] - [ 0.0034199300000000, -0.0010783500000000, -0.0002920800000000 ] - [ 0.0017538000000000, -0.0010047100000000, 0.0006343100000000 ] - [ 0.0017388600000000, 0.0004155000000000, -0.0008353800000000 ] - [ 0.0006259200000000, 0.0004888200000000, -0.0001153200000000 ] - [ -0.0008516400000000, -0.0020104600000000, -0.0006809600000000 ] - [ -0.0022421500000000, 0.0012065700000000, 0.0016496700000000 ] - [ -0.0010862800000000, 0.0007277400000000, 0.0003108400000000 ] - [ -0.0006476800000000, 0.0003644900000000, -0.0003603800000000 ] - [ -0.0003819500000000, 0.0001717300000000, -0.0005650900000000 ] - [ 0.0002293300000000, -0.0001214500000000, 0.0000324600000000 ] - [ -0.0059486900000000, 0.0027704400000000, -0.0014521800000000 ] - [ -0.0000017900000000, -0.0000321600000000, -0.0002940100000000 ] - [ 0.0033570400000000, -0.0034074000000000, -0.0027279100000000 ] - [ 0.0004544300000000, 0.0002289200000000, 0.0005700600000000 ] - [ 0.0013850600000000, -0.0006373200000000, 0.0004951400000000 ] - [ 0.0004228400000000, 0.0020667800000000, 0.0002232400000000 ] - [ -0.0008006600000000, -0.0037092100000000, 0.0037168400000000 ] - [ 0.0005388300000000, 0.0007441500000000, -0.0004709000000000 ] - [ -0.0006554500000000, -0.0020851300000000, -0.0024089100000000 ] - [ -0.0009027400000000, -0.0004959200000000, 0.0002958500000000 ] - [ -0.0007598300000000, -0.0006948700000000, 0.0002720300000000 ] - [ -0.0014816300000000, -0.0000308300000000, -0.0000025900000000 ] - [ -0.0036506300000000, -0.0002840300000000, -0.0002139500000000 ] - [ -0.0014028100000000, -0.0011051400000000, 0.0009513500000000 ] - [ -0.0008593600000000, 0.0019519500000000, 0.0008417700000000 ] - [ -0.0005719400000000, -0.0007747100000000, -0.0013286200000000 ] - [ 0.0003877600000000, 0.0018697300000000, -0.0020636700000000 ] - [ 0.0005941400000000, 0.0004197600000000, 0.0000020100000000 ] - [ 0.1267313900000000, 0.0837794800000000, -0.0842656800000000 ] - [ 0.0001599900000000, 0.0006965800000000, 0.0000376400000000 ] - [ 0.0003425200000000, -0.0003595000000000, -0.0003020500000000 ] - [ 0.0006088500000000, -0.0008727900000000, -0.0000948700000000 ] - [ 0.0001060200000000, -0.0000748100000000, 0.0009192400000000 ] - [ 0.0020206700000000, 0.0020192100000000, -0.0021061000000000 ] - [ 0.0003013900000000, 0.0003993700000000, 0.0006496800000000 ] - [ -0.0015211500000000, -0.0004270900000000, -0.0009979700000000 ] - [ -0.0009507500000000, 0.0000264400000000, 0.0001128200000000 ] - [ -0.0000304800000000, 0.0000756400000000, 0.0007518500000000 ] - [ -0.0002776300000000, 0.0001912500000000, -0.0004552600000000 ] - [ -0.0011811200000000, -0.0001149900000000, -0.0005403500000000 ] - [ -0.0001364800000000, -0.0009238900000000, -0.0000059900000000 ] - [ -0.0000002300000000, -0.0007067700000000, -0.0000409200000000 ] - [ -0.0000980700000000, 0.0005594300000000, 0.0001429500000000 ] - [ -0.0002714200000000, 0.0000048300000000, 0.0006595800000000 ] - [ -0.0001602200000000, 0.0002275200000000, -0.0003631600000000 ] - [ 0.0003275500000000, -0.0000928900000000, -0.0002125700000000 ] - [ 0.0004329300000000, -0.0001794200000000, -0.0000339000000000 ] - [ -0.0005698800000000, -0.0000514600000000, -0.0000830100000000 ] - [ -0.0006039000000000, 0.0000834000000000, -0.0000953400000000 ] - [ -0.0011890700000000, -0.0001568900000000, -0.0033688100000000 ] - [ -0.0000492700000000, -0.0008430000000000, -0.0001654900000000 ] - [ -0.0004422700000000, -0.0002530300000000, 0.0003568900000000 ] - [ 0.0020568700000000, 0.0041112100000000, 0.0012778300000000 ] - [ 0.0003782800000000, -0.0006644800000000, -0.0000805400000000 ] - [ -0.0009045400000000, 0.0003807600000000, 0.0003477200000000 ] - [ -0.0006466900000000, 0.0006978400000000, -0.0003773600000000 ] - [ -0.0007116800000000, 0.0001637400000000, -0.0003815300000000 ] - [ -0.0099565200000000, -0.0024150300000000, 0.0022957700000000 ] - [ -0.1394574400000000, -0.0968772000000000, 0.0967475800000000 ] - [ -0.0000583600000000, 0.0001535800000000, -0.0006551900000000 ] - [ -0.0014688600000000, -0.0011813200000000, -0.0003093200000000 ] - [ -0.0002191700000000, -0.0004271800000000, -0.0004086500000000 ] - [ -0.0003299200000000, -0.0001483800000000, -0.0009841400000000 ] - [ -0.0005193500000000, 0.0010408100000000, -0.0024255600000000 ] - [ -0.0015625900000000, 0.0008318700000000, 0.0003738300000000 ] - [ 0.0003268600000000, 0.0027894100000000, -0.0009855100000000 ] - [ -0.0004183200000000, -0.0004639300000000, 0.0000411600000000 ] - [ -0.0000193600000000, 0.0002610200000000, 0.0000162900000000 ] - [ -0.0005881100000000, -0.0003749500000000, 0.0001228200000000 ] - [ -0.0001760100000000, 0.0003759300000000, 0.0003013300000000 ] - [ 0.0011349100000000, 0.0008899400000000, 0.0025000900000000 ] - [ 0.0008488000000000, -0.0000490100000000, 0.0003316800000000 ] - [ 0.0012370500000000, -0.0031653300000000, 0.0031320700000000 ] - [ -0.0003967700000000, -0.0015084700000000, -0.0004660900000000 ] - [ -0.0002114100000000, -0.0001823100000000, -0.0003342100000000 ] - [ 0.0031260300000000, 0.0019792800000000, -0.0025113300000000 ] - [ 0.0004172800000000, 0.0004688900000000, 0.0012531000000000 ] - [ 0.0005616700000000, 0.0010253000000000, -0.0009793100000000 ] - [ 0.0000255900000000, -0.0005613300000000, 0.0000144700000000 ] - [ 0.0008290900000000, -0.0000736400000000, 0.0002171500000000 ] - [ 0.0004120600000000, -0.0005505300000000, 0.0005712500000000 ] - [ 0.0000458400000000, 0.0006748600000000, -0.0006100100000000 ] - [ 0.0005277900000000, 0.0009010700000000, -0.0002348100000000 ] - [ 0.0008486600000000, 0.0004054900000000, 0.0000187500000000 ] - [ -0.0000190200000000, 0.0000629800000000, -0.0003821400000000 ] - [ 0.0003625400000000, -0.0000897100000000, -0.0000634300000000 ] - [ 0.0011563200000000, 0.0001880400000000, -0.0005022900000000 ] - [ 0.0021001500000000, -0.0005113000000000, -0.0002606900000000 ] - [ 0.0000217700000000, 0.0006673600000000, 0.0000374300000000 ] - [ 0.0015418200000000, -0.0004772600000000, 0.0011928100000000 ] - [ 0.0002659300000000, 0.0011493300000000, 0.0001021400000000 ] - [ 0.0009483500000000, 0.0005171800000000, 0.0001431600000000 ] - [ 0.0003112600000000, -0.0001565300000000, -0.0004174100000000 ] - [ 0.0012337000000000, 0.0006367800000000, -0.0001874500000000 ] - [ 0.0001434900000000, -0.0000414800000000, 0.0000735900000000 ] - [ 0.0002615900000000, 0.0005710400000000, -0.0002814500000000 ] - [ 0.0005395900000000, -0.0000627200000000, 0.0001375100000000 ] - [ 0.0008965900000000, 0.0001118900000000, 0.0000874400000000 ] - [ 0.0009406100000000, 0.0003578500000000, 0.0006158500000000 ] - [ 0.0007281600000000, 0.0001375100000000, 0.0005170400000000 ] - [ 0.0008125400000000, 0.0006753800000000, 0.0001521500000000 ] - [ 0.0009265100000000, -0.0003365600000000, -0.0001458400000000 ] - [ 0.0025368100000000, 0.0005474800000000, 0.0000449600000000 ] - [ 0.0010600200000000, -0.0013781000000000, -0.0007446700000000 ] - [ 0.0004329400000000, 0.0005057800000000, 0.0006376300000000 ] - [ 0.0005029900000000, -0.0004591400000000, -0.0004669600000000 ] - [ 0.0001381300000000, 0.0005055200000000, 0.0003161200000000 ] - [ 0.0005301700000000, 0.0000000200000000, 0.0007289400000000 ] - [ 0.0008459600000000, -0.0009463300000000, 0.0001391900000000 ] - [ 0.0005802500000000, -0.0001936700000000, -0.0006948700000000 ] - [ -0.0001874700000000, 0.0004594700000000, -0.0006343100000000 ] - [ -0.0004212400000000, 0.0004763200000000, -0.0004057100000000 ] - [ 0.0002677000000000, 0.0005704900000000, -0.0005403700000000 ] - [ 0.0003485400000000, -0.0006672600000000, -0.0001794000000000 ] - [ 0.0008319400000000, -0.0012950800000000, 0.0015170600000000 ] - [ 0.0004688500000000, -0.0008741400000000, -0.0005167800000000 ] - [ 0.0001683400000000, 0.0007994700000000, 0.0007725700000000 ] - [ 0.0001179300000000, -0.0000103400000000, -0.0003948600000000 ] - [ 0.0002306000000000, 0.0007489200000000, 0.0012355400000000 ] - [ 0.0003275200000000, -0.0000562600000000, 0.0034583300000000 ] - [ 0.0102260400000000, 0.0010993200000000, -0.0133531600000000 ] - [ -0.0012799600000000, -0.0005367400000000, 0.0012612400000000 ] - [ 0.0022971500000000, 0.0137666000000000, 0.0003676800000000 ] - [ -0.0003640300000000, 0.0001377800000000, 0.0000897600000000 ] - [ -0.0000139900000000, -0.0004675300000000, -0.0004098400000000 ] - [ -0.0003185800000000, 0.0002046400000000, 0.0001607400000000 ] - [ -0.0007487200000000, -0.0007119400000000, -0.0003403000000000 ] - [ -0.0002267300000000, 0.0003477400000000, -0.0005956700000000 ] - [ -0.0022490400000000, -0.0025322200000000, -0.0005033000000000 ]- atom: 82 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001285100000000, -0.0003715200000000, -0.0000202500000000 ] - [ -0.0008592300000000, -0.0000384900000000, -0.0007675700000000 ] - [ -0.0030421800000000, -0.0008177300000000, -0.0010038000000000 ] - [ 0.0002950100000000, 0.0003981600000000, 0.0000315900000000 ] - [ -0.0001555300000000, -0.0001591600000000, 0.0003115500000000 ] - [ 0.0003486300000000, -0.0000086600000000, 0.0000837900000000 ] - [ 0.0001637600000000, 0.0008259500000000, 0.0005750300000000 ] - [ -0.0000352500000000, -0.0003249300000000, 0.0001647000000000 ] - [ -0.0003261700000000, -0.0000999900000000, -0.0000189500000000 ] - [ 0.0006636500000000, 0.0001602700000000, 0.0006097600000000 ] - [ 0.0007838300000000, -0.0001231400000000, -0.0005488500000000 ] - [ 0.0005558800000000, 0.0004228300000000, 0.0000558300000000 ] - [ 0.0004848500000000, 0.0003988500000000, 0.0000919700000000 ] - [ 0.0002777200000000, 0.0000274700000000, 0.0003615200000000 ] - [ 0.0001670800000000, 0.0002110200000000, -0.0004069900000000 ] - [ 0.0012729200000000, -0.0003047900000000, 0.0002761500000000 ] - [ 0.0016431700000000, 0.0002502500000000, -0.0005504500000000 ] - [ 0.0004387600000000, -0.0000144100000000, -0.0001993200000000 ] - [ -0.0002752700000000, -0.0001819400000000, -0.0002932500000000 ] - [ 0.0000037600000000, 0.0005015300000000, -0.0003098900000000 ] - [ -0.0002827900000000, 0.0009713100000000, -0.0019626200000000 ] - [ -0.0002628700000000, -0.0001072800000000, -0.0003003700000000 ] - [ -0.0002792000000000, 0.0001463600000000, 0.0000593700000000 ] - [ -0.0038781600000000, 0.0002779200000000, 0.0004394000000000 ] - [ -0.0013269200000000, -0.0001013400000000, 0.0000046600000000 ] - [ -0.0010794600000000, -0.0008205400000000, 0.0019696400000000 ] - [ 0.0004810900000000, 0.0001486200000000, -0.0003073300000000 ] - [ -0.0002546300000000, 0.0013694200000000, 0.0002548700000000 ] - [ 0.0016024500000000, -0.0007829100000000, -0.0005389000000000 ] - [ 0.0006631500000000, 0.0003785800000000, 0.0003246100000000 ] - [ 0.0010727700000000, 0.0007420800000000, -0.0002781900000000 ] - [ 0.0010181600000000, 0.0002513300000000, -0.0005400300000000 ] - [ 0.0008741700000000, -0.0005172000000000, 0.0003917600000000 ] - [ 0.0048687000000000, -0.0021486700000000, 0.0018930700000000 ] - [ -0.0006390500000000, -0.0003931100000000, -0.0008124200000000 ] - [ -0.0037932100000000, 0.0023026500000000, 0.0020957800000000 ] - [ -0.0011238100000000, 0.0004388400000000, 0.0001008000000000 ] - [ -0.0008349800000000, 0.0011818200000000, 0.0000502000000000 ] - [ -0.0013250300000000, -0.0011494300000000, -0.0011360000000000 ] - [ 0.0002866900000000, 0.0031967800000000, -0.0032010200000000 ] - [ -0.0000249500000000, -0.0002491400000000, 0.0009697000000000 ] - [ 0.0015727000000000, 0.0011792000000000, 0.0014896300000000 ] - [ 0.0003548000000000, -0.0000521000000000, 0.0002511200000000 ] - [ 0.0014267600000000, 0.0000238800000000, 0.0003973600000000 ] - [ 0.0008129300000000, -0.0006358000000000, -0.0006657100000000 ] - [ 0.0041976700000000, -0.0002578100000000, -0.0003311000000000 ] - [ 0.0004879800000000, 0.0001934200000000, -0.0000375100000000 ] - [ 0.0003571400000000, -0.0014608400000000, -0.0013479700000000 ] - [ 0.0010740400000000, 0.0002712900000000, 0.0008280300000000 ] - [ 0.0005193400000000, -0.0009577600000000, 0.0029850200000000 ] - [ -0.0011487700000000, 0.0001287500000000, -0.0005439700000000 ] - [ -0.1278957800000000, -0.0865200600000000, 0.0870374700000000 ] - [ 0.0000332100000000, 0.0007563400000000, 0.0000071600000000 ] - [ -0.0000545400000000, -0.0005562400000000, -0.0001615100000000 ] - [ -0.0001418600000000, 0.0005833400000000, -0.0008187700000000 ] - [ -0.0001501200000000, -0.0001170300000000, 0.0005366700000000 ] - [ -0.0005343400000000, -0.0019766900000000, 0.0022828300000000 ] - [ 0.0006129500000000, 0.0000675500000000, -0.0003606300000000 ] - [ 0.0006078300000000, -0.0000406500000000, 0.0012865200000000 ] - [ -0.0005047600000000, -0.0000708800000000, 0.0000792200000000 ] - [ 0.0000752200000000, 0.0001162800000000, 0.0007025800000000 ] - [ -0.0001877600000000, 0.0000950200000000, -0.0004600300000000 ] - [ 0.0008917300000000, 0.0010284300000000, 0.0000748800000000 ] - [ -0.0000560100000000, -0.0005316700000000, 0.0000503000000000 ] - [ 0.0001919300000000, -0.0007484800000000, -0.0000032300000000 ] - [ 0.0003853400000000, 0.0003555700000000, 0.0003229700000000 ] - [ 0.0007390800000000, 0.0002822700000000, 0.0002542200000000 ] - [ 0.0001159700000000, -0.0000359000000000, -0.0010932500000000 ] - [ 0.0011274400000000, 0.0000484900000000, 0.0000207800000000 ] - [ 0.0004814800000000, -0.0002869000000000, -0.0002542800000000 ] - [ -0.0003453700000000, 0.0005179500000000, -0.0002037200000000 ] - [ -0.0008523400000000, -0.0000393300000000, -0.0000966700000000 ] - [ 0.0012277800000000, -0.0000308700000000, 0.0019181500000000 ] - [ -0.0004173800000000, 0.0005550800000000, 0.0010781700000000 ] - [ 0.0001512800000000, -0.0006601700000000, 0.0001075100000000 ] - [ -0.0022710400000000, -0.0026735800000000, -0.0013170700000000 ] - [ 0.0009003100000000, -0.0005729900000000, -0.0000985200000000 ] - [ 0.0006892900000000, 0.0002065700000000, 0.0007337900000000 ] - [ 0.0012382700000000, -0.0017853500000000, 0.0006001900000000 ] - [ 0.0004252100000000, 0.0001235000000000, 0.0000938300000000 ] - [ 0.0092370400000000, 0.0016746400000000, -0.0021226100000000 ] - [ 0.1411337300000000, 0.1005127600000000, -0.1006409400000000 ] - [ 0.0008352500000000, -0.0003816700000000, -0.0001098300000000 ] - [ 0.0020213500000000, 0.0006836200000000, -0.0007337300000000 ] - [ 0.0004485300000000, -0.0003346200000000, -0.0003723800000000 ] - [ 0.0005030700000000, -0.0011329200000000, -0.0002587000000000 ] - [ 0.0008864400000000, -0.0009973000000000, 0.0016640500000000 ] - [ 0.0004767900000000, -0.0006170900000000, 0.0002127400000000 ] - [ -0.0002864300000000, -0.0020276300000000, 0.0006125800000000 ] - [ 0.0000336600000000, 0.0000887800000000, -0.0004204900000000 ] - [ 0.0005218000000000, 0.0007777200000000, 0.0005372000000000 ] - [ -0.0001643400000000, 0.0000034300000000, -0.0001624500000000 ] - [ 0.0004844000000000, -0.0006874500000000, -0.0006114900000000 ] - [ -0.0000978800000000, -0.0003390500000000, -0.0019934500000000 ] - [ 0.0003912700000000, 0.0002249000000000, 0.0009469300000000 ] - [ -0.0024787000000000, 0.0029676200000000, -0.0018361500000000 ] - [ -0.0006527900000000, 0.0009440600000000, 0.0009647700000000 ] - [ -0.0001027100000000, 0.0004924300000000, 0.0000218800000000 ] - [ -0.0023717000000000, -0.0015960100000000, 0.0024689100000000 ] - [ -0.0009225400000000, -0.0015057800000000, -0.0006935500000000 ] - [ -0.0001834200000000, -0.0006449800000000, 0.0005992700000000 ] - [ -0.0000679400000000, -0.0001831500000000, -0.0003867000000000 ] - [ 0.0002546600000000, -0.0001385000000000, 0.0003677600000000 ] - [ -0.0007920700000000, 0.0005150700000000, -0.0013116000000000 ] - [ -0.0002221000000000, 0.0006054400000000, -0.0006294200000000 ] - [ -0.0007582500000000, -0.0001371300000000, -0.0005448400000000 ] - [ -0.0014096100000000, 0.0000946300000000, -0.0010644000000000 ] - [ -0.0007668400000000, 0.0001634600000000, -0.0003807100000000 ] - [ -0.0004256200000000, 0.0000269200000000, 0.0000001100000000 ] - [ -0.0003893200000000, 0.0005951100000000, 0.0007244500000000 ] - [ -0.0018103100000000, 0.0002238100000000, -0.0000250700000000 ] - [ -0.0006138500000000, 0.0004216300000000, 0.0001841000000000 ] - [ -0.0013189700000000, -0.0001147900000000, -0.0001055500000000 ] - [ -0.0015411000000000, 0.0000924900000000, -0.0002777500000000 ] - [ 0.0003300900000000, 0.0007222300000000, 0.0000318900000000 ] - [ -0.0005335700000000, -0.0004344800000000, -0.0006716200000000 ] - [ -0.0006425100000000, 0.0004469300000000, -0.0000323700000000 ] - [ -0.0004317400000000, -0.0002463300000000, 0.0002148600000000 ] - [ -0.0010257000000000, 0.0002144400000000, 0.0000552600000000 ] - [ -0.0004752600000000, -0.0000002500000000, -0.0000732700000000 ] - [ -0.0001125900000000, 0.0001127100000000, 0.0006794400000000 ] - [ -0.0003802400000000, 0.0001437500000000, 0.0004295800000000 ] - [ -0.0005009700000000, 0.0006269100000000, 0.0002646100000000 ] - [ -0.0006393200000000, 0.0006038100000000, 0.0010893900000000 ] - [ -0.0005511000000000, 0.0003051200000000, 0.0008921000000000 ] - [ -0.0036209900000000, -0.0007597000000000, -0.0006331400000000 ] - [ -0.0010216200000000, 0.0006369100000000, 0.0011171400000000 ] - [ -0.0008107500000000, -0.0001260900000000, -0.0002580500000000 ] - [ 0.0000006300000000, -0.0005840500000000, -0.0000900100000000 ] - [ -0.0008826300000000, -0.0001300900000000, -0.0002825800000000 ] - [ -0.0002178000000000, 0.0003102300000000, -0.0004197300000000 ] - [ 0.0002000300000000, 0.0003894900000000, -0.0006419000000000 ] - [ 0.0006623800000000, 0.0000176900000000, -0.0005846000000000 ] - [ -0.0010521800000000, -0.0002847500000000, -0.0006459100000000 ] - [ -0.0006213700000000, 0.0000821900000000, -0.0000981900000000 ] - [ -0.0005756500000000, -0.0008830200000000, 0.0008511000000000 ] - [ 0.0004004300000000, 0.0002941900000000, 0.0002141300000000 ] - [ -0.0013411200000000, 0.0023372600000000, -0.0020771600000000 ] - [ -0.0000907100000000, 0.0005003600000000, 0.0008980300000000 ] - [ -0.0002021800000000, -0.0000526600000000, -0.0003986700000000 ] - [ 0.0009727400000000, 0.0002297600000000, -0.0001945100000000 ] - [ -0.0006067700000000, -0.0007163600000000, -0.0004937400000000 ] - [ -0.0004967700000000, -0.0012276400000000, -0.0022191500000000 ] - [ -0.0106722800000000, -0.0018775000000000, 0.0144332300000000 ] - [ 0.0007273100000000, 0.0000283400000000, -0.0002234100000000 ] - [ -0.0030952200000000, -0.0142120300000000, 0.0003883500000000 ] - [ 0.0003019100000000, -0.0000753300000000, -0.0000282100000000 ] - [ 0.0007796800000000, -0.0003146000000000, 0.0001853400000000 ] - [ 0.0006067400000000, 0.0000827100000000, 0.0001282500000000 ] - [ 0.0001625200000000, -0.0003770000000000, 0.0001246700000000 ] - [ 0.0004459500000000, 0.0002442500000000, -0.0004910700000000 ] - [ 0.0009825100000000, 0.0012926200000000, 0.0006729500000000 ]- atom: 84 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030552700000000, -0.0012616100000000, -0.0040327200000000 ] - [ -0.0000999200000000, 0.0001451100000000, -0.0003260700000000 ] - [ 0.0045869600000000, 0.0005211900000000, -0.0006644700000000 ] - [ 0.0009354200000000, 0.0004201100000000, 0.0004795000000000 ] - [ 0.0018934500000000, 0.0011016100000000, -0.0020839300000000 ] - [ 0.0014038400000000, -0.0011278400000000, 0.0027759200000000 ] - [ 0.0003345600000000, -0.0003091100000000, -0.0002326000000000 ] - [ 0.0002495100000000, -0.0004201000000000, 0.0004723700000000 ] - [ -0.0005635500000000, 0.0025928000000000, 0.0003473900000000 ] - [ 0.0000260800000000, 0.0000771600000000, 0.0005966100000000 ] - [ -0.0035531200000000, -0.0006090400000000, -0.0012953700000000 ] - [ -0.0004407800000000, 0.0004151900000000, -0.0001986100000000 ] - [ -0.0005903500000000, 0.0004956000000000, 0.0005024700000000 ] - [ -0.0007797800000000, -0.0003142200000000, 0.0003589700000000 ] - [ -0.0004366000000000, 0.0002275500000000, -0.0003214800000000 ] - [ -0.0010357700000000, 0.0001562100000000, -0.0001657200000000 ] - [ -0.0014934800000000, -0.0004378900000000, 0.0004866700000000 ] - [ 0.0000585000000000, -0.0004151500000000, -0.0006727600000000 ] - [ -0.0009036300000000, -0.0002356200000000, -0.0000588200000000 ] - [ -0.0004263000000000, 0.0005892300000000, -0.0004498800000000 ] - [ -0.0007942900000000, 0.0003445800000000, 0.0002998400000000 ] - [ 0.0003315400000000, -0.0020553400000000, -0.0009245800000000 ] - [ 0.0006210300000000, -0.0000172800000000, 0.0015657300000000 ] - [ 0.0000653700000000, -0.0001375800000000, -0.0001386200000000 ] - [ 0.0011879000000000, -0.0003927100000000, 0.0003187400000000 ] - [ 0.0016696300000000, -0.0002752100000000, 0.0016183200000000 ] - [ -0.0000733800000000, 0.0051956000000000, 0.0046059300000000 ] - [ 0.0003439600000000, -0.0005709800000000, -0.0009120900000000 ] - [ -0.0059451400000000, -0.0066094700000000, -0.0028884000000000 ] - [ -0.0010257700000000, 0.0005940600000000, -0.0000725100000000 ] - [ -0.0001427200000000, 0.0003654500000000, 0.0003488500000000 ] - [ -0.0019234300000000, -0.0006462900000000, -0.0002692300000000 ] - [ -0.0014006300000000, 0.0008395600000000, -0.0013879600000000 ] - [ -0.0020500800000000, 0.0007983400000000, 0.0001508200000000 ] - [ -0.0007109000000000, -0.0004779500000000, 0.0001116500000000 ] - [ 0.0263756500000000, 0.0158310300000000, -0.0336239800000000 ] - [ 0.0026022200000000, 0.0006845500000000, -0.0009033600000000 ] - [ 0.0023140800000000, -0.0047324900000000, 0.0020577000000000 ] - [ 0.1961728200000000, -0.0282911000000000, -0.0562695600000000 ] - [ 0.0020738100000000, -0.0016618400000000, 0.0003423900000000 ] - [ 0.0018730800000000, -0.0006444100000000, 0.0021606000000000 ] - [ 0.0009930600000000, -0.0002037800000000, -0.0001606800000000 ] - [ -0.0027511900000000, 0.0004187600000000, 0.0004229700000000 ] - [ -0.0014055700000000, 0.0004252400000000, -0.0003345200000000 ] - [ -0.0038732300000000, 0.0003722000000000, 0.0011012900000000 ] - [ -0.0025407500000000, -0.0007500000000000, -0.0026086400000000 ] - [ -0.0017079600000000, -0.0009281200000000, 0.0005746900000000 ] - [ -0.0011450800000000, 0.0003936400000000, 0.0002984300000000 ] - [ -0.0092945300000000, 0.0017966200000000, -0.0050030900000000 ] - [ 0.0001180700000000, 0.0005465600000000, -0.0001516700000000 ] - [ -0.0001789600000000, 0.0010998500000000, -0.0008957100000000 ] - [ 0.0051662300000000, 0.0067574700000000, 0.0058601600000000 ] - [ 0.0005008400000000, 0.0004842500000000, 0.0003021500000000 ] - [ 0.0006058100000000, -0.0004518600000000, -0.0000282300000000 ] - [ 0.0003935700000000, -0.0001959500000000, -0.0005001900000000 ] - [ 0.0002179600000000, 0.0000426300000000, 0.0007801900000000 ] - [ 0.0022676200000000, -0.0001595900000000, -0.0000377100000000 ] - [ 0.0010045500000000, -0.0001895100000000, -0.0000281500000000 ] - [ -0.0006000600000000, -0.0002607900000000, 0.0001664900000000 ] - [ -0.0005577400000000, -0.0005817100000000, 0.0003990400000000 ] - [ 0.0000979400000000, 0.0001609700000000, 0.0006754300000000 ] - [ -0.0003853800000000, 0.0005333300000000, -0.0001474200000000 ] - [ -0.0004963100000000, 0.0001663800000000, -0.0004400600000000 ] - [ -0.0001727500000000, -0.0006559900000000, 0.0000255800000000 ] - [ -0.0005060400000000, -0.0010732600000000, 0.0000160700000000 ] - [ -0.0014250800000000, 0.0014360300000000, -0.0002145000000000 ] - [ 0.0000689200000000, -0.0000118400000000, 0.0005641900000000 ] - [ -0.0002302200000000, 0.0002360800000000, -0.0003482400000000 ] - [ -0.0006466800000000, -0.0003658800000000, -0.0004450000000000 ] - [ 0.0002927400000000, -0.0002316500000000, -0.0001379600000000 ] - [ -0.0016909900000000, -0.0005333400000000, 0.0020226000000000 ] - [ -0.0007423600000000, -0.0000078500000000, -0.0001324300000000 ] - [ -0.0014971300000000, 0.0009071800000000, -0.0007619800000000 ] - [ -0.0018740800000000, 0.0001569900000000, -0.0004922400000000 ] - [ -0.0003771500000000, -0.0004017600000000, 0.0003518600000000 ] - [ 0.0001908300000000, 0.0013830700000000, 0.0001964400000000 ] - [ -0.0001034800000000, -0.0004446200000000, -0.0002592300000000 ] - [ -0.0003574900000000, 0.0001635800000000, 0.0007238300000000 ] - [ 0.0003171100000000, 0.0046191400000000, -0.0047022500000000 ] - [ -0.0014800500000000, -0.0007681300000000, 0.0013100800000000 ] - [ -0.0027163300000000, -0.0005719500000000, -0.0019753000000000 ] - [ -0.0017096000000000, -0.0017772400000000, -0.0006496200000000 ] - [ -0.0004091900000000, -0.0001207700000000, -0.0003387400000000 ] - [ -0.2756921800000000, 0.0098258900000000, 0.1250994100000000 ] - [ -0.0021294900000000, -0.0017341300000000, -0.0009077000000000 ] - [ -0.0012575300000000, -0.0007300400000000, -0.0004526600000000 ] - [ -0.0012265600000000, 0.0002178800000000, -0.0003672700000000 ] - [ -0.0026211800000000, 0.0011082900000000, 0.0002809100000000 ] - [ -0.0008542000000000, 0.0008502900000000, 0.0004361500000000 ] - [ -0.0011369200000000, -0.0003330800000000, -0.0008318400000000 ] - [ 0.0010049000000000, -0.0077449400000000, -0.0161631300000000 ] - [ -0.0013262700000000, 0.0004318700000000, -0.0009400400000000 ] - [ -0.0001280500000000, -0.0002132100000000, -0.0003622000000000 ] - [ -0.0000195800000000, 0.0000189700000000, 0.0000833700000000 ] - [ 0.0000088800000000, 0.0009869900000000, 0.0002820800000000 ] - [ -0.0017043100000000, 0.0004702300000000, 0.0016328600000000 ] - [ 0.0181621600000000, 0.0162529600000000, -0.0074029100000000 ] - [ 0.0132742800000000, -0.0087175500000000, 0.0017603400000000 ] - [ -0.0003972800000000, 0.0025599800000000, 0.0007444800000000 ] - [ -0.0005170200000000, -0.0004776800000000, 0.0003443600000000 ] - [ -0.0002699800000000, 0.0002866600000000, -0.0001584200000000 ] - [ 0.0002325300000000, -0.0000272000000000, -0.0029313200000000 ] - [ 0.0021672700000000, -0.0016794400000000, -0.0003801000000000 ] - [ -0.0001282700000000, 0.0001213800000000, -0.0006699400000000 ] - [ -0.0000638300000000, 0.0003076500000000, -0.0008660400000000 ] - [ 0.0002149000000000, -0.0001489200000000, 0.0003161700000000 ] - [ -0.0005087900000000, 0.0002731200000000, -0.0007797800000000 ] - [ 0.0002479600000000, -0.0002879100000000, 0.0001125900000000 ] - [ 0.0011006700000000, 0.0002297000000000, -0.0007005400000000 ] - [ 0.0029173600000000, 0.0016021900000000, -0.0020043200000000 ] - [ 0.0006246800000000, 0.0000200700000000, 0.0003245700000000 ] - [ 0.0002032200000000, 0.0001168400000000, -0.0002057600000000 ] - [ 0.0027969300000000, 0.0003107600000000, 0.0030660600000000 ] - [ -0.0002195300000000, 0.0007914900000000, 0.0000641700000000 ] - [ 0.0029137900000000, 0.0001064500000000, -0.0002269700000000 ] - [ 0.0011780000000000, -0.0004617800000000, -0.0001741300000000 ] - [ 0.0013520100000000, 0.0004994400000000, 0.0004123600000000 ] - [ 0.0007557000000000, -0.0000622600000000, -0.0000563900000000 ] - [ 0.0015539500000000, 0.0001506000000000, 0.0001096000000000 ] - [ 0.0006946100000000, -0.0002205800000000, 0.0002312300000000 ] - [ 0.0013622600000000, 0.0004330300000000, -0.0003917400000000 ] - [ 0.0013406100000000, 0.0003574500000000, 0.0007609700000000 ] - [ 0.0022750300000000, -0.0002325200000000, 0.0005793900000000 ] - [ 0.0004976000000000, 0.0006249600000000, 0.0002715800000000 ] - [ 0.0008322700000000, -0.0000792000000000, 0.0000034500000000 ] - [ 0.0017739300000000, 0.0001692500000000, -0.0000637700000000 ] - [ 0.0005206000000000, -0.0004424300000000, -0.0000667200000000 ] - [ 0.0028429400000000, -0.0008293700000000, 0.0001832700000000 ] - [ 0.0009218100000000, -0.0003702200000000, 0.0000837400000000 ] - [ 0.0033708500000000, 0.0015855000000000, 0.0019011100000000 ] - [ 0.0007571000000000, 0.0000810600000000, 0.0004831500000000 ] - [ 0.0010520000000000, 0.0000839000000000, -0.0000969200000000 ] - [ 0.0008368900000000, -0.0000411500000000, -0.0005588300000000 ] - [ 0.0013689100000000, 0.0007973300000000, -0.0019674400000000 ] - [ -0.0001499400000000, 0.0003442400000000, -0.0003904700000000 ] - [ 0.0004247100000000, 0.0001173100000000, -0.0004400900000000 ] - [ 0.0008514000000000, 0.0000070300000000, -0.0002608000000000 ] - [ 0.0000815500000000, 0.0003053200000000, -0.0000190300000000 ] - [ 0.0005188800000000, -0.0003072800000000, -0.0000066800000000 ] - [ 0.0035002600000000, -0.0002439500000000, 0.0027435700000000 ] - [ 0.0004547200000000, -0.0003302900000000, 0.0000776700000000 ] - [ 0.0139244300000000, 0.0046780300000000, 0.0014539300000000 ] - [ 0.0027576000000000, -0.0026328500000000, 0.0013495200000000 ] - [ 0.0005700400000000, -0.0027271500000000, -0.0011933200000000 ] - [ -0.0005200600000000, -0.0002220800000000, 0.0008202900000000 ] - [ 0.0038643300000000, -0.0081011500000000, -0.0087997200000000 ] - [ -0.0010310300000000, 0.0010040900000000, 0.0012584000000000 ] - [ -0.0002342500000000, -0.0003959800000000, -0.0002777200000000 ] - [ -0.0001329200000000, 0.0013924900000000, -0.0001032000000000 ] - [ -0.0004810600000000, -0.0010436300000000, -0.0001864700000000 ] - [ 0.0002915700000000, 0.0012796500000000, -0.0023661000000000 ] - [ -0.0007907500000000, -0.0011284400000000, -0.0002059500000000 ]- atom: 84 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026196000000000, 0.0004145500000000, 0.0038103400000000 ] - [ -0.0004964300000000, -0.0000539300000000, -0.0006731200000000 ] - [ -0.0047258300000000, -0.0009995100000000, 0.0014884200000000 ] - [ 0.0000689600000000, 0.0001774700000000, -0.0003870000000000 ] - [ -0.0017728000000000, -0.0001063500000000, 0.0026746100000000 ] - [ -0.0005626400000000, 0.0012778000000000, -0.0022903000000000 ] - [ -0.0011556200000000, 0.0001598300000000, 0.0007029300000000 ] - [ -0.0003370200000000, -0.0005805200000000, 0.0001286500000000 ] - [ -0.0004316300000000, -0.0031699600000000, -0.0002527000000000 ] - [ 0.0001274300000000, 0.0003926900000000, 0.0002351800000000 ] - [ 0.0041301800000000, 0.0005130800000000, 0.0002893800000000 ] - [ -0.0000284800000000, 0.0004125600000000, 0.0000447300000000 ] - [ 0.0010576500000000, 0.0003341200000000, -0.0003453300000000 ] - [ 0.0001799000000000, 0.0002215700000000, 0.0006399500000000 ] - [ 0.0002833200000000, 0.0002418100000000, -0.0005081500000000 ] - [ 0.0020310000000000, -0.0007556600000000, 0.0000758700000000 ] - [ 0.0015737800000000, -0.0005605500000000, -0.0010874100000000 ] - [ 0.0007684900000000, 0.0002651500000000, 0.0002024500000000 ] - [ 0.0000705100000000, 0.0003863800000000, -0.0004131600000000 ] - [ 0.0003326400000000, 0.0004102400000000, -0.0001497400000000 ] - [ -0.0002081800000000, 0.0002533700000000, -0.0003871200000000 ] - [ -0.0001839700000000, 0.0015802000000000, 0.0000899300000000 ] - [ -0.0000244800000000, 0.0001118500000000, -0.0005535400000000 ] - [ -0.0005346300000000, -0.0006897800000000, 0.0002890000000000 ] - [ -0.0007623700000000, -0.0007128900000000, 0.0003208100000000 ] - [ -0.0010230500000000, -0.0001480600000000, -0.0005062700000000 ] - [ 0.0011715000000000, -0.0045374500000000, -0.0050134000000000 ] - [ -0.0014370100000000, -0.0000704100000000, 0.0004806100000000 ] - [ 0.0052632900000000, 0.0069795900000000, 0.0039535700000000 ] - [ 0.0006006400000000, 0.0005096000000000, 0.0007049900000000 ] - [ 0.0005667100000000, 0.0007394700000000, -0.0009826000000000 ] - [ 0.0025518700000000, 0.0010725300000000, -0.0008356100000000 ] - [ 0.0024990900000000, -0.0014793800000000, 0.0018171700000000 ] - [ 0.0009354600000000, -0.0001598900000000, 0.0002711600000000 ] - [ 0.0000629100000000, 0.0000505300000000, -0.0012098100000000 ] - [ -0.0277397300000000, -0.0177423400000000, 0.0347662500000000 ] - [ -0.0032595900000000, -0.0000137100000000, 0.0015701400000000 ] - [ -0.0017592100000000, 0.0051969200000000, -0.0014914000000000 ] - [ -0.1861627100000000, 0.0270309900000000, 0.0509337500000000 ] - [ -0.0025558100000000, 0.0011500200000000, 0.0001609600000000 ] - [ -0.0013613300000000, 0.0011465400000000, -0.0016477200000000 ] - [ -0.0000736600000000, -0.0007055600000000, -0.0007500800000000 ] - [ 0.0021997600000000, -0.0009635400000000, 0.0001294900000000 ] - [ 0.0020649900000000, -0.0010849300000000, 0.0009918900000000 ] - [ 0.0031869100000000, -0.0010403000000000, -0.0017555700000000 ] - [ 0.0030787600000000, 0.0001974800000000, 0.0020440800000000 ] - [ 0.0007869600000000, 0.0000170900000000, 0.0003432600000000 ] - [ 0.0006356700000000, 0.0001056300000000, -0.0007973200000000 ] - [ 0.0097753300000000, -0.0022845000000000, 0.0044796700000000 ] - [ 0.0007872500000000, 0.0003658700000000, 0.0010621300000000 ] - [ -0.0003845500000000, -0.0005426200000000, 0.0003438000000000 ] - [ -0.0045095700000000, -0.0060673400000000, -0.0064963900000000 ] - [ -0.0003049900000000, 0.0009679100000000, -0.0002552200000000 ] - [ -0.0003132900000000, -0.0004623900000000, -0.0004368500000000 ] - [ 0.0000751200000000, -0.0000960200000000, -0.0004106900000000 ] - [ -0.0002619900000000, -0.0002360700000000, 0.0006691800000000 ] - [ -0.0008083100000000, 0.0002069700000000, 0.0002392100000000 ] - [ -0.0000854200000000, 0.0006519200000000, 0.0003161100000000 ] - [ -0.0003092500000000, -0.0002083000000000, 0.0001253900000000 ] - [ -0.0008934500000000, 0.0005315400000000, -0.0002025400000000 ] - [ -0.0000510100000000, 0.0000334000000000, 0.0007746200000000 ] - [ -0.0000799400000000, -0.0002438900000000, -0.0007653000000000 ] - [ 0.0002055400000000, 0.0007456200000000, -0.0000270900000000 ] - [ -0.0000210500000000, -0.0007955700000000, 0.0000193700000000 ] - [ 0.0006963300000000, -0.0003819200000000, -0.0000593400000000 ] - [ 0.0017103200000000, -0.0005198000000000, 0.0006802100000000 ] - [ 0.0003969300000000, 0.0003001700000000, 0.0003497300000000 ] - [ 0.0001847300000000, -0.0000422600000000, -0.0011023400000000 ] - [ 0.0020921900000000, 0.0003196000000000, 0.0002483200000000 ] - [ 0.0006198900000000, -0.0002347200000000, -0.0001519400000000 ] - [ 0.0007710900000000, 0.0009962900000000, -0.0023119400000000 ] - [ -0.0007109700000000, 0.0000520300000000, -0.0000609900000000 ] - [ 0.0015427300000000, -0.0011000000000000, -0.0007069800000000 ] - [ 0.0014141400000000, -0.0004521900000000, 0.0014096000000000 ] - [ 0.0000854200000000, -0.0005122000000000, 0.0001152500000000 ] - [ -0.0003841200000000, 0.0000716700000000, -0.0002400500000000 ] - [ 0.0013800600000000, -0.0007961100000000, 0.0000800800000000 ] - [ 0.0001400500000000, 0.0004236200000000, 0.0003698700000000 ] - [ 0.0002506000000000, -0.0056038900000000, 0.0048447500000000 ] - [ 0.0011978200000000, 0.0010441100000000, -0.0015808900000000 ] - [ 0.0019433400000000, -0.0002110200000000, 0.0021875900000000 ] - [ 0.0017759100000000, 0.0018236900000000, 0.0005781800000000 ] - [ 0.0011858800000000, -0.0001009000000000, -0.0004317000000000 ] - [ 0.2656306200000000, -0.0074160800000000, -0.1229703500000000 ] - [ 0.0023481800000000, 0.0009588600000000, 0.0001284700000000 ] - [ 0.0014242300000000, -0.0005428400000000, -0.0007871100000000 ] - [ 0.0015947100000000, -0.0001808900000000, -0.0003715500000000 ] - [ 0.0015093400000000, -0.0008755500000000, 0.0003015700000000 ] - [ 0.0008886800000000, -0.0001021000000000, -0.0008047300000000 ] - [ 0.0007545000000000, -0.0000451600000000, 0.0004484600000000 ] - [ -0.0005414800000000, 0.0086516300000000, 0.0164378000000000 ] - [ 0.0005811400000000, -0.0008076400000000, 0.0008971100000000 ] - [ 0.0004390700000000, -0.0000998600000000, 0.0000477700000000 ] - [ 0.0010617100000000, 0.0005404900000000, 0.0004181700000000 ] - [ 0.0012272600000000, -0.0008020900000000, 0.0009933100000000 ] - [ 0.0004466300000000, -0.0006437100000000, -0.0003570300000000 ] - [ -0.0187542500000000, -0.0163547400000000, 0.0076887500000000 ] - [ -0.0132137200000000, 0.0087687400000000, -0.0020072600000000 ] - [ 0.0011309100000000, -0.0021656800000000, -0.0007759700000000 ] - [ 0.0000067100000000, -0.0005604300000000, 0.0002162100000000 ] - [ 0.0006415400000000, 0.0000903900000000, -0.0002184200000000 ] - [ -0.0002764000000000, -0.0007153700000000, 0.0025504500000000 ] - [ -0.0010773000000000, 0.0014663900000000, 0.0009569300000000 ] - [ -0.0002472700000000, -0.0001665400000000, -0.0000764800000000 ] - [ -0.0001138000000000, 0.0009721300000000, -0.0003746100000000 ] - [ -0.0004449000000000, 0.0009093800000000, -0.0010866200000000 ] - [ -0.0000558000000000, 0.0002324600000000, -0.0002650100000000 ] - [ -0.0010213500000000, 0.0005175700000000, -0.0008707700000000 ] - [ -0.0011550600000000, -0.0002892300000000, 0.0006325800000000 ] - [ -0.0021271500000000, -0.0008094300000000, 0.0022107800000000 ] - [ -0.0003347900000000, -0.0003090300000000, -0.0006098700000000 ] - [ -0.0007896800000000, 0.0009733600000000, 0.0004201600000000 ] - [ -0.0025634100000000, -0.0008923300000000, -0.0019569800000000 ] - [ -0.0010568700000000, 0.0004494100000000, -0.0002394700000000 ] - [ -0.0016268000000000, 0.0011336100000000, 0.0003977300000000 ] - [ -0.0013936500000000, -0.0001307800000000, -0.0009193600000000 ] - [ -0.0007635600000000, 0.0005876100000000, -0.0006157200000000 ] - [ -0.0010456800000000, -0.0002302100000000, 0.0003466100000000 ] - [ -0.0023110000000000, 0.0006262900000000, -0.0003291200000000 ] - [ -0.0006277300000000, 0.0001562000000000, -0.0001653100000000 ] - [ -0.0005786800000000, -0.0002055000000000, 0.0011546400000000 ] - [ -0.0007781400000000, 0.0001516200000000, 0.0002754800000000 ] - [ -0.0020382300000000, 0.0010001100000000, 0.0001929000000000 ] - [ -0.0003196800000000, 0.0006544300000000, 0.0009674100000000 ] - [ -0.0004521700000000, 0.0000388700000000, 0.0007357300000000 ] - [ -0.0028461700000000, -0.0003751500000000, -0.0005158800000000 ] - [ -0.0004729800000000, -0.0003015100000000, 0.0004359900000000 ] - [ -0.0032113700000000, 0.0012058700000000, 0.0001968700000000 ] - [ -0.0004102800000000, -0.0006684400000000, -0.0006462700000000 ] - [ -0.0041059600000000, -0.0012117100000000, -0.0018628000000000 ] - [ -0.0004392500000000, 0.0002329900000000, -0.0001685900000000 ] - [ -0.0000026600000000, -0.0006483000000000, -0.0004055100000000 ] - [ 0.0004069800000000, -0.0001358400000000, -0.0007196300000000 ] - [ -0.0025995000000000, -0.0006201200000000, 0.0006918100000000 ] - [ -0.0008909300000000, 0.0002166500000000, -0.0001158200000000 ] - [ -0.0007328000000000, -0.0004296000000000, 0.0007493000000000 ] - [ -0.0001054400000000, -0.0003820800000000, 0.0002981800000000 ] - [ -0.0005878300000000, 0.0007296000000000, -0.0005354200000000 ] - [ -0.0001404600000000, -0.0000685400000000, 0.0003812200000000 ] - [ -0.0035543200000000, 0.0009858100000000, -0.0023760000000000 ] - [ 0.0006403000000000, 0.0005415300000000, -0.0006624300000000 ] - [ -0.0143523300000000, -0.0047077800000000, -0.0006944500000000 ] - [ -0.0029414700000000, 0.0013692900000000, -0.0001027000000000 ] - [ -0.0007924000000000, 0.0019578500000000, 0.0019642100000000 ] - [ -0.0000404600000000, -0.0002824000000000, 0.0002255700000000 ] - [ -0.0046677800000000, 0.0078960300000000, 0.0096169900000000 ] - [ 0.0009703800000000, -0.0009410100000000, -0.0011942300000000 ] - [ 0.0010035200000000, -0.0003839200000000, 0.0000515200000000 ] - [ 0.0004281700000000, -0.0010867700000000, 0.0003961400000000 ] - [ -0.0001056200000000, -0.0000546200000000, -0.0000336100000000 ] - [ -0.0000650900000000, -0.0006758300000000, 0.0012519100000000 ] - [ -0.0004862800000000, -0.0001134500000000, 0.0003813400000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005352600000000, 0.0023272000000000, -0.0005227100000000 ] - [ -0.0002956100000000, -0.0003309300000000, -0.0004706600000000 ] - [ 0.0001797900000000, 0.0073792900000000, -0.0000779800000000 ] - [ 0.0006146500000000, 0.0001333400000000, 0.0000954400000000 ] - [ 0.0004676000000000, 0.0008396900000000, 0.0016908500000000 ] - [ 0.0003305300000000, 0.0010387600000000, 0.0013191300000000 ] - [ -0.0008484600000000, -0.0004346600000000, -0.0002892900000000 ] - [ -0.0000309500000000, -0.0009475600000000, 0.0003319100000000 ] - [ 0.0000038800000000, -0.0015631000000000, -0.0001497600000000 ] - [ 0.0000881800000000, 0.0003118400000000, 0.0004436800000000 ] - [ 0.0012340100000000, 0.0008596500000000, -0.0004055000000000 ] - [ -0.0002293200000000, 0.0002082800000000, -0.0000975100000000 ] - [ 0.0004054500000000, 0.0006705800000000, 0.0000155900000000 ] - [ -0.0003739000000000, -0.0004046000000000, 0.0005146700000000 ] - [ -0.0000157100000000, 0.0001706200000000, -0.0003940100000000 ] - [ 0.0007864200000000, -0.0002087600000000, -0.0000526300000000 ] - [ 0.0002535000000000, -0.0000296900000000, -0.0002964600000000 ] - [ 0.0003031500000000, -0.0000358900000000, -0.0003346800000000 ] - [ -0.0005234500000000, -0.0001869100000000, -0.0002175600000000 ] - [ 0.0000598900000000, 0.0002642100000000, -0.0002419600000000 ] - [ -0.0003386700000000, 0.0003963300000000, -0.0000829800000000 ] - [ -0.0007052400000000, -0.0011918600000000, -0.0004478400000000 ] - [ 0.0001936600000000, 0.0006668700000000, 0.0007002900000000 ] - [ -0.0001504000000000, -0.0011984600000000, 0.0000336700000000 ] - [ 0.0003393800000000, -0.0018570200000000, 0.0005020900000000 ] - [ -0.0002943000000000, 0.0000351400000000, 0.0003054300000000 ] - [ 0.0011969400000000, -0.0015690700000000, -0.0020268400000000 ] - [ -0.0004074300000000, -0.0012706900000000, -0.0002934100000000 ] - [ -0.0029815300000000, -0.0024151700000000, -0.0009689700000000 ] - [ -0.0000350700000000, 0.0009846600000000, 0.0003562000000000 ] - [ 0.0002808100000000, 0.0001330600000000, -0.0003367200000000 ] - [ 0.0005236800000000, -0.0001378300000000, -0.0006046100000000 ] - [ 0.0007428500000000, 0.0003412000000000, 0.0002484100000000 ] - [ -0.0001121100000000, -0.0001542800000000, 0.0002185400000000 ] - [ -0.0009044300000000, -0.0004709900000000, -0.0004191100000000 ] - [ 0.0163155800000000, 0.0124424900000000, -0.0215629000000000 ] - [ -0.0002506200000000, -0.0008969200000000, -0.0002168900000000 ] - [ 0.0001874600000000, -0.0031518200000000, 0.0013324000000000 ] - [ -0.0284718400000000, 0.0417097600000000, 0.0067708100000000 ] - [ -0.0004526300000000, -0.0028081500000000, -0.0001484200000000 ] - [ 0.0000269700000000, 0.0015948500000000, -0.0003565500000000 ] - [ 0.0003578300000000, -0.0011137700000000, -0.0003748000000000 ] - [ 0.0004603600000000, -0.0010913700000000, -0.0000026700000000 ] - [ 0.0006094100000000, -0.0008898300000000, 0.0008417700000000 ] - [ -0.0013164400000000, 0.0001285100000000, 0.0006818200000000 ] - [ 0.0002251600000000, 0.0004872600000000, -0.0010791100000000 ] - [ -0.0004366400000000, 0.0000931300000000, 0.0005638200000000 ] - [ -0.0002827200000000, -0.0004542400000000, -0.0002118800000000 ] - [ -0.0009476600000000, 0.0024119900000000, -0.0021364700000000 ] - [ 0.0005671700000000, -0.0006312600000000, 0.0004664600000000 ] - [ 0.0013379400000000, -0.0010707900000000, 0.0010326100000000 ] - [ 0.0016065000000000, 0.0005054200000000, -0.0038236200000000 ] - [ -0.0000114100000000, 0.0009082000000000, -0.0001616000000000 ] - [ 0.0001402500000000, -0.0001668100000000, -0.0002991700000000 ] - [ 0.0004238600000000, -0.0008545400000000, 0.0002745400000000 ] - [ -0.0001608300000000, -0.0004122400000000, 0.0000402600000000 ] - [ 0.0004964000000000, 0.0002763100000000, -0.0002376000000000 ] - [ 0.0003870900000000, -0.0000539300000000, 0.0002659000000000 ] - [ -0.0008042600000000, -0.0000566900000000, -0.0000823000000000 ] - [ -0.0007577700000000, -0.0002275400000000, 0.0001998500000000 ] - [ 0.0000314700000000, 0.0000766600000000, 0.0007897000000000 ] - [ -0.0001731100000000, 0.0000492200000000, -0.0005345300000000 ] - [ -0.0004880000000000, 0.0001957600000000, -0.0003694000000000 ] - [ 0.0000179300000000, -0.0011087000000000, -0.0000678000000000 ] - [ 0.0000642500000000, -0.0002465800000000, -0.0000529200000000 ] - [ 0.0001058200000000, 0.0005392300000000, 0.0001384100000000 ] - [ 0.0002422600000000, 0.0000781800000000, 0.0004589200000000 ] - [ -0.0000254600000000, 0.0001132500000000, -0.0006477100000000 ] - [ 0.0007144200000000, 0.0000095800000000, -0.0000766800000000 ] - [ 0.0004259700000000, -0.0002954000000000, -0.0002223500000000 ] - [ -0.0007429900000000, 0.0001495100000000, 0.0002499400000000 ] - [ -0.0009019500000000, -0.0001202100000000, -0.0000462300000000 ] - [ 0.0009051200000000, 0.0000408400000000, -0.0013347600000000 ] - [ 0.0008694500000000, 0.0007368500000000, 0.0011883800000000 ] - [ -0.0000554600000000, -0.0006755300000000, 0.0002454100000000 ] - [ -0.0001549600000000, 0.0003312700000000, -0.0001877600000000 ] - [ 0.0007642300000000, -0.0010883700000000, 0.0001256400000000 ] - [ -0.0001824600000000, 0.0005945800000000, -0.0002707300000000 ] - [ 0.0010956400000000, 0.0024741000000000, -0.0044961500000000 ] - [ -0.0011897100000000, 0.0011257300000000, -0.0028255800000000 ] - [ -0.0000670700000000, -0.0009668400000000, 0.0010330200000000 ] - [ -0.0008971300000000, 0.0011240700000000, 0.0022167200000000 ] - [ 0.0004613100000000, 0.0008792800000000, -0.0002055000000000 ] - [ 0.0092220200000000, -0.0614798000000000, 0.0180469800000000 ] - [ 0.0003451400000000, -0.0000265800000000, -0.0001440900000000 ] - [ -0.0000193200000000, 0.0010789600000000, -0.0006931400000000 ] - [ 0.0005493200000000, 0.0015888200000000, -0.0004593200000000 ] - [ -0.0010439400000000, 0.0009515800000000, 0.0000393800000000 ] - [ -0.0002680100000000, 0.0017917000000000, 0.0000666100000000 ] - [ -0.0002579000000000, -0.0006314800000000, -0.0002489400000000 ] - [ -0.0058012600000000, -0.0033711500000000, 0.0078262900000000 ] - [ -0.0000708500000000, -0.0010067900000000, 0.0001127300000000 ] - [ 0.0001080900000000, 0.0001938200000000, -0.0001422300000000 ] - [ 0.0007781300000000, 0.0006117800000000, 0.0003466500000000 ] - [ 0.0007359600000000, 0.0005257100000000, 0.0003928600000000 ] - [ 0.0002379200000000, -0.0008224600000000, 0.0012385200000000 ] - [ 0.0173940400000000, 0.0005147500000000, -0.0058319200000000 ] - [ -0.0105571900000000, -0.0026829700000000, 0.0000796600000000 ] - [ 0.0005657100000000, 0.0016166700000000, 0.0001371800000000 ] - [ -0.0002482500000000, -0.0001126000000000, 0.0001398300000000 ] - [ 0.0003569000000000, 0.0011116200000000, -0.0002901700000000 ] - [ -0.0003191000000000, -0.0008113200000000, 0.0009195500000000 ] - [ -0.0001258700000000, 0.0005648100000000, 0.0005584300000000 ] - [ -0.0002073600000000, -0.0005470700000000, 0.0000446500000000 ] - [ -0.0001498100000000, 0.0007752000000000, -0.0006108500000000 ] - [ -0.0002826000000000, 0.0009201900000000, -0.0005521600000000 ] - [ -0.0002492300000000, 0.0004348100000000, -0.0005314600000000 ] - [ -0.0006409700000000, 0.0001302300000000, -0.0006895900000000 ] - [ 0.0001168300000000, -0.0003064100000000, -0.0004270500000000 ] - [ 0.0014345100000000, 0.0009973600000000, -0.0008758700000000 ] - [ 0.0001901500000000, -0.0001936500000000, 0.0000853800000000 ] - [ -0.0003931400000000, 0.0011840500000000, 0.0002659800000000 ] - [ 0.0008362000000000, -0.0005865000000000, 0.0014535000000000 ] - [ -0.0004919600000000, 0.0011170200000000, 0.0000475700000000 ] - [ 0.0004809500000000, -0.0000386900000000, 0.0003887500000000 ] - [ -0.0003313000000000, 0.0000283900000000, -0.0004699000000000 ] - [ 0.0002013000000000, -0.0001729100000000, 0.0000731200000000 ] - [ -0.0003158100000000, -0.0000330000000000, 0.0002380400000000 ] - [ -0.0006491300000000, 0.0006988500000000, -0.0002924700000000 ] - [ -0.0000702000000000, 0.0002172800000000, -0.0001176100000000 ] - [ 0.0005519900000000, 0.0003307000000000, 0.0000389500000000 ] - [ 0.0001620200000000, 0.0000810000000000, 0.0004844600000000 ] - [ 0.0002398000000000, -0.0000728300000000, 0.0003578600000000 ] - [ 0.0000660800000000, 0.0006437000000000, 0.0005614600000000 ] - [ 0.0001508700000000, 0.0002383100000000, 0.0004290700000000 ] - [ -0.0006565000000000, -0.0002023500000000, -0.0001107100000000 ] - [ -0.0000420500000000, -0.0000459500000000, 0.0003410700000000 ] - [ 0.0000148500000000, -0.0007708000000000, 0.0002462500000000 ] - [ 0.0001923200000000, -0.0008639600000000, -0.0004330500000000 ] - [ -0.0000944200000000, -0.0000727300000000, 0.0003619800000000 ] - [ 0.0001572100000000, 0.0005949500000000, 0.0002180900000000 ] - [ 0.0004061000000000, 0.0003913800000000, -0.0001946300000000 ] - [ 0.0007529400000000, 0.0001356500000000, -0.0006382000000000 ] - [ -0.0003541100000000, 0.0000372600000000, -0.0009619600000000 ] - [ -0.0003451300000000, 0.0000118500000000, -0.0002522500000000 ] - [ -0.0002062400000000, -0.0004889200000000, 0.0002038500000000 ] - [ 0.0005349700000000, 0.0003055700000000, -0.0000364300000000 ] - [ -0.0003508300000000, 0.0010244900000000, -0.0004443000000000 ] - [ 0.0000994400000000, 0.0001205100000000, 0.0001392300000000 ] - [ -0.0003402500000000, -0.0010771200000000, 0.0005238700000000 ] - [ -0.0001777300000000, 0.0000499300000000, -0.0005425200000000 ] - [ 0.0040027100000000, -0.0006591700000000, 0.0008005200000000 ] - [ -0.0026813200000000, -0.0004279200000000, 0.0004579300000000 ] - [ -0.0008340700000000, 0.0001158000000000, 0.0010417100000000 ] - [ -0.0003087300000000, 0.0003279400000000, 0.0005820200000000 ] - [ -0.0019314800000000, 0.0000104500000000, 0.0025439200000000 ] - [ 0.0002468500000000, 0.0007070200000000, 0.0007492500000000 ] - [ 0.0006293000000000, 0.0000862900000000, 0.0001148700000000 ] - [ 0.0004341100000000, 0.0009633500000000, 0.0000356300000000 ] - [ -0.0005640900000000, 0.0002900300000000, -0.0002170600000000 ] - [ 0.0005668100000000, 0.0009805400000000, -0.0016494300000000 ] - [ -0.0006726400000000, -0.0000428800000000, 0.0001946100000000 ]- atom: 84 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009921800000000, -0.0031601100000000, 0.0003642900000000 ] - [ -0.0003024100000000, 0.0004212500000000, -0.0005303600000000 ] - [ -0.0003951800000000, -0.0071290900000000, 0.0008172500000000 ] - [ 0.0003843800000000, 0.0004650200000000, -0.0000099300000000 ] - [ -0.0003837100000000, 0.0001577100000000, -0.0010897100000000 ] - [ 0.0004957100000000, -0.0008814400000000, -0.0008524200000000 ] - [ 0.0000168300000000, 0.0002825600000000, 0.0007609500000000 ] - [ -0.0000605800000000, -0.0000537100000000, 0.0002681700000000 ] - [ -0.0010091800000000, 0.0009544700000000, 0.0002381400000000 ] - [ 0.0000636700000000, 0.0001601000000000, 0.0003846600000000 ] - [ -0.0006263600000000, -0.0009469700000000, -0.0005923600000000 ] - [ -0.0002405400000000, 0.0006188600000000, -0.0000552800000000 ] - [ 0.0000676900000000, 0.0001579400000000, 0.0001358200000000 ] - [ -0.0002239000000000, 0.0003147300000000, 0.0004859800000000 ] - [ -0.0001354100000000, 0.0003003900000000, -0.0004358200000000 ] - [ 0.0002166800000000, -0.0003890400000000, -0.0000355100000000 ] - [ -0.0001607700000000, -0.0009700400000000, -0.0003035900000000 ] - [ 0.0005269900000000, -0.0001144100000000, -0.0001374200000000 ] - [ -0.0003026900000000, 0.0003395100000000, -0.0002558800000000 ] - [ -0.0001491600000000, 0.0007366500000000, -0.0003572600000000 ] - [ -0.0006606500000000, 0.0002027600000000, -0.0000059000000000 ] - [ 0.0008651000000000, 0.0007282200000000, -0.0003810800000000 ] - [ 0.0004035900000000, -0.0005755300000000, 0.0002987000000000 ] - [ -0.0003203900000000, 0.0003703300000000, 0.0001188700000000 ] - [ 0.0000851600000000, 0.0007498200000000, 0.0001396600000000 ] - [ 0.0009298400000000, -0.0004566900000000, 0.0007966400000000 ] - [ -0.0000894800000000, 0.0021826000000000, 0.0015794900000000 ] - [ -0.0007030000000000, 0.0006322300000000, -0.0001331800000000 ] - [ 0.0023555200000000, 0.0028568800000000, 0.0020837900000000 ] - [ -0.0003879000000000, 0.0001214800000000, 0.0002833700000000 ] - [ 0.0001471200000000, 0.0009745200000000, -0.0003047200000000 ] - [ 0.0001185400000000, 0.0005615200000000, -0.0005011700000000 ] - [ 0.0003661700000000, -0.0009808500000000, 0.0001789100000000 ] - [ -0.0009903100000000, 0.0007925600000000, 0.0002070600000000 ] - [ 0.0002651400000000, 0.0000446300000000, -0.0006884700000000 ] - [ -0.0169335000000000, -0.0131648200000000, 0.0210616800000000 ] - [ -0.0004278100000000, 0.0015606900000000, 0.0008965400000000 ] - [ 0.0003603400000000, 0.0037009600000000, -0.0007962100000000 ] - [ 0.0269310300000000, -0.0403306500000000, -0.0074875700000000 ] - [ -0.0000568700000000, 0.0023110300000000, 0.0006485200000000 ] - [ 0.0004660900000000, -0.0010883600000000, 0.0008450200000000 ] - [ 0.0005494900000000, 0.0002023300000000, -0.0005398400000000 ] - [ -0.0009988500000000, 0.0005406200000000, 0.0005494300000000 ] - [ 0.0000598300000000, 0.0002174500000000, -0.0001703200000000 ] - [ 0.0006545700000000, -0.0007964900000000, -0.0013513000000000 ] - [ 0.0003258100000000, -0.0010303100000000, 0.0005385800000000 ] - [ -0.0004716700000000, -0.0010031800000000, 0.0003467100000000 ] - [ -0.0002142700000000, 0.0009522100000000, -0.0002894800000000 ] - [ 0.0014632100000000, -0.0029087100000000, 0.0016402300000000 ] - [ 0.0003480600000000, 0.0015421500000000, 0.0004479500000000 ] - [ -0.0018864000000000, 0.0016207200000000, -0.0015813200000000 ] - [ -0.0009332300000000, 0.0001605800000000, 0.0031354800000000 ] - [ 0.0002030300000000, 0.0005459300000000, 0.0002053300000000 ] - [ 0.0001467000000000, -0.0007469400000000, -0.0001681000000000 ] - [ 0.0000414500000000, 0.0005675500000000, -0.0011939200000000 ] - [ 0.0001164200000000, 0.0002198000000000, 0.0014195000000000 ] - [ 0.0009545000000000, -0.0002298600000000, 0.0004286900000000 ] - [ 0.0005251500000000, 0.0005215200000000, 0.0000251200000000 ] - [ -0.0001112800000000, -0.0004094100000000, 0.0003685500000000 ] - [ -0.0006972100000000, 0.0001842600000000, -0.0000073000000000 ] - [ 0.0000132900000000, 0.0001159600000000, 0.0006646400000000 ] - [ -0.0002920300000000, 0.0002364100000000, -0.0003821400000000 ] - [ 0.0001991700000000, 0.0007192700000000, -0.0000967800000000 ] - [ -0.0002107200000000, -0.0003463400000000, 0.0001123700000000 ] - [ 0.0001297000000000, -0.0012049700000000, 0.0000079500000000 ] - [ 0.0001855500000000, 0.0003736000000000, 0.0003283400000000 ] - [ 0.0002244800000000, 0.0002107200000000, 0.0004554100000000 ] - [ -0.0000188100000000, 0.0000794400000000, -0.0008078200000000 ] - [ 0.0007421100000000, -0.0000537600000000, -0.0001151500000000 ] - [ 0.0004892600000000, -0.0001705400000000, -0.0000661000000000 ] - [ -0.0001706800000000, 0.0003168200000000, -0.0005391400000000 ] - [ -0.0005521200000000, 0.0001654000000000, -0.0001465200000000 ] - [ -0.0008565900000000, -0.0002359400000000, -0.0001211800000000 ] - [ -0.0013324100000000, -0.0010249700000000, -0.0002696500000000 ] - [ -0.0002318300000000, -0.0002395300000000, 0.0002200300000000 ] - [ -0.0000379800000000, 0.0011219200000000, 0.0001420200000000 ] - [ 0.0005242800000000, -0.0001531800000000, -0.0002997700000000 ] - [ -0.0000422100000000, -0.0000005700000000, 0.0013532600000000 ] - [ -0.0005097700000000, -0.0035561300000000, 0.0047293400000000 ] - [ 0.0009070400000000, -0.0008440900000000, 0.0025333900000000 ] - [ -0.0006931500000000, 0.0001749300000000, -0.0008077700000000 ] - [ 0.0009586700000000, -0.0010511900000000, -0.0022678900000000 ] - [ 0.0003295700000000, -0.0010985300000000, -0.0005641100000000 ] - [ -0.0079703200000000, 0.0592408100000000, -0.0192937500000000 ] - [ -0.0001138500000000, -0.0007275000000000, -0.0006445500000000 ] - [ 0.0002005400000000, -0.0023791500000000, -0.0005487600000000 ] - [ -0.0001651700000000, -0.0015572200000000, -0.0002908600000000 ] - [ -0.0000323100000000, -0.0007349600000000, 0.0005520500000000 ] - [ 0.0003055100000000, -0.0010451900000000, -0.0004392900000000 ] - [ -0.0001178400000000, 0.0002521900000000, -0.0001267800000000 ] - [ 0.0062979400000000, 0.0044948700000000, -0.0072591900000000 ] - [ -0.0006725900000000, 0.0006228700000000, -0.0001377900000000 ] - [ 0.0002006100000000, -0.0004995800000000, -0.0001646000000000 ] - [ 0.0002763200000000, -0.0000558000000000, 0.0001487000000000 ] - [ 0.0005087800000000, -0.0003499000000000, 0.0008929200000000 ] - [ -0.0014756200000000, 0.0006441700000000, 0.0000510500000000 ] - [ -0.0183008600000000, -0.0010383800000000, 0.0062674100000000 ] - [ 0.0103176300000000, 0.0030343200000000, -0.0003823100000000 ] - [ 0.0001880300000000, -0.0012439700000000, -0.0001684000000000 ] - [ -0.0002506000000000, -0.0009326800000000, 0.0004130100000000 ] - [ 0.0000273200000000, -0.0007298800000000, -0.0000912600000000 ] - [ 0.0002877900000000, 0.0000609000000000, -0.0012831300000000 ] - [ 0.0012015700000000, -0.0007783000000000, 0.0000352000000000 ] - [ -0.0001609100000000, 0.0005031600000000, -0.0007946100000000 ] - [ -0.0000274700000000, 0.0005155600000000, -0.0006303600000000 ] - [ 0.0000598200000000, -0.0001540000000000, -0.0002326500000000 ] - [ -0.0002964100000000, 0.0000688800000000, -0.0005046600000000 ] - [ -0.0001377700000000, 0.0001030500000000, -0.0000692900000000 ] - [ -0.0001829500000000, 0.0002414100000000, 0.0003625400000000 ] - [ -0.0006742200000000, -0.0002105500000000, 0.0010983300000000 ] - [ 0.0000933300000000, -0.0000916200000000, -0.0003700900000000 ] - [ -0.0001928100000000, -0.0001042600000000, -0.0000567300000000 ] - [ -0.0006161700000000, -0.0000079200000000, -0.0003715700000000 ] - [ -0.0007963200000000, 0.0001263100000000, -0.0002233500000000 ] - [ 0.0008028200000000, 0.0012800900000000, -0.0002123000000000 ] - [ 0.0000997400000000, -0.0006222400000000, -0.0006173400000000 ] - [ 0.0003792900000000, 0.0012497800000000, -0.0002793600000000 ] - [ 0.0000293500000000, -0.0002504300000000, 0.0000461000000000 ] - [ -0.0001199100000000, 0.0000944600000000, 0.0000742100000000 ] - [ 0.0001346500000000, -0.0002808600000000, 0.0001826000000000 ] - [ 0.0002248600000000, -0.0001029700000000, 0.0007220600000000 ] - [ 0.0003822400000000, 0.0004250700000000, 0.0005495300000000 ] - [ -0.0000237600000000, 0.0008369100000000, 0.0004298700000000 ] - [ 0.0001095000000000, 0.0006496700000000, 0.0006832700000000 ] - [ 0.0002174900000000, -0.0002756200000000, 0.0003242300000000 ] - [ -0.0004313600000000, -0.0000210400000000, -0.0004814500000000 ] - [ 0.0000703400000000, -0.0007019400000000, 0.0000382200000000 ] - [ -0.0003985600000000, 0.0011508500000000, 0.0001325500000000 ] - [ 0.0003028100000000, -0.0001867600000000, -0.0001230500000000 ] - [ -0.0006568800000000, 0.0004535900000000, -0.0003373500000000 ] - [ 0.0001487800000000, -0.0002873300000000, 0.0000882000000000 ] - [ 0.0006440800000000, -0.0009472500000000, -0.0003011300000000 ] - [ 0.0004889200000000, -0.0003124200000000, -0.0006527200000000 ] - [ -0.0008900200000000, 0.0001375300000000, -0.0003268200000000 ] - [ -0.0007008800000000, 0.0005408200000000, -0.0002485800000000 ] - [ -0.0001024700000000, 0.0001806700000000, 0.0001055600000000 ] - [ 0.0002131200000000, -0.0006800700000000, 0.0000706200000000 ] - [ -0.0001503100000000, 0.0000240500000000, -0.0001114900000000 ] - [ 0.0002800100000000, -0.0005015500000000, 0.0002424400000000 ] - [ 0.0003057100000000, 0.0018230900000000, -0.0001486800000000 ] - [ 0.0012602600000000, 0.0001716600000000, -0.0000502600000000 ] - [ -0.0043918900000000, 0.0006920800000000, -0.0000487100000000 ] - [ 0.0024952200000000, -0.0008586500000000, 0.0007833900000000 ] - [ 0.0006073100000000, -0.0008752000000000, -0.0002504900000000 ] - [ -0.0002494400000000, -0.0008252000000000, 0.0004684800000000 ] - [ 0.0011389700000000, -0.0002363700000000, -0.0017612200000000 ] - [ -0.0003126200000000, -0.0006418400000000, -0.0006910200000000 ] - [ 0.0001332600000000, -0.0008701200000000, -0.0003418600000000 ] - [ -0.0001512300000000, -0.0006808600000000, 0.0002508100000000 ] - [ -0.0000298800000000, -0.0013737100000000, -0.0000091300000000 ] - [ -0.0003506200000000, -0.0003912400000000, 0.0005737100000000 ] - [ -0.0006179900000000, -0.0011969500000000, -0.0000165000000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0029824500000000, -0.0008454200000000, -0.0008061300000000 ] - [ -0.0003371700000000, 0.0001267500000000, -0.0009336300000000 ] - [ -0.0008595500000000, -0.0011765500000000, 0.0037529300000000 ] - [ 0.0002091600000000, 0.0001955400000000, -0.0007559900000000 ] - [ -0.0019634100000000, 0.0015987200000000, -0.0009747700000000 ] - [ 0.0009223400000000, 0.0015904200000000, -0.0011818300000000 ] - [ -0.0010157300000000, -0.0005996000000000, 0.0002425400000000 ] - [ -0.0000786100000000, -0.0006784400000000, 0.0001939800000000 ] - [ -0.0003233800000000, -0.0004409800000000, 0.0008236900000000 ] - [ 0.0000537300000000, 0.0002936300000000, 0.0000950700000000 ] - [ 0.0005562700000000, -0.0003131000000000, -0.0001655200000000 ] - [ -0.0001905500000000, 0.0004285600000000, -0.0001051500000000 ] - [ 0.0008160900000000, 0.0004202300000000, -0.0002061300000000 ] - [ -0.0001302600000000, 0.0000727700000000, 0.0007049500000000 ] - [ 0.0000750600000000, 0.0002182900000000, -0.0006529400000000 ] - [ 0.0008879700000000, -0.0003906200000000, 0.0002673200000000 ] - [ 0.0010680900000000, -0.0004070600000000, -0.0006159900000000 ] - [ 0.0002896600000000, -0.0000346200000000, -0.0002001400000000 ] - [ -0.0000601200000000, 0.0002824500000000, -0.0002856100000000 ] - [ -0.0000948200000000, 0.0006057600000000, -0.0002498400000000 ] - [ -0.0004377100000000, 0.0002943600000000, -0.0006794800000000 ] - [ -0.0000728200000000, 0.0000859100000000, 0.0005200300000000 ] - [ 0.0002996700000000, -0.0001245000000000, -0.0009905000000000 ] - [ -0.0002771900000000, -0.0005494300000000, 0.0003880200000000 ] - [ -0.0000979500000000, -0.0004404000000000, 0.0010121200000000 ] - [ -0.0000458500000000, -0.0003643900000000, -0.0013787000000000 ] - [ 0.0021103400000000, -0.0054679500000000, -0.0054923400000000 ] - [ -0.0011883200000000, 0.0004798500000000, 0.0002551100000000 ] - [ 0.0017708400000000, 0.0029125100000000, 0.0026302400000000 ] - [ -0.0001463000000000, 0.0004987900000000, -0.0000623800000000 ] - [ 0.0003151600000000, 0.0006093900000000, -0.0008928000000000 ] - [ 0.0008579400000000, 0.0005400600000000, -0.0000992600000000 ] - [ 0.0004356400000000, -0.0007164400000000, 0.0002838600000000 ] - [ 0.0004258800000000, -0.0002252800000000, 0.0003709700000000 ] - [ 0.0003002200000000, 0.0001724200000000, -0.0018721400000000 ] - [ -0.0341520400000000, -0.0219748600000000, 0.0441748200000000 ] - [ -0.0017194200000000, -0.0017789800000000, 0.0000724000000000 ] - [ -0.0003404800000000, 0.0076085100000000, -0.0016908400000000 ] - [ -0.0545477700000000, 0.0076659800000000, 0.0547321000000000 ] - [ -0.0009262800000000, 0.0004181000000000, 0.0011768800000000 ] - [ -0.0006782700000000, 0.0011521700000000, -0.0032925400000000 ] - [ 0.0002005900000000, -0.0006204700000000, -0.0012574600000000 ] - [ 0.0018455300000000, -0.0008838100000000, 0.0007010100000000 ] - [ 0.0003923400000000, -0.0002733100000000, 0.0001995000000000 ] - [ 0.0009294100000000, -0.0003367100000000, -0.0008928600000000 ] - [ 0.0010146800000000, -0.0002687600000000, 0.0008796400000000 ] - [ 0.0000608000000000, -0.0003918400000000, -0.0005024700000000 ] - [ 0.0001123600000000, 0.0003066100000000, -0.0011159000000000 ] - [ 0.0021249100000000, -0.0022426400000000, 0.0039322100000000 ] - [ 0.0004808600000000, 0.0004933000000000, 0.0014068800000000 ] - [ -0.0024278800000000, 0.0020866800000000, -0.0022799200000000 ] - [ -0.0011721500000000, -0.0043576100000000, -0.0051513600000000 ] - [ -0.0001000300000000, 0.0006887500000000, -0.0005150900000000 ] - [ 0.0002672400000000, -0.0002629800000000, -0.0008590500000000 ] - [ 0.0001990100000000, -0.0001063500000000, -0.0001626400000000 ] - [ -0.0000120900000000, -0.0003063500000000, 0.0011579300000000 ] - [ 0.0005022500000000, -0.0003533800000000, -0.0008921600000000 ] - [ 0.0003432600000000, 0.0005485100000000, 0.0003849500000000 ] - [ -0.0013195100000000, 0.0002959600000000, -0.0006769100000000 ] - [ -0.0007206900000000, 0.0001573200000000, 0.0000396800000000 ] - [ 0.0000171800000000, 0.0001751400000000, 0.0003899200000000 ] - [ -0.0000509300000000, -0.0003680500000000, -0.0008696200000000 ] - [ 0.0000211800000000, 0.0005714400000000, -0.0001130900000000 ] - [ -0.0001477800000000, -0.0005628100000000, 0.0001102300000000 ] - [ 0.0002492800000000, -0.0007457000000000, -0.0000004200000000 ] - [ 0.0005628800000000, 0.0001121500000000, 0.0004363700000000 ] - [ 0.0003130900000000, 0.0002507600000000, 0.0003195900000000 ] - [ 0.0000457800000000, 0.0000305600000000, -0.0010183500000000 ] - [ 0.0011620800000000, 0.0000566500000000, 0.0000404100000000 ] - [ 0.0004465600000000, -0.0002625100000000, -0.0002910000000000 ] - [ 0.0000359600000000, 0.0004554000000000, -0.0004353300000000 ] - [ -0.0008480100000000, -0.0000117500000000, -0.0001061800000000 ] - [ 0.0008544600000000, -0.0009573200000000, 0.0008812800000000 ] - [ -0.0004650500000000, 0.0002480000000000, 0.0011216300000000 ] - [ 0.0000967800000000, -0.0004689200000000, 0.0000862800000000 ] - [ -0.0002803400000000, 0.0002445200000000, -0.0002717800000000 ] - [ 0.0009133400000000, -0.0006508400000000, 0.0012593500000000 ] - [ -0.0000359300000000, -0.0000663100000000, 0.0022655000000000 ] - [ -0.0013425700000000, -0.0098929700000000, 0.0076397000000000 ] - [ 0.0016538500000000, -0.0026519400000000, 0.0022886900000000 ] - [ 0.0003846000000000, 0.0001695300000000, 0.0022518300000000 ] - [ 0.0002379100000000, 0.0018543100000000, 0.0005888700000000 ] - [ 0.0005167600000000, 0.0003607700000000, -0.0007458400000000 ] - [ 0.1248291200000000, 0.0191099800000000, -0.1197434900000000 ] - [ 0.0015498800000000, 0.0012025400000000, 0.0005964000000000 ] - [ 0.0002536400000000, -0.0005131500000000, -0.0017475200000000 ] - [ 0.0003479500000000, -0.0002889200000000, -0.0009622700000000 ] - [ 0.0010500600000000, -0.0014859900000000, 0.0006642200000000 ] - [ 0.0004190800000000, 0.0000179100000000, -0.0010098200000000 ] - [ 0.0005445900000000, -0.0000404800000000, 0.0013142600000000 ] - [ -0.0174409100000000, 0.0122348900000000, 0.0185536800000000 ] - [ -0.0002242800000000, -0.0005607100000000, 0.0014029100000000 ] - [ 0.0001797500000000, -0.0000450100000000, 0.0002777400000000 ] - [ 0.0007076800000000, 0.0004949500000000, 0.0007468300000000 ] - [ 0.0006372400000000, -0.0003968400000000, 0.0006615400000000 ] - [ 0.0014185900000000, 0.0001358300000000, 0.0023376900000000 ] - [ -0.0123290100000000, -0.0084673100000000, -0.0036365600000000 ] - [ 0.0043592300000000, -0.0005874300000000, -0.0082258700000000 ] - [ 0.0006865000000000, -0.0006805300000000, -0.0007666700000000 ] - [ -0.0000657700000000, -0.0007481300000000, 0.0006510300000000 ] - [ 0.0003127300000000, 0.0001273800000000, -0.0005472900000000 ] - [ -0.0005695900000000, -0.0008739000000000, 0.0034660300000000 ] - [ -0.0013768100000000, 0.0016215200000000, 0.0004034400000000 ] - [ -0.0001443800000000, -0.0005625300000000, 0.0011518300000000 ] - [ -0.0001527000000000, 0.0009528300000000, -0.0000017100000000 ] - [ 0.0000894900000000, 0.0002479200000000, -0.0005562100000000 ] - [ -0.0000179700000000, 0.0002661200000000, -0.0001487000000000 ] - [ -0.0002806600000000, 0.0000781500000000, -0.0001325700000000 ] - [ -0.0005718700000000, -0.0002870400000000, 0.0002943000000000 ] - [ -0.0006113500000000, -0.0002218000000000, 0.0007723400000000 ] - [ 0.0001685000000000, -0.0000970900000000, -0.0003038300000000 ] - [ -0.0007196200000000, 0.0010473500000000, 0.0003101200000000 ] - [ -0.0009374100000000, -0.0003534200000000, -0.0008768200000000 ] - [ -0.0007502700000000, 0.0004360400000000, -0.0002687100000000 ] - [ -0.0000123400000000, 0.0009818200000000, -0.0002464500000000 ] - [ -0.0007292800000000, -0.0002820800000000, -0.0012792900000000 ] - [ 0.0000994700000000, 0.0006942700000000, -0.0002329900000000 ] - [ -0.0007187200000000, -0.0001291800000000, 0.0002439900000000 ] - [ -0.0006491700000000, 0.0002591400000000, -0.0002788100000000 ] - [ -0.0000663500000000, -0.0000934500000000, 0.0001274000000000 ] - [ 0.0000333500000000, -0.0001268100000000, 0.0008354600000000 ] - [ 0.0000407300000000, 0.0002175800000000, 0.0007962800000000 ] - [ -0.0003304400000000, 0.0005208600000000, 0.0002742600000000 ] - [ -0.0000502900000000, 0.0006199500000000, 0.0009913300000000 ] - [ -0.0001125400000000, 0.0000106300000000, 0.0008116100000000 ] - [ -0.0015250900000000, -0.0001690600000000, -0.0005403100000000 ] - [ -0.0002020800000000, -0.0002759300000000, 0.0005763200000000 ] - [ -0.0009404600000000, 0.0005923200000000, -0.0005956100000000 ] - [ 