# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ff8ada9b-7384-4d57-a088-35edeeeb2750/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 HgSeO4 / Pmn2_1 (31) / materials id 10796](https://mdr.nims.go.jp/datasets/7ecfab5e-d4c1-4ede-96be-8f3d36cce245) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.763527030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.940910260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.036825770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.699823500000000, 0.308008050000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.300176500000000, 0.808008050000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.329935190000000, 0.920698410000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.670064810000000, 0.420698410000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.693248700000000, 0.812892610000000, 0.830163340000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.806751300000000, 0.187107390000000, 0.330163340000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.193248700000000, 0.187107390000000, 0.330163340000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.306751300000000, 0.812892610000000, 0.830163340000000 ] mass: 15.999400 - symbol: Se # 9 coordinates: [ 0.500000000000000, 0.661367400000000, 0.980153210000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.000000000000000, 0.338632600000000, 0.480153210000000 ] mass: 78.960000 - symbol: Hg # 11 coordinates: [ 0.500000000000000, 0.145688820000000, 0.502613640000000 ] mass: 200.590000 - symbol: Hg # 12 coordinates: [ 0.000000000000000, 0.854311180000000, 0.002613640000000 ] mass: 200.590000 reciprocal_lattice: # without 2pi - [ 0.147851852378862, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.202391856434972, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.198537738977618 ] # c*unit_cell: lattice: - [ 6.763527030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.940910260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.036825770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.699823500000000, 0.308008050000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.300176500000000, 0.808008050000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.329935190000000, 0.920698410000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.670064810000000, 0.420698410000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.693248700000000, 0.812892610000000, 0.830163340000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.806751300000000, 0.187107390000000, 0.330163340000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.193248700000000, 0.187107390000000, 0.330163340000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.306751300000000, 0.812892610000000, 0.830163340000000 ] mass: 15.999400 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.500000000000000, 0.661367400000000, 0.980153210000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.000000000000000, 0.338632600000000, 0.480153210000000 ] mass: 78.960000 reduced_to: 10 - symbol: Hg # 11 coordinates: [ 0.500000000000000, 0.145688820000000, 0.502613640000000 ] mass: 200.590000 reduced_to: 11 - symbol: Hg # 12 coordinates: [ 0.000000000000000, 0.854311180000000, 0.002613640000000 ] mass: 200.590000 reduced_to: 12supercell: lattice: - [ 13.527054059999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.822730780000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.073651540000000 ] # c points: - symbol: O # 1 coordinates: [ 0.250000000000000, 0.233274500000000, 0.154004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.750000000000000, 0.233274500000000, 0.154004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.250000000000000, 0.566607833333333, 0.154004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.750000000000000, 0.566607833333333, 0.154004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.250000000000000, 0.899941166666667, 0.154004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.750000000000000, 0.899941166666667, 0.154004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.250000000000000, 0.233274500000000, 0.654004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.750000000000000, 0.233274500000000, 0.654004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.250000000000000, 0.566607833333333, 0.654004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.750000000000000, 0.566607833333333, 0.654004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.250000000000000, 0.899941166666667, 0.654004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.750000000000000, 0.899941166666667, 0.654004025000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.100058833333333, 0.404004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.100058833333333, 0.404004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.433392166666667, 0.404004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.500000000000000, 0.433392166666667, 0.404004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.766725500000000, 0.404004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.766725500000000, 0.404004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.100058833333333, 0.904004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.100058833333333, 0.904004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.433392166666667, 0.904004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.433392166666667, 0.904004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.766725500000000, 0.904004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.766725500000000, 0.904004025000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 25 coordinates: [ 0.250000000000000, 0.109978396666667, 0.460349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.750000000000000, 0.109978396666667, 0.460349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.250000000000000, 0.443311730000000, 0.460349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.750000000000000, 0.443311730000000, 0.460349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.250000000000000, 0.776645063333333, 0.460349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.750000000000000, 0.776645063333333, 0.460349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.250000000000000, 0.109978396666667, 0.960349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 32 coordinates: [ 0.750000000000000, 0.109978396666667, 0.960349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 33 coordinates: [ 0.250000000000000, 0.443311730000000, 0.960349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 34 coordinates: [ 0.750000000000000, 0.443311730000000, 0.960349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 35 coordinates: [ 0.250000000000000, 0.776645063333333, 0.960349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 36 coordinates: [ 0.750000000000000, 0.776645063333333, 0.960349205000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.223354936666667, 0.210349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.223354936666667, 0.210349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.556688270000000, 0.210349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.556688270000000, 0.210349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.890021603333333, 0.210349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.500000000000000, 0.890021603333333, 0.210349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.223354936666667, 0.710349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.223354936666667, 0.710349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.556688270000000, 0.710349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.556688270000000, 0.710349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.890021603333333, 0.710349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.890021603333333, 0.710349205000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 49 coordinates: [ 0.346624350000000, 0.270964203333333, 0.415081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.846624350000000, 0.270964203333333, 0.415081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.346624350000000, 0.604297536666667, 0.415081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.846624350000000, 0.604297536666667, 0.415081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.346624350000000, 0.937630870000000, 0.415081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.846624350000000, 0.937630870000000, 0.415081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.346624350000000, 0.270964203333333, 0.915081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.846624350000000, 0.270964203333333, 0.915081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.346624350000000, 0.604297536666667, 0.915081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 58 coordinates: [ 0.846624350000000, 0.604297536666667, 0.915081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 59 coordinates: [ 0.346624350000000, 0.937630870000000, 0.915081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 60 coordinates: [ 0.846624350000000, 0.937630870000000, 0.915081670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 61 coordinates: [ 0.403375650000000, 0.062369130000000, 0.165081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.903375650000000, 0.062369130000000, 0.165081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.403375650000000, 0.395702463333333, 0.165081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.903375650000000, 0.395702463333333, 0.165081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.403375650000000, 0.729035796666667, 0.165081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.903375650000000, 0.729035796666667, 0.165081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.403375650000000, 0.062369130000000, 