0.0001243100000000, -0.0003344500000000, 0.0002484000000000 ] - [ -0.0013722400000000, 0.0000762000000000, -0.0011031700000000 ] - [ -0.0000436300000000, 0.0000581600000000, -0.0002167800000000 ] - [ 0.0003344600000000, -0.0004330200000000, -0.0005801400000000 ] - [ 0.0007207300000000, -0.0000436300000000, -0.0005772100000000 ] - [ -0.0013775400000000, -0.0001136300000000, -0.0004537500000000 ] - [ -0.0007480400000000, 0.0003231700000000, 0.0001705800000000 ] - [ -0.0005470600000000, -0.0003231900000000, 0.0008924800000000 ] - [ -0.0000306000000000, -0.0004448400000000, 0.0004524500000000 ] - [ -0.0004946200000000, 0.0007107600000000, -0.0008239200000000 ] - [ 0.0001663100000000, -0.0002527700000000, 0.0006311300000000 ] - [ 0.0010948200000000, 0.0008061400000000, -0.0013016800000000 ] - [ 0.0013990200000000, 0.0000421400000000, 0.0000440200000000 ] - [ -0.0052688000000000, -0.0012571000000000, -0.0017352800000000 ] - [ -0.0003948200000000, -0.0002959800000000, -0.0010962300000000 ] - [ -0.0009707600000000, 0.0013071700000000, 0.0016936000000000 ] - [ 0.0000163200000000, -0.0003001100000000, -0.0000468100000000 ] - [ -0.0049286500000000, 0.0054753900000000, 0.0053987500000000 ] - [ 0.0007076100000000, 0.0010166400000000, 0.0001589500000000 ] - [ 0.0010489300000000, -0.0000127100000000, 0.0009333600000000 ] - [ -0.0002629900000000, -0.0014660600000000, -0.0000938100000000 ] - [ 0.0001626600000000, -0.0014351000000000, -0.0000029000000000 ] - [ -0.0007092800000000, -0.0011846900000000, 0.0024319900000000 ] - [ -0.0006139900000000, -0.0003071900000000, 0.0004800300000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0033983100000000, -0.0000247700000000, 0.0004950000000000 ] - [ -0.0002591100000000, -0.0000356700000000, -0.0000682700000000 ] - [ 0.0006963700000000, 0.0006819100000000, -0.0028991900000000 ] - [ 0.0007902400000000, 0.0004026700000000, 0.0008444700000000 ] - [ 0.0020367700000000, -0.0005870600000000, 0.0015773000000000 ] - [ -0.0001002000000000, -0.0014455400000000, 0.0016444800000000 ] - [ 0.0001828600000000, 0.0004439000000000, 0.0002307400000000 ] - [ -0.0000131400000000, -0.0003206200000000, 0.0004021900000000 ] - [ -0.0006778600000000, -0.0001697500000000, -0.0007411800000000 ] - [ 0.0000970000000000, 0.0001753800000000, 0.0007337200000000 ] - [ 0.0000576200000000, 0.0002269700000000, -0.0008313800000000 ] - [ -0.0002785700000000, 0.0003997000000000, -0.0000475100000000 ] - [ -0.0003492300000000, 0.0004072000000000, 0.0003568600000000 ] - [ -0.0004648400000000, -0.0001635300000000, 0.0002943700000000 ] - [ -0.0002274200000000, 0.0002516600000000, -0.0001773400000000 ] - [ 0.0001151600000000, -0.0002050500000000, -0.0003572000000000 ] - [ -0.0009742400000000, -0.0005925700000000, 0.0000187300000000 ] - [ 0.0005415400000000, -0.0001166600000000, -0.0002725900000000 ] - [ -0.0007674000000000, -0.0001296700000000, -0.0001865000000000 ] - [ 0.0000045800000000, 0.0003951800000000, -0.0003490700000000 ] - [ -0.0005611500000000, 0.0003022600000000, 0.0005894400000000 ] - [ 0.0002247200000000, -0.0005562900000000, -0.0013504000000000 ] - [ 0.0002989700000000, 0.0002160400000000, 0.0019899800000000 ] - [ -0.0001935800000000, -0.0002803700000000, -0.0002335400000000 ] - [ 0.0005179500000000, -0.0006659500000000, -0.0003773800000000 ] - [ 0.0006819900000000, -0.0000623700000000, 0.0024811800000000 ] - [ -0.0010068200000000, 0.0061248200000000, 0.0050759000000000 ] - [ 0.0000771300000000, -0.0011152900000000, -0.0006745000000000 ] - [ -0.0023866100000000, -0.0024621700000000, -0.0015089300000000 ] - [ -0.0002801600000000, 0.0006087500000000, 0.0007058600000000 ] - [ 0.0001093600000000, 0.0004993300000000, 0.0002514300000000 ] - [ -0.0002172700000000, -0.0001183000000000, -0.0010083700000000 ] - [ 0.0006740800000000, 0.0000777500000000, 0.0001379000000000 ] - [ -0.0015279500000000, 0.0008622100000000, 0.0000556300000000 ] - [ -0.0009350700000000, -0.0005950500000000, 0.0007636700000000 ] - [ 0.0317166300000000, 0.0198977800000000, -0.0434435700000000 ] - [ 0.0010538100000000, 0.0024532900000000, 0.0005910500000000 ] - [ 0.0008867400000000, -0.0070453200000000, 0.0022401100000000 ] - [ 0.0543643200000000, -0.0068766000000000, -0.0553514900000000 ] - [ 0.0004213400000000, -0.0009137100000000, -0.0006758100000000 ] - [ 0.0011761500000000, -0.0006558900000000, 0.0037924900000000 ] - [ 0.0007070800000000, -0.0002935600000000, 0.0003440400000000 ] - [ -0.0023980500000000, 0.0003385900000000, -0.0001617400000000 ] - [ 0.0002772200000000, -0.0003992000000000, 0.0004788100000000 ] - [ -0.0015880800000000, -0.0003343900000000, 0.0002141800000000 ] - [ -0.0004641600000000, -0.0002747900000000, -0.0014127100000000 ] - [ -0.0009697900000000, -0.0005203800000000, 0.0014128800000000 ] - [ -0.0006099800000000, 0.0001932400000000, 0.0006147800000000 ] - [ -0.0016218700000000, 0.0017440000000000, -0.0044330800000000 ] - [ 0.0004336400000000, 0.0004188600000000, -0.0004907000000000 ] - [ 0.0018838200000000, -0.0015392900000000, 0.0017279200000000 ] - [ 0.0018532900000000, 0.0050113600000000, 0.0044712500000000 ] - [ 0.0002935300000000, 0.0007658200000000, 0.0005597300000000 ] - [ 0.0000218900000000, -0.0006513600000000, 0.0003934700000000 ] - [ 0.0002661600000000, -0.0001837500000000, -0.0007487100000000 ] - [ -0.0000327800000000, 0.0001131600000000, 0.0002911000000000 ] - [ 0.0009493100000000, 0.0003929000000000, 0.0010743000000000 ] - [ 0.0005687100000000, -0.0000809200000000, -0.0000957800000000 ] - [ 0.0004031100000000, -0.0007584900000000, 0.0009649400000000 ] - [ -0.0007338600000000, -0.0001994200000000, 0.0001518000000000 ] - [ 0.0000261100000000, 0.0000172200000000, 0.0010655000000000 ] - [ -0.0004159500000000, 0.0006590900000000, -0.0000435700000000 ] - [ -0.0003091600000000, 0.0003428200000000, -0.0003524600000000 ] - [ -0.0000449800000000, -0.0008911400000000, -0.0000662300000000 ] - [ -0.0000541900000000, -0.0007053700000000, -0.0000448900000000 ] - [ -0.0002702200000000, 0.0007988900000000, 0.0000294400000000 ] - [ 0.0001534300000000, 0.0000392300000000, 0.0005933100000000 ] - [ -0.0000894500000000, 0.0001620000000000, -0.0004371800000000 ] - [ 0.0002940100000000, -0.0001003100000000, -0.0002327800000000 ] - [ 0.0004667600000000, -0.0002036600000000, 0.0000006600000000 ] - [ -0.0009505000000000, 0.0000090400000000, 0.0001471500000000 ] - [ -0.0006035600000000, 0.0000563800000000, -0.0000882300000000 ] - [ -0.0008048900000000, 0.0007593800000000, -0.0023323300000000 ] - [ -0.0000017000000000, -0.0005363700000000, -0.0002062400000000 ] - [ -0.0003859200000000, -0.0004442800000000, 0.0003792200000000 ] - [ 0.0000867400000000, 0.0012071000000000, 0.0002267400000000 ] - [ 0.0003624700000000, -0.0005891800000000, -0.0014380200000000 ] - [ -0.0001845200000000, 0.0006581000000000, -0.0011806600000000 ] - [ 0.0019173600000000, 0.0087240000000000, -0.0073443600000000 ] - [ -0.0019455600000000, 0.0029556300000000, -0.0025868400000000 ] - [ -0.0011536100000000, -0.0009457200000000, -0.0020236700000000 ] - [ -0.0001787900000000, -0.0017832900000000, -0.0006480600000000 ] - [ 0.0002635400000000, -0.0005861500000000, -0.0000196800000000 ] - [ -0.1231450400000000, -0.0182309100000000, 0.1173802900000000 ] - [ -0.0013310600000000, -0.0019781000000000, -0.0013781100000000 ] - [ -0.0000749900000000, -0.0007608500000000, 0.0005080600000000 ] - [ 0.0000315800000000, 0.0003223700000000, 0.0002190900000000 ] - [ -0.0021276100000000, 0.0016998600000000, -0.0000752100000000 ] - [ -0.0003830200000000, 0.0007229500000000, 0.0006280400000000 ] - [ -0.0009214000000000, -0.0003382900000000, -0.0016925200000000 ] - [ 0.0182712400000000, -0.0114128500000000, -0.0183663000000000 ] - [ -0.0005177200000000, 0.0001885500000000, -0.0014402800000000 ] - [ 0.0001343500000000, -0.0002679500000000, -0.0005901900000000 ] - [ 0.0003387100000000, 0.0000661100000000, -0.0002438300000000 ] - [ 0.0006059500000000, 0.0005709300000000, 0.0006188500000000 ] - [ -0.0026411300000000, -0.0003083900000000, -0.0010492800000000 ] - [ 0.0113157700000000, 0.0079345200000000, 0.0042433100000000 ] - [ -0.0047265900000000, 0.0009231900000000, 0.0079126100000000 ] - [ 0.0000646100000000, 0.0010384900000000, 0.0007164400000000 ] - [ -0.0004329900000000, -0.0002996600000000, -0.0000921300000000 ] - [ 0.0000666000000000, 0.0002507100000000, 0.0001678700000000 ] - [ 0.0005396700000000, 0.0001302400000000, -0.0038500800000000 ] - [ 0.0024729100000000, -0.0018504700000000, 0.0001879500000000 ] - [ -0.0002237000000000, 0.0005253500000000, -0.0018968100000000 ] - [ -0.0000216700000000, 0.0003224900000000, -0.0012403900000000 ] - [ -0.0003105200000000, 0.0005250000000000, -0.0002318000000000 ] - [ -0.0005377400000000, 0.0002365300000000, -0.0008935700000000 ] - [ -0.0004987900000000, 0.0001481300000000, -0.0006405100000000 ] - [ 0.0005081800000000, 0.0002260000000000, -0.0003518800000000 ] - [ 0.0013668000000000, 0.0009898600000000, -0.0005287300000000 ] - [ 0.0001213900000000, -0.0001915900000000, 0.0000110300000000 ] - [ 0.0001311300000000, 0.0000378200000000, -0.0000907700000000 ] - [ 0.0011365700000000, -0.0002308900000000, 0.0019475200000000 ] - [ -0.0005279100000000, 0.0008026900000000, 0.0000922900000000 ] - [ 0.0012830400000000, 0.0002589100000000, 0.0004261600000000 ] - [ 0.0005061300000000, -0.0003090200000000, 0.0001938000000000 ] - [ 0.0004883100000000, 0.0003913200000000, 0.0000089100000000 ] - [ 0.0004301800000000, -0.0001612100000000, 0.0000472300000000 ] - [ -0.0001245900000000, 0.0005275800000000, 0.0000515200000000 ] - [ 0.0001268400000000, 0.0000333000000000, -0.0000694900000000 ] - [ 0.0007445000000000, 0.0003503000000000, -0.0000628700000000 ] - [ 0.0005149400000000, 0.0002857900000000, 0.0002444100000000 ] - [ 0.0005484200000000, 0.0002483200000000, 0.0005104800000000 ] - [ 0.0002251100000000, 0.0006556300000000, 0.0002497700000000 ] - [ 0.0004853400000000, -0.0000474800000000, -0.0000666900000000 ] - [ 0.0004318400000000, -0.0000552200000000, -0.0000557700000000 ] - [ 0.0002353800000000, -0.0004667900000000, -0.0002006300000000 ] - [ 0.0005579800000000, -0.0002128300000000, 0.0009735100000000 ] - [ 0.0003758700000000, -0.0007111500000000, -0.0008069900000000 ] - [ 0.0006251100000000, 0.0003005700000000, 0.0011353400000000 ] - [ 0.0003555500000000, 0.0002545100000000, 0.0005284600000000 ] - [ 0.0007098200000000, -0.0001267900000000, 0.0000769900000000 ] - [ 0.0005180800000000, -0.0001333100000000, -0.0006971500000000 ] - [ 0.0001353900000000, 0.0002883800000000, -0.0008248100000000 ] - [ -0.0003013700000000, 0.0002379400000000, -0.0006713600000000 ] - [ 0.0002325400000000, 0.0000100500000000, -0.0005792000000000 ] - [ 0.0007700200000000, 0.0000658300000000, -0.0004181100000000 ] - [ -0.0000091300000000, 0.0003358700000000, 0.0002608700000000 ] - [ 0.0002101300000000, -0.0001252100000000, -0.0002526600000000 ] - [ -0.0011300400000000, -0.0000652400000000, 0.0016823100000000 ] - [ -0.0003150400000000, 0.0001794900000000, -0.0006352800000000 ] - [ 0.0048785100000000, 0.0012769600000000, 0.0024818900000000 ] - [ 0.0002178200000000, -0.0009769000000000, 0.0023309500000000 ] - [ 0.0007424100000000, -0.0020697900000000, -0.0009084100000000 ] - [ -0.0005762900000000, -0.0002040000000000, 0.0010896600000000 ] - [ 0.0040939000000000, -0.0056660600000000, -0.0045978100000000 ] - [ -0.0007693100000000, -0.0009594100000000, -0.0000974100000000 ] - [ -0.0002813000000000, -0.0007722000000000, -0.0011526900000000 ] - [ 0.0005493900000000, 0.0017472500000000, 0.0003791200000000 ] - [ -0.0007539800000000, 0.0003514500000000, -0.0002155900000000 ] - [ 0.0009260500000000, 0.0017683700000000, -0.0035072100000000 ] - [ -0.0006607900000000, -0.0009314100000000, -0.0003038000000000 ]- atom: 87 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004824100000000, -0.0007344000000000, 0.0001243100000000 ] - [ 0.0002614600000000, 0.0004393800000000, -0.0016535300000000 ] - [ 0.0036635400000000, 0.0020775000000000, 0.0001148500000000 ] - [ 0.0008750100000000, 0.0001346400000000, -0.0002832800000000 ] - [ 0.0002901700000000, 0.0003837600000000, 0.0001816700000000 ] - [ 0.0014617900000000, 0.0008188300000000, 0.0004246800000000 ] - [ 0.0009124000000000, 0.0007630700000000, -0.0016908700000000 ] - [ 0.0016320100000000, -0.0015034100000000, 0.0022242500000000 ] - [ -0.0002150100000000, -0.0028625300000000, -0.0003429200000000 ] - [ 0.0000106100000000, 0.0003849900000000, 0.0004160700000000 ] - [ 0.0000228700000000, 0.0001921300000000, -0.0004764000000000 ] - [ -0.0008329800000000, 0.0003078200000000, -0.0007808100000000 ] - [ 0.0000582900000000, 0.0004300100000000, 0.0001813200000000 ] - [ -0.0035583100000000, 0.0003392600000000, 0.0011826100000000 ] - [ -0.0003666400000000, 0.0002192800000000, -0.0004153300000000 ] - [ -0.0006604400000000, -0.0006231400000000, 0.0001638300000000 ] - [ -0.0003166400000000, -0.0005036500000000, -0.0002544100000000 ] - [ -0.0001597400000000, 0.0000566000000000, -0.0003417100000000 ] - [ -0.0007333900000000, 0.0003680900000000, 0.0001748200000000 ] - [ -0.0017166700000000, 0.0004319200000000, -0.0008544200000000 ] - [ -0.0009170000000000, 0.0001703300000000, -0.0004060600000000 ] - [ 0.0004095800000000, 0.0010217600000000, 0.0000939300000000 ] - [ 0.0003799000000000, -0.0000876600000000, 0.0003812500000000 ] - [ 0.0005083400000000, 0.0007597100000000, 0.0028434400000000 ] - [ 0.0288954600000000, -0.0185537200000000, 0.0147300300000000 ] - [ 0.0020698800000000, -0.0001630100000000, 0.0000193300000000 ] - [ 0.0019621400000000, 0.0002359700000000, 0.0004787200000000 ] - [ -0.0006004700000000, -0.0017358100000000, -0.0022737500000000 ] - [ -0.0033520100000000, 0.0059985800000000, 0.0030928500000000 ] - [ -0.0003908800000000, 0.0006000200000000, -0.0001446400000000 ] - [ -0.0008410100000000, 0.0005511700000000, 0.0003932900000000 ] - [ -0.0019951600000000, 0.0008228600000000, -0.0012494000000000 ] - [ -0.0010500100000000, -0.0009832300000000, 0.0005837500000000 ] - [ -0.0017305500000000, -0.0007126400000000, 0.0009045700000000 ] - [ -0.0005827400000000, 0.0001939300000000, -0.0012300900000000 ] - [ 0.0002573500000000, -0.0009485700000000, -0.0003386300000000 ] - [ -0.0017379900000000, 0.0032214200000000, -0.0022403600000000 ] - [ 0.0021599400000000, 0.0000075600000000, 0.0002251300000000 ] - [ 0.0020505300000000, 0.0018565100000000, -0.0004678100000000 ] - [ 0.1398678000000000, 0.0607344800000000, 0.0710791900000000 ] - [ 0.0011262600000000, 0.0001724000000000, 0.0000110200000000 ] - [ 0.0014248500000000, 0.0000759500000000, -0.0012588500000000 ] - [ -0.0015684000000000, -0.0020106200000000, 0.0019232000000000 ] - [ -0.0015142600000000, -0.0018110300000000, -0.0002852900000000 ] - [ -0.0034078600000000, 0.0011036700000000, 0.0012221700000000 ] - [ -0.0025115600000000, 0.0007554500000000, -0.0016761200000000 ] - [ -0.0013143200000000, -0.0005138800000000, 0.0001008900000000 ] - [ -0.0015930800000000, 0.0008205200000000, -0.0005902000000000 ] - [ -0.0007235700000000, -0.0006520300000000, 0.0003161600000000 ] - [ -0.0090447600000000, -0.0012983900000000, 0.0046719800000000 ] - [ -0.0006837700000000, -0.0078103700000000, -0.0051149400000000 ] - [ -0.0000494600000000, -0.0004498600000000, 0.0004784100000000 ] - [ 0.0000275100000000, 0.0009604200000000, -0.0000425400000000 ] - [ 0.0005487400000000, -0.0004613700000000, -0.0004236000000000 ] - [ 0.0015981400000000, -0.0012673600000000, 0.0005368600000000 ] - [ 0.0014124200000000, 0.0007068200000000, 0.0021044000000000 ] - [ 0.0013364000000000, -0.0001186200000000, -0.0000687700000000 ] - [ 0.0101904100000000, 0.0017882400000000, 0.0021241100000000 ] - [ -0.0004531500000000, -0.0001381000000000, 0.0000425100000000 ] - [ -0.0028426200000000, 0.0008135500000000, 0.0005325300000000 ] - [ 0.0000371400000000, 0.0000767300000000, 0.0006183300000000 ] - [ -0.0001462200000000, 0.0000099800000000, -0.0004736300000000 ] - [ -0.0041396500000000, -0.0021559800000000, -0.0014114400000000 ] - [ -0.0000155500000000, -0.0018126600000000, -0.0008385000000000 ] - [ -0.0000477200000000, -0.0006946600000000, 0.0000244300000000 ] - [ -0.0002328800000000, 0.0005457500000000, 0.0001340400000000 ] - [ 0.0000136000000000, -0.0000584400000000, 0.0004733600000000 ] - [ -0.0002746400000000, 0.0002166100000000, -0.0004795000000000 ] - [ 0.0003461600000000, -0.0000311300000000, -0.0001631800000000 ] - [ -0.0000162300000000, -0.0003199400000000, -0.0004045900000000 ] - [ -0.0005407900000000, 0.0002608400000000, 0.0000119300000000 ] - [ -0.0010652400000000, 0.0002300400000000, -0.0002893400000000 ] - [ 0.0000926800000000, -0.0004166300000000, 0.0000677100000000 ] - [ -0.0004742400000000, -0.0007837800000000, 0.0000151100000000 ] - [ -0.0001787900000000, -0.0004050300000000, 0.0002502600000000 ] - [ -0.0000746700000000, 0.0008285000000000, 0.0000281800000000 ] - [ 0.0004579400000000, -0.0006675400000000, 0.0001714000000000 ] - [ -0.0012490200000000, 0.0012780700000000, 0.0030908600000000 ] - [ -0.0001282000000000, -0.0003551800000000, 0.0000394800000000 ] - [ -0.0007199600000000, 0.0028180200000000, 0.0012638900000000 ] - [ -0.0009710800000000, 0.0001463200000000, -0.0001855200000000 ] - [ -0.0006755800000000, 0.0008263100000000, -0.0018159000000000 ] - [ 0.0003679100000000, -0.0066755600000000, 0.0032980100000000 ] - [ -0.0011301500000000, 0.0000985700000000, -0.0003634500000000 ] - [ -0.0011442900000000, -0.0019573900000000, 0.0006493500000000 ] - [ -0.0020907200000000, -0.0001870800000000, -0.0020259500000000 ] - [ -0.2129110000000000, -0.0507124200000000, -0.1052269900000000 ] - [ -0.0018638800000000, 0.0009840600000000, 0.0007167900000000 ] - [ -0.0079631900000000, 0.0026247800000000, 0.0027848700000000 ] - [ -0.0005430700000000, -0.0001717100000000, -0.0000328600000000 ] - [ -0.0005564200000000, 0.0001416200000000, -0.0003404000000000 ] - [ -0.0011841400000000, 0.0000082600000000, 0.0000876500000000 ] - [ -0.0006648400000000, 0.0000708300000000, 0.0000760300000000 ] - [ -0.0003007900000000, -0.0003394300000000, 0.0005156600000000 ] - [ 0.0021899700000000, -0.0035392500000000, -0.0101008100000000 ] - [ -0.0011850900000000, -0.0003344600000000, 0.0009416500000000 ] - [ -0.0020156800000000, -0.0028400900000000, -0.0000778200000000 ] - [ -0.0006708500000000, 0.0000814300000000, -0.0001639200000000 ] - [ 0.0141735700000000, -0.0028319500000000, 0.0129801700000000 ] - [ -0.0005247000000000, -0.0006281400000000, 0.0016798200000000 ] - [ 0.0113920300000000, 0.0142162300000000, 0.0022308500000000 ] - [ -0.0003995300000000, -0.0002319900000000, -0.0003069700000000 ] - [ 0.0002700600000000, 0.0010733300000000, -0.0006862400000000 ] - [ -0.0005007600000000, -0.0001440600000000, -0.0001269000000000 ] - [ -0.0001699900000000, 0.0007683900000000, -0.0005429800000000 ] - [ 0.0006668000000000, 0.0018220900000000, 0.0008518200000000 ] - [ -0.0002230800000000, 0.0002286500000000, -0.0005645600000000 ] - [ -0.0001845100000000, 0.0006080200000000, -0.0000169400000000 ] - [ 0.0005718500000000, -0.0006099000000000, -0.0005091600000000 ] - [ 0.0027659500000000, -0.0010200300000000, -0.0016424600000000 ] - [ 0.0012130800000000, -0.0008959300000000, 0.0006594900000000 ] - [ 0.0006370000000000, 0.0010445200000000, -0.0009180900000000 ] - [ 0.0019196200000000, -0.0014190800000000, 0.0016385900000000 ] - [ 0.0023054000000000, 0.0028792400000000, 0.0012800800000000 ] - [ 0.0010004800000000, 0.0005195800000000, 0.0000875600000000 ] - [ 0.0018466600000000, 0.0009261000000000, -0.0008266000000000 ] - [ 0.0007539400000000, -0.0000291400000000, 0.0002818900000000 ] - [ 0.0005037800000000, 0.0003764500000000, -0.0003900000000000 ] - [ 0.0006484700000000, 0.0005309500000000, -0.0004282800000000 ] - [ 0.0007653000000000, 0.0001744400000000, 0.0003438100000000 ] - [ 0.0015116900000000, 0.0002060200000000, -0.0001955000000000 ] - [ 0.0009259000000000, 0.0002857100000000, 0.0008179800000000 ] - [ 0.0018514100000000, -0.0002618100000000, 0.0003164200000000 ] - [ 0.0005624800000000, 0.0006637100000000, 0.0005222700000000 ] - [ 0.0012590000000000, -0.0001274400000000, 0.0002469000000000 ] - [ 0.0011290500000000, 0.0003902900000000, -0.0002325300000000 ] - [ 0.0008144400000000, -0.0002695000000000, 0.0002585800000000 ] - [ 0.0004528100000000, 0.0002296200000000, -0.0000587600000000 ] - [ 0.0007509900000000, -0.0002647200000000, -0.0000878600000000 ] - [ 0.0004015100000000, 0.0002576400000000, 0.0000505200000000 ] - [ 0.0031565800000000, 0.0010499600000000, 0.0001903300000000 ] - [ 0.0041732500000000, -0.0030146700000000, -0.0013578400000000 ] - [ 0.0015417200000000, -0.0003602200000000, -0.0002010100000000 ] - [ -0.0002523900000000, 0.0000240600000000, -0.0007160200000000 ] - [ -0.0001282400000000, 0.0000264100000000, -0.0001085300000000 ] - [ 0.0001499100000000, -0.0000340700000000, 0.0002394300000000 ] - [ 0.0007284100000000, -0.0003070900000000, 0.0001266900000000 ] - [ 0.0011722300000000, 0.0013790500000000, -0.0026404500000000 ] - [ 0.0010213400000000, -0.0005030900000000, 0.0008812200000000 ] - [ 0.0006597700000000, 0.0010933100000000, -0.0000089100000000 ] - [ 0.0026655000000000, 0.0020792600000000, 0.0002518100000000 ] - [ -0.0000472200000000, -0.0000858000000000, 0.0001660100000000 ] - [ 0.0010045700000000, 0.0007185200000000, 0.0001530200000000 ] - [ 0.0001175700000000, -0.0002335400000000, 0.0002676000000000 ] - [ 0.0138194900000000, -0.0044166500000000, -0.0045458600000000 ] - [ -0.0004495100000000, 0.0003895600000000, -0.0000581100000000 ] - [ 0.0003919600000000, -0.0009109000000000, 0.0002154800000000 ] - [ 0.0009243400000000, -0.0009114400000000, 0.0009378100000000 ] - [ -0.0006095900000000, -0.0001739400000000, -0.0002561100000000 ] - [ 0.0053009700000000, 0.0047099000000000, 0.0097681200000000 ] - [ -0.0003622300000000, 0.0002390900000000, -0.0001292500000000 ] - [ -0.0008317200000000, -0.0007885200000000, 0.0000730600000000 ]- atom: 87 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000126900000000, -0.0000917400000000, -0.0002770100000000 ] - [ -0.0008620500000000, -0.0003493400000000, 0.0006481700000000 ] - [ -0.0037939100000000, -0.0025868900000000, 0.0007199200000000 ] - [ 0.0001261100000000, 0.0004652800000000, 0.0003710700000000 ] - [ -0.0001986500000000, 0.0006184400000000, 0.0004192100000000 ] - [ -0.0006338400000000, -0.0006767400000000, 0.0000441600000000 ] - [ -0.0017305000000000, -0.0009145800000000, 0.0021515600000000 ] - [ -0.0017082100000000, 0.0005153700000000, -0.0016225100000000 ] - [ -0.0007826700000000, 0.0022548600000000, 0.0004276100000000 ] - [ 0.0001423800000000, 0.0000842000000000, 0.0004089400000000 ] - [ 0.0005764500000000, -0.0002816200000000, -0.0005244800000000 ] - [ 0.0003634600000000, 0.0005160600000000, 0.0006223000000000 ] - [ 0.0004109300000000, 0.0003962000000000, -0.0000273800000000 ] - [ 0.0029501200000000, -0.0004285600000000, -0.0001775200000000 ] - [ 0.0002135900000000, 0.0002507100000000, -0.0004127100000000 ] - [ 0.0016598000000000, 0.0000248900000000, -0.0002514800000000 ] - [ 0.0004064900000000, -0.0004962200000000, -0.0003464100000000 ] - [ 0.0009843100000000, -0.0002070400000000, -0.0001295600000000 ] - [ -0.0000952000000000, -0.0002158000000000, -0.0006477800000000 ] - [ 0.0016210900000000, 0.0005678400000000, 0.0002549800000000 ] - [ -0.0000846000000000, 0.0004282100000000, 0.0003169800000000 ] - [ -0.0002601400000000, -0.0014904200000000, -0.0009198000000000 ] - [ 0.0002183700000000, 0.0001790100000000, 0.0006197300000000 ] - [ -0.0009869600000000, -0.0015898400000000, -0.0026933400000000 ] - [ -0.0299845500000000, 0.0188090800000000, -0.0153368000000000 ] - [ -0.0014304500000000, -0.0002615200000000, 0.0010837900000000 ] - [ -0.0008492100000000, 0.0004025900000000, -0.0009012600000000 ] - [ -0.0004907400000000, 0.0011054800000000, 0.0018628600000000 ] - [ 0.0027009800000000, -0.0055298800000000, -0.0019498000000000 ] - [ -0.0000345900000000, 0.0005079600000000, 0.0007795100000000 ] - [ 0.0012685300000000, 0.0005586300000000, -0.0010286300000000 ] - [ 0.0026294900000000, -0.0004020700000000, 0.0001423400000000 ] - [ 0.0021536700000000, 0.0003440800000000, -0.0001562400000000 ] - [ 0.0006206000000000, 0.0013501000000000, -0.0004830600000000 ] - [ -0.0000603300000000, -0.0006179200000000, 0.0001198500000000 ] - [ -0.0006822100000000, -0.0001554600000000, -0.0003008200000000 ] - [ 0.0010504300000000, -0.0025216900000000, 0.0028847800000000 ] - [ -0.0016251900000000, 0.0005396400000000, 0.0003159300000000 ] - [ -0.0029597900000000, -0.0009463600000000, -0.0004411400000000 ] - [ -0.1359200000000000, -0.0578657600000000, -0.0664587100000000 ] - [ -0.0006216800000000, 0.0003303500000000, 0.0004881800000000 ] - [ -0.0005139100000000, -0.0009908000000000, 0.0003417300000000 ] - [ 0.0010154800000000, 0.0014593100000000, -0.0013665500000000 ] - [ 0.0021821600000000, 0.0011395300000000, 0.0009518300000000 ] - [ 0.0027448700000000, -0.0017693900000000, -0.0018839900000000 ] - [ 0.0030467000000000, -0.0012910700000000, 0.0011224700000000 ] - [ 0.0004025700000000, -0.0003941500000000, 0.0008100300000000 ] - [ 0.0010860000000000, -0.0003179400000000, 0.0000840400000000 ] - [ 0.0012221600000000, 0.0001509700000000, -0.0008174600000000 ] - [ 0.0099411900000000, 0.0022068000000000, -0.0037522200000000 ] - [ 0.0001395500000000, 0.0083354300000000, 0.0045747300000000 ] - [ 0.0007137000000000, 0.0011177400000000, -0.0011483400000000 ] - [ 0.0001614000000000, 0.0004997000000000, 0.0000862500000000 ] - [ -0.0002640300000000, -0.0004547300000000, -0.0000421600000000 ] - [ -0.0011330900000000, 0.0009877000000000, -0.0014570300000000 ] - [ -0.0014509600000000, -0.0008927900000000, -0.0006390900000000 ] - [ 0.0001236100000000, 0.0001629600000000, 0.0002579600000000 ] - [ -0.0091002600000000, -0.0013820500000000, -0.0020534000000000 ] - [ -0.0004641000000000, -0.0003265600000000, 0.0002407900000000 ] - [ 0.0013946600000000, -0.0008534900000000, -0.0003103900000000 ] - [ 0.0000073200000000, 0.0001142600000000, 0.0008381700000000 ] - [ -0.0003195500000000, 0.0002752400000000, -0.0004420500000000 ] - [ 0.0038224000000000, 0.0030415500000000, 0.0009431800000000 ] - [ -0.0001727200000000, 0.0003490000000000, 0.0008777400000000 ] - [ 0.0002375300000000, -0.0007630900000000, -0.0000680600000000 ] - [ 0.0005171200000000, 0.0003705400000000, 0.0003318500000000 ] - [ 0.0004512800000000, 0.0003438000000000, 0.0004418200000000 ] - [ 0.0002300600000000, -0.0000259100000000, -0.0009775100000000 ] - [ 0.0011111400000000, -0.0000132100000000, -0.0000272300000000 ] - [ 0.0009310400000000, -0.0001460600000000, 0.0001183200000000 ] - [ -0.0003767500000000, 0.0002050100000000, -0.0002967700000000 ] - [ -0.0003962900000000, -0.0001857000000000, 0.0000987900000000 ] - [ -0.0000497700000000, 0.0002274400000000, -0.0015275800000000 ] - [ 0.0000080800000000, 0.0005002700000000, 0.0009032900000000 ] - [ -0.0001068000000000, -0.0005114800000000, 0.0002149500000000 ] - [ -0.0001163100000000, 0.0006286600000000, -0.0000729600000000 ] - [ 0.0008259000000000, -0.0005753800000000, -0.0003473000000000 ] - [ 0.0010431600000000, -0.0006939200000000, -0.0020039600000000 ] - [ 0.0007171900000000, -0.0007383800000000, 0.0001796400000000 ] - [ 0.0004327700000000, -0.0025311700000000, -0.0015613800000000 ] - [ 0.0002059800000000, -0.0009185300000000, 0.0004138200000000 ] - [ 0.0007356700000000, -0.0007700200000000, 0.0017581900000000 ] - [ 0.0004062200000000, 0.0064077800000000, -0.0040406900000000 ] - [ 0.0016918800000000, -0.0006058000000000, -0.0006780900000000 ] - [ 0.0013643300000000, 0.0011870800000000, -0.0014267400000000 ] - [ 0.0022594100000000, -0.0010986200000000, 0.0007829200000000 ] - [ 0.2099968200000000, 0.0457989000000000, 0.1015071700000000 ] - [ 0.0007814500000000, -0.0007838100000000, -0.0001382400000000 ] - [ 0.0078957000000000, -0.0018699700000000, -0.0031508100000000 ] - [ 0.0001721100000000, -0.0001986400000000, -0.0003354100000000 ] - [ 0.0010608300000000, 0.0008982800000000, 0.0008983600000000 ] - [ 0.0004342900000000, -0.0003789700000000, -0.0001304700000000 ] - [ 0.0009789500000000, -0.0003866300000000, -0.0003884900000000 ] - [ 0.0013332400000000, 0.0008989400000000, -0.0000016200000000 ] - [ -0.0010512700000000, 0.0037040900000000, 0.0113388200000000 ] - [ -0.0000596600000000, 0.0001552000000000, 0.0003434700000000 ] - [ 0.0009694800000000, 0.0022787700000000, 0.0005828000000000 ] - [ 0.0003506000000000, 0.0002376400000000, -0.0001547400000000 ] - [ -0.0131094700000000, 0.0031056800000000, -0.0126787400000000 ] - [ 0.0000099900000000, -0.0004021200000000, -0.0011227900000000 ] - [ -0.0107694300000000, -0.0134892300000000, -0.0026019300000000 ] - [ 0.0003604300000000, -0.0005135400000000, -0.0000694700000000 ] - [ 0.0008158700000000, -0.0012810300000000, 0.0012667800000000 ] - [ 0.0001223200000000, 0.0001054400000000, -0.0006173200000000 ] - [ -0.0000077200000000, 0.0005127200000000, -0.0006981700000000 ] - [ -0.0009013900000000, -0.0010568200000000, -0.0016224900000000 ] - [ -0.0003441400000000, 0.0002774100000000, -0.0004777300000000 ] - [ -0.0005964800000000, -0.0003841400000000, -0.0007459900000000 ] - [ -0.0006313400000000, 0.0005547200000000, 0.0004516400000000 ] - [ -0.0020107400000000, 0.0017959400000000, 0.0018510100000000 ] - [ -0.0009178300000000, 0.0006009400000000, -0.0009434800000000 ] - [ -0.0012234800000000, 0.0000429600000000, 0.0011265100000000 ] - [ -0.0017002800000000, 0.0008246400000000, -0.0005479300000000 ] - [ -0.0035678600000000, -0.0016152900000000, -0.0014502900000000 ] - [ 0.0002822100000000, 0.0007219300000000, 0.0000872700000000 ] - [ -0.0020466100000000, -0.0015033200000000, -0.0002608900000000 ] - [ -0.0001656900000000, 0.0011113900000000, -0.0004920300000000 ] - [ -0.0007934400000000, -0.0006667300000000, 0.0006794100000000 ] - [ -0.0014130900000000, 0.0002420500000000, 0.0002020200000000 ] - [ -0.0007105700000000, -0.0002274300000000, -0.0002878200000000 ] - [ -0.0007314600000000, 0.0000152000000000, 0.0009589400000000 ] - [ -0.0003632300000000, 0.0002194800000000, 0.0002242600000000 ] - [ -0.0016288800000000, 0.0010265800000000, 0.0004588700000000 ] - [ -0.0003859000000000, 0.0006163800000000, 0.0007194000000000 ] - [ -0.0008792300000000, 0.0000905000000000, 0.0004990500000000 ] - [ -0.0022135400000000, -0.0006039400000000, -0.0003528200000000 ] - [ -0.0007757100000000, -0.0004745500000000, 0.0001215800000000 ] - [ -0.0008196500000000, 0.0001364100000000, 0.0004262300000000 ] - [ -0.0002420000000000, -0.0007763400000000, -0.0004737300000000 ] - [ -0.0011488400000000, 0.0001130800000000, -0.0000066300000000 ] - [ -0.0028395100000000, -0.0007340400000000, 0.0001248400000000 ] - [ -0.0031503100000000, 0.0024707700000000, 0.0008489200000000 ] - [ -0.0002950100000000, 0.0001832800000000, -0.0010803900000000 ] - [ -0.0009887000000000, 0.0001524800000000, -0.0005673600000000 ] - [ -0.0009037600000000, 0.0005314400000000, -0.0004029000000000 ] - [ -0.0004665400000000, -0.0002843100000000, 0.0000784200000000 ] - [ 0.0000201100000000, -0.0000640900000000, -0.0000813000000000 ] - [ -0.0016806300000000, -0.0003381000000000, 0.0020833800000000 ] - [ -0.0006492100000000, 0.0001332400000000, -0.0005091600000000 ] - [ -0.0006980900000000, -0.0003488500000000, 0.0003818500000000 ] - [ -0.0015751700000000, -0.0018642000000000, -0.0008378100000000 ] - [ -0.0003287200000000, 0.0001226100000000, 0.0005799000000000 ] - [ -0.0011842000000000, -0.0020068300000000, 0.0010879500000000 ] - [ -0.0003362000000000, -0.0005331800000000, 0.0005114200000000 ] - [ -0.0144499100000000, 0.0039704500000000, 0.0056013300000000 ] - [ -0.0003283000000000, -0.0006124100000000, 0.0008259700000000 ] - [ -0.0004437900000000, 0.0009594100000000, -0.0001611400000000 ] - [ -0.0001559400000000, 0.0001352100000000, -0.0011567100000000 ] - [ 0.0009041900000000, 0.0004669800000000, 0.0005495300000000 ] - [ -0.0059230600000000, -0.0057846400000000, -0.0100440100000000 ] - [ 0.0005716800000000, 0.0003428200000000, -0.0009576700000000 ] - [ -0.0004508900000000, -0.0004508900000000, 0.0001043900000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000287600000000, -0.0013583900000000, -0.0002101000000000 ] - [ -0.0003309800000000, 0.0006995400000000, -0.0006167700000000 ] - [ 0.0028197000000000, 0.0113195800000000, -0.0027439900000000 ] - [ 0.0004130100000000, 0.0002619400000000, -0.0000141100000000 ] - [ 0.0000003200000000, -0.0000645400000000, 0.0004344400000000 ] - [ 0.0009474700000000, -0.0012849000000000, -0.0007253300000000 ] - [ -0.0002715900000000, 0.0004253800000000, 0.0009634800000000 ] - [ -0.0004366100000000, 0.0004997900000000, 0.0021807000000000 ] - [ -0.0008058900000000, -0.0021841700000000, -0.0001144800000000 ] - [ 0.0001481800000000, 0.0002623900000000, 0.0002514600000000 ] - [ 0.0004960200000000, -0.0004184500000000, -0.0003889500000000 ] - [ -0.0003419200000000, 0.0007323900000000, -0.0001481700000000 ] - [ 0.0002675300000000, 0.0000698000000000, 0.0000311000000000 ] - [ -0.0016112400000000, 0.0010627000000000, 0.0007344100000000 ] - [ -0.0001329600000000, 0.0001879700000000, -0.0004053800000000 ] - [ 0.0003526500000000, -0.0000838100000000, 0.0000063000000000 ] - [ -0.0000683400000000, -0.0007062700000000, -0.0002301800000000 ] - [ 0.0005226000000000, -0.0003109700000000, -0.0001806300000000 ] - [ -0.0003739200000000, 0.0001001200000000, -0.0003597700000000 ] - [ -0.0002362800000000, 0.0009708500000000, -0.0001546200000000 ] - [ -0.0006995900000000, 0.0002846600000000, -0.0001651500000000 ] - [ 0.0005665500000000, -0.0007468900000000, -0.0005835500000000 ] - [ 0.0002768800000000, -0.0003379200000000, 0.0004976100000000 ] - [ 0.0006680800000000, 0.0009084100000000, -0.0003673700000000 ] - [ -0.0239104100000000, 0.0224169300000000, -0.0131542200000000 ] - [ 0.0008462500000000, -0.0002438600000000, 0.0002047000000000 ] - [ 0.0004504400000000, -0.0010908100000000, -0.0005059400000000 ] - [ -0.0029963700000000, -0.0020243000000000, -0.0039874800000000 ] - [ 0.0025147900000000, -0.0003032500000000, 0.0009514200000000 ] - [ -0.0002720400000000, 0.0000183900000000, 0.0002748500000000 ] - [ 0.0001585000000000, 0.0013862400000000, -0.0001768400000000 ] - [ -0.0000779600000000, -0.0004226800000000, -0.0006255200000000 ] - [ 0.0001998000000000, -0.0009476600000000, 0.0001182500000000 ] - [ -0.0007894900000000, 0.0010428100000000, -0.0000419500000000 ] - [ 0.0001270700000000, -0.0003531500000000, -0.0002730100000000 ] - [ -0.0005211500000000, -0.0017415700000000, 0.0002719900000000 ] - [ 0.0020587300000000, -0.0022867800000000, 0.0028057500000000 ] - [ 0.0015499700000000, -0.0013440000000000, -0.0000975600000000 ] - [ -0.0009241900000000, -0.0036948200000000, -0.0004657600000000 ] - [ 0.0615141500000000, 0.0755528700000000, 0.0416946100000000 ] - [ 0.0005160100000000, -0.0008218500000000, 0.0000663900000000 ] - [ 0.0008697800000000, 0.0011408900000000, -0.0022030500000000 ] - [ -0.0009935300000000, -0.0008296000000000, 0.0017876800000000 ] - [ -0.0005551500000000, -0.0014341100000000, -0.0004921700000000 ] - [ 0.0009830000000000, -0.0003850500000000, -0.0009901200000000 ] - [ 0.0006966000000000, -0.0005057900000000, 0.0004239700000000 ] - [ -0.0004691700000000, -0.0012241100000000, 0.0003140500000000 ] - [ -0.0003171300000000, 0.0010245300000000, -0.0003836200000000 ] - [ -0.0001126700000000, -0.0015084200000000, -0.0001493300000000 ] - [ 0.0021340800000000, 0.0020936800000000, -0.0007338900000000 ] - [ -0.0033086200000000, 0.0017815700000000, -0.0032775800000000 ] - [ -0.0011254700000000, -0.0006774000000000, 0.0010284200000000 ] - [ 0.0003560700000000, 0.0000604900000000, 0.0001695200000000 ] - [ 0.0000875800000000, -0.0007305100000000, -0.0003688300000000 ] - [ 0.0008066700000000, -0.0017645500000000, -0.0001079800000000 ] - [ 0.0001380800000000, -0.0007858500000000, 0.0008473000000000 ] - [ 0.0008438500000000, -0.0001159700000000, 0.0001287300000000 ] - [ 0.0060239600000000, 0.0048059700000000, -0.0088716700000000 ] - [ -0.0003049700000000, -0.0003032200000000, 0.0002946700000000 ] - [ 0.0014660200000000, 0.0002288100000000, 0.0012432100000000 ] - [ -0.0000026100000000, 0.0000379100000000, 0.0006581900000000 ] - [ -0.0001896200000000, -0.0000681300000000, -0.0005002000000000 ] - [ 0.0014705000000000, 0.0022027400000000, -0.0001845900000000 ] - [ -0.0006060300000000, -0.0004057500000000, -0.0003991300000000 ] - [ 0.0000978300000000, -0.0009365200000000, 0.0000058900000000 ] - [ 0.0002170200000000, 0.0002313400000000, 0.0002692800000000 ] - [ 0.0002550100000000, 0.0002958100000000, 0.0003973700000000 ] - [ -0.0000240600000000, 0.0001122400000000, -0.0008170300000000 ] - [ 0.0005492100000000, -0.0001349000000000, -0.0001745300000000 ] - [ 0.0005062800000000, -0.0001458800000000, -0.0000055100000000 ] - [ -0.0005024300000000, 0.0000845700000000, -0.0000097200000000 ] - [ -0.0004845400000000, 0.0001638500000000, -0.0001256600000000 ] - [ -0.0001394100000000, -0.0003334100000000, -0.0002627900000000 ] - [ -0.0005647200000000, -0.0007107100000000, 0.0001454300000000 ] - [ -0.0001708500000000, -0.0003615200000000, 0.0001974500000000 ] - [ -0.0000415300000000, 0.0011722300000000, 0.0000736600000000 ] - [ 0.0005582900000000, 0.0002132300000000, -0.0000021400000000 ] - [ -0.0000081700000000, -0.0000129000000000, 0.0015436200000000 ] - [ 0.0001374000000000, 0.0006073000000000, -0.0002568200000000 ] - [ 0.0021091300000000, 0.0013602800000000, 0.0027976000000000 ] - [ -0.0004480300000000, 0.0001388300000000, -0.0004438200000000 ] - [ 0.0010549900000000, 0.0003417100000000, -0.0025211800000000 ] - [ -0.0021002700000000, 0.0057724300000000, -0.0055169900000000 ] - [ 0.0004779800000000, 0.0013248900000000, -0.0008232900000000 ] - [ 0.0004911100000000, 0.0012638600000000, -0.0012977600000000 ] - [ -0.0003716300000000, 0.0007397800000000, -0.0009103200000000 ] - [ -0.0483270800000000, -0.1184962200000000, -0.0316419100000000 ] - [ -0.0015024900000000, 0.0015978200000000, 0.0012076200000000 ] - [ 0.0054741400000000, 0.0044986200000000, 0.0127419000000000 ] - [ -0.0001383800000000, 0.0003362300000000, -0.0000847200000000 ] - [ 0.0003703800000000, 0.0019429900000000, 0.0011954600000000 ] - [ -0.0006349000000000, 0.0004924700000000, 0.0003509400000000 ] - [ 0.0001320200000000, -0.0007598900000000, 0.0002548000000000 ] - [ 0.0001171200000000, -0.0005944300000000, 0.0005296400000000 ] - [ -0.0073528700000000, -0.0025655700000000, 0.0095883000000000 ] - [ -0.0008584400000000, 0.0001642800000000, 0.0003904100000000 ] - [ -0.0016254800000000, 0.0032397100000000, -0.0000796600000000 ] - [ -0.0005040400000000, 0.0016978800000000, -0.0006775000000000 ] - [ -0.0083569400000000, -0.0077487300000000, -0.0054251200000000 ] - [ 0.0001054000000000, -0.0016392600000000, 0.0021612800000000 ] - [ 0.0145452700000000, 0.0021663200000000, 0.0019793400000000 ] - [ -0.0000717700000000, 0.0002214900000000, -0.0002946600000000 ] - [ 0.0007350900000000, 0.0005925800000000, -0.0002577100000000 ] - [ -0.0003130300000000, 0.0003225400000000, -0.0004076300000000 ] - [ -0.0000813600000000, 0.0007982700000000, -0.0005397500000000 ] - [ 0.0013438000000000, 0.0012615000000000, 0.0003682800000000 ] - [ -0.0001351000000000, -0.0002730800000000, 0.0000285300000000 ] - [ -0.0003363300000000, 0.0008135500000000, -0.0000213500000000 ] - [ -0.0005637900000000, 0.0001536100000000, 0.0001645300000000 ] - [ -0.0011851300000000, 0.0002510800000000, -0.0000105600000000 ] - [ -0.0000144100000000, -0.0002035300000000, -0.0004162000000000 ] - [ 0.0000634300000000, 0.0001099400000000, -0.0008216100000000 ] - [ -0.0004160400000000, -0.0001681000000000, -0.0000306500000000 ] - [ -0.0012771100000000, -0.0010183200000000, 0.0004490700000000 ] - [ 0.0005141400000000, 0.0010649300000000, 0.0000941900000000 ] - [ 0.0007999800000000, 0.0005112800000000, -0.0010563700000000 ] - [ 0.0002468700000000, 0.0009236300000000, -0.0003369500000000 ] - [ 0.0001192000000000, 0.0001734200000000, -0.0002462800000000 ] - [ -0.0000596100000000, 0.0009053600000000, -0.0000631500000000 ] - [ 0.0003509400000000, 0.0000158800000000, 0.0003316900000000 ] - [ 0.0001790700000000, -0.0004533800000000, 0.0007309400000000 ] - [ 0.0003363900000000, 0.0005068100000000, 0.0005506300000000 ] - [ -0.0000605900000000, 0.0005766400000000, 0.0004053000000000 ] - [ 0.0000874600000000, 0.0005448200000000, 0.0007396700000000 ] - [ 0.0002970600000000, -0.0003241500000000, 0.0002438100000000 ] - [ -0.0006604100000000, -0.0002578500000000, -0.0004097000000000 ] - [ 0.0000595900000000, -0.0007343100000000, 0.0002198400000000 ] - [ -0.0000904400000000, 0.0006234500000000, 0.0001592400000000 ] - [ 0.0003007700000000, -0.0000840100000000, 0.0000012100000000 ] - [ -0.0001106600000000, 0.0009826300000000, 0.0000613700000000 ] - [ -0.0002492500000000, -0.0006306600000000, 0.0000258200000000 ] - [ -0.0000346000000000, -0.0000265100000000, 0.0000550700000000 ] - [ 0.0004336900000000, -0.0002909900000000, -0.0007437000000000 ] - [ -0.0004931300000000, 0.0003443600000000, -0.0006547900000000 ] - [ -0.0007384500000000, 0.0007778800000000, -0.0003027900000000 ] - [ -0.0000490500000000, 0.0001526900000000, 0.0001238200000000 ] - [ 0.0002173100000000, -0.0005677400000000, 0.0000719300000000 ] - [ -0.0003994100000000, -0.0002209900000000, 0.0004810700000000 ] - [ 0.0003477600000000, -0.0006177800000000, 0.0003458800000000 ] - [ 0.0003509600000000, 0.0012397200000000, 0.0000795400000000 ] - [ 0.0016249000000000, 0.0000657700000000, 0.0000422000000000 ] - [ -0.0000850600000000, 0.0005974500000000, 0.0003057700000000 ] - [ 0.0013225400000000, -0.0000302300000000, 0.0004014300000000 ] - [ 0.0007245500000000, -0.0008280100000000, -0.0000196700000000 ] - [ -0.0049783700000000, -0.0009257700000000, 0.0017913400000000 ] - [ -0.0001200200000000, 0.0005187900000000, 0.0000075000000000 ] - [ -0.0007642700000000, 0.0010766900000000, -0.0001129200000000 ] - [ -0.0004509600000000, -0.0003886700000000, -0.0011330700000000 ] - [ -0.0002829400000000, 0.0005902500000000, 0.0004938000000000 ] - [ 0.0009078400000000, -0.0017026400000000, 0.0014481500000000 ] - [ -0.0001840200000000, 0.0005826000000000, -0.0003018100000000 ] - [ -0.0007341600000000, -0.0011414600000000, 0.0002219400000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004423800000000, 0.0005296400000000, 0.0000574000000000 ] - [ -0.0002671800000000, -0.0006079500000000, -0.0003837900000000 ] - [ -0.0032792000000000, -0.0125837800000000, 0.0038295000000000 ] - [ 0.0005865500000000, 0.0003358900000000, 0.0001038800000000 ] - [ 0.0000904700000000, 0.0010648700000000, 0.0001633500000000 ] - [ -0.0001230300000000, 0.0014335800000000, 0.0012023300000000 ] - [ -0.0005608800000000, -0.0005798800000000, -0.0004861000000000 ] - [ 0.0003431900000000, -0.0014935600000000, -0.0015802300000000 ] - [ -0.0001975500000000, 0.0015896000000000, 0.0002040600000000 ] - [ 0.0000042600000000, 0.0002065900000000, 0.0005769400000000 ] - [ 0.0001001800000000, 0.0003250200000000, -0.0006133200000000 ] - [ -0.0001261100000000, 0.0000945200000000, -0.0000038300000000 ] - [ 0.0002012300000000, 0.0007569600000000, 0.0001226800000000 ] - [ 0.0010157500000000, -0.0011532400000000, 0.0002635600000000 ] - [ -0.0000193300000000, 0.0002817200000000, -0.0004235300000000 ] - [ 0.0006504200000000, -0.0005136200000000, -0.0000967100000000 ] - [ 0.0001611600000000, -0.0002948700000000, -0.0003684700000000 ] - [ 0.0003067600000000, 0.0001598600000000, -0.0002908900000000 ] - [ -0.0004531200000000, 0.0000528100000000, -0.0001116500000000 ] - [ 0.0001458000000000, 0.0000292100000000, -0.0004444900000000 ] - [ -0.0003001900000000, 0.0003127600000000, 0.0000766600000000 ] - [ -0.0004109200000000, 0.0002774700000000, -0.0002462100000000 ] - [ 0.0003200000000000, 0.0004286500000000, 0.0005042600000000 ] - [ -0.0011373300000000, -0.0017317100000000, 0.0005235600000000 ] - [ 0.0235900700000000, -0.0235015500000000, 0.0133690100000000 ] - [ -0.0002091800000000, -0.0001808600000000, 0.0009014600000000 ] - [ 0.0006523700000000, 0.0017300300000000, 0.0000829100000000 ] - [ 0.0018777700000000, 0.0013797700000000, 0.0035584900000000 ] - [ -0.0031601500000000, 0.0007096300000000, 0.0001412000000000 ] - [ -0.0001536600000000, 0.0010864700000000, 0.0003641500000000 ] - [ 0.0002685300000000, -0.0002783400000000, -0.0004613000000000 ] - [ 0.0007152900000000, 0.0008468500000000, -0.0004814100000000 ] - [ 0.0009081200000000, 0.0003085000000000, 0.0003068100000000 ] - [ -0.0003161500000000, -0.0004058000000000, 0.0004668100000000 ] - [ -0.0007646500000000, -0.0000722300000000, -0.0008315400000000 ] - [ 0.0001008200000000, 0.0006368100000000, -0.0009136400000000 ] - [ -0.0027209600000000, 0.0029508900000000, -0.0021350000000000 ] - [ -0.0010069100000000, 0.0018880000000000, 0.0006405100000000 ] - [ 0.0000143300000000, 0.0046102400000000, -0.0004454600000000 ] - [ -0.0606631900000000, -0.0760954700000000, -0.0401941700000000 ] - [ -0.0000172100000000, 0.0013198300000000, 0.0004367000000000 ] - [ 0.0000370600000000, -0.0020507100000000, 0.0012898600000000 ] - [ 0.0004459800000000, 0.0002864200000000, -0.0012446200000000 ] - [ 0.0012229500000000, 0.0007667000000000, 0.0011591400000000 ] - [ -0.0016434100000000, -0.0002867900000000, 0.0003201900000000 ] - [ -0.0001441600000000, -0.0000418400000000, -0.0009659900000000 ] - [ -0.0004368700000000, 0.0003134000000000, 0.0005975300000000 ] - [ -0.0001816800000000, -0.0005212700000000, -0.0001181500000000 ] - [ 0.0006162400000000, 0.0010065200000000, -0.0003537900000000 ] - [ -0.0012292200000000, -0.0011865300000000, 0.0016492500000000 ] - [ 0.0027684100000000, -0.0012375000000000, 0.0027432500000000 ] - [ 0.0017909400000000, 0.0013439800000000, -0.0016983900000000 ] - [ -0.0001636500000000, 0.0013931300000000, -0.0001245900000000 ] - [ 0.0001991400000000, -0.0001848200000000, -0.0000967000000000 ] - [ -0.0003421000000000, 0.0014694800000000, -0.0008125800000000 ] - [ -0.0001826200000000, 0.0005858100000000, 0.0006108800000000 ] - [ 0.0006111900000000, 0.0001599800000000, 0.0000629400000000 ] - [ -0.0051472900000000, -0.0044228400000000, 0.0091498300000000 ] - [ -0.0006097600000000, -0.0001633800000000, -0.0000066900000000 ] - [ -0.0029081200000000, -0.0002752100000000, -0.0010412100000000 ] - [ 0.0000468300000000, 0.0001534300000000, 0.0007969500000000 ] - [ -0.0002766700000000, 0.0003553300000000, -0.0004138800000000 ] - [ -0.0017470500000000, -0.0012788500000000, -0.0002784700000000 ] - [ 0.0004115900000000, -0.0010462900000000, 0.0004435500000000 ] - [ 0.0000940900000000, -0.0005195500000000, -0.0000501600000000 ] - [ 0.0000710300000000, 0.0006826500000000, 0.0001967300000000 ] - [ 0.0002114400000000, -0.0000078400000000, 0.0005165700000000 ] - [ -0.0000199900000000, 0.0000792900000000, -0.0006376800000000 ] - [ 0.0009068900000000, 0.0000903600000000, -0.0000172800000000 ] - [ 0.0004085400000000, -0.0003202700000000, -0.0002823000000000 ] - [ -0.0004117700000000, 0.0003812800000000, -0.0002784800000000 ] - [ -0.0009691100000000, -0.0001189700000000, -0.0000674300000000 ] - [ 0.0001844800000000, 0.0001418900000000, -0.0011946400000000 ] - [ 0.0001001700000000, 0.0004242600000000, 0.0007696600000000 ] - [ -0.0001161300000000, -0.0005533500000000, 0.0002685300000000 ] - [ -0.0001499200000000, 0.0002830200000000, -0.0001180300000000 ] - [ 0.0007168500000000, -0.0014525200000000, -0.0001751600000000 ] - [ -0.0002003100000000, 0.0005978600000000, -0.0004578300000000 ] - [ 0.0004483300000000, -0.0016975800000000, 0.0004706600000000 ] - [ -0.0024052700000000, -0.0010750200000000, -0.0030987100000000 ] - [ -0.0003166900000000, -0.0009141300000000, 0.0006706300000000 ] - [ -0.0009945400000000, -0.0002781900000000, 0.0024650200000000 ] - [ 0.0028635500000000, -0.0059584400000000, 0.0047098000000000 ] - [ 0.0000832500000000, -0.0018398700000000, -0.0002139000000000 ] - [ -0.0002596200000000, -0.0020229800000000, 0.0005188700000000 ] - [ 0.0005495600000000, -0.0020117200000000, -0.0003286900000000 ] - [ 0.0481513800000000, 0.1193416000000000, 0.0298916000000000 ] - [ 0.0004177200000000, -0.0013888200000000, -0.0006223100000000 ] - [ -0.0053635500000000, -0.0037042800000000, -0.0129091900000000 ] - [ -0.0002334600000000, -0.0007092200000000, -0.0002880100000000 ] - [ 0.0001415800000000, -0.0009112300000000, -0.0006403800000000 ] - [ -0.0001103600000000, -0.0008631200000000, -0.0003942200000000 ] - [ 0.0001859300000000, 0.0004420000000000, -0.0005708800000000 ] - [ 0.0009184000000000, 0.0011537800000000, -0.0000187900000000 ] - [ 0.0085954800000000, 0.0028068700000000, -0.0083124600000000 ] - [ -0.0003807000000000, -0.0003390800000000, 0.0008834700000000 ] - [ 0.0006003600000000, -0.0038137300000000, 0.0005896600000000 ] - [ 0.0001903300000000, -0.0013856700000000, 0.0003647100000000 ] - [ 0.0091162800000000, 0.0081028100000000, 0.0054112700000000 ] - [ -0.0006125200000000, 0.0006006000000000, -0.0015983100000000 ] - [ -0.0139461600000000, -0.0017764900000000, -0.0023554500000000 ] - [ 0.0000284800000000, -0.0009672400000000, -0.0000783300000000 ] - [ 0.0003534300000000, -0.0008018400000000, 0.0008411100000000 ] - [ -0.0000576700000000, -0.0003615700000000, -0.0003401900000000 ] - [ -0.0000939300000000, 0.0004759900000000, -0.0007001800000000 ] - [ -0.0015691300000000, -0.0004976000000000, -0.0011441000000000 ] - [ -0.0004246000000000, 0.0007825000000000, -0.0010630400000000 ] - [ -0.0004409000000000, -0.0005880000000000, -0.0007436600000000 ] - [ 0.0005038100000000, -0.0002092400000000, -0.0002227500000000 ] - [ 0.0019439500000000, 0.0005283200000000, 0.0002357400000000 ] - [ 0.0003022800000000, -0.0000866200000000, 0.0001223700000000 ] - [ -0.0006475500000000, 0.0009775100000000, 0.0010287700000000 ] - [ 0.0006238800000000, -0.0004132200000000, 0.0011172600000000 ] - [ -0.0000004600000000, 0.0022498700000000, -0.0006249000000000 ] - [ 0.0007594400000000, 0.0001745600000000, 0.0000806700000000 ] - [ -0.0010106000000000, -0.0010958100000000, -0.0000293300000000 ] - [ 0.0003385000000000, 0.0001660100000000, 0.0001256400000000 ] - [ -0.0004110000000000, -0.0004670100000000, 0.0005387200000000 ] - [ -0.0007065200000000, -0.0001319000000000, -0.0001631500000000 ] - [ -0.0002925300000000, -0.0000749500000000, -0.0002734400000000 ] - [ 0.0005943200000000, 0.0006794800000000, 0.0000348100000000 ] - [ 0.0002231300000000, 0.0000006400000000, 0.0004866500000000 ] - [ 0.0002844200000000, 0.0001899900000000, 0.0003706200000000 ] - [ 0.0000875000000000, 0.0007289200000000, 0.0004993200000000 ] - [ 0.0000746300000000, 0.0002806600000000, 0.0005019100000000 ] - [ -0.0004298100000000, 0.0000465200000000, -0.0001756900000000 ] - [ -0.0000197700000000, -0.0000115500000000, 0.0001528300000000 ] - [ -0.0002838400000000, -0.0002500600000000, 0.0002150300000000 ] - [ 0.0002089200000000, -0.0009530000000000, -0.0005609300000000 ] - [ -0.0006362000000000, -0.0006120500000000, -0.0000181500000000 ] - [ 0.0005654200000000, 0.0009465600000000, 0.0002900100000000 ] - [ 0.0010710600000000, -0.0005341600000000, -0.0005658500000000 ] - [ 0.0008064000000000, 0.0001129100000000, -0.0005309600000000 ] - [ -0.0007478100000000, -0.0001690800000000, -0.0006192500000000 ] - [ -0.0002957000000000, -0.0002181900000000, -0.0002097000000000 ] - [ -0.0002675900000000, -0.0004688300000000, 0.0001914800000000 ] - [ 0.0005276200000000, 0.0001956400000000, -0.0000285700000000 ] - [ -0.0001103200000000, 0.0012590500000000, -0.0010418700000000 ] - [ 0.0000247100000000, 0.0002436300000000, 0.0000272400000000 ] - [ -0.0003940200000000, -0.0004946900000000, 0.0002920100000000 ] - [ -0.0005402000000000, 0.0001452000000000, -0.0006275800000000 ] - [ -0.0002910700000000, -0.0005566400000000, 0.0004398300000000 ] - [ -0.0015039700000000, -0.0012463000000000, 0.0008404200000000 ] - [ -0.0009509800000000, 0.0000621200000000, 0.0007956800000000 ] - [ 0.0044075000000000, 0.0004141200000000, -0.0007560400000000 ] - [ -0.0006559800000000, -0.0007438700000000, 0.0007611100000000 ] - [ 0.0007009400000000, -0.0010149200000000, 0.0001722500000000 ] - [ 0.0012105700000000, -0.0003867800000000, 0.0008986000000000 ] - [ 0.0005748100000000, -0.0002980700000000, -0.0002007500000000 ] - [ -0.0014948500000000, 0.0006357600000000, -0.0016597000000000 ] - [ 0.0003914300000000, -0.0000016600000000, -0.0007858100000000 ] - [ -0.0005420000000000, -0.0000987400000000, -0.0000458200000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002866900000000, -0.0007547200000000, 0.0003250700000000 ] - [ -0.0004470600000000, 0.0005074000000000, -0.0019290100000000 ] - [ -0.0002999900000000, -0.0031104200000000, 0.0040439300000000 ] - [ 0.0005975900000000, 0.0002985100000000, -0.0007789300000000 ] - [ -0.0000198900000000, 0.0001792300000000, 0.0002273100000000 ] - [ 0.0008061000000000, -0.0022194100000000, 0.0002921600000000 ] - [ -0.0004526000000000, 0.0009005400000000, -0.0017932900000000 ] - [ 0.0016869200000000, 0.0022395600000000, -0.0004350100000000 ] - [ -0.0008030800000000, -0.0009601400000000, 0.0007325000000000 ] - [ 0.0002432200000000, 0.0001699600000000, -0.0002944800000000 ] - [ 0.0002239400000000, 0.0000537700000000, -0.0002764600000000 ] - [ -0.0006304600000000, 0.0004534300000000, -0.0008033800000000 ] - [ 0.0002432400000000, 0.0002156900000000, 0.0000191200000000 ] - [ -0.0008303500000000, 0.0000722100000000, 0.0014738600000000 ] - [ -0.0001771900000000, 0.0002422200000000, -0.0007000000000000 ] - [ 0.0002723400000000, -0.0003010900000000, 0.0004505500000000 ] - [ 0.0000606100000000, -0.0004162400000000, -0.0003929800000000 ] - [ 0.0001374300000000, -0.0000042700000000, -0.0002170800000000 ] - [ -0.0004052100000000, 0.0001184300000000, -0.0002957600000000 ] - [ -0.0010374200000000, 0.0007114100000000, -0.0002300500000000 ] - [ -0.0007100200000000, 0.0002425400000000, -0.0007588500000000 ] - [ 0.0003313900000000, -0.0001806500000000, 0.0002984300000000 ] - [ 0.0003502800000000, -0.0000039300000000, 0.0000511300000000 ] - [ 0.0025992600000000, -0.0010514700000000, -0.0015283700000000 ] - [ 0.0167382300000000, -0.0113790100000000, 0.0128016600000000 ] - [ 0.0007647100000000, -0.0007952400000000, -0.0015363900000000 ] - [ 0.0012123000000000, 0.0006690400000000, 0.0001410000000000 ] - [ -0.0040917400000000, -0.0031860700000000, -0.0060243200000000 ] - [ -0.0024920600000000, 0.0039145800000000, 0.0050981600000000 ] - [ -0.0002949400000000, 0.0004200200000000, -0.0003490600000000 ] - [ 0.0004810500000000, 0.0009524400000000, -0.0008006600000000 ] - [ -0.0000692200000000, 0.0002333800000000, -0.0000285200000000 ] - [ -0.0000854700000000, -0.0012863700000000, 0.0006412000000000 ] - [ -0.0003724500000000, -0.0000711900000000, 0.0000230000000000 ] - [ -0.0002899000000000, 0.0001630600000000, -0.0016856100000000 ] - [ -0.0000850000000000, -0.0004571900000000, 0.0002735400000000 ] - [ -0.0026164300000000, 0.0030217100000000, -0.0021398400000000 ] - [ 0.0026936400000000, -0.0012116500000000, -0.0008821600000000 ] - [ -0.0001368900000000, 0.0006277400000000, 0.0007207600000000 ] - [ 0.0664819700000000, 0.0377460700000000, 0.0804435400000000 ] - [ 0.0007691800000000, -0.0003456300000000, -0.0009937700000000 ] - [ 0.0012968600000000, 0.0006816300000000, -0.0052798300000000 ] - [ -0.0001318900000000, 0.0000480200000000, 0.0012539000000000 ] - [ -0.0011328300000000, -0.0018614200000000, -0.0006618100000000 ] - [ 0.0011968400000000, -0.0004631900000000, -0.0001945500000000 ] - [ -0.0009499800000000, 0.0006023000000000, -0.0011333100000000 ] - [ -0.0007431100000000, -0.0006003400000000, -0.0003831300000000 ] - [ -0.0007060900000000, 0.0005856800000000, -0.0015341500000000 ] - [ -0.0000121400000000, -0.0005663300000000, 0.0008871400000000 ] - [ -0.0006517800000000, 0.0002591700000000, 0.0021068200000000 ] - [ -0.0023604600000000, -0.0056265900000000, -0.0041538200000000 ] - [ 0.0023998400000000, 0.0025373000000000, -0.0024794200000000 ] - [ -0.0000282200000000, 0.0009793500000000, -0.0000908500000000 ] - [ 0.0003180700000000, -0.0005786800000000, -0.0004402600000000 ] - [ 0.0014659600000000, -0.0033450100000000, 0.0020663900000000 ] - [ 0.0005821300000000, 0.0009142000000000, 0.0028139100000000 ] - [ 0.0007724900000000, 0.0001148500000000, -0.0000581300000000 ] - [ 0.0097616400000000, -0.0059228300000000, -0.0088754800000000 ] - [ -0.0006338100000000, -0.0001442500000000, -0.0002084200000000 ] - [ 0.0037994500000000, -0.0004119400000000, 0.0041153900000000 ] - [ 0.0000255400000000, 0.0001028200000000, 0.0003827000000000 ] - [ -0.0001506500000000, -0.0000088000000000, -0.0006230700000000 ] - [ -0.0033616800000000, -0.0019025500000000, -0.0010088100000000 ] - [ -0.0000279900000000, -0.0012095500000000, 0.0000441600000000 ] - [ -0.0000039100000000, -0.0009765000000000, 0.0001644300000000 ] - [ 0.0001655400000000, 0.0004141100000000, 0.0002888000000000 ] - [ 0.0002034300000000, 0.0002082700000000, 0.0002495400000000 ] - [ -0.0000140300000000, 0.0000555200000000, -0.0009934700000000 ] - [ 0.0005435600000000, -0.0000613600000000, -0.0001483500000000 ] - [ 0.0002916000000000, -0.0002567800000000, -0.0003620500000000 ] - [ -0.0004650800000000, 0.0001750500000000, 0.0000227300000000 ] - [ -0.0010388800000000, 0.0001404400000000, -0.0001537300000000 ] - [ 0.0003152300000000, -0.0001104600000000, -0.0002314000000000 ] - [ -0.0003775300000000, -0.0001696900000000, 0.0008009600000000 ] - [ 0.0001217800000000, -0.0005978600000000, 0.0000365900000000 ] - [ -0.0000658000000000, 0.0006479800000000, -0.0003251600000000 ] - [ 0.0006568200000000, -0.0005901500000000, 0.0002640200000000 ] - [ -0.0004670100000000, 0.0011365300000000, 0.0029252300000000 ] - [ -0.0000393600000000, 0.0000446100000000, 0.0000621100000000 ] - [ 0.0010982900000000, 0.0026911600000000, 0.0006627800000000 ] - [ -0.0002656500000000, -0.0010448700000000, 0.0019011700000000 ] - [ -0.0020195300000000, -0.0023843200000000, 0.0027234600000000 ] - [ 0.0022048600000000, -0.0076597300000000, 0.0025613500000000 ] - [ 0.0002796000000000, -0.0003379100000000, -0.0011113200000000 ] - [ -0.0005011700000000, -0.0017822900000000, 0.0006389000000000 ] - [ -0.0009015100000000, 0.0007271800000000, -0.0036648200000000 ] - [ -0.1044937700000000, -0.0316706300000000, -0.1213416100000000 ] - [ -0.0022086400000000, 0.0023247600000000, 0.0019416400000000 ] - [ 0.0088176600000000, 0.0159738000000000, 0.0135740900000000 ] - [ -0.0001898300000000, 0.0000984500000000, 0.0004686500000000 ] - [ -0.0000484200000000, 0.0003764600000000, -0.0006716900000000 ] - [ -0.0007553700000000, 0.0005274000000000, 0.0008493200000000 ] - [ -0.0004486800000000, -0.0003857500000000, 0.0019049300000000 ] - [ 0.0001716600000000, -0.0001964900000000, 0.0016693500000000 ] - [ -0.0185700100000000, 0.0065332400000000, 0.0178018500000000 ] - [ -0.0005243800000000, -0.0004367600000000, 0.0010464700000000 ] - [ -0.0009518300000000, -0.0008883100000000, -0.0011909100000000 ] - [ -0.0003063500000000, 0.0004266500000000, -0.0006089500000000 ] - [ 0.0159475200000000, -0.0020928000000000, 0.0041095000000000 ] - [ 0.0000314800000000, -0.0015217100000000, 0.0040192400000000 ] - [ -0.0010721000000000, 0.0002633000000000, -0.0097193300000000 ] - [ -0.0001697700000000, -0.0002481900000000, 0.0001662600000000 ] - [ 0.0002310600000000, -0.0001305400000000, -0.0001399800000000 ] - [ -0.0004314500000000, 0.0000136600000000, 0.0003316600000000 ] - [ -0.0001442400000000, 0.0007151000000000, -0.0001431600000000 ] - [ 0.0018260000000000, 0.0020313400000000, 0.0002324100000000 ] - [ 0.0000205200000000, -0.0001687500000000, 0.0009982000000000 ] - [ -0.0002366000000000, 0.0006870100000000, 0.0002083400000000 ] - [ -0.0009675300000000, 0.0003931900000000, -0.0000561900000000 ] - [ -0.0016959400000000, 0.0010517800000000, -0.0027252100000000 ] - [ 0.0007641800000000, -0.0006551800000000, 0.0005432700000000 ] - [ -0.0005496800000000, -0.0000629700000000, -0.0003272800000000 ] - [ 0.0012182400000000, -0.0012144500000000, 0.0007609600000000 ] - [ 0.0014121800000000, 0.0025161200000000, 0.0001957400000000 ] - [ 0.0007072400000000, 0.0008152300000000, -0.0001676000000000 ] - [ -0.0000400800000000, -0.0001820500000000, -0.0012794700000000 ] - [ 0.0004480100000000, 0.0001038400000000, 0.0002130700000000 ] - [ -0.0001174700000000, -0.0002231000000000, 0.0000429100000000 ] - [ 0.0003216200000000, 0.0007997400000000, -0.0004963600000000 ] - [ 0.0005510900000000, 0.0001583500000000, 0.0005404800000000 ] - [ 0.0004025700000000, -0.0000497700000000, 0.0005075000000000 ] - [ 0.0006456200000000, 0.0003030100000000, 0.0009581200000000 ] - [ -0.0000154000000000, 0.0007095300000000, 0.0000330800000000 ] - [ 0.0001591300000000, 0.0006233600000000, 0.0010853700000000 ] - [ 0.0003156800000000, -0.0001455600000000, 0.0008104600000000 ] - [ -0.0000845800000000, -0.0000525200000000, -0.0002153600000000 ] - [ 0.0002852200000000, -0.0002136100000000, 0.0009558100000000 ] - [ 0.0000006700000000, 0.0001531500000000, -0.0002392300000000 ] - [ 0.0004122100000000, -0.0001248800000000, 0.0001975300000000 ] - [ -0.0002126600000000, 0.0002880300000000, -0.0003427300000000 ] - [ 0.0005783500000000, 0.0000425000000000, -0.0004748400000000 ] - [ 0.0010289100000000, -0.0006254900000000, -0.0006910900000000 ] - [ 0.0010725400000000, -0.0002413200000000, -0.0005234000000000 ] - [ -0.0005147400000000, 0.0001689800000000, -0.0006613400000000 ] - [ -0.0004300600000000, 0.0002092100000000, 0.0000767500000000 ] - [ -0.0001390600000000, -0.0001389500000000, 0.0005502900000000 ] - [ 0.0002455200000000, -0.0003311700000000, 0.0006095600000000 ] - [ -0.0004432100000000, 0.0008311500000000, -0.0010451900000000 ] - [ 0.0006897600000000, -0.0004957000000000, 0.0010883600000000 ] - [ 0.0002455500000000, 0.0007553600000000, -0.0006200300000000 ] - [ 0.0024719500000000, 0.0016657700000000, 0.0001385600000000 ] - [ -0.0003936000000000, 0.0000862600000000, -0.0001872000000000 ] - [ -0.0001776100000000, -0.0006002000000000, -0.0003958700000000 ] - [ -0.0010770600000000, -0.0003347800000000, 0.0012808000000000 ] - [ 0.0008261000000000, -0.0006794000000000, -0.0016120300000000 ] - [ -0.0010339900000000, -0.0008473800000000, 0.0001652700000000 ] - [ 0.0008308700000000, -0.0009782300000000, -0.0001799500000000 ] - [ 0.0011904400000000, -0.0008591200000000, 0.0011288000000000 ] - [ -0.0006763500000000, 0.0006708600000000, 0.0004187100000000 ] - [ 0.0057326100000000, 0.0037328700000000, 0.0067509400000000 ] - [ -0.0006176400000000, 0.0004094300000000, 0.0007380200000000 ] - [ -0.0009461800000000, -0.0005341600000000, 0.0009036200000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001839600000000, -0.0000733700000000, -0.0004795600000000 ] - [ -0.0001476600000000, -0.0004188300000000, 0.0009271700000000 ] - [ 0.0001449700000000, 0.0026401100000000, -0.0032575900000000 ] - [ 0.0004033600000000, 0.0002988500000000, 0.0008659300000000 ] - [ 0.0001101200000000, 0.0008214200000000, 0.0003732900000000 ] - [ 0.0000262600000000, 0.0023833700000000, 0.0001744200000000 ] - [ -0.0003793600000000, -0.0010503100000000, 0.0022627200000000 ] - [ -0.0017853300000000, -0.0032588100000000, 0.0010234700000000 ] - [ -0.0002006000000000, 0.0003760300000000, -0.0006377600000000 ] - [ -0.0000933900000000, 0.0003017500000000, 0.0011267200000000 ] - [ 0.0003737000000000, -0.0001438100000000, -0.0007249000000000 ] - [ 0.0001594600000000, 0.0003729900000000, 0.0006519700000000 ] - [ 0.0002252600000000, 0.0006154800000000, 0.0001335500000000 ] - [ 0.0002428700000000, -0.0001723400000000, -0.0004778400000000 ] - [ 0.0000246000000000, 0.0002272100000000, -0.0001305500000000 ] - [ 0.0007263600000000, -0.0002983700000000, -0.0005405000000000 ] - [ 0.0000307900000000, -0.0005835900000000, -0.0002072300000000 ] - [ 0.0006921900000000, -0.0001454500000000, -0.0002558100000000 ] - [ -0.0004227700000000, 0.0000354500000000, -0.0001740700000000 ] - [ 0.0009438100000000, 0.0002866400000000, -0.0003733000000000 ] - [ -0.0002899000000000, 0.0003555600000000, 0.0006697600000000 ] - [ -0.0001770800000000, -0.0002843800000000, -0.0011269000000000 ] - [ 0.0002479700000000, 0.0000957000000000, 0.0009500600000000 ] - [ -0.0030520800000000, 0.0002190200000000, 0.0016803800000000 ] - [ -0.0168764300000000, 0.0105625900000000, -0.0121213900000000 ] - [ -0.0001216700000000, 0.0003752300000000, 0.0026436400000000 ] - [ -0.0001072400000000, -0.0000254500000000, -0.0005686300000000 ] - [ 0.0029624800000000, 0.0025406400000000, 0.0055832000000000 ] - [ 0.0018619400000000, -0.0034786700000000, -0.0039840100000000 ] - [ -0.0001308500000000, 0.0006874400000000, 0.0009880700000000 ] - [ -0.0000626500000000, 0.0001465900000000, 0.0001590100000000 ] - [ 0.0007057200000000, 0.0001964700000000, -0.0010754600000000 ] - [ 0.0011893800000000, 0.0006495200000000, -0.0002169600000000 ] - [ -0.0007339300000000, 0.0007034800000000, 0.0004067300000000 ] - [ -0.0003487000000000, -0.0005868900000000, 0.0005769100000000 ] - [ -0.0003371700000000, -0.0006474100000000, -0.0009088400000000 ] - [ 0.0019448000000000, -0.0023389300000000, 0.0028010300000000 ] - [ -0.0021413400000000, 0.0017538900000000, 0.0014259800000000 ] - [ -0.0007747700000000, 0.0002799000000000, -0.0016330100000000 ] - [ -0.0643777300000000, -0.0368021400000000, -0.0790313600000000 ] - [ -0.0002718900000000, 0.0008505100000000, 0.0014949300000000 ] - [ -0.0003897500000000, -0.0015963200000000, 0.0043799200000000 ] - [ -0.0004112400000000, -0.0005928800000000, -0.0007278200000000 ] - [ 0.0017990200000000, 0.0011919600000000, 0.0013337700000000 ] - [ -0.0018853000000000, -0.0002012400000000, -0.0004785500000000 ] - [ 0.0014917800000000, -0.0011459200000000, 0.0005878200000000 ] - [ -0.0001668200000000, -0.0003074100000000, 0.0012932300000000 ] - [ 0.0002057400000000, -0.0000863200000000, 0.0010341500000000 ] - [ 0.0005137300000000, 0.0000690700000000, -0.0013864700000000 ] - [ 0.0015298100000000, 0.0006386100000000, -0.0011793300000000 ] - [ 0.0018272600000000, 0.0061634000000000, 0.0036057000000000 ] - [ -0.0017234700000000, -0.0018648000000000, 0.0018107000000000 ] - [ 0.0002207500000000, 0.0004762700000000, 0.0001343800000000 ] - [ -0.0000279500000000, -0.0003342600000000, -0.0000265900000000 ] - [ -0.0009937200000000, 0.0030415200000000, -0.0029597800000000 ] - [ -0.0006288600000000, -0.0011017700000000, -0.0013606500000000 ] - [ 0.0006813700000000, -0.0000696300000000, 0.0002506700000000 ] - [ -0.0089684100000000, 0.0064347000000000, 0.0091185700000000 ] - [ -0.0002809400000000, -0.0003213600000000, 0.0004963200000000 ] - [ -0.0052524000000000, 0.0003600500000000, -0.0039672200000000 ] - [ 0.0000185100000000, 0.0000898400000000, 0.0010715500000000 ] - [ -0.0003156500000000, 0.0002982300000000, -0.0002917600000000 ] - [ 0.0030629700000000, 0.0027987200000000, 0.0005424200000000 ] - [ -0.0001646500000000, -0.0002419100000000, 0.0000060500000000 ] - [ 0.0001970200000000, -0.0004760200000000, -0.0002099500000000 ] - [ 0.0001223200000000, 0.0005016200000000, 0.0001766700000000 ] - [ 0.0002621700000000, 0.0000795400000000, 0.0006647400000000 ] - [ -0.0000312000000000, 0.0001376800000000, -0.0004597400000000 ] - [ 0.0009113600000000, 0.0000174500000000, -0.0000440700000000 ] - [ 0.0006219300000000, -0.0002101900000000, 0.0000716700000000 ] - [ -0.0004491300000000, 0.0002912300000000, -0.0003107700000000 ] - [ -0.0004154700000000, -0.0000954800000000, -0.0000403600000000 ] - [ -0.0002705200000000, -0.0000836200000000, -0.0012196200000000 ] - [ -0.0000881600000000, -0.0001193900000000, 0.0001112700000000 ] - [ -0.0004091800000000, -0.0003176000000000, 0.0004289000000000 ] - [ -0.0001264300000000, 0.0008061500000000, 0.0002803600000000 ] - [ 0.0006242700000000, -0.0006532500000000, -0.0004398300000000 ] - [ 0.0002405100000000, -0.0005443900000000, -0.0018348900000000 ] - [ 0.0006273600000000, -0.0011304100000000, 0.0001547800000000 ] - [ -0.0013954900000000, -0.0024137700000000, -0.0009538400000000 ] - [ -0.0005009300000000, 0.0002546500000000, -0.0016735500000000 ] - [ 0.0020719000000000, 0.0024339600000000, -0.0027750500000000 ] - [ -0.0014242000000000, 0.0074526700000000, -0.0033219700000000 ] - [ 0.0002777300000000, -0.0001638100000000, 0.0000673700000000 ] - [ 0.0007244800000000, 0.0010153900000000, -0.0014212300000000 ] - [ 0.0010769300000000, -0.0020043900000000, 0.0024091300000000 ] - [ 0.1021924600000000, 0.0298779700000000, 0.1200161400000000 ] - [ 0.0011189800000000, -0.0020985000000000, -0.0013479100000000 ] - [ -0.0086515700000000, -0.0149148200000000, -0.0137038600000000 ] - [ -0.0001866300000000, -0.0004762500000000, -0.0008460500000000 ] - [ 0.0005511400000000, 0.0006671400000000, 0.0012319200000000 ] - [ 0.0000122700000000, -0.0009110500000000, -0.0008859900000000 ] - [ 0.0007590900000000, 0.0000783100000000, -0.0022207600000000 ] - [ 0.0008739600000000, 0.0007560100000000, -0.0011716500000000 ] - [ 0.0202409300000000, -0.0064996700000000, -0.0168988300000000 ] - [ -0.0007163400000000, 0.0002599600000000, 0.0002357200000000 ] - [ -0.0000909200000000, 0.0003355400000000, 0.0016996000000000 ] - [ -0.0000048600000000, -0.0001151400000000, 0.0002960500000000 ] - [ -0.0149464000000000, 0.0024106200000000, -0.0040858700000000 ] - [ -0.0005326000000000, 0.0004828800000000, -0.0034640100000000 ] - [ 0.0013894400000000, 0.0000879700000000, 0.0092784300000000 ] - [ 0.0001352100000000, -0.0004987600000000, -0.0005400100000000 ] - [ 0.0008596700000000, -0.0000937400000000, 0.0007364600000000 ] - [ 0.0000577800000000, -0.0000531200000000, -0.0010779000000000 ] - [ -0.0000308400000000, 0.0005673600000000, -0.0010984700000000 ] - [ -0.0020461200000000, -0.0012641600000000, -0.0010189000000000 ] - [ -0.0005760900000000, 0.0006732600000000, -0.0020470700000000 ] - [ -0.0005440700000000, -0.0004620600000000, -0.0009753300000000 ] - [ 0.0009160500000000, -0.0004597300000000, -0.0000041100000000 ] - [ 0.0024819200000000, -0.0002788500000000, 0.0029661100000000 ] - [ -0.0004738000000000, 0.0003664000000000, -0.0008328900000000 ] - [ -0.0000414700000000, 0.0011614900000000, 0.0005591500000000 ] - [ -0.0010000200000000, 0.0006238000000000, 0.0003268800000000 ] - [ -0.0026889600000000, -0.0012637600000000, -0.0003787800000000 ] - [ 0.0005767200000000, 0.0004236600000000, 0.0003436700000000 ] - [ -0.0001871700000000, -0.0004155300000000, 0.0001975300000000 ] - [ 0.0001429700000000, 0.0009825400000000, -0.0004308900000000 ] - [ -0.0001731700000000, -0.0000683300000000, 0.0002519300000000 ] - [ -0.0010840700000000, -0.0000169000000000, 0.0002669600000000 ] - [ -0.0004875100000000, -0.0002195500000000, -0.0004799500000000 ] - [ 0.0003842900000000, 0.0002744800000000, 0.0002597100000000 ] - [ -0.0000864300000000, 0.0001988100000000, 0.0000849500000000 ] - [ 0.0002463000000000, 0.0000528100000000, 0.0007511000000000 ] - [ 0.0000186100000000, 0.0006587800000000, 0.0001537200000000 ] - [ 0.0000641500000000, 0.0001128300000000, -0.0000659800000000 ] - [ -0.0009958800000000, -0.0001586300000000, -0.0003716800000000 ] - [ -0.0002420400000000, -0.0005318900000000, -0.0005871600000000 ] - [ -0.0003764800000000, 0.0002230300000000, 0.0006153100000000 ] - [ 0.0000920800000000, -0.0009194200000000, -0.0007560600000000 ] - [ -0.0005324200000000, 0.0000836200000000, 0.0003775800000000 ] - [ -0.0002600300000000, 0.0002731600000000, 0.0007858100000000 ] - [ 0.0000250000000000, 0.0000599800000000, 0.0001835800000000 ] - [ 0.0001715200000000, 0.0000646400000000, -0.0007585000000000 ] - [ -0.0007265800000000, 0.0000057700000000, -0.0006233400000000 ] - [ -0.0006100700000000, 0.0003475400000000, -0.0005818100000000 ] - [ -0.0001727900000000, -0.0001742200000000, -0.0002381100000000 ] - [ 0.0004983400000000, -0.0000430000000000, -0.0005698100000000 ] - [ -0.0000602900000000, 0.0002118500000000, 0.0004781800000000 ] - [ -0.0003126700000000, 0.0001199300000000, -0.0007115900000000 ] - [ -0.0002822400000000, -0.0000117500000000, 0.0009962400000000 ] - [ -0.0013875300000000, -0.0014484600000000, -0.0007262100000000 ] - [ 0.0000179200000000, -0.0000502600000000, 0.0009307800000000 ] - [ 0.0000048900000000, -0.0006799400000000, 0.0016370200000000 ] - [ 0.0008374200000000, -0.0004255600000000, -0.0005003100000000 ] - [ -0.0013237300000000, 0.0001681800000000, 0.0026111900000000 ] - [ 0.0002463900000000, 0.0006135200000000, 0.0005933800000000 ] - [ -0.0008949400000000, 0.0010388900000000, 0.0002411800000000 ] - [ -0.0004246300000000, 0.0000801600000000, -0.0013519000000000 ] - [ 0.0009602900000000, -0.0003816800000000, -0.0001316300000000 ] - [ -0.0063711500000000, -0.0048240100000000, -0.0070122400000000 ] - [ 0.0008305500000000, 0.0001785300000000, -0.0018242700000000 ] - [ -0.0003403500000000, -0.0007063000000000, -0.0007267800000000 ]- atom: 90 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003655300000000, -0.0003229900000000, 0.0006955200000000 ] - [ -0.0002351800000000, -0.0000801400000000, -0.0004353400000000 ] - [ 0.0000959900000000, -0.0002546300000000, 0.0003400700000000 ] - [ 0.0031697400000000, -0.0006457500000000, 0.0003835300000000 ] - [ 0.0032414300000000, 0.0008202600000000, -0.0006639600000000 ] - [ 0.0010275600000000, -0.0002915600000000, 0.0001775500000000 ] - [ 0.0000989300000000, -0.0003085000000000, 0.0003466400000000 ] - [ 0.0003408800000000, -0.0004002500000000, 0.0002631500000000 ] - [ -0.0002119700000000, -0.0002338300000000, -0.0000915100000000 ] - [ -0.0000664400000000, -0.0017245100000000, -0.0001480600000000 ] - [ 0.0002305000000000, -0.0000497300000000, -0.0002183800000000 ] - [ -0.0002770300000000, 0.0004234600000000, -0.0000847300000000 ] - [ -0.0013457000000000, 0.0002445000000000, -0.0006817900000000 ] - [ -0.0003548000000000, -0.0000198400000000, 0.0004422400000000 ] - [ -0.0009285700000000, 0.0005343800000000, -0.0004966000000000 ] - [ 0.0002407100000000, -0.0003259900000000, -0.0000117300000000 ] - [ -0.0006874200000000, -0.0004189900000000, -0.0003144600000000 ] - [ -0.0000718400000000, -0.0000943200000000, -0.0002006300000000 ] - [ -0.0010534700000000, -0.0000021000000000, -0.0002891100000000 ] - [ -0.0002881700000000, 0.0004791000000000, -0.0003083600000000 ] - [ -0.0009820100000000, 0.0004873500000000, 0.0000288300000000 ] - [ -0.0001069600000000, -0.0003059600000000, -0.0006362600000000 ] - [ 0.0015241100000000, -0.0005232700000000, -0.0004375200000000 ] - [ -0.0002278300000000, -0.0005989700000000, -0.0000790900000000 ] - [ 0.0002322000000000, -0.0007647700000000, 0.0005092100000000 ] - [ 0.0014750000000000, 0.0015338100000000, 0.0011380300000000 ] - [ 0.0048922400000000, 0.0025782500000000, -0.0024876900000000 ] - [ 0.0009146500000000, -0.0009099100000000, -0.0005223000000000 ] - [ 0.0000786200000000, 0.0000806500000000, 0.0005915900000000 ] - [ -0.0055577700000000, 0.0026243900000000, 0.0029518300000000 ] - [ -0.0000172500000000, 0.0005806500000000, -0.0001528500000000 ] - [ -0.0003225500000000, 0.0003398000000000, -0.0003881700000000 ] - [ -0.0002114500000000, -0.0002880600000000, 0.0002745000000000 ] - [ -0.0013839200000000, 0.0001978700000000, 0.0000024400000000 ] - [ -0.0023210600000000, -0.0010472600000000, 0.0006262400000000 ] - [ -0.0006007400000000, 0.0004324700000000, -0.0020154300000000 ] - [ -0.0009100100000000, -0.0006952600000000, 0.0010704500000000 ] - [ 0.0005343300000000, -0.0034110700000000, -0.0034218800000000 ] - [ 0.0005289900000000, 0.0001622800000000, -0.0012804600000000 ] - [ 0.0006041500000000, -0.0004413000000000, 0.0000902800000000 ] - [ 0.1344005500000000, 0.0957458500000000, 0.0954775100000000 ] - [ 0.0013441100000000, -0.0005591100000000, -0.0003137600000000 ] - [ -0.0009108000000000, 0.0006788900000000, -0.0005288200000000 ] - [ -0.0005690800000000, 0.0020125900000000, 0.0025559900000000 ] - [ -0.0011759900000000, -0.0009704200000000, -0.0011266900000000 ] - [ -0.0008219800000000, -0.0016493400000000, 0.0011396500000000 ] - [ -0.0043600600000000, -0.0006604400000000, 0.0001873400000000 ] - [ -0.0013904600000000, -0.0001408600000000, 0.0000748100000000 ] - [ -0.0009083800000000, -0.0001179100000000, -0.0004731300000000 ] - [ -0.0001791100000000, 0.0004788300000000, 0.0003349400000000 ] - [ -0.0006934600000000, 0.0007144500000000, 0.0000658300000000 ] - [ -0.0009047300000000, 0.0015072500000000, -0.0020195900000000 ] - [ 0.0000624400000000, -0.0011259000000000, 0.0028941500000000 ] - [ 0.0015552500000000, 0.0019836200000000, 0.0015121400000000 ] - [ 0.0003572900000000, -0.0002922000000000, -0.0005421900000000 ] - [ 0.0000783900000000, -0.0000583800000000, 0.0007942300000000 ] - [ 0.0023583500000000, 0.0008072300000000, -0.0010612400000000 ] - [ 0.0005896000000000, 0.0002163100000000, 0.0000683300000000 ] - [ 0.0019893700000000, -0.0016251200000000, 0.0034206100000000 ] - [ -0.0005172800000000, -0.0000955400000000, 0.0001205100000000 ] - [ -0.0009834000000000, 0.0008890900000000, 0.0016703700000000 ] - [ -0.0013199500000000, 0.0020957900000000, -0.0004663200000000 ] - [ -0.0000004600000000, 0.0004616800000000, -0.0001682800000000 ] - [ -0.0001317100000000, -0.0005905200000000, 0.0000584200000000 ] - [ -0.0000065700000000, -0.0008366800000000, -0.0000457700000000 ] - [ -0.0001393200000000, 0.0006071200000000, 0.0001488800000000 ] - [ 0.0000759600000000, -0.0001116800000000, 0.0006224500000000 ] - [ -0.0001196700000000, 0.0000355600000000, -0.0008091200000000 ] - [ 0.0002036700000000, -0.0000945100000000, -0.0001720700000000 ] - [ 0.0002916900000000, -0.0002262600000000, -0.0002080300000000 ] - [ -0.0007600300000000, 0.0002300200000000, -0.0001667800000000 ] - [ -0.0010817800000000, -0.0000873200000000, 0.0000237500000000 ] - [ -0.0001140100000000, 0.0000288200000000, -0.0010268900000000 ] - [ -0.0002897700000000, -0.0001923300000000, 0.0004407000000000 ] - [ -0.0003666000000000, -0.0006096300000000, 0.0002889600000000 ] - [ -0.0001294200000000, 0.0007670300000000, -0.0000059900000000 ] - [ 0.0022555500000000, -0.0020418600000000, -0.0056994800000000 ] - [ -0.0001012700000000, 0.0000442300000000, 0.0002406400000000 ] - [ 0.0021031500000000, 0.0006077300000000, 0.0043783200000000 ] - [ -0.0002119500000000, -0.0001581200000000, -0.0003717400000000 ] - [ 0.0000155200000000, -0.0031689500000000, 0.0017642900000000 ] - [ -0.0001945700000000, -0.0004172800000000, 0.0006571700000000 ] - [ 0.0002345500000000, 0.0005252400000000, -0.0008243600000000 ] - [ -0.0006664000000000, -0.0003195700000000, 0.0002115300000000 ] - [ -0.0009051200000000, 0.0007168100000000, -0.0023792800000000 ] - [ -0.0001907700000000, -0.0006006100000000, -0.0004792600000000 ] - [ -0.0001709900000000, 0.0000673600000000, -0.0003744000000000 ] - [ -0.0024739200000000, 0.0021562100000000, 0.0016314500000000 ] - [ -0.0004056900000000, 0.0006801200000000, 0.0001351200000000 ] - [ -0.1522122000000000, -0.1105578700000000, -0.1104303500000000 ] - [ -0.0007117400000000, 0.0009211200000000, 0.0012976700000000 ] - [ -0.0098942000000000, -0.0026261900000000, -0.0022100200000000 ] - [ -0.0004040400000000, 0.0000394000000000, -0.0001292100000000 ] - [ -0.0002671700000000, 0.0002839200000000, 0.0003064400000000 ] - [ 0.0002983300000000, 0.0001223500000000, 0.0006702300000000 ] - [ -0.0036156200000000, 0.0004097800000000, -0.0007595800000000 ] - [ -0.0008804900000000, -0.0003106000000000, 0.0003475900000000 ] - [ -0.0005916200000000, 0.0001867700000000, -0.0001351500000000 ] - [ -0.0000572900000000, 0.0004297400000000, -0.0000486400000000 ] - [ -0.0006957600000000, -0.0003676300000000, 0.0001344400000000 ] - [ -0.0001606500000000, 0.0001201100000000, -0.0000705300000000 ] - [ 0.0019497000000000, -0.0004655600000000, 0.0137768200000000 ] - [ 0.0006130600000000, -0.0010531500000000, 0.0009823500000000 ] - [ 0.0110179600000000, 0.0143806300000000, 0.0008663100000000 ] - [ 0.0017166200000000, -0.0020864900000000, -0.0007748100000000 ] - [ -0.0008709500000000, -0.0003850900000000, -0.0008210600000000 ] - [ -0.0007380700000000, 0.0004135000000000, -0.0006457700000000 ] - [ 0.0014300800000000, -0.0022692000000000, -0.0028374400000000 ] - [ 0.0003409500000000, 0.0007596600000000, 0.0008060400000000 ] - [ 0.0002730100000000, 0.0006538900000000, 0.0004216300000000 ] - [ 0.0004959600000000, 0.0005275200000000, -0.0008393000000000 ] - [ -0.0002130800000000, 0.0001504300000000, 0.0001199500000000 ] - [ 0.0000779600000000, -0.0000940600000000, 0.0000107300000000 ] - [ -0.0006680600000000, 0.0005437800000000, -0.0001834500000000 ] - [ 0.0009803100000000, 0.0006245400000000, 0.0003841800000000 ] - [ 0.0001188500000000, -0.0004255400000000, -0.0002025900000000 ] - [ 0.0012385200000000, 0.0015244300000000, -0.0014199300000000 ] - [ 0.0003691100000000, -0.0006147900000000, 0.0005977300000000 ] - [ 0.0004565100000000, 0.0001913600000000, -0.0009689200000000 ] - [ 0.0006509100000000, -0.0007370600000000, -0.0002463900000000 ] - [ 0.0007032300000000, 0.0004125300000000, 0.0004454900000000 ] - [ 0.0033100500000000, 0.0000421400000000, 0.0012680400000000 ] - [ 0.0006949000000000, 0.0003746000000000, 0.0005422100000000 ] - [ 0.0006697100000000, 0.0009723000000000, 0.0006171700000000 ] - [ 0.0008227200000000, -0.0001173000000000, 0.0001822800000000 ] - [ 0.0004454400000000, 0.0003769500000000, -0.0004125400000000 ] - [ 0.0005489900000000, -0.0000852100000000, 0.0001957200000000 ] - [ 0.0003400500000000, 0.0000705700000000, 0.0001009500000000 ] - [ 0.0011724800000000, -0.0004540300000000, -0.0001768800000000 ] - [ 0.0002856700000000, 0.0003386200000000, 0.0001214000000000 ] - [ 0.0004338600000000, 0.0002292700000000, 0.0002418500000000 ] - [ 0.0009648400000000, -0.0004758000000000, -0.0001950100000000 ] - [ 0.0010578500000000, -0.0000435900000000, -0.0006722800000000 ] - [ 0.0001810500000000, 0.0000888600000000, -0.0005748700000000 ] - [ 0.0009815900000000, -0.0003618900000000, -0.0003092500000000 ] - [ 0.0017622000000000, -0.0000010900000000, -0.0001713100000000 ] - [ 0.0012716200000000, 0.0005084400000000, -0.0001391500000000 ] - [ 0.0000592400000000, 0.0005791400000000, -0.0001586500000000 ] - [ 0.0005639000000000, -0.0001014600000000, 0.0001208000000000 ] - [ 0.0004115800000000, 0.0003385300000000, 0.0001360100000000 ] - [ 0.0009727900000000, 0.0000750500000000, -0.0003896100000000 ] - [ 0.0006500400000000, -0.0001411600000000, 0.0008731200000000 ] - [ 0.0000836200000000, -0.0006980800000000, 0.0008289400000000 ] - [ 0.0008840400000000, -0.0009418900000000, 0.0005295500000000 ] - [ 0.0000496700000000, -0.0001577600000000, 0.0004998900000000 ] - [ 0.0000258700000000, -0.0004733200000000, 0.0009388300000000 ] - [ 0.0002500900000000, 0.0002609000000000, -0.0002854400000000 ] - [ 0.0006154600000000, -0.0001466900000000, -0.0005882800000000 ] - [ 0.0006231800000000, 0.0012030200000000, 0.0012244600000000 ] - [ -0.0002076300000000, -0.0006197500000000, -0.0002026700000000 ] - [ 0.0037276000000000, 0.0044427100000000, 0.0011828200000000 ] - [ -0.0005567300000000, -0.0004518100000000, 0.0000067400000000 ]- atom: 90 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001032300000000, -0.0005063500000000, -0.0008482300000000 ] - [ -0.0003636200000000, 0.0001720500000000, -0.0005657400000000 ] - [ -0.0002487000000000, -0.0002148300000000, 0.0004901400000000 ] - [ -0.0021758100000000, 0.0012425000000000, -0.0003040600000000 ] - [ -0.0031672100000000, 0.0001732000000000, 0.0012493000000000 ] - [ -0.0001945900000000, 0.0004428600000000, 0.0003054800000000 ] - [ -0.0009257900000000, 0.0001569000000000, 0.0001251500000000 ] - [ -0.0004310000000000, -0.0005992200000000, 0.0003371100000000 ] - [ -0.0007882300000000, -0.0003646800000000, 0.0001797200000000 ] - [ 0.0002217600000000, 0.0021870900000000, 0.0009716400000000 ] - [ 0.0003675100000000, -0.0000415500000000, -0.0007813200000000 ] - [ -0.0001917400000000, 0.0004031000000000, -0.0000685500000000 ] - [ 0.0018149800000000, 0.0005845900000000, 0.0008321200000000 ] - [ -0.0002430500000000, -0.0000714300000000, 0.0005576500000000 ] - [ 0.0007765700000000, -0.0000632100000000, -0.0003332300000000 ] - [ 0.0007588400000000, -0.0002715000000000, -0.0000775400000000 ] - [ 0.0007769600000000, -0.0005816400000000, -0.0002829900000000 ] - [ 0.0008995300000000, -0.0000551300000000, -0.0002714300000000 ] - [ 0.0002244200000000, 0.0001547600000000, -0.0001825800000000 ] - [ 0.0001958100000000, 0.0005213400000000, -0.0002909900000000 ] - [ -0.0000207500000000, 0.0001090400000000, -0.0001181100000000 ] - [ 0.0002583000000000, -0.0001629500000000, -0.0001929300000000 ] - [ -0.0013753200000000, 0.0007477300000000, 0.0014119800000000 ] - [ -0.0002429400000000, -0.0002286600000000, 0.0002320200000000 ] - [ 0.0001905500000000, -0.0003411300000000, 0.0001304400000000 ] - [ -0.0008553000000000, -0.0019338500000000, -0.0000528400000000 ] - [ -0.0037711100000000, -0.0019320200000000, 0.0020652500000000 ] - [ -0.0020223200000000, 0.0002736900000000, 0.0000951500000000 ] - [ -0.0007135700000000, 0.0003432400000000, 0.0005159500000000 ] - [ 0.0051021100000000, -0.0014973000000000, -0.0022932000000000 ] - [ 0.0004433900000000, 0.0005262900000000, -0.0004852300000000 ] - [ 0.0009589600000000, 0.0000852100000000, -0.0007172900000000 ] - [ 0.0013161500000000, -0.0003531900000000, 0.0001491600000000 ] - [ 0.0002751800000000, 0.0004386700000000, 0.0004225400000000 ] - [ 0.0016778000000000, 0.0006256300000000, -0.0017309300000000 ] - [ 0.0001756600000000, -0.0015382900000000, 0.0013766000000000 ] - [ 0.0002354500000000, 0.0013630300000000, -0.0004001100000000 ] - [ 0.0000256300000000, 0.0039598700000000, 0.0039664800000000 ] - [ -0.0014421000000000, 0.0007482800000000, 0.0003670200000000 ] - [ -0.0011050000000000, -0.0000595000000000, 0.0004133600000000 ] - [ -0.1320333100000000, -0.0915839300000000, -0.0913475900000000 ] - [ -0.0004254100000000, -0.0003498400000000, -0.0006004300000000 ] - [ 0.0003611100000000, -0.0012244100000000, 0.0010758700000000 ] - [ 0.0012357400000000, -0.0026761700000000, -0.0018845500000000 ] - [ 0.0005105300000000, 0.0003007400000000, 0.0004575300000000 ] - [ 0.0013661900000000, 0.0010961500000000, -0.0016764400000000 ] - [ 0.0034457100000000, -0.0002472100000000, 0.0007202400000000 ] - [ 0.0008881100000000, 0.0006402800000000, -0.0005768800000000 ] - [ 0.0014077000000000, -0.0003811400000000, -0.0000280100000000 ] - [ 0.0010896700000000, 0.0004347000000000, 0.0005807800000000 ] - [ 0.0001352000000000, -0.0001665800000000, -0.0006075700000000 ] - [ 0.0015684500000000, -0.0008365900000000, 0.0013459200000000 ] - [ 0.0001271900000000, 0.0025842800000000, -0.0028598900000000 ] - [ -0.0012934400000000, -0.0029153600000000, -0.0019762300000000 ] - [ 0.0001086800000000, 0.0000023200000000, -0.0003715400000000 ] - [ -0.0001231900000000, -0.0001348900000000, 0.0006591600000000 ] - [ -0.0009131400000000, -0.0007539200000000, 0.0012501400000000 ] - [ 0.0003238600000000, 0.0002501900000000, 0.0002218100000000 ] - [ -0.0028782800000000, 0.0011623900000000, -0.0031102800000000 ] - [ -0.0009351500000000, 0.0000506900000000, 0.0000732400000000 ] - [ 0.0010357400000000, -0.0006899500000000, -0.0002143300000000 ] - [ 0.0008595000000000, -0.0018023700000000, -0.0004506000000000 ] - [ -0.0002892900000000, 0.0004519700000000, -0.0002976700000000 ] - [ -0.0000623300000000, -0.0008622200000000, -0.0000138300000000 ] - [ 0.0001996500000000, -0.0006171600000000, 0.0000011000000000 ] - [ 0.0004288000000000, 0.0003070400000000, 0.0003172200000000 ] - [ 0.0003892500000000, 0.0004003100000000, 0.0002917200000000 ] - [ 0.0000748800000000, 0.0001572900000000, -0.0006451800000000 ] - [ 0.0012489300000000, 0.0000501700000000, -0.0000211400000000 ] - [ 0.0006217900000000, -0.0002398700000000, -0.0000818600000000 ] - [ -0.0001544400000000, 0.0002362200000000, -0.0001223000000000 ] - [ -0.0003723600000000, 0.0001320900000000, -0.0002172700000000 ] - [ 0.0001581600000000, -0.0002216400000000, -0.0004270600000000 ] - [ -0.0001772500000000, -0.0000968300000000, 0.0004736900000000 ] - [ 0.0000764500000000, -0.0003041700000000, 0.0001772400000000 ] - [ -0.0000645500000000, 0.0006862400000000, -0.0000390600000000 ] - [ -0.0009822500000000, 0.0008195300000000, 0.0055675700000000 ] - [ -0.0001102600000000, 0.0005419200000000, 0.0008465800000000 ] - [ -0.0015304000000000, -0.0016980700000000, -0.0041922300000000 ] - [ -0.0000756300000000, 0.0004496400000000, 0.0000772900000000 ] - [ -0.0007768600000000, 0.0023945600000000, -0.0015360600000000 ] - [ 0.0002556800000000, 0.0004779900000000, -0.0007173300000000 ] - [ 0.0005383900000000, -0.0007564900000000, 0.0000581400000000 ] - [ 0.0012240900000000, -0.0001863800000000, -0.0012511200000000 ] - [ 0.0011434500000000, -0.0014831500000000, 0.0016034500000000 ] - [ 0.0003663300000000, -0.0006865700000000, -0.0007642600000000 ] - [ 0.0005414900000000, -0.0000208100000000, -0.0003728500000000 ] - [ 0.0013991300000000, -0.0019580800000000, -0.0010534500000000 ] - [ 0.0004487500000000, 0.0000633000000000, -0.0005092000000000 ] - [ 0.1503478200000000, 0.1061418700000000, 0.1062719000000000 ] - [ 0.0012198800000000, 0.0001158100000000, -0.0007392300000000 ] - [ 0.0091064200000000, 0.0022012100000000, 0.0021296000000000 ] - [ 0.0007159100000000, -0.0003516200000000, -0.0001844900000000 ] - [ 0.0013049500000000, 0.0002703500000000, 0.0002015700000000 ] - [ 0.0009435700000000, 0.0000534600000000, 0.0006162400000000 ] - [ 0.0023580400000000, -0.0006024800000000, 0.0020462600000000 ] - [ -0.0001581300000000, -0.0002468300000000, 0.0001592900000000 ] - [ 0.0002781900000000, 0.0001256900000000, -0.0001764700000000 ] - [ 0.0008005200000000, -0.0000565700000000, 0.0000045000000000 ] - [ 0.0001859600000000, -0.0006709300000000, 0.0004262200000000 ] - [ 0.0005342800000000, 0.0002547800000000, -0.0003055000000000 ] - [ -0.0019911200000000, -0.0002891200000000, -0.0139299600000000 ] - [ 0.0004722300000000, 0.0008432800000000, -0.0003999600000000 ] - [ -0.0111431800000000, -0.0141094100000000, -0.0015971600000000 ] - [ -0.0018959100000000, 0.0033569400000000, -0.0004639900000000 ] - [ 0.0006409900000000, 0.0011502900000000, 0.0000452600000000 ] - [ 0.0001725300000000, 0.0000915100000000, -0.0003985700000000 ] - [ -0.0021943900000000, 0.0024858800000000, 0.0020603400000000 ] - [ -0.0004058900000000, -0.0008204600000000, -0.0008661300000000 ] - [ 0.0004910100000000, 0.0001237200000000, -0.0001922100000000 ] - [ -0.0002043700000000, -0.0008147100000000, 0.0005436000000000 ] - [ -0.0003775600000000, 0.0009387700000000, 0.0000975300000000 ] - [ 0.0001314900000000, -0.0004900200000000, 0.0010736800000000 ] - [ -0.0006191400000000, 0.0006990800000000, 0.0000073900000000 ] - [ 0.0003048000000000, 0.0006189500000000, -0.0002079400000000 ] - [ -0.0003408600000000, -0.0001657300000000, -0.0008891900000000 ] - [ -0.0006551100000000, -0.0004343500000000, 