0.665081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 68 coordinates: [ 0.903375650000000, 0.062369130000000, 0.665081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 69 coordinates: [ 0.403375650000000, 0.395702463333333, 0.665081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 70 coordinates: [ 0.903375650000000, 0.395702463333333, 0.665081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 71 coordinates: [ 0.403375650000000, 0.729035796666667, 0.665081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 72 coordinates: [ 0.903375650000000, 0.729035796666667, 0.665081670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 73 coordinates: [ 0.096624350000000, 0.062369130000000, 0.165081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.596624350000000, 0.062369130000000, 0.165081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.096624350000000, 0.395702463333333, 0.165081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.596624350000000, 0.395702463333333, 0.165081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.096624350000000, 0.729035796666667, 0.165081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.596624350000000, 0.729035796666667, 0.165081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.096624350000000, 0.062369130000000, 0.665081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.596624350000000, 0.062369130000000, 0.665081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.096624350000000, 0.395702463333333, 0.665081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 82 coordinates: [ 0.596624350000000, 0.395702463333333, 0.665081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 83 coordinates: [ 0.096624350000000, 0.729035796666667, 0.665081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 84 coordinates: [ 0.596624350000000, 0.729035796666667, 0.665081670000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 85 coordinates: [ 0.153375650000000, 0.270964203333333, 0.415081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.653375650000000, 0.270964203333333, 0.415081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.153375650000000, 0.604297536666667, 0.415081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.653375650000000, 0.604297536666667, 0.415081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.153375650000000, 0.937630870000000, 0.415081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.653375650000000, 0.937630870000000, 0.415081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.153375650000000, 0.270964203333333, 0.915081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 92 coordinates: [ 0.653375650000000, 0.270964203333333, 0.915081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 93 coordinates: [ 0.153375650000000, 0.604297536666667, 0.915081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 94 coordinates: [ 0.653375650000000, 0.604297536666667, 0.915081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 95 coordinates: [ 0.153375650000000, 0.937630870000000, 0.915081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 96 coordinates: [ 0.653375650000000, 0.937630870000000, 0.915081670000000 ] mass: 15.999400 reduced_to: 85 - symbol: Se # 97 coordinates: [ 0.250000000000000, 0.220455800000000, 0.490076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.750000000000000, 0.220455800000000, 0.490076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.250000000000000, 0.553789133333333, 0.490076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.750000000000000, 0.553789133333333, 0.490076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 101 coordinates: [ 0.250000000000000, 0.887122466666667, 0.490076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 102 coordinates: [ 0.750000000000000, 0.887122466666667, 0.490076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 103 coordinates: [ 0.250000000000000, 0.220455800000000, 0.990076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 104 coordinates: [ 0.750000000000000, 0.220455800000000, 0.990076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 105 coordinates: [ 0.250000000000000, 0.553789133333333, 0.990076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 106 coordinates: [ 0.750000000000000, 0.553789133333333, 0.990076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 107 coordinates: [ 0.250000000000000, 0.887122466666667, 0.990076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 108 coordinates: [ 0.750000000000000, 0.887122466666667, 0.990076605000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 109 coordinates: [ 0.000000000000000, 0.112877533333333, 0.240076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 110 coordinates: [ 0.500000000000000, 0.112877533333333, 0.240076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 111 coordinates: [ 0.000000000000000, 0.446210866666667, 0.240076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 112 coordinates: [ 0.500000000000000, 0.446210866666667, 0.240076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 113 coordinates: [ 0.000000000000000, 0.779544200000000, 0.240076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 114 coordinates: [ 0.500000000000000, 0.779544200000000, 0.240076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 115 coordinates: [ 0.000000000000000, 0.112877533333333, 0.740076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 116 coordinates: [ 0.500000000000000, 0.112877533333333, 0.740076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 117 coordinates: [ 0.000000000000000, 0.446210866666667, 0.740076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 118 coordinates: [ 0.500000000000000, 0.446210866666667, 0.740076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 119 coordinates: [ 0.000000000000000, 0.779544200000000, 0.740076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 120 coordinates: [ 0.500000000000000, 0.779544200000000, 0.740076605000000 ] mass: 78.960000 reduced_to: 109 - symbol: Hg # 121 coordinates: [ 0.250000000000000, 0.048562940000000, 0.251306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 122 coordinates: [ 0.750000000000000, 0.048562940000000, 0.251306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 123 coordinates: [ 0.250000000000000, 0.381896273333333, 0.251306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 124 coordinates: [ 0.750000000000000, 0.381896273333333, 0.251306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 125 coordinates: [ 0.250000000000000, 0.715229606666667, 0.251306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 126 coordinates: [ 0.750000000000000, 0.715229606666667, 0.251306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 127 coordinates: [ 0.250000000000000, 0.048562940000000, 0.751306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 128 coordinates: [ 0.750000000000000, 0.048562940000000, 0.751306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 129 coordinates: [ 0.250000000000000, 0.381896273333333, 0.751306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 130 coordinates: [ 0.750000000000000, 0.381896273333333, 0.751306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 131 coordinates: [ 0.250000000000000, 0.715229606666667, 0.751306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 132 coordinates: [ 0.750000000000000, 0.715229606666667, 0.751306820000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 133 coordinates: [ 0.000000000000000, 0.284770393333333, 0.001306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 134 coordinates: [ 0.500000000000000, 0.284770393333333, 0.001306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 135 coordinates: [ 0.000000000000000, 0.618103726666667, 0.001306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 136 coordinates: [ 0.500000000000000, 0.618103726666667, 0.001306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 137 coordinates: [ 0.000000000000000, 0.951437060000000, 0.001306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 138 coordinates: [ 0.500000000000000, 0.951437060000000, 0.001306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 139 coordinates: [ 0.000000000000000, 0.284770393333333, 0.501306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 140 coordinates: [ 0.500000000000000, 0.284770393333333, 0.501306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 141 coordinates: [ 0.000000000000000, 0.618103726666667, 0.501306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 142 coordinates: [ 0.500000000000000, 0.618103726666667, 0.501306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 143 coordinates: [ 0.000000000000000, 0.951437060000000, 0.501306820000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 144 coordinates: [ 0.500000000000000, 0.951437060000000, 0.501306820000000 ] mass: 200.590000 reduced_to: 133born_effective_charge:- # 1 (O) - [ -0.892703990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.575047830000000, -0.474121510000000 ] - [ 0.000000000000000, -0.441805080000000, -2.267324970000000 ]- # 2 (O) - [ -0.892703990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.575047830000000, 0.474121510000000 ] - [ 0.000000000000000, 0.441805080000000, -2.267324970000000 ]- # 3 (O) - [ -0.890122480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.288337920000000, -0.567763110000000 ] - [ 0.000000000000000, -0.778839310000000, -1.590637890000000 ]- # 4 (O) - [ -0.890122480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.288337920000000, 0.567763110000000 ] - [ 0.000000000000000, 0.778839310000000, -1.590637890000000 ]- # 5 (O) - [ -2.658242830000000, -0.647721770000000, 0.315263520000000 ] - [ -0.330482220000000, -1.311935140000000, 0.390646250000000 ] - [ -0.015720430000000, 0.192195400000000, -1.222699490000000 ]- # 6 (O) - [ -2.658242830000000, -0.647721770000000, -0.315263520000000 ] - [ -0.330482220000000, -1.311935140000000, -0.390646250000000 ] - [ 0.015720430000000, -0.192195400000000, -1.222699490000000 ]- # 7 (O) - [ -2.658242830000000, 0.647721770000000, 0.315263520000000 ] - [ 0.330482220000000, -1.311935140000000, -0.390646250000000 ] - [ -0.015720430000000, -0.192195400000000, -1.222699490000000 ]- # 8 (O) - [ -2.658242830000000, 0.647721770000000, -0.315263520000000 ] - [ 0.330482220000000, -1.311935140000000, 0.390646250000000 ] - [ 0.015720430000000, 0.192195400000000, -1.222699490000000 ]- # 9 (Se) - [ 3.918833050000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.689297940000000, -0.130575250000000 ] - [ 0.000000000000000, 0.608631580000000, 3.411176590000000 ]- # 10 (Se) - [ 3.918833050000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.689297940000001, 0.130575250000000 ] - [ 0.000000000000000, -0.608631580000000, 3.411176590000000 ]- # 11 (Hg) - [ 3.180479080000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.797958100000000, 0.224672720000000 ] - [ 0.000000000000000, 0.121514320000000, 2.892185250000000 ]- # 12 (Hg) - [ 3.180479080000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.797958100000000, -0.224672720000000 ] - [ 0.000000000000000, -0.121514320000000, 2.892185250000000 ]dielectric_constant: - [ 5.082872940000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.584588400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.599601620000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0282323800000000, 0.0023261400000000, 0.0114605800000000 ] - [ 0.0003710800000000, 0.0023907100000000, 0.0120896300000000 ] - [ -0.0001558500000000, 0.0023638500000000, 0.0120922200000000 ] - [ 0.0001292300000000, 0.0023629900000000, 0.0120933900000000 ] - [ -0.0001558800000000, 0.0024301600000000, 0.0120918000000000 ] - [ 0.0001292200000000, 0.0024297300000000, 0.0120928700000000 ] - [ -0.0004787400000000, 0.0023918300000000, 0.0120954100000000 ] - [ 0.0001897800000000, 0.0023910900000000, 0.0120917100000000 ] - [ -0.0000939600000000, 0.0023637800000000, 0.0120943700000000 ] - [ 0.0000910100000000, 0.0023630700000000, 0.0120941400000000 ] - [ -0.0000939500000000, 0.0024302400000000, 0.0120949400000000 ] - [ 0.0000909900000000, 0.0024307200000000, 0.0120943600000000 ] - [ 0.0001152300000000, -0.0019805200000000, 0.0113828400000000 ] - [ 0.0001152300000000, -0.0028810800000000, 0.0128077000000000 ] - [ 0.0001921600000000, -0.0024523000000000, 0.0116604400000000 ] - [ 0.0001935000000000, -0.0022725700000000, 0.0125280200000000 ] - [ -0.0000045400000000, -0.0023274200000000, 0.0120209800000000 ] - [ -0.0000046500000000, -0.0024545100000000, 0.0121610100000000 ] - [ 0.0001167700000000, -0.0020495400000000, 0.0123829700000000 ] - [ 0.0001137100000000, -0.0028098800000000, 0.0118033900000000 ] - [ 0.0001932700000000, -0.0028127500000000, 0.0125035700000000 ] - [ 0.0001923900000000, -0.0019149400000000, 0.0116849700000000 ] - [ -0.0000044400000000, -0.0023597700000000, 0.0120840400000000 ] - [ -0.0000047600000000, -0.0024216600000000, 0.0120977400000000 ] - [ -0.0003518200000000, -0.0047512900000000, 0.0031804900000000 ] - [ 0.0002103500000000, -0.0047536000000000, 0.0031744100000000 ] - [ -0.0002602600000000, -0.0048011400000000, 0.0031754800000000 ] - [ 0.0001526200000000, -0.0048055000000000, 0.0031725900000000 ] - [ -0.0000909600000000, -0.0047943100000000, 0.0031695700000000 ] - [ 0.0000799100000000, -0.0047944700000000, 0.0031693700000000 ] - [ -0.0053075600000000, -0.0047413700000000, 0.0031920300000000 ] - [ 0.0002408300000000, -0.0047546200000000, 0.0031725700000000 ] - [ -0.0003043200000000, -0.0048058300000000, 0.0031712200000000 ] - [ 0.0001581200000000, -0.0048061400000000, 0.0031717200000000 ] - [ -0.0000242100000000, -0.0047928600000000, 0.0031687800000000 ] - [ 0.0000704800000000, -0.0047943400000000, 0.0031687100000000 ] - [ 0.0017333400000000, 0.0058030900000000, 0.0023619400000000 ] - [ 0.0017558600000000, 0.0037843900000000, 0.0039812100000000 ] - [ 0.0003109800000000, 0.0040479300000000, 0.0031317300000000 ] - [ 0.0003137100000000, 0.0055693700000000, 0.0032130700000000 ] - [ 0.0000065100000000, 0.0049287500000000, 0.0031461000000000 ] - [ 0.0000062600000000, 0.0045793700000000, 0.0032006200000000 ] - [ 0.0002668300000000, 0.0051109000000000, 0.0035593000000000 ] - [ 0.0002636000000000, 0.0044776700000000, 0.0027825700000000 ] - [ 0.0000466900000000, 0.0044525400000000, 0.0033822200000000 ] - [ 0.0000466000000000, 0.0051588400000000, 0.0029625300000000 ] - [ -0.0000006600000000, 0.0047998000000000, 0.0031956400000000 ] - [ -0.0000009600000000, 0.0047089700000000, 0.0031515100000000 ] - [ -0.0107533400000000, -0.0076720600000000, 0.0123703100000000 ] - [ -0.0094459200000000, -0.0073326700000000, 0.0109894500000000 ] - [ -0.0103207000000000, -0.0075559000000000, 0.0111323900000000 ] - [ -0.0097671200000000, -0.0074831300000000, 0.0110698700000000 ] - [ -0.0103961100000000, -0.0076076900000000, 0.0111641000000000 ] - [ -0.0097337600000000, -0.0073489600000000, 0.0110402800000000 ] - [ -0.0133549600000000, -0.0061139800000000, -0.0015913100000000 ] - [ -0.0091601100000000, -0.0072805200000000, 0.0109922600000000 ] - [ -0.0103655300000000, -0.0076083700000000, 0.0111343500000000 ] - [ -0.0097489700000000, -0.0074843000000000, 0.0110893500000000 ] - [ -0.0103762500000000, -0.0074160800000000, 0.0110386800000000 ] - [ -0.0097533100000000, -0.0073602200000000, 0.0110836900000000 ] - [ 0.0110578900000000, 0.0055822300000000, 0.0113644800000000 ] - [ 0.0108905400000000, 0.0080310000000000, 0.0112872300000000 ] - [ 0.0119730500000000, 0.0091150700000000, 0.0118785500000000 ] - [ 0.0108524800000000, 0.0074783800000000, 0.0109882500000000 ] - [ 0.0099413900000000, 0.0074469400000000, 0.0110978300000000 ] - [ 0.0101369200000000, 0.0074671300000000, 0.0111182000000000 ] - [ 0.0096405600000000, 0.0072277800000000, 0.0110074800000000 ] - [ 0.0103054500000000, 0.0076967200000000, 0.0112362600000000 ] - [ 0.0104783100000000, 0.0078954200000000, 0.0108071200000000 ] - [ 0.0103945000000000, 0.0075558400000000, 0.0111927100000000 ] - [ 0.0099782000000000, 0.0074652400000000, 0.0111118700000000 ] - [ 0.0100979200000000, 0.0074495000000000, 0.0111003600000000 ] - [ -0.0090564500000000, 0.0093374600000000, 0.0108217000000000 ] - [ -0.0092035300000000, 0.0069064300000000, 0.0108980200000000 ] - [ -0.0081319900000000, 0.0059401500000000, 0.0103245800000000 ] - [ -0.0092344400000000, 0.0075595000000000, 0.0112113700000000 ] - [ -0.0101360300000000, 0.0074702900000000, 0.0111120500000000 ] - [ -0.0099409500000000, 0.0074499000000000, 0.0110915500000000 ] - [ -0.0104461900000000, 0.0077108300000000, 0.0111823600000000 ] - [ -0.0097966500000000, 0.0072443200000000, 0.0109503000000000 ] - [ -0.0096126100000000, 0.0071424600000000, 0.0113920700000000 ] - [ -0.0096967600000000, 0.0074823100000000, 0.0110065900000000 ] - [ -0.0101000500000000, 0.0074521500000000, 0.0110989600000000 ] - [ -0.0099810100000000, 0.0074681000000000, 0.0111102000000000 ] - [ 0.0093140600000000, -0.0072440300000000, 0.0098468500000000 ] - [ 0.0106317700000000, -0.0075843200000000, 0.0112215900000000 ] - [ 0.0097698200000000, -0.0074815500000000, 0.0110671300000000 ] - [ 0.0103238200000000, -0.0075551700000000, 0.0111294700000000 ] - [ 0.0097018100000000, -0.0073326500000000, 0.0110229000000000 ] - [ 0.0103640300000000, -0.0075909700000000, 0.0111465600000000 ] - [ 0.0067343800000000, -0.0087622400000000, 0.0236559400000000 ] - [ 0.0109171900000000, -0.0076364100000000, 0.0112164100000000 ] - [ 0.0097257400000000, -0.0074303700000000, 0.0110644200000000 ] - [ 0.0103418400000000, -0.0075541900000000, 0.0111094600000000 ] - [ 0.0097230700000000, -0.0075166000000000, 0.0111429600000000 ] - [ 0.0103440400000000, -0.0075792000000000, 0.0111017400000000 ] - [ 0.0016062400000000, 0.0247876200000000, -0.0307617000000000 ] - [ -0.0009052500000000, 0.0247963000000000, -0.0307455000000000 ] - [ 0.0004077100000000, 0.0247719300000000, -0.0307425900000000 ] - [ -0.0004216300000000, 0.0247753300000000, -0.0307427700000000 ] - [ 0.0005144800000000, 0.0247818600000000, -0.0307448800000000 ] - [ -0.0004370500000000, 0.0247820900000000, -0.0307438900000000 ] - [ 0.0367155600000000, 0.0248725100000000, -0.0299738900000000 ] - [ -0.0013643100000000, 0.0247966100000000, -0.0307423000000000 ] - [ 0.0004135600000000, 0.0247759700000000, -0.0307400000000000 ] - [ -0.0004704700000000, 0.0247758700000000, -0.0307417500000000 ] - [ 0.0002255000000000, 0.0247775800000000, -0.0307385800000000 ] - [ -0.0004333700000000, 0.0247818400000000, -0.0307415200000000 ] - [ -0.0020135000000000, -0.0271492900000000, -0.0295411400000000 ] - [ -0.0020191900000000, -0.0224092400000000, -0.0319531400000000 ] - [ -0.0015149800000000, -0.0239402000000000, -0.0296604300000000 ] - [ -0.0015192200000000, -0.0256097800000000, -0.0318274100000000 ] - [ 0.0000284900000000, -0.0249391200000000, -0.0307406500000000 ] - [ 0.0000292000000000, -0.0246548000000000, -0.0307480900000000 ] - [ -0.0001579300000000, -0.0256676500000000, -0.0314126400000000 ] - [ -0.0001465000000000, -0.0238959200000000, -0.0300707600000000 ] - [ -0.0005809200000000, -0.0242000500000000, -0.0313083000000000 ] - [ -0.0005789500000000, -0.0253493400000000, -0.0301782700000000 ] - [ 0.0000043100000000, -0.0248418600000000, -0.0307659600000000 ] - [ 0.0000048800000000, -0.0247529300000000, -0.0307236600000000 ] - [ 0.0023697300000000, -0.0059896600000000, -0.0067202600000000 ] - [ -0.0009037300000000, -0.0060081300000000, -0.0067205400000000 ] - [ 0.0012614300000000, -0.0060672800000000, -0.0067529200000000 ] - [ -0.0009242400000000, -0.0059874800000000, -0.0067216900000000 ] - [ 0.0002080800000000, -0.0059905700000000, -0.0067171200000000 ] - [ -0.0002225300000000, -0.0059900400000000, -0.0067173500000000 ] - [ 0.0003995600000000, -0.0060175800000000, -0.0067346500000000 ] - [ -0.0004353600000000, -0.0060092100000000, -0.0067190400000000 ] - [ 0.0024131400000000, -0.0059873600000000, -0.0067215300000000 ] - [ -0.0005689200000000, -0.0059877000000000, -0.0067208100000000 ] - [ 0.0001463200000000, -0.0059908200000000, -0.0067179700000000 ] - [ -0.0001526500000000, -0.0059901500000000, -0.0067171200000000 ] - [ -0.0040001400000000, 0.0069024900000000, -0.0071246600000000 ] - [ -0.0039979800000000, 0.0050754600000000, -0.0062929100000000 ] - [ 0.0000021400000000, 0.0062538100000000, -0.0069800700000000 ] - [ 0.0000023900000000, 0.0057207900000000, -0.0064595800000000 ] - [ -0.0000617600000000, 0.0054630900000000, -0.0070611400000000 ] - [ -0.0000584600000000, 0.0065551400000000, -0.0063735500000000 ] - [ -0.0001472100000000, 0.0059990700000000, -0.0067085200000000 ] - [ -0.0001476200000000, 0.0059817200000000, -0.0067306200000000 ] - [ 0.0000006800000000, 0.0061600700000000, -0.0067908800000000 ] - [ 0.0000003500000000, 0.0058148200000000, -0.0066523300000000 ] - [ -0.0000114400000000, 0.0056087100000000, -0.0066464600000000 ] - [ -0.0000108500000000, 0.0064084300000000, -0.0067958500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0598107600000000, -0.0283193100000000 ] - [ 0.0000000000000000, 0.0012555900000000, 0.0115246000000000 ] - [ 0.0000000000000000, 0.0030652600000000, 0.0121786300000000 ] - [ 0.0000000000000000, 0.0027800400000000, 0.0119602700000000 ] - [ 0.0000000000000000, 0.0031349900000000, 0.0118829800000000 ] - [ 0.0000000000000000, 0.0028454200000000, 0.0122838400000000 ] - [ 0.0000000000000000, 0.0008675100000000, 0.0125270600000000 ] - [ 0.0000000000000000, 0.0019245700000000, 0.0120661600000000 ] - [ 0.0000000000000000, 0.0024984000000000, 0.0121391000000000 ] - [ 0.0000000000000000, 0.0027072300000000, 0.0123775900000000 ] - [ 0.0000000000000000, 0.0025713200000000, 0.0123554900000000 ] - [ 0.0000000000000000, 0.0027738100000000, 0.0122656400000000 ] - [ 0.0003794100000000, -0.0031864500000000, 0.0116831100000000 ] - [ -0.0003794100000000, -0.0031864500000000, 0.0116831100000000 ] - [ -0.0004491000000000, -0.0021938400000000, 0.0131596900000000 ] - [ 0.0004491000000000, -0.0021938400000000, 0.0131596900000000 ] - [ 0.0000312400000000, -0.0018827000000000, 0.0119112600000000 ] - [ -0.0000312400000000, -0.0018827000000000, 0.0119112600000000 ] - [ 0.0004514000000000, -0.0031851500000000, 0.0122608400000000 ] - [ -0.0004514000000000, -0.0031851500000000, 0.0122608400000000 ] - [ -0.0000877600000000, -0.0021987200000000, 0.0116436500000000 ] - [ 0.0000877600000000, -0.0021987200000000, 0.0116436500000000 ] - [ 0.0000637700000000, -0.0018824600000000, 0.0119525600000000 ] - [ -0.0000637700000000, -0.0018824600000000, 0.0119525600000000 ] - [ 0.0000000000000000, -0.0074730700000000, 0.0014310000000000 ] - [ 0.0000000000000000, -0.0054890000000000, 0.0029107900000000 ] - [ 0.0000000000000000, -0.0054298000000000, 0.0011496300000000 ] - [ 0.0000000000000000, -0.0041802600000000, 0.0037794500000000 ] - [ 0.0000000000000000, -0.0041076400000000, 0.0033869800000000 ] - [ 0.0000000000000000, -0.0043958100000000, 0.0033115900000000 ] - [ 0.0000000000000000, 0.0032569800000000, 0.0294445100000000 ] - [ 0.0000000000000000, -0.0056163000000000, 0.0027750700000000 ] - [ 0.0000000000000000, -0.0029077100000000, 0.0020919700000000 ] - [ 0.0000000000000000, -0.0045904600000000, 0.0029593900000000 ] - [ 0.0000000000000000, -0.0034051700000000, 0.0035361200000000 ] - [ 0.0000000000000000, -0.0043846600000000, 0.0032894200000000 ] - [ 0.0003799000000000, 0.0029604000000000, 0.0035287500000000 ] - [ -0.0003799000000000, 0.0029604000000000, 0.0035287500000000 ] - [ -0.0006190900000000, 0.0063957900000000, 0.0035118600000000 ] - [ 0.0006190900000000, 0.0063957900000000, 0.0035118600000000 ] - [ 0.0001092700000000, 0.0056247800000000, 0.0028319100000000 ] - [ -0.0001092700000000, 0.0056247800000000, 0.0028319100000000 ] - [ -0.0000239500000000, 0.0034913100000000, 0.0032273500000000 ] - [ 0.0000239500000000, 0.0034913100000000, 0.0032273500000000 ] - [ -0.0000183700000000, 0.0050318000000000, 0.0030062300000000 ] - [ 0.0000183700000000, 0.0050318000000000, 0.0030062300000000 ] - [ 0.0000939400000000, 0.0053234800000000, 0.0030396300000000 ] - [ -0.0000939400000000, 0.0053234800000000, 0.0030396300000000 ] - [ -0.0099437700000000, -0.0095358600000000, 0.0133319000000000 ] - [ -0.0101443600000000, -0.0079007800000000, 0.0113469100000000 ] - [ -0.0100288200000000, -0.0072137600000000, 0.0111420600000000 ] - [ -0.0100133000000000, -0.0072389400000000, 0.0110842500000000 ] - [ -0.0101514300000000, -0.0072283200000000, 0.0109691700000000 ] - [ -0.0099666500000000, -0.0073202000000000, 0.0110305600000000 ] - [ -0.0093409200000000, -0.0138287600000000, 0.0052664400000000 ] - [ -0.0101307600000000, -0.0077984500000000, 0.0111328900000000 ] - [ -0.0097053600000000, -0.0067402700000000, 0.0107947300000000 ] - [ -0.0100159300000000, -0.0072860000000000, 0.0109506300000000 ] - [ -0.0104597400000000, -0.0059700000000000, 0.0104188900000000 ] - [ -0.0099515400000000, -0.0073351900000000, 0.0110520900000000 ] - [ 0.0053274700000000, 0.0077608000000000, 0.0102570000000000 ] - [ 0.0115054300000000, 0.0072300900000000, 0.0109488700000000 ] - [ 0.0190293600000000, 0.0112287000000000, 0.0121182300000000 ] - [ 0.0073337300000000, 0.0070019900000000, 0.0112885700000000 ] - [ 0.0100458100000000, 0.0079647300000000, 0.0112215300000000 ] - [ 0.0102281600000000, 0.0079681700000000, 0.0112465700000000 ] - [ 0.0071641100000000, 0.0067763100000000, 0.0117412900000000 ] - [ 0.0109736000000000, 0.0073673500000000, 0.0110334600000000 ] - [ 0.0100494300000000, 0.0074564500000000, 0.0109895000000000 ] - [ 0.0098954500000000, 0.0073612500000000, 0.0109962200000000 ] - [ 0.0100007500000000, 0.0077778200000000, 0.0112072300000000 ] - [ 0.0102341400000000, 0.0077918300000000, 0.0112207200000000 ] - [ -0.0053274700000000, 0.0077608000000000, 0.0102570000000000 ] - [ -0.0115054300000000, 0.0072300900000000, 0.0109488700000000 ] - [ -0.0190293600000000, 0.0112287000000000, 0.0121182300000000 ] - [ -0.0073337300000000, 0.0070019900000000, 0.0112885700000000 ] - [ -0.0100458100000000, 0.0079647300000000, 0.0112215300000000 ] - [ -0.0102281600000000, 0.0079681700000000, 0.0112465700000000 ] - [ -0.0071641100000000, 0.0067763100000000, 0.0117412900000000 ] - [ -0.0109736000000000, 0.0073673500000000, 0.0110334600000000 ] - [ -0.0100494300000000, 0.0074564500000000, 0.0109895000000000 ] - [ -0.0098954500000000, 0.0073612500000000, 0.0109962200000000 ] - [ -0.0100007500000000, 0.0077778200000000, 0.0112072300000000 ] - [ -0.0102341400000000, 0.0077918300000000, 0.0112207200000000 ] - [ 0.0099437700000000, -0.0095358600000000, 0.0133319000000000 ] - [ 0.0101443600000000, -0.0079007800000000, 0.0113469100000000 ] - [ 0.0100288200000000, -0.0072137600000000, 0.0111420600000000 ] - [ 0.0100133000000000, -0.0072389400000000, 0.0110842500000000 ] - [ 0.0101514300000000, -0.0072283200000000, 0.0109691700000000 ] - [ 0.0099666500000000, -0.0073202000000000, 0.0110305600000000 ] - [ 0.0093409200000000, -0.0138287600000000, 0.0052664400000000 ] - [ 0.0101307600000000, -0.0077984500000000, 0.0111328900000000 ] - [ 0.0097053600000000, -0.0067402700000000, 0.0107947300000000 ] - [ 0.0100159300000000, -0.0072860000000000, 0.0109506300000000 ] - [ 0.0104597400000000, -0.0059700000000000, 0.0104188900000000 ] - [ 0.0099515400000000, -0.0073351900000000, 0.0110520900000000 ] - [ 0.0000000000000000, 0.0293610300000000, -0.0322989600000000 ] - [ 0.0000000000000000, 0.0260410500000000, -0.0310028300000000 ] - [ 0.0000000000000000, 0.0245203300000000, -0.0312073600000000 ] - [ 0.0000000000000000, 0.0238364700000000, -0.0309475000000000 ] - [ 0.0000000000000000, 0.0236804400000000, -0.0309477900000000 ] - [ 0.0000000000000000, 0.0242262000000000, -0.0308385700000000 ] - [ 0.0000000000000000, 0.0730120300000000, -0.0058182800000000 ] - [ 0.0000000000000000, 0.0260701800000000, -0.0302353000000000 ] - [ 0.0000000000000000, 0.0221009400000000, -0.0306134300000000 ] - [ 0.0000000000000000, 0.0243255400000000, -0.0304353300000000 ] - [ 0.0000000000000000, 0.0220816400000000, -0.0304846600000000 ] - [ 0.0000000000000000, 0.0241722800000000, -0.0308547600000000 ] - [ -0.0036344500000000, -0.0212778800000000, -0.0287118600000000 ] - [ 0.0036344500000000, -0.0212778800000000, -0.0287118600000000 ] - [ 0.0042491200000000, -0.0271815300000000, -0.0348500100000000 ] - [ -0.0042491200000000, -0.0271815300000000, -0.0348500100000000 ] - [ -0.0001643900000000, -0.0262049100000000, -0.0307800700000000 ] - [ 0.0001643900000000, -0.0262049100000000, -0.0307800700000000 ] - [ -0.0020704500000000, -0.0222649500000000, -0.0301583500000000 ] - [ 0.0020704500000000, -0.0222649500000000, -0.0301583500000000 ] - [ 0.0001792600000000, -0.0249038700000000, -0.0301860500000000 ] - [ -0.0001792600000000, -0.0249038700000000, -0.0301860500000000 ] - [ -0.0001949400000000, -0.0257354400000000, -0.0307860100000000 ] - [ 0.0001949400000000, -0.0257354400000000, -0.0307860100000000 ] - [ 0.0000000000000000, -0.0078211200000000, -0.0036188600000000 ] - [ 0.0000000000000000, -0.0060021300000000, -0.0063019700000000 ] - [ 0.0000000000000000, 0.0100306200000000, 0.0004284100000000 ] - [ 0.0000000000000000, -0.0050903900000000, -0.0075196900000000 ] - [ 0.0000000000000000, -0.0071738600000000, -0.0068173600000000 ] - [ 0.0000000000000000, -0.0066594800000000, -0.0067447000000000 ] - [ 0.0000000000000000, -0.0088524300000000, -0.0136492000000000 ] - [ 0.0000000000000000, -0.0059723600000000, -0.0063555900000000 ] - [ 0.0000000000000000, -0.0058249400000000, -0.0057462500000000 ] - [ 0.0000000000000000, -0.0056148900000000, -0.0066975700000000 ] - [ 