0.0012068200000000 ] - [ -0.0006612500000000, 0.0003232600000000, -0.0003066700000000 ] - [ -0.0012256400000000, 0.0005899100000000, 0.0007462700000000 ] - [ -0.0005915300000000, 0.0006761200000000, 0.0003068100000000 ] - [ 0.0000764400000000, -0.0001884100000000, 0.0003240000000000 ] - [ -0.0027488000000000, 0.0004643700000000, -0.0002318700000000 ] - [ -0.0004616000000000, 0.0003895700000000, 0.0002296400000000 ] - [ -0.0004922900000000, 0.0003135200000000, 0.0006252600000000 ] - [ -0.0004463700000000, 0.0000796100000000, 0.0005612200000000 ] - [ -0.0015300900000000, -0.0005863100000000, -0.0001736700000000 ] - [ -0.0005040900000000, -0.0006574200000000, 0.0001773700000000 ] - [ -0.0007156400000000, 0.0003051900000000, 0.0002737300000000 ] - [ -0.0006612200000000, -0.0005767700000000, -0.0003736600000000 ] - [ -0.0010282900000000, 0.0000395800000000, -0.0000850900000000 ] - [ -0.0001197300000000, 0.0000838300000000, 0.0000711100000000 ] - [ 0.0000814200000000, -0.0000879500000000, -0.0003082700000000 ] - [ 0.0001854800000000, -0.0001342100000000, -0.0006116600000000 ] - [ -0.0014227200000000, 0.0000857200000000, -0.0007105700000000 ] - [ -0.0020238500000000, 0.0009181300000000, -0.0001940700000000 ] - [ -0.0020772400000000, -0.0003097100000000, 0.0004845900000000 ] - [ -0.0005277700000000, -0.0008849500000000, 0.0001790500000000 ] - [ -0.0005682400000000, 0.0004577400000000, -0.0004005900000000 ] - [ -0.0001884700000000, -0.0002739600000000, 0.0002543700000000 ] - [ -0.0004604300000000, 0.0004091300000000, 0.0002319100000000 ] - [ 0.0001152100000000, 0.0001303400000000, -0.0001904100000000 ] - [ -0.0010222800000000, 0.0001831800000000, -0.0001289300000000 ] - [ -0.0002591200000000, -0.0005881000000000, 0.0004134200000000 ] - [ -0.0011122500000000, 0.0001760500000000, 0.0002458100000000 ] - [ -0.0006055800000000, -0.0003531200000000, 0.0005330200000000 ] - [ -0.0008010000000000, 0.0002477900000000, -0.0001713700000000 ] - [ -0.0003086800000000, -0.0002024300000000, 0.0003446300000000 ] - [ 0.0001538000000000, -0.0006330300000000, 0.0003648700000000 ] - [ -0.0003315300000000, -0.0009119600000000, -0.0009318300000000 ] - [ -0.0003748800000000, -0.0004682300000000, -0.0000065000000000 ] - [ -0.0035384900000000, -0.0038837100000000, -0.0022810700000000 ] - [ -0.0007278700000000, -0.0007909800000000, 0.0001703000000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002374100000000, -0.0002739500000000, 0.0000878200000000 ] - [ -0.0004738500000000, -0.0001004400000000, 0.0005022200000000 ] - [ 0.0000765700000000, -0.0002483800000000, 0.0005503600000000 ] - [ 0.0032132400000000, 0.0019177700000000, -0.0004946000000000 ] - [ 0.0003593600000000, 0.0005684000000000, 0.0003026600000000 ] - [ 0.0008840000000000, 0.0000908600000000, 0.0001868100000000 ] - [ 0.0002342200000000, 0.0006582300000000, 0.0006337900000000 ] - [ 0.0037100600000000, -0.0006434300000000, 0.0013623200000000 ] - [ -0.0002068100000000, -0.0003869600000000, 0.0001111700000000 ] - [ 0.0003874900000000, 0.0025048900000000, 0.0006644200000000 ] - [ 0.0003091700000000, -0.0000189700000000, -0.0004314200000000 ] - [ -0.0016634200000000, 0.0000722700000000, 0.0016052300000000 ] - [ 0.0001852800000000, 0.0004695500000000, 0.0000859300000000 ] - [ -0.0004167300000000, -0.0000110500000000, 0.0002742700000000 ] - [ -0.0006824400000000, -0.0002342100000000, -0.0003959100000000 ] - [ 0.0002531100000000, -0.0003165700000000, -0.0000354000000000 ] - [ -0.0002038800000000, -0.0004505200000000, -0.0003039100000000 ] - [ -0.0001094700000000, 0.0000133800000000, -0.0001912100000000 ] - [ -0.0008856800000000, 0.0001209400000000, -0.0003179400000000 ] - [ -0.0008206700000000, 0.0004171500000000, -0.0003228800000000 ] - [ -0.0011345800000000, 0.0001591300000000, -0.0001535300000000 ] - [ -0.0000838000000000, -0.0001981700000000, -0.0002445500000000 ] - [ 0.0003022500000000, 0.0002700700000000, 0.0004208000000000 ] - [ -0.0000363300000000, -0.0004820700000000, -0.0006015400000000 ] - [ 0.0001442500000000, -0.0009739900000000, 0.0018877800000000 ] - [ 0.0019532000000000, -0.0012510700000000, -0.0005189800000000 ] - [ 0.0019377600000000, 0.0006416600000000, 0.0001536100000000 ] - [ 0.0017179000000000, -0.0029505100000000, 0.0012146700000000 ] - [ 0.0000664000000000, 0.0004728700000000, 0.0005886300000000 ] - [ -0.0003044100000000, 0.0005321100000000, 0.0000943400000000 ] - [ -0.0057240000000000, -0.0013231900000000, -0.0052575500000000 ] - [ -0.0002765800000000, 0.0001973300000000, -0.0005489000000000 ] - [ -0.0002238600000000, -0.0003734400000000, 0.0004139300000000 ] - [ -0.0015945500000000, 0.0002012900000000, 0.0002892900000000 ] - [ -0.0020861200000000, 0.0006526400000000, -0.0012059800000000 ] - [ -0.0002785700000000, -0.0004230600000000, -0.0005134500000000 ] - [ -0.0009200000000000, 0.0030040700000000, 0.0029783200000000 ] - [ 0.0009583700000000, 0.0011958100000000, -0.0015008400000000 ] - [ 0.0001322700000000, 0.0006925800000000, -0.0002218700000000 ] - [ 0.0007153900000000, -0.0000870500000000, 0.0013018500000000 ] - [ 0.0013714000000000, 0.0004840100000000, 0.0001888200000000 ] - [ 0.1269513300000000, -0.0854420900000000, -0.0856127400000000 ] - [ 0.0000630500000000, -0.0027543500000000, -0.0008436700000000 ] - [ 0.0000248900000000, -0.0011008100000000, 0.0007289400000000 ] - [ -0.0001877100000000, 0.0010375900000000, -0.0021235000000000 ] - [ -0.0008400200000000, 0.0005177900000000, 0.0005668500000000 ] - [ -0.0013853700000000, 0.0000786400000000, 0.0003285100000000 ] - [ -0.0044883500000000, 0.0002333400000000, 0.0002040500000000 ] - [ -0.0003980500000000, -0.0001696800000000, -0.0001512400000000 ] - [ -0.0005018200000000, 0.0004676900000000, 0.0004758700000000 ] - [ -0.0015403100000000, -0.0016840000000000, 0.0010918500000000 ] - [ 0.0008498200000000, -0.0003182500000000, -0.0006910900000000 ] - [ -0.0000440400000000, 0.0012410200000000, -0.0001154700000000 ] - [ 0.0004672300000000, -0.0003699200000000, -0.0003195200000000 ] - [ 0.0004095900000000, -0.0005187400000000, -0.0002869000000000 ] - [ 0.0002934200000000, 0.0001791500000000, 0.0014542100000000 ] - [ 0.0009951200000000, 0.0000420500000000, 0.0000256200000000 ] - [ 0.0008081700000000, -0.0000916900000000, 0.0003771300000000 ] - [ -0.0003551600000000, -0.0001397900000000, 0.0001605800000000 ] - [ -0.0002236100000000, 0.0001501100000000, -0.0001597000000000 ] - [ 0.0001144400000000, 0.0000670200000000, 0.0011990900000000 ] - [ 0.0001603800000000, -0.0001715100000000, -0.0009700700000000 ] - [ -0.0000213500000000, 0.0005876800000000, 0.0000626700000000 ] - [ -0.0001208200000000, -0.0008459800000000, 0.0002019500000000 ] - [ 0.0001133200000000, -0.0005871600000000, -0.0000629400000000 ] - [ -0.0000102100000000, 0.0004892700000000, 0.0001909400000000 ] - [ -0.0004557500000000, 0.0000011200000000, 0.0007549800000000 ] - [ -0.0005834700000000, 0.0002957600000000, -0.0007942000000000 ] - [ 0.0004642800000000, -0.0000885900000000, -0.0001513500000000 ] - [ -0.0000692200000000, -0.0004142900000000, -0.0006782800000000 ] - [ -0.0005677700000000, 0.0002529800000000, -0.0001036500000000 ] - [ -0.0018471800000000, -0.0002475000000000, 0.0003259800000000 ] - [ -0.0000155800000000, -0.0000882800000000, -0.0007418200000000 ] - [ -0.0003049400000000, -0.0001965500000000, 0.0004855200000000 ] - [ -0.0014792100000000, 0.0004534300000000, 0.0003042800000000 ] - [ -0.0004993500000000, -0.0008701100000000, -0.0002328300000000 ] - [ 0.0005812600000000, -0.0010407800000000, 0.0000511900000000 ] - [ 0.0004349300000000, 0.0022026800000000, 0.0001329100000000 ] - [ 0.0000975400000000, -0.0009643100000000, 0.0004490200000000 ] - [ -0.0003278400000000, 0.0006119200000000, -0.0006094700000000 ] - [ -0.0008450500000000, -0.0003975600000000, 0.0001586900000000 ] - [ -0.0002969100000000, 0.0002076300000000, 0.0001262700000000 ] - [ 0.0006498700000000, -0.0007651400000000, -0.0022325000000000 ] - [ -0.0000028000000000, -0.0002950600000000, -0.0005003200000000 ] - [ -0.0003393300000000, -0.0020348500000000, -0.0012538000000000 ] - [ -0.0002790400000000, -0.0006100100000000, -0.0012413200000000 ] - [ -0.0006299700000000, -0.0000102800000000, -0.0009735800000000 ] - [ -0.0017750100000000, 0.0002735000000000, 0.0012187600000000 ] - [ -0.0007691300000000, 0.0004862800000000, -0.0010779700000000 ] - [ -0.0007474600000000, -0.0005145800000000, -0.0001585800000000 ] - [ -0.0000855500000000, 0.0003571800000000, 0.0000079500000000 ] - [ -0.0010023000000000, -0.0002127600000000, 0.0001057300000000 ] - [ -0.1370381500000000, 0.0971540700000000, 0.0970202200000000 ] - [ -0.0075837700000000, -0.0015963100000000, 0.0004935400000000 ] - [ -0.0010418100000000, 0.0002401100000000, 0.0008135700000000 ] - [ -0.0009463800000000, -0.0002773100000000, 0.0006341900000000 ] - [ -0.0008923300000000, -0.0006037700000000, 0.0001858500000000 ] - [ -0.0004176200000000, 0.0001746500000000, -0.0002660000000000 ] - [ -0.0000804900000000, 0.0001909700000000, -0.0005413100000000 ] - [ -0.0031367600000000, -0.0012742900000000, -0.0084998500000000 ] - [ -0.0002457200000000, 0.0002158800000000, -0.0003422100000000 ] - [ -0.0006227200000000, -0.0001376400000000, 0.0000394800000000 ] - [ -0.0005077600000000, 0.0005473300000000, 0.0004620600000000 ] - [ -0.0007028100000000, -0.0003640500000000, -0.0002201000000000 ] - [ -0.0002614000000000, 0.0022055900000000, -0.0007943700000000 ] - [ 0.0000241300000000, 0.0009666700000000, -0.0007075500000000 ] - [ 0.0131347100000000, -0.0103117300000000, -0.0051065500000000 ] - [ -0.0003909400000000, 0.0004475500000000, -0.0006282200000000 ] - [ -0.0000868100000000, -0.0006069200000000, 0.0005018100000000 ] - [ -0.0000504600000000, 0.0002827600000000, 0.0005195900000000 ] - [ 0.0006876300000000, -0.0010885800000000, -0.0010856400000000 ] - [ 0.0003330600000000, 0.0024260100000000, 0.0019756600000000 ] - [ 0.0002158700000000, -0.0004942400000000, 0.0001764100000000 ] - [ -0.0005356900000000, 0.0006319900000000, -0.0005884000000000 ] - [ 0.0006997700000000, 0.0004960600000000, 0.0001555100000000 ] - [ 0.0000871400000000, 0.0001515900000000, 0.0000640000000000 ] - [ 0.0005260600000000, 0.0001581700000000, -0.0001584800000000 ] - [ 0.0000855800000000, 0.0004085300000000, 0.0002644900000000 ] - [ -0.0000035500000000, 0.0006179000000000, -0.0003627000000000 ] - [ 0.0004026400000000, 0.0004270000000000, -0.0003090800000000 ] - [ 0.0012740800000000, -0.0011894900000000, 0.0018267300000000 ] - [ 0.0008786800000000, 0.0002424900000000, 0.0007231400000000 ] - [ 0.0007057500000000, -0.0001872600000000, 0.0007624000000000 ] - [ 0.0013035500000000, 0.0002758200000000, 0.0004954400000000 ] - [ 0.0031911900000000, 0.0003903800000000, -0.0000485500000000 ] - [ 0.0001491400000000, -0.0000637500000000, -0.0004550500000000 ] - [ 0.0015657100000000, -0.0001024600000000, 0.0001035000000000 ] - [ 0.0000891900000000, 0.0001024300000000, 0.0001162000000000 ] - [ 0.0005942900000000, -0.0006371400000000, -0.0003387700000000 ] - [ 0.0000200600000000, 0.0002612700000000, -0.0000051200000000 ] - [ 0.0006240500000000, 0.0002675700000000, 0.0002653200000000 ] - [ 0.0009470000000000, -0.0004787700000000, -0.0002648200000000 ] - [ 0.0018726900000000, 0.0001492300000000, -0.0005792500000000 ] - [ -0.0002682600000000, 0.0000808200000000, -0.0006142500000000 ] - [ 0.0002178200000000, -0.0003157100000000, -0.0002024600000000 ] - [ 0.0001965800000000, -0.0002642700000000, 0.0001735800000000 ] - [ 0.0024358900000000, 0.0000500000000000, -0.0003903300000000 ] - [ 0.0001909600000000, 0.0006184700000000, -0.0002025200000000 ] - [ 0.0021068500000000, -0.0002103500000000, 0.0003829700000000 ] - [ 0.0002931200000000, 0.0003870500000000, 0.0000658200000000 ] - [ 0.0016519700000000, 0.0006084400000000, -0.0004338200000000 ] - [ 0.0001198800000000, -0.0000898600000000, 0.0003889000000000 ] - [ 0.0000457100000000, -0.0006026700000000, 0.0005546000000000 ] - [ 0.0004232100000000, 0.0006248500000000, 0.0008811400000000 ] - [ 0.0002966600000000, -0.0001940600000000, 0.0001379400000000 ] - [ -0.0003657500000000, 0.0000181700000000, 0.0005028400000000 ] - [ 0.0003904600000000, -0.0006636800000000, -0.0006945700000000 ] - [ 0.0024556100000000, -0.0022124100000000, -0.0015323400000000 ] - [ 0.0001394500000000, -0.0000733100000000, 0.0005848200000000 ] - [ 0.0005572300000000, 0.0005230000000000, -0.0011972400000000 ] - [ 0.0004550400000000, -0.0006463700000000, 0.0006586200000000 ] - [ 0.0023284400000000, 0.0004644000000000, 0.0028975000000000 ]- atom: 93 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002345700000000, -0.0005565500000000, -0.0002409800000000 ] - [ -0.0005117900000000, 0.0000681400000000, -0.0014517600000000 ] - [ -0.0002289800000000, -0.0002228100000000, 0.0002792900000000 ] - [ -0.0022259000000000, -0.0013071500000000, 0.0005926000000000 ] - [ -0.0002685000000000, 0.0004313200000000, 0.0002969900000000 ] - [ -0.0000529500000000, 0.0000582400000000, 0.0002876500000000 ] - [ -0.0010624400000000, -0.0008132800000000, -0.0001731400000000 ] - [ -0.0038164200000000, -0.0003467400000000, -0.0007423100000000 ] - [ -0.0007924800000000, -0.0002111300000000, -0.0000246100000000 ] - [ -0.0002209100000000, -0.0020238900000000, 0.0001721500000000 ] - [ 0.0002905700000000, -0.0000715000000000, -0.0005700600000000 ] - [ 0.0012008600000000, 0.0007522000000000, -0.0017454200000000 ] - [ 0.0002869000000000, 0.0003598800000000, 0.0000678900000000 ] - [ -0.0001797600000000, -0.0000791100000000, 0.0007231900000000 ] - [ 0.0005322800000000, 0.0007017900000000, -0.0004327500000000 ] - [ 0.0007475400000000, -0.0002806200000000, -0.0000542500000000 ] - [ 0.0002946400000000, -0.0005492200000000, -0.0002951300000000 ] - [ 0.0009396300000000, -0.0001646000000000, -0.0002819600000000 ] - [ 0.0000578700000000, 0.0000301200000000, -0.0001541900000000 ] - [ 0.0007297200000000, 0.0005835900000000, -0.0002788700000000 ] - [ 0.0001327800000000, 0.0004408400000000, 0.0000661000000000 ] - [ 0.0002355600000000, -0.0002732800000000, -0.0005865900000000 ] - [ 0.0002939800000000, -0.0001811000000000, 0.0005812900000000 ] - [ -0.0004379700000000, -0.0003460300000000, 0.0007558600000000 ] - [ 0.0002780800000000, -0.0001298200000000, -0.0012540800000000 ] - [ -0.0013441700000000, 0.0008068000000000, 0.0016360500000000 ] - [ -0.0008352100000000, -0.0000040300000000, -0.0005767300000000 ] - [ -0.0028268800000000, 0.0023190200000000, -0.0016604800000000 ] - [ -0.0007013400000000, -0.0000469000000000, 0.0005152700000000 ] - [ -0.0001160800000000, 0.0005736700000000, 0.0005451600000000 ] - [ 0.0061174100000000, 0.0024080400000000, 0.0045728500000000 ] - [ 0.0009150700000000, 0.0002251700000000, -0.0005588500000000 ] - [ 0.0013285200000000, -0.0002645000000000, 0.0000114500000000 ] - [ 0.0004867600000000, 0.0004410200000000, 0.0001389200000000 ] - [ 0.0014493800000000, -0.0010842000000000, 0.0001018300000000 ] - [ -0.0001448800000000, -0.0006835200000000, -0.0001275500000000 ] - [ 0.0002594400000000, -0.0023478600000000, -0.0023205200000000 ] - [ -0.0004218800000000, -0.0006466500000000, 0.0020567100000000 ] - [ -0.0010452200000000, 0.0002164300000000, -0.0006940100000000 ] - [ -0.0012158800000000, -0.0004131300000000, -0.0008066500000000 ] - [ -0.0008654200000000, 0.0000098600000000, 0.0003127200000000 ] - [ -0.1242061000000000, 0.0811209900000000, 0.0813266600000000 ] - [ -0.0006059100000000, 0.0021989600000000, 0.0013893000000000 ] - [ 0.0006520800000000, 0.0004333200000000, -0.0000591500000000 ] - [ -0.0004727100000000, -0.0016981700000000, 0.0014418500000000 ] - [ 0.0013951700000000, -0.0010666600000000, -0.0011149000000000 ] - [ 0.0004750100000000, -0.0009915500000000, 0.0005872300000000 ] - [ 0.0039825200000000, 0.0002660400000000, -0.0006987100000000 ] - [ 0.0008987500000000, -0.0003318100000000, -0.0003522200000000 ] - [ 0.0014145000000000, 0.0004440300000000, 0.0004373700000000 ] - [ 0.0009866400000000, 0.0022408700000000, -0.0016358100000000 ] - [ -0.0001936300000000, 0.0009935200000000, 0.0000192000000000 ] - [ 0.0002387800000000, 0.0002092700000000, 0.0001616600000000 ] - [ -0.0001804700000000, -0.0005457100000000, -0.0001453500000000 ] - [ 0.0000559600000000, 0.0002299800000000, -0.0006276000000000 ] - [ -0.0003391000000000, -0.0003740200000000, -0.0000051400000000 ] - [ 0.0004564900000000, 0.0000009200000000, 0.0001674200000000 ] - [ 0.0001013600000000, 0.0005592100000000, -0.0000852300000000 ] - [ -0.0005559600000000, -0.0003292100000000, 0.0001298400000000 ] - [ -0.0012213800000000, -0.0001949500000000, 0.0003528300000000 ] - [ -0.0000683200000000, 0.0001287500000000, 0.0002510500000000 ] - [ -0.0006257100000000, 0.0004635200000000, 0.0000576800000000 ] - [ -0.0002683000000000, 0.0003249800000000, -0.0005301100000000 ] - [ -0.0000718200000000, -0.0006062100000000, -0.0001584400000000 ] - [ 0.0000816300000000, -0.0008641400000000, 0.0000174000000000 ] - [ 0.0003006400000000, 0.0004239500000000, 0.0002751200000000 ] - [ 0.0009186500000000, 0.0002901500000000, 0.0001606700000000 ] - [ 0.0005357400000000, -0.0001000200000000, -0.0006595700000000 ] - [ 0.0009895200000000, 0.0000436000000000, -0.0000420200000000 ] - [ 0.0009818800000000, -0.0000529800000000, 0.0003862200000000 ] - [ -0.0003455400000000, 0.0002130100000000, -0.0001863700000000 ] - [ 0.0003961300000000, 0.0002921000000000, -0.0005204400000000 ] - [ 0.0000603800000000, -0.0001046100000000, -0.0007122700000000 ] - [ -0.0001610000000000, -0.0000928300000000, 0.0004278600000000 ] - [ 0.0011911000000000, -0.0013657200000000, 0.0001651500000000 ] - [ 0.0003053100000000, 0.0023258700000000, 0.0001886800000000 ] - [ 0.0007074400000000, -0.0001971800000000, -0.0002300800000000 ] - [ -0.0006440900000000, -0.0016204900000000, 0.0009417800000000 ] - [ 0.0005060800000000, -0.0001242100000000, -0.0002113600000000 ] - [ 0.0000485300000000, -0.0003311500000000, 0.0003258800000000 ] - [ 0.0000887800000000, -0.0003841400000000, 0.0000700900000000 ] - [ 0.0003691500000000, -0.0001415300000000, -0.0001898400000000 ] - [ 0.0001434500000000, 0.0005550900000000, 0.0014727300000000 ] - [ 0.0005658300000000, -0.0001937300000000, -0.0005630000000000 ] - [ 0.0005669800000000, 0.0012823000000000, 0.0004731300000000 ] - [ 0.0004567600000000, -0.0006742500000000, 0.0000047300000000 ] - [ 0.0010211900000000, 0.0000293700000000, 0.0002317600000000 ] - [ 0.0007033200000000, -0.0000536400000000, -0.0006216700000000 ] - [ 0.0007979100000000, 0.0002583700000000, 0.0007009800000000 ] - [ 0.0003658900000000, 0.0001341600000000, -0.0002240000000000 ] - [ 0.0005864100000000, 0.0006887300000000, 0.0005451400000000 ] - [ 0.0002554500000000, -0.0001530200000000, -0.0001443200000000 ] - [ 0.1357016100000000, -0.0937081000000000, -0.0938460600000000 ] - [ 0.0085659300000000, 0.0021659800000000, 0.0000304700000000 ] - [ 0.0022804800000000, -0.0000567800000000, 0.0004629300000000 ] - [ -0.0002960700000000, 0.0001060100000000, 0.0006526600000000 ] - [ -0.0001483800000000, 0.0000573200000000, 0.0003163900000000 ] - [ 0.0001095100000000, 0.0001349500000000, -0.0000407800000000 ] - [ 0.0008300900000000, 0.0001801800000000, 0.0005081800000000 ] - [ 0.0025823700000000, 0.0002291100000000, 0.0089787500000000 ] - [ 0.0006309600000000, 0.0001680600000000, -0.0000422600000000 ] - [ 0.0005863100000000, -0.0006085100000000, -0.0004163600000000 ] - [ 0.0015839900000000, -0.0007642800000000, 0.0001251600000000 ] - [ 0.0003105600000000, 0.0003474200000000, -0.0005223500000000 ] - [ 0.0000782500000000, -0.0009208900000000, -0.0004460600000000 ] - [ -0.0002469700000000, -0.0002030400000000, -0.0000784100000000 ] - [ -0.0133439600000000, 0.0105673200000000, 0.0039813400000000 ] - [ -0.0004081700000000, -0.0002382000000000, -0.0001413100000000 ] - [ 0.0000160000000000, 0.0005355400000000, -0.0005678400000000 ] - [ 0.0008060200000000, 0.0004990200000000, -0.0002868900000000 ] - [ -0.0004119700000000, 0.0008063100000000, 0.0008007100000000 ] - [ -0.0009248400000000, -0.0013381000000000, -0.0017499100000000 ] - [ -0.0000040500000000, -0.0000927100000000, 0.0009014300000000 ] - [ -0.0007511500000000, 0.0006091200000000, 0.0004157400000000 ] - [ 0.0005854300000000, 0.0007449000000000, 0.0000209700000000 ] - [ -0.0003124100000000, -0.0007431900000000, -0.0011434200000000 ] - [ 0.0000740700000000, 0.0009314000000000, -0.0000803400000000 ] - [ -0.0003683000000000, -0.0006886600000000, 0.0000179400000000 ] - [ -0.0007654100000000, 0.0001690300000000, 0.0001436700000000 ] - [ -0.0003393900000000, -0.0004924700000000, 0.0003736400000000 ] - [ -0.0004852200000000, 0.0014039700000000, -0.0010503300000000 ] - [ -0.0003181300000000, 0.0002460700000000, 0.0003395500000000 ] - [ -0.0004812400000000, 0.0009474300000000, 0.0000263700000000 ] - [ -0.0011215800000000, 0.0010048400000000, 0.0007448800000000 ] - [ -0.0028070000000000, -0.0004187300000000, 0.0007964600000000 ] - [ -0.0012361700000000, -0.0001658100000000, -0.0001405200000000 ] - [ -0.0015353000000000, -0.0006433800000000, 0.0002715800000000 ] - [ -0.0004712700000000, 0.0002798400000000, 0.0002676100000000 ] - [ -0.0000942300000000, -0.0004088300000000, -0.0002148300000000 ] - [ -0.0007657100000000, 0.0001177300000000, 0.0000360400000000 ] - [ -0.0003162600000000, 0.0000402000000000, 0.0000436300000000 ] - [ 0.0001026400000000, -0.0000753100000000, -0.0002317200000000 ] - [ -0.0006313500000000, -0.0003255000000000, -0.0007028200000000 ] - [ -0.0009727600000000, 0.0000961400000000, -0.0006699200000000 ] - [ -0.0012718400000000, 0.0008751500000000, -0.0002932000000000 ] - [ -0.0005030400000000, -0.0000435600000000, 0.0001332900000000 ] - [ -0.0016905500000000, -0.0004271700000000, 0.0004158100000000 ] - [ -0.0006862000000000, 0.0004351100000000, -0.0003564400000000 ] - [ -0.0017263500000000, -0.0001738400000000, -0.0000015700000000 ] - [ -0.0003259500000000, 0.0003606300000000, 0.0003104500000000 ] - [ -0.0005686500000000, -0.0003916400000000, -0.0001567400000000 ] - [ -0.0005061200000000, 0.0001113400000000, 0.0003543700000000 ] - [ -0.0002207800000000, -0.0006840400000000, 0.0006877800000000 ] - [ -0.0006360900000000, -0.0013989300000000, -0.0000938300000000 ] - [ -0.0008580300000000, -0.0002976000000000, 0.0009240100000000 ] - [ -0.0004269500000000, -0.0002302800000000, 0.0002691700000000 ] - [ -0.0004561300000000, 0.0007318400000000, 0.0007616700000000 ] - [ -0.0016923300000000, 0.0014303200000000, 0.0013188600000000 ] - [ 0.0001473800000000, 0.0003573400000000, -0.0003022400000000 ] - [ -0.0011563200000000, -0.0016182500000000, 0.0009643100000000 ] - [ -0.0002252400000000, 0.0012450000000000, -0.0017498700000000 ] - [ -0.0036216200000000, -0.0017144700000000, -0.0027446500000000 ]