0.0000000000000000, -0.0070075900000000, -0.0069336100000000 ] - [ 0.0000000000000000, -0.0066113500000000, -0.0067009200000000 ] - [ 0.0013985100000000, 0.0074498600000000, -0.0066459700000000 ] - [ -0.0013985100000000, 0.0074498600000000, -0.0066459700000000 ] - [ 0.0001670000000000, 0.0049825600000000, -0.0062493500000000 ] - [ -0.0001670000000000, 0.0049825600000000, -0.0062493500000000 ] - [ -0.0010859400000000, 0.0054637800000000, -0.0067281200000000 ] - [ 0.0010859400000000, 0.0054637800000000, -0.0067281200000000 ] - [ 0.0003609400000000, 0.0069511400000000, -0.0072198500000000 ] - [ -0.0003609400000000, 0.0069511400000000, -0.0072198500000000 ] - [ -0.0000160200000000, 0.0052129000000000, -0.0069647400000000 ] - [ 0.0000160200000000, 0.0052129000000000, -0.0069647400000000 ] - [ -0.0004136600000000, 0.0055618000000000, -0.0067491000000000 ] - [ 0.0004136600000000, 0.0055618000000000, -0.0067491000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0636284800000000, 0.0511812900000000 ] - [ 0.0000000000000000, 0.0035234400000000, 0.0126501700000000 ] - [ 0.0000000000000000, 0.0016566300000000, 0.0120085200000000 ] - [ 0.0000000000000000, 0.0019471700000000, 0.0122246400000000 ] - [ 0.0000000000000000, 0.0017255300000000, 0.0123057000000000 ] - [ 0.0000000000000000, 0.0020125500000000, 0.0119007800000000 ] - [ 0.0000000000000000, 0.0039276700000000, 0.0116814900000000 ] - [ 0.0000000000000000, 0.0028601200000000, 0.0121188700000000 ] - [ 0.0000000000000000, 0.0022167300000000, 0.0120403500000000 ] - [ 0.0000000000000000, 0.0020195400000000, 0.0118123200000000 ] - [ 0.0000000000000000, 0.0022895300000000, 0.0118286200000000 ] - [ 0.0000000000000000, 0.0020861300000000, 0.0119222300000000 ] - [ -0.0003809300000000, -0.0016703400000000, 0.0125062900000000 ] - [ 0.0003809300000000, -0.0016703400000000, 0.0125062900000000 ] - [ 0.0004487200000000, -0.0025293800000000, 0.0110323300000000 ] - [ -0.0004487200000000, -0.0025293800000000, 0.0110323300000000 ] - [ -0.0000306300000000, -0.0029009400000000, 0.0122721200000000 ] - [ 0.0000306300000000, -0.0029009400000000, 0.0122721200000000 ] - [ -0.0004491500000000, -0.0016690300000000, 0.0119277000000000 ] - [ 0.0004491500000000, -0.0016690300000000, 0.0119277000000000 ] - [ 0.0000919800000000, -0.0025342800000000, 0.0125468100000000 ] - [ -0.0000919800000000, -0.0025342800000000, 0.0125468100000000 ] - [ -0.0000633400000000, -0.0029007000000000, 0.0122290600000000 ] - [ 0.0000633400000000, -0.0029007000000000, 0.0122290600000000 ] - [ 0.0000000000000000, -0.0020195900000000, 0.0049375100000000 ] - [ 0.0000000000000000, -0.0040162800000000, 0.0034391300000000 ] - [ 0.0000000000000000, -0.0042104000000000, 0.0051263700000000 ] - [ 0.0000000000000000, -0.0054279200000000, 0.0025697600000000 ] - [ 0.0000000000000000, -0.0054837700000000, 0.0029507400000000 ] - [ 0.0000000000000000, -0.0051942000000000, 0.0030264900000000 ] - [ 0.0000000000000000, -0.0129877000000000, -0.0235277800000000 ] - [ 0.0000000000000000, -0.0038904100000000, 0.0035691000000000 ] - [ 0.0000000000000000, -0.0066960400000000, 0.0042276500000000 ] - [ 0.0000000000000000, -0.0050225600000000, 0.0033806100000000 ] - [ 0.0000000000000000, -0.0061866000000000, 0.0027993400000000 ] - [ 0.0000000000000000, -0.0052052100000000, 0.0030470400000000 ] - [ -0.0003765100000000, 0.0066408100000000, 0.0028009100000000 ] - [ 0.0003765100000000, 0.0066408100000000, 0.0028009100000000 ] - [ 0.0006167700000000, 0.0032279000000000, 0.0028360500000000 ] - [ -0.0006167700000000, 0.0032279000000000, 0.0028360500000000 ] - [ -0.0001090900000000, 0.0038810900000000, 0.0035162100000000 ] - [ 0.0001090900000000, 0.0038810900000000, 0.0035162100000000 ] - [ 0.0000281800000000, 0.0061043500000000, 0.0031178400000000 ] - [ -0.0000281800000000, 0.0061043500000000, 0.0031178400000000 ] - [ 0.0000203400000000, 0.0045761600000000, 0.0033393100000000 ] - [ -0.0000203400000000, 0.0045761600000000, 0.0033393100000000 ] - [ -0.0000935800000000, 0.0041834500000000, 0.0033075700000000 ] - [ 0.0000935800000000, 0.0041834500000000, 0.0033075700000000 ] - [ -0.0101179700000000, -0.0053837800000000, 0.0089001300000000 ] - [ -0.0099320300000000, -0.0070160900000000, 0.0108648300000000 ] - [ -0.0100669100000000, -0.0078309100000000, 0.0110595800000000 ] - [ -0.0100767800000000, -0.0077989500000000, 0.0111151500000000 ] - [ -0.0099472600000000, -0.0077098800000000, 0.0112148400000000 ] - [ -0.0101309400000000, -0.0076200300000000, 0.0111563100000000 ] - [ -0.0107335400000000, -0.0011430500000000, 0.0169742000000000 ] - [ -0.0099443900000000, -0.0071166600000000, 0.0110728100000000 ] - [ -0.0103865500000000, -0.0082992700000000, 0.0114052300000000 ] - [ -0.0100741600000000, -0.0077527500000000, 0.0112474100000000 ] - [ -0.0096356100000000, -0.0089695900000000, 0.0117682000000000 ] - [ -0.0101455200000000, -0.0076043900000000, 0.0111333000000000 ] - [ 0.0148335300000000, 0.0071685800000000, 0.0119297600000000 ] - [ 0.0085806300000000, 0.0077104700000000, 0.0112383000000000 ] - [ 0.0011611500000000, 0.0038453700000000, 0.0100723600000000 ] - [ 0.0127337400000000, 0.0080316300000000, 0.0109134000000000 ] - [ 0.0100303100000000, 0.0069511200000000, 0.0109883900000000 ] - [ 0.0098500900000000, 0.0069484200000000, 0.0109630500000000 ] - [ 0.0129446800000000, 0.0081663300000000, 0.0104430000000000 ] - [ 0.0091240100000000, 0.0075745600000000, 0.0111544100000000 ] - [ 0.0100303200000000, 0.0075762300000000, 0.0112130300000000 ] - [ 0.0102012600000000, 0.0076781600000000, 0.0112041100000000 ] - [ 0.0100755200000000, 0.0071372000000000, 0.0110022800000000 ] - [ 0.0098453100000000, 0.0071245600000000, 0.0109890700000000 ] - [ -0.0148335300000000, 0.0071685800000000, 0.0119297600000000 ] - [ -0.0085806300000000, 0.0077104700000000, 0.0112383000000000 ] - [ -0.0011611500000000, 0.0038453700000000, 0.0100723600000000 ] - [ -0.0127337400000000, 0.0080316300000000, 0.0109134000000000 ] - [ -0.0100303100000000, 0.0069511200000000, 0.0109883900000000 ] - [ -0.0098500900000000, 0.0069484200000000, 0.0109630500000000 ] - [ -0.0129446800000000, 0.0081663300000000, 0.0104430000000000 ] - [ -0.0091240100000000, 0.0075745600000000, 0.0111544100000000 ] - [ -0.0100303200000000, 0.0075762300000000, 0.0112130300000000 ] - [ -0.0102012600000000, 0.0076781600000000, 0.0112041100000000 ] - [ -0.0100755200000000, 0.0071372000000000, 0.0110022800000000 ] - [ -0.0098453100000000, 0.0071245600000000, 0.0109890700000000 ] - [ 0.0101179700000000, -0.0053837800000000, 0.0089001300000000 ] - [ 0.0099320300000000, -0.0070160900000000, 0.0108648300000000 ] - [ 0.0100669100000000, -0.0078309100000000, 0.0110595800000000 ] - [ 0.0100767800000000, -0.0077989500000000, 0.0111151500000000 ] - [ 0.0099472600000000, -0.0077098800000000, 0.0112148400000000 ] - [ 0.0101309400000000, -0.0076200300000000, 0.0111563100000000 ] - [ 0.0107335400000000, -0.0011430500000000, 0.0169742000000000 ] - [ 0.0099443900000000, -0.0071166600000000, 0.0110728100000000 ] - [ 0.0103865500000000, -0.0082992700000000, 0.0114052300000000 ] - [ 0.0100741600000000, -0.0077527500000000, 0.0112474100000000 ] - [ 0.0096356100000000, -0.0089695900000000, 0.0117682000000000 ] - [ 0.0101455200000000, -0.0076043900000000, 0.0111333000000000 ] - [ 0.0000000000000000, 0.0202288100000000, -0.0292324900000000 ] - [ 0.0000000000000000, 0.0235481900000000, -0.0304904700000000 ] - [ 0.0000000000000000, 0.0250685100000000, -0.0302773600000000 ] - [ 0.0000000000000000, 0.0257104500000000, -0.0305391100000000 ] - [ 0.0000000000000000, 0.0258849700000000, -0.0305379600000000 ] - [ 0.0000000000000000, 0.0253390900000000, -0.0306485600000000 ] - [ 0.0000000000000000, -0.0229499900000000, -0.0544427400000000 ] - [ 0.0000000000000000, 0.0235157500000000, -0.0312404700000000 ] - [ 0.0000000000000000, 0.0274508300000000, -0.0308775100000000 ] - [ 0.0000000000000000, 0.0252266700000000, -0.0310455100000000 ] - [ 0.0000000000000000, 0.0274823200000000, -0.0309927700000000 ] - [ 0.0000000000000000, 0.0253928600000000, -0.0306271500000000 ] - [ 0.0036480300000000, -0.0283173100000000, -0.0327870900000000 ] - [ -0.0036480300000000, -0.0283173100000000, -0.0327870900000000 ] - [ -0.0042449000000000, -0.0223795200000000, -0.0266601900000000 ] - [ 0.0042449000000000, -0.0223795200000000, -0.0266601900000000 ] - [ 0.0001625200000000, -0.0233860400000000, -0.0307100600000000 ] - [ -0.0001625200000000, -0.0233860400000000, -0.0307100600000000 ] - [ 0.0020679700000000, -0.0273130400000000, -0.0313350400000000 ] - [ -0.0020679700000000, -0.0273130400000000, -0.0313350400000000 ] - [ -0.0001943800000000, -0.0246389000000000, -0.0313026800000000 ] - [ 0.0001943800000000, -0.0246389000000000, -0.0313026800000000 ] - [ 0.0001930500000000, -0.0238555600000000, -0.0307020300000000 ] - [ -0.0001930500000000, -0.0238555600000000, -0.0307020300000000 ] - [ 0.0000000000000000, -0.0042758400000000, -0.0098091900000000 ] - [ 0.0000000000000000, -0.0060134400000000, -0.0071410000000000 ] - [ 0.0000000000000000, -0.0211800900000000, -0.0133456800000000 ] - [ 0.0000000000000000, -0.0068811000000000, -0.0059298200000000 ] - [ 0.0000000000000000, -0.0048011700000000, -0.0066193400000000 ] - [ 0.0000000000000000, -0.0053201900000000, -0.0066903600000000 ] - [ 0.0000000000000000, -0.0031667700000000, 0.0002353700000000 ] - [ 0.0000000000000000, -0.0060456800000000, -0.0070841200000000 ] - [ 0.0000000000000000, -0.0061190300000000, -0.0077174000000000 ] - [ 0.0000000000000000, -0.0063611400000000, -0.0067431700000000 ] - [ 0.0000000000000000, -0.0049671200000000, -0.0064992000000000 ] - [ 0.0000000000000000, -0.0053682300000000, -0.0067330700000000 ] - [ -0.0014404000000000, 0.0045421800000000, -0.0067634400000000 ] - [ 0.0014404000000000, 0.0045421800000000, -0.0067634400000000 ] - [ -0.0001686100000000, 0.0069936500000000, -0.0071878100000000 ] - [ 0.0001686100000000, 0.0069936500000000, -0.0071878100000000 ] - [ 0.0010861500000000, 0.0065548600000000, -0.0067066300000000 ] - [ -0.0010861500000000, 0.0065548600000000, -0.0067066300000000 ] - [ -0.0003585300000000, 0.0050262200000000, -0.0062238800000000 ] - [ 0.0003585300000000, 0.0050262200000000, -0.0062238800000000 ] - [ 0.0000118200000000, 0.0067643800000000, -0.0064802600000000 ] - [ -0.0000118200000000, 0.0067643800000000, -0.0064802600000000 ] - [ 0.0004132500000000, 0.0064569400000000, -0.0066921700000000 ] - [ -0.0004132500000000, 0.0064569400000000, -0.0066921700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0359914100000000, -0.3036613200000000 ] - [ 0.0000000000000000, 0.0018285300000000, 0.0108938100000000 ] - [ 0.0000000000000000, 0.0021479400000000, 0.0113106700000000 ] - [ 0.0000000000000000, 0.0025542900000000, 0.0117784200000000 ] - [ 0.0000000000000000, 0.0025170700000000, 0.0113105200000000 ] - [ 0.0000000000000000, 0.0022989700000000, 0.0117788600000000 ] - [ 0.0000000000000000, 0.0028134100000000, 0.0168111500000000 ] - [ 0.0000000000000000, 0.0023642100000000, 0.0125477000000000 ] - [ 0.0000000000000000, 0.0026287800000000, 0.0127351700000000 ] - [ 0.0000000000000000, 0.0025347400000000, 0.0124266800000000 ] - [ 0.0000000000000000, 0.0024803800000000, 0.0127316800000000 ] - [ 0.0000000000000000, 0.0027122900000000, 0.0124263600000000 ] - [ -0.0002883500000000, -0.0025973600000000, 0.0122928300000000 ] - [ 0.0002883500000000, -0.0025973600000000, 0.0122928300000000 ] - [ -0.0004075600000000, -0.0019126700000000, 0.0126412300000000 ] - [ 0.0004075600000000, -0.0019126700000000, 0.0126412300000000 ] - [ 0.0000062300000000, -0.0022525900000000, 0.0120729900000000 ] - [ -0.0000062300000000, -0.0022525900000000, 0.0120729900000000 ] - [ 0.0007109100000000, -0.0020213300000000, 0.0122969200000000 ] - [ -0.0007109100000000, -0.0020213300000000, 0.0122969200000000 ] - [ 0.0004315300000000, -0.0034207500000000, 0.0126422200000000 ] - [ -0.0004315300000000, -0.0034207500000000, 0.0126422200000000 ] - [ 0.0000701300000000, -0.0022111600000000, 0.0120742600000000 ] - [ -0.0000701300000000, -0.0022111600000000, 0.0120742600000000 ] - [ 0.0000000000000000, -0.0044885800000000, 0.0069862000000000 ] - [ 0.0000000000000000, -0.0047910200000000, 0.0035148900000000 ] - [ 0.0000000000000000, -0.0036081700000000, 0.0024119500000000 ] - [ 0.0000000000000000, -0.0043175200000000, 0.0037707700000000 ] - [ 0.0000000000000000, -0.0046763300000000, 0.0034028800000000 ] - [ 0.0000000000000000, -0.0046424000000000, 0.0033323800000000 ] - [ 0.0000000000000000, 0.0090590900000000, 0.0147652100000000 ] - [ 0.0000000000000000, -0.0049964400000000, 0.0025747400000000 ] - [ 0.0000000000000000, -0.0060771300000000, 0.0015198900000000 ] - [ 0.0000000000000000, -0.0048927200000000, 0.0027898200000000 ] - [ 0.0000000000000000, -0.0041706400000000, 0.0029759200000000 ] - [ 0.0000000000000000, -0.0046940800000000, 0.0030488400000000 ] - [ -0.0009940400000000, 0.0052277200000000, 0.0022250800000000 ] - [ 0.0009940400000000, 0.0052277200000000, 0.0022250800000000 ] - [ -0.0004623800000000, 0.0062495700000000, 0.0033250000000000 ] - [ 0.0004623800000000, 0.0062495700000000, 0.0033250000000000 ] - [ 0.0000366300000000, 0.0048620700000000, 0.0030392100000000 ] - [ -0.0000366300000000, 0.0048620700000000, 0.0030392100000000 ] - [ 0.0006614200000000, 0.0045128500000000, 0.0044864400000000 ] - [ -0.0006614200000000, 0.0045128500000000, 0.0044864400000000 ] - [ 0.0000901700000000, 0.0042948300000000, 0.0035339400000000 ] - [ -0.0000901700000000, 0.0042948300000000, 0.0035339400000000 ] - [ 0.0000477700000000, 0.0050071700000000, 0.0032046500000000 ] - [ -0.0000477700000000, 0.0050071700000000, 0.0032046500000000 ] - [ -0.0077835500000000, -0.0085372100000000, 0.0175778600000000 ] - [ -0.0100443200000000, -0.0076431000000000, 0.0114866800000000 ] - [ -0.0098805800000000, -0.0071157300000000, 0.0111651300000000 ] - [ -0.0100099400000000, -0.0073715100000000, 0.0111719400000000 ] - [ -0.0100000200000000, -0.0076776400000000, 0.0113855200000000 ] - [ -0.0100548200000000, -0.0074930900000000, 0.0112348900000000 ] - [ -0.0191554700000000, -0.0120516300000000, 0.0215634600000000 ] - [ -0.0097550600000000, -0.0074365100000000, 0.0105747600000000 ] - [ -0.0102232800000000, -0.0077648300000000, 0.0110077200000000 ] - [ -0.0099829300000000, -0.0074865600000000, 0.0109504000000000 ] - [ -0.0104277600000000, -0.0060096400000000, 0.0101940600000000 ] - [ -0.0099256800000000, -0.0073487300000000, 0.0109113300000000 ] - [ 0.0126814600000000, 0.0066899400000000, 0.0104117800000000 ] - [ 0.0091645500000000, 0.0071582000000000, 0.0109570700000000 ] - [ 0.0175741900000000, 0.0103618900000000, 0.0106519400000000 ] - [ 0.0076922800000000, 0.0070770000000000, 0.0110906800000000 ] - [ 0.0099396200000000, 0.0075843000000000, 0.0110699400000000 ] - [ 0.0100665800000000, 0.0076070700000000, 0.0111125900000000 ] - [ 0.0081361800000000, 0.0073692500000000, 0.0120291000000000 ] - [ 0.0110260200000000, 0.0078360900000000, 0.0113345500000000 ] - [ 0.0092488600000000, 0.0069867100000000, 0.0117951600000000 ] - [ 0.0104702700000000, 0.0075324900000000, 0.0113221500000000 ] - [ 0.0100709800000000, 0.0075706800000000, 0.0111956300000000 ] - [ 0.0101707500000000, 0.0075821000000000, 0.0111773800000000 ] - [ -0.0126814600000000, 0.0066899400000000, 0.0104117800000000 ] - [ -0.0091645500000000, 0.0071582000000000, 0.0109570700000000 ] - [ -0.0175741900000000, 0.0103618900000000, 0.0106519400000000 ] - [ -0.0076922800000000, 0.0070770000000000, 0.0110906800000000 ] - [ -0.0099396200000000, 0.0075843000000000, 0.0110699400000000 ] - [ -0.0100665800000000, 0.0076070700000000, 0.0111125900000000 ] - [ -0.0081361800000000, 0.0073692500000000, 0.0120291000000000 ] - [ -0.0110260200000000, 0.0078360900000000, 0.0113345500000000 ] - [ -0.0092488600000000, 0.0069867100000000, 0.0117951600000000 ] - [ -0.0104702700000000, 0.0075324900000000, 0.0113221500000000 ] - [ -0.0100709800000000, 0.0075706800000000, 0.0111956300000000 ] - [ -0.0101707500000000, 0.0075821000000000, 0.0111773800000000 ] - [ 0.0077835500000000, -0.0085372100000000, 0.0175778600000000 ] - [ 0.0100443200000000, -0.0076431000000000, 0.0114866800000000 ] - [ 0.0098805800000000, -0.0071157300000000, 0.0111651300000000 ] - [ 0.0100099400000000, -0.0073715100000000, 0.0111719400000000 ] - [ 0.0100000200000000, -0.0076776400000000, 0.0113855200000000 ] - [ 0.0100548200000000, -0.0074930900000000, 0.0112348900000000 ] - [ 0.0191554700000000, -0.0120516300000000, 0.0215634600000000 ] - [ 0.0097550600000000, -0.0074365100000000, 0.0105747600000000 ] - [ 0.0102232800000000, -0.0077648300000000, 0.0110077200000000 ] - [ 0.0099829300000000, -0.0074865600000000, 0.0109504000000000 ] - [ 0.0104277600000000, -0.0060096400000000, 0.0101940600000000 ] - [ 0.0099256800000000, -0.0073487300000000, 0.0109113300000000 ] - [ 0.0000000000000000, 0.0245539500000000, -0.0385032200000000 ] - [ 0.0000000000000000, 0.0250686900000000, -0.0315268800000000 ] - [ 0.0000000000000000, 0.0232129100000000, -0.0315511700000000 ] - [ 0.0000000000000000, 0.0241235200000000, -0.0310909600000000 ] - [ 0.0000000000000000, 0.0249241900000000, -0.0317774700000000 ] - [ 0.0000000000000000, 0.0246570400000000, -0.0312213900000000 ] - [ 0.0000000000000000, 0.0537180400000000, 0.2499619000000000 ] - [ 0.0000000000000000, 0.0246658500000000, -0.0288840400000000 ] - [ 0.0000000000000000, 0.0258705100000000, -0.0297990400000000 ] - [ 0.0000000000000000, 0.0247859900000000, -0.0302057200000000 ] - [ 0.0000000000000000, 0.0228838300000000, -0.0288867300000000 ] - [ 0.0000000000000000, 0.0245242200000000, -0.0301662200000000 ] - [ 0.0025104600000000, -0.0248096200000000, -0.0316065800000000 ] - [ -0.0025104600000000, -0.0248096200000000, -0.0316065800000000 ] - [ 0.0033618200000000, -0.0269117000000000, -0.0337274500000000 ] - [ -0.0033618200000000, -0.0269117000000000, -0.0337274500000000 ] - [ -0.0001230100000000, -0.0251449200000000, -0.0306885600000000 ] - [ 0.0001230100000000, -0.0251449200000000, -0.0306885600000000 ] - [ -0.0022198700000000, -0.0246935900000000, -0.0311768000000000 ] - [ 0.0022198700000000, -0.0246935900000000, -0.0311768000000000 ] - [ -0.0011506800000000, -0.0237613400000000, -0.0316710900000000 ] - [ 0.0011506800000000, -0.0237613400000000, -0.0316710900000000 ] - [ -0.0001145300000000, -0.0251634500000000, -0.0308953300000000 ] - [ 0.0001145300000000, -0.0251634500000000, -0.0308953300000000 ] - [ 0.0000000000000000, 0.0000925300000000, -0.0064210400000000 ] - [ 0.0000000000000000, -0.0057819900000000, -0.0069055200000000 ] - [ 0.0000000000000000, -0.0111557000000000, -0.0060654500000000 ] - [ 0.0000000000000000, -0.0053952300000000, -0.0072798300000000 ] - [ 0.0000000000000000, -0.0062584100000000, -0.0065829000000000 ] - [ 0.0000000000000000, -0.0062090600000000, -0.0067733900000000 ] - [ 0.0000000000000000, -0.0093492500000000, -0.0135147700000000 ] - [ 0.0000000000000000, -0.0062124200000000, -0.0064314000000000 ] - [ 0.0000000000000000, -0.0022353600000000, -0.0104121300000000 ] - [ 0.0000000000000000, -0.0058035800000000, -0.0067119600000000 ] - [ 0.0000000000000000, -0.0063549300000000, -0.0070278400000000 ] - [ 0.0000000000000000, -0.0062148700000000, -0.0066856100000000 ] - [ -0.0049628800000000, 0.0076405900000000, -0.0022470900000000 ] - [ 0.0049628800000000, 0.0076405900000000, -0.0022470900000000 ] - [ -0.0001346300000000, 0.0056990400000000, -0.0059543000000000 ] - [ 0.0001346300000000, 0.0056990400000000, -0.0059543000000000 ] - [ -0.0006347800000000, 0.0059633100000000, -0.0057116000000000 ] - [ 0.0006347800000000, 0.0059633100000000, -0.0057116000000000 ] - [ 0.0014710500000000, 0.0060841100000000, -0.0086878600000000 ] - [ -0.0014710500000000, 0.0060841100000000, -0.0086878600000000 ] - [ 0.0000619800000000, 0.0057354600000000, -0.0073267700000000 ] - [ -0.0000619800000000, 0.0057354600000000, -0.0073267700000000 ] - [ 0.0000120600000000, 0.0058523600000000, -0.0073732500000000 ] - [ -0.0000120600000000, 0.0058523600000000, -0.0073732500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0435754300000000, 0.3478306900000000 ] - [ 0.0000000000000000, 0.0029540500000000, 0.0132931500000000 ] - [ 0.0000000000000000, 0.0025709500000000, 0.0128889700000000 ] - [ 0.0000000000000000, 0.0021713500000000, 0.0124110400000000 ] - [ 0.0000000000000000, 0.0023470700000000, 0.0128888800000000 ] - [ 0.0000000000000000, 0.0025634500000000, 0.0124114300000000 ] - [ 0.0000000000000000, 0.0019678900000000, 0.0073572900000000 ] - [ 0.0000000000000000, 0.0024170300000000, 0.0116310500000000 ] - [ 0.0000000000000000, 0.0021019500000000, 0.0114525200000000 ] - [ 0.0000000000000000, 0.0021914600000000, 0.0117600000000000 ] - [ 0.0000000000000000, 0.0023813200000000, 0.0114489300000000 ] - [ 0.0000000000000000, 0.0021471200000000, 0.0117596800000000 ] - [ 0.0002907600000000, -0.0022643700000000, 0.0118875300000000 ] - [ -0.0002907600000000, -0.0022643700000000, 0.0118875300000000 ] - [ 0.0004107900000000, -0.0028157600000000, 0.0115396000000000 ] - [ -0.0004107900000000, -0.0028157600000000, 0.0115396000000000 ] - [ -0.0000062400000000, -0.0025292000000000, 0.0121077200000000 ] - [ 0.0000062400000000, -0.0025292000000000, 0.0121077200000000 ] - [ -0.0007149700000000, -0.0028445900000000, 0.0118915700000000 ] - [ 0.0007149700000000, -0.0028445900000000, 0.0118915700000000 ] - [ -0.0004356900000000, -0.0012934000000000, 0.0115404300000000 ] - [ 0.0004356900000000, -0.0012934000000000, 0.0115404300000000 ] - [ -0.0000702400000000, -0.0025720700000000, 0.0121088900000000 ] - [ 0.0000702400000000, -0.0025720700000000, 0.0121088900000000 ] - [ 0.0000000000000000, -0.0050275700000000, -0.0006129300000000 ] - [ 0.0000000000000000, -0.0047185600000000, 0.0028292100000000 ] - [ 0.0000000000000000, -0.0059689000000000, 0.0039477900000000 ] - [ 0.0000000000000000, -0.0052950300000000, 0.0025719000000000 ] - [ 0.0000000000000000, -0.0049131400000000, 0.0029332800000000 ] - [ 0.0000000000000000, -0.0049474000000000, 0.0030049200000000 ] - [ 0.0000000000000000, -0.0189025300000000, -0.0087468100000000 ] - [ 0.0000000000000000, -0.0045122500000000, 0.0037746400000000 ] - [ 0.0000000000000000, -0.0035447600000000, 0.0048436000000000 ] - [ 0.0000000000000000, -0.0047187600000000, 0.0035567300000000 ] - [ 0.0000000000000000, -0.0054218900000000, 0.0033645700000000 ] - [ 0.0000000000000000, -0.0048945400000000, 0.0032906600000000 ] - [ 0.0010061200000000, 0.0043575500000000, 0.0041164300000000 ] - [ -0.0010061200000000, 0.0043575500000000, 0.0041164300000000 ] - [ 0.0004669900000000, 0.0033565600000000, 0.0030188800000000 ] - [ -0.0004669900000000, 0.0033565600000000, 0.0030188800000000 ] - [ -0.0000364900000000, 0.0046475000000000, 0.0033078300000000 ] - [ 0.0000364900000000, 0.0046475000000000, 0.0033078300000000 ] - [ -0.0006660700000000, 0.0050757100000000, 0.0018447000000000 ] - [ 0.0006660700000000, 0.0050757100000000, 0.0018447000000000 ] - [ -0.0000908000000000, 0.0053229700000000, 0.0028067200000000 ] - [ 0.0000908000000000, 0.0053229700000000, 0.0028067200000000 ] - [ -0.0000480200000000, 0.0045000200000000, 0.0031424500000000 ] - [ 0.0000480200000000, 0.0045000200000000, 0.0031424500000000 ] - [ -0.0122443600000000, -0.0063708000000000, 0.0046843800000000 ] - [ -0.0100330200000000, -0.0072733600000000, 0.0107219400000000 ] - [ -0.0102093900000000, -0.0079216600000000, 0.0110320100000000 ] - [ -0.0100808600000000, -0.0076671300000000, 0.0110263400000000 ] - [ -0.0100987100000000, -0.0072603500000000, 0.0107967500000000 ] - [ -0.0100427400000000, -0.0074461800000000, 0.0109503100000000 ] - [ -0.0007119300000000, -0.0027774500000000, 0.0003836800000000 ] - [ -0.0103258700000000, -0.0074815700000000, 0.0116395000000000 ] - [ -0.0098701900000000, -0.0072756500000000, 0.0111944800000000 ] - [ -0.0101078500000000, -0.0075516400000000, 0.0112495700000000 ] - [ -0.0096643100000000, -0.0089427300000000, 0.0119982100000000 ] - [ -0.0101726200000000, -0.0075915800000000, 0.0112762800000000 ] - [ 0.0073896600000000, 0.0082681200000000, 0.0117595500000000 ] - [ 0.0109441700000000, 0.0077838800000000, 0.0112299300000000 ] - [ 0.0024751000000000, 0.0046554500000000, 0.0115269500000000 ] - [ 0.0124062100000000, 0.0079607500000000, 0.0111104900000000 ] - [ 0.0101382700000000, 0.0073323800000000, 0.0111399400000000 ] - [ 0.0100117900000000, 0.0073096400000000, 0.0110973800000000 ] - [ 0.0119704800000000, 0.0075689900000000, 0.0101519700000000 ] - [ 0.0090662100000000, 0.0071003100000000, 0.0108500700000000 ] - [ 0.0108475700000000, 0.0080570500000000, 0.0103983000000000 ] - [ 0.0096164100000000, 0.0075055200000000, 0.0108750700000000 ] - [ 0.0100070500000000, 0.0073460500000000, 0.0110150100000000 ] - [ 0.0099068200000000, 0.0073347300000000, 0.0110328700000000 ] - [ -0.0073896600000000, 0.0082681200000000, 0.0117595500000000 ] - [ -0.0109441700000000, 0.0077838800000000, 0.0112299300000000 ] - [ -0.0024751000000000, 0.0046554500000000, 0.0115269500000000 ] - [ -0.0124062100000000, 0.0079607500000000, 0.0111104900000000 ] - [ -0.0101382700000000, 0.0073323800000000, 0.0111399400000000 ] - [ -0.0100117900000000, 0.0073096400000000, 0.0110973800000000 ] - [ -0.0119704800000000, 0.0075689900000000, 0.0101519700000000 ] - [ -0.0090662100000000, 0.0071003100000000, 0.0108500700000000 ] - [ -0.0108475700000000, 0.0080570500000000, 0.0103983000000000 ] - [ -0.0096164100000000, 0.0075055200000000, 0.0108750700000000 ] - [ -0.0100070500000000, 0.0073460500000000, 0.0110150100000000 ] - [ -0.0099068200000000, 0.0073347300000000, 0.0110328700000000 ] - [ 0.0122443600000000, -0.0063708000000000, 0.0046843800000000 ] - [ 0.0100330200000000, -0.0072733600000000, 0.0107219400000000 ] - [ 0.0102093900000000, -0.0079216600000000, 0.0110320100000000 ] - [ 0.0100808600000000, -0.0076671300000000, 0.0110263400000000 ] - [ 0.0100987100000000, -0.0072603500000000, 0.0107967500000000 ] - [ 0.0100427400000000, -0.0074461800000000, 0.0109503100000000 ] - [ 0.0007119300000000, -0.0027774500000000, 0.0003836800000000 ] - [ 0.0103258700000000, -0.0074815700000000, 0.0116395000000000 ] - [ 0.0098701900000000, -0.0072756500000000, 0.0111944800000000 ] - [ 0.0101078500000000, -0.0075516400000000, 0.0112495700000000 ] - [ 0.0096643100000000, -0.0089427300000000, 0.0119982100000000 ] - [ 0.0101726200000000, -0.0075915800000000, 0.0112762800000000 ] - [ 0.0000000000000000, 0.0249998400000000, -0.0229398400000000 ] - [ 0.0000000000000000, 0.0245256500000000, -0.0299579200000000 ] - [ 0.0000000000000000, 0.0263252600000000, -0.0299223900000000 ] - [ 0.0000000000000000, 0.0254291500000000, -0.0303912400000000 ] - [ 0.0000000000000000, 0.0246376700000000, -0.0296991500000000 ] - [ 0.0000000000000000, 0.0249074600000000, -0.0302619900000000 ] - [ 0.0000000000000000, -0.0068433300000000, -0.3309832400000000 ] - [ 0.0000000000000000, 0.0249315500000000, -0.0326158000000000 ] - [ 0.0000000000000000, 0.0236886000000000, -0.0316929800000000 ] - [ 0.0000000000000000, 0.0247649200000000, -0.0312818800000000 ] - [ 0.0000000000000000, 0.0266958900000000, -0.0326140700000000 ] - [ 0.0000000000000000, 0.0250408100000000, -0.0313241400000000 ] - [ -0.0025467800000000, -0.0247514500000000, -0.0298530100000000 ] - [ 0.0025467800000000, -0.0247514500000000, -0.0298530100000000 ] - [ -0.0033946700000000, -0.0226220600000000, -0.0277380100000000 ] - [ 0.0033946700000000, -0.0226220600000000, -0.0277380100000000 ] - [ 0.0001230100000000, -0.0244484900000000, -0.0307990000000000 ] - [ -0.0001230100000000, -0.0244484900000000, -0.0307990000000000 ] - [ 0.0022319200000000, -0.0248653200000000, -0.0303048500000000 ] - [ -0.0022319200000000, -0.0248653200000000, -0.0303048500000000 ] - [ 0.0011594100000000, -0.0257996600000000, -0.0298040100000000 ] - [ -0.0011594100000000, -0.0257996600000000, -0.0298040100000000 ] - [ 0.0001151000000000, -0.0244286700000000, -0.0305941800000000 ] - [ -0.0001151000000000, -0.0244286700000000, -0.0305941800000000 ] - [ 0.0000000000000000, -0.0121585100000000, -0.0069716700000000 ] - [ 0.0000000000000000, -0.0062382300000000, -0.0065300400000000 ] - [ 0.0000000000000000, -0.0006795700000000, -0.0072547800000000 ] - [ 0.0000000000000000, -0.0065817700000000, -0.0061617500000000 ] - [ 0.0000000000000000, -0.0057194100000000, -0.0068489200000000 ] - [ 0.0000000000000000, -0.0057708200000000, -0.0066602500000000 ] - [ 0.0000000000000000, -0.0026431700000000, 0.0001622500000000 ] - [ 0.0000000000000000, -0.0058040900000000, -0.0070094600000000 ] - [ 0.0000000000000000, -0.0097743100000000, -0.0030069900000000 ] - [ 0.0000000000000000, -0.0061721700000000, -0.0067304500000000 ] - [ 0.0000000000000000, -0.0056244900000000, -0.0064078400000000 ] - [ 0.0000000000000000, -0.0057649100000000, -0.0067495100000000 ] - [ 0.0049871800000000, 0.0043351300000000, -0.0112425600000000 ] - [ -0.0049871800000000, 0.0043351300000000, -0.0112425600000000 ] - [ 0.0001330400000000, 0.0062771800000000, -0.0074919300000000 ] - [ -0.0001330400000000, 0.0062771800000000, -0.0074919300000000 ] - [ 0.0006370200000000, 0.0060524200000000, -0.0077366000000000 ] - [ -0.0006370200000000, 0.0060524200000000, -0.0077366000000000 ] - [ -0.0014717900000000, 0.0058935700000000, -0.0047357500000000 ] - [ 0.0014717900000000, 0.0058935700000000, -0.0047357500000000 ] - [ -0.0000615000000000, 0.0062401300000000, -0.0061108800000000 ] - [ 0.0000615000000000, 0.0062401300000000, -0.0061108800000000 ] - [ -0.0000121200000000, 0.0061656400000000, -0.0060615000000000 ] - [ 0.0000121200000000, 0.0061656400000000, -0.0060615000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003519400000000, 0.0023940600000000, 0.0120876500000000 ] - [ 0.0002102000000000, 0.0023921800000000, 0.0120907900000000 ] - [ -0.0000911300000000, 0.0023620300000000, 0.0120930200000000 ] - [ 0.0000797800000000, 0.0023624100000000, 0.0120933400000000 ] - [ -0.0002604000000000, 0.0024258400000000, 0.0120876100000000 ] - [ 0.0001524400000000, 0.0024293000000000, 0.0120929600000000 ] - [ -0.0053077700000000, 0.0023780900000000, 0.0120790800000000 ] - [ 0.0002406800000000, 0.0023927900000000, 0.0120917100000000 ] - [ -0.0000243800000000, 0.0023620300000000, 0.0120936900000000 ] - [ 0.0000703400000000, 0.0023624000000000, 0.0120936900000000 ] - [ -0.0003044600000000, 0.0024277200000000, 0.0120931700000000 ] - [ 0.0001579400000000, 0.0024298300000000, 0.0120938300000000 ] - [ 0.0017294800000000, -0.0020517900000000, 0.0130900700000000 ] - [ 0.0017594800000000, -0.0028081700000000, 0.0110887600000000 ] - [ 0.0003129500000000, -0.0029823300000000, 0.0125602800000000 ] - [ 0.0003114000000000, -0.0017465200000000, 0.0116311900000000 ] - [ 0.0000062300000000, -0.0022828600000000, 0.0120548800000000 ] - [ 0.0000062300000000, -0.0025011800000000, 0.0121276900000000 ] - [ 0.0002646200000000, -0.0024540600000000, 0.0114307000000000 ] - [ 0.0002654900000000, -0.0024019100000000, 0.0127577500000000 ] - [ 0.0000471100000000, -0.0023824600000000, 0.0120022900000000 ] - [ 0.0000458600000000, -0.0023437600000000, 0.0121829900000000 ] - [ -0.0000010300000000, -0.0022980300000000, 0.0120425800000000 ] - [ -0.0000009100000000, -0.0024855900000000, 0.0121395400000000 ] - [ -0.0280552900000000, -0.0042050400000000, 0.0031942400000000 ] - [ 0.0003974300000000, -0.0047516400000000, 0.0031745500000000 ] - [ -0.0002773100000000, -0.0048079600000000, 0.0031733900000000 ] - [ 0.0001195600000000, -0.0048061500000000, 0.0031720900000000 ] - [ -0.0002772300000000, -0.0047950200000000, 0.0031676900000000 ] - [ 0.0001195300000000, -0.0047953700000000, 0.0031689500000000 ] - [ -0.0002464200000000, -0.0047520400000000, 0.0031715700000000 ] - [ 0.0002207200000000, -0.0047528900000000, 0.0031735200000000 ] - [ -0.0001007000000000, -0.0048067500000000, 0.0031720600000000 ] - [ 0.0000882600000000, -0.0048066300000000, 0.0031714300000000 ] - [ -0.0001006700000000, -0.0047962000000000, 0.0031673400000000 ] - [ 0.0000882500000000, -0.0047951100000000, 0.0031685300000000 ] - [ 0.0002737300000000, 0.0044480100000000, 0.0037059400000000 ] - [ 0.0002740500000000, 0.0051477700000000, 0.0026303800000000 ] - [ 0.0000299900000000, 0.0044607700000000, 0.0034191300000000 ] - [ 0.0000298800000000, 0.0051489100000000, 0.0029267700000000 ] - [ 0.0000090000000000, 0.0049651600000000, 0.0031674600000000 ] - [ 0.0000092400000000, 0.0045402900000000, 0.0031803600000000 ] - [ 0.0002744300000000, 0.0048715100000000, 0.0027643700000000 ] - [ 0.0002733500000000, 0.0047239900000000, 0.0035709500000000 ] - [ 0.0000306000000000, 0.0046610000000000, 0.0032122100000000 ] - [ 0.0000292800000000, 0.0049479700000000, 0.0031313900000000 ] - [ 0.0000089400000000, 0.0049627100000000, 0.0031420100000000 ] - [ 0.0000092800000000, 0.0045428300000000, 0.0032061400000000 ] - [ -0.0116146900000000, 0.0065268200000000, 0.0104943400000000 ] - [ -0.0092380300000000, -0.0073413400000000, 0.0109222700000000 ] - [ -0.0103039300000000, -0.0076283400000000, 0.0111646200000000 ] - [ -0.0098138800000000, -0.0074936300000000, 0.0110741300000000 ] - [ -0.0106940000000000, -0.0092040900000000, 0.0112362200000000 ] - [ -0.0095239400000000, -0.0072702600000000, 0.0110215000000000 ] - [ -0.0105798200000000, -0.0075549900000000, 0.0110577300000000 ] - [ -0.0095277800000000, -0.0073722300000000, 0.0110833200000000 ] - [ -0.0102483500000000, -0.0075553400000000, 0.0111051800000000 ] - [ -0.0098464500000000, -0.0074829200000000, 0.0110955400000000 ] - [ -0.0105092600000000, -0.0076626700000000, 0.0111458100000000 ] - [ -0.0096794600000000, -0.0073214400000000, 0.0110569900000000 ] - [ 0.0118722200000000, 0.0076310300000000, 0.0103198700000000 ] - [ 0.0110955200000000, 0.0078693600000000, 0.0115907600000000 ] - [ 0.0104410500000000, 0.0078380500000000, 0.0107740600000000 ] - [ 0.0103704900000000, 0.0075137500000000, 0.0112106100000000 ] - [ 0.0099368900000000, 0.0074057400000000, 0.0110874600000000 ] - [ 0.0101411200000000, 0.0075109100000000, 0.0111237800000000 ] - [ 0.0118666500000000, 0.0070001000000000, 0.0133756900000000 ] - [ 0.0108511200000000, 0.0076381400000000, 0.0111893100000000 ] - [ 0.0099084400000000, 0.0077460300000000, 0.0113932900000000 ] - [ 0.0102040300000000, 0.0074123300000000, 0.0110153000000000 ] - [ 0.0099484900000000, 0.0073962600000000, 0.0110887800000000 ] - [ 0.0101327900000000, 0.0075263400000000, 0.0111208000000000 ] - [ -0.0082342300000000, 0.0073077900000000, 0.0118587100000000 ] - [ -0.0089970700000000, 0.0070694800000000, 0.0105919900000000 ] - [ -0.0096511800000000, 0.0072016900000000, 0.0114255100000000 ] - [ -0.0097219700000000, 0.0075263900000000, 0.0109901500000000 ] - [ -0.0101409600000000, 0.0075096500000000, 0.0111221700000000 ] - [ -0.0099360200000000, 0.0074044600000000, 0.0110854600000000 ] - [ -0.0082494700000000, 0.0079299100000000, 0.0088389500000000 ] - [ -0.0092447400000000, 0.0073033100000000, 0.0109969300000000 ] - [ -0.0101708200000000, 0.0072865000000000, 0.0108021300000000 ] - [ -0.0098913900000000, 0.0076269800000000, 0.0111832100000000 ] - [ -0.0101296700000000, 0.0075193700000000, 0.0111208700000000 ] - [ -0.0099451900000000, 0.0073895400000000, 0.0110890100000000 ] - [ 0.0084688700000000, -0.0212819200000000, 0.0116778600000000 ] - [ 0.0108393700000000, -0.0075734100000000, 0.0112871200000000 ] - [ 0.0097877800000000, -0.0074122000000000, 0.0110352800000000 ] - [ 0.0102769400000000, -0.0075457000000000, 0.0111252600000000 ] - [ 0.0093895300000000, -0.0057447800000000, 0.0109531500000000 ] - [ 0.0105743300000000, -0.0076701200000000, 0.0111651200000000 ] - [ 0.0094987000000000, -0.0073579500000000, 0.0111454400000000 ] - [ 0.0105498500000000, -0.0075432400000000, 0.0111257700000000 ] - [ 0.0098432500000000, -0.0074850600000000, 0.0110945900000000 ] - [ 0.0102444100000000, -0.0075563100000000, 0.0111036800000000 ] - [ 0.0095881100000000, -0.0072766300000000, 0.0110385500000000 ] - [ 0.0104183800000000, -0.0076184700000000, 0.0111288600000000 ] - [ 0.0331731400000000, 0.0240555400000000, -0.0308711600000000 ] - [ -0.0013236300000000, 0.0247927900000000, -0.0307450100000000 ] - [ 0.0001187400000000, 0.0247794900000000, -0.0307421900000000 ] - [ -0.0003527700000000, 0.0247767300000000, -0.0307424500000000 ] - [ 0.0016546400000000, 0.0247963900000000, -0.0307393400000000 ] - [ -0.0007318300000000, 0.0247835200000000, -0.0307433900000000 ] - [ 0.0005726200000000, 0.0247918300000000, -0.0307384700000000 ] - [ -0.0007852000000000, 0.0247947400000000, -0.0307438400000000 ] - [ 0.0003256500000000, 0.0247784900000000, -0.0307420000000000 ] - [ -0.0002950400000000, 0.0247770200000000, -0.0307420900000000 ] - [ 0.0006790800000000, 0.0247828000000000, -0.0307371300000000 ] - [ -0.0005652800000000, 0.0247832100000000, -0.0307420900000000 ] - [ -0.0017601100000000, -0.0245420500000000, -0.0327401200000000 ] - [ -0.0017750700000000, -0.0250328100000000, -0.0287312800000000 ] - [ -0.0005141100000000, -0.0241819500000000, -0.0315000600000000 ] - [ -0.0005127300000000, -0.0253686800000000, -0.0299924500000000 ] - [ 0.0000003300000000, -0.0250697300000000, -0.0307932200000000 ] - [ 0.0000000500000000, -0.0245189100000000, -0.0306960500000000 ] - [ -0.0015130300000000, -0.0243782400000000, -0.0301557800000000 ] - [ -0.0015113800000000, -0.0251963800000000, -0.0313298100000000 ] - [ -0.0002302300000000, -0.0244876800000000, -0.0306775900000000 ] - [ -0.0002205800000000, -0.0250580700000000, -0.0308003300000000 ] - [ 0.0000093100000000, -0.0250825800000000, -0.0307476300000000 ] - [ 0.0000087400000000, -0.0245063600000000, -0.0307414600000000 ] - [ -0.0020867900000000, -0.0059568100000000, -0.0065896800000000 ] - [ -0.0011525900000000, -0.0060084700000000, -0.0067206400000000 ] - [ 0.0023146900000000, -0.0059887900000000, -0.0067210000000000 ] - [ -0.0005632100000000, -0.0059885100000000, -0.0067209700000000 ] - [ 0.0001848900000000, -0.0059878500000000, -0.0067176200000000 ] - [ -0.0001923100000000, -0.0059885500000000, -0.0067174000000000 ] - [ 0.0020640400000000, -0.0060136700000000, -0.0067243800000000 ] - [ -0.0008199300000000, -0.0060091500000000, -0.0067200700000000 ] - [ 0.0004167000000000, -0.0059775500000000, -0.0067150800000000 ] - [ -0.0003926600000000, -0.0059888700000000, -0.0067200500000000 ] - [ 0.0001695700000000, -0.0059876500000000, -0.0067167500000000 ] - [ -0.0001690200000000, -0.0059886400000000, -0.0067171500000000 ] - [ -0.0000101700000000, 0.0062198900000000, -0.0071947400000000 ] - [ -0.0000079500000000, 0.0057565400000000, -0.0062368100000000 ] - [ -0.0000030400000000, 0.0060613200000000, -0.0068874200000000 ] - [ -0.0000027500000000, 0.0059175200000000, -0.0065542700000000 ] - [ -0.0000670200000000, 0.0053845600000000, -0.0069546800000000 ] - [ -0.0000684900000000, 0.0066352600000000, -0.0064829700000000 ] - [ -0.0030658200000000, 0.0068874400000000, -0.0055679700000000 ] - [ -0.0030560500000000, 0.0050866900000000, -0.0078651400000000 ] - [ 0.0000137400000000, 0.0061057400000000, -0.0067363600000000 ] - [ 0.0000142300000000, 0.0058736300000000, -0.0067060600000000 ] - [ -0.0004372100000000, 0.0048229500000000, -0.0066360900000000 ] - [ -0.0004363200000000, 0.0071968800000000, -0.0068066300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0003511900000000, 0.0123756200000000 ] - [ 0.0000000000000000, 0.0016518600000000, 0.0120543500000000 ] - [ 0.0000000000000000, 0.0030538900000000, 0.0122125100000000 ] - [ 0.0000000000000000, 0.0027637600000000, 0.0122466000000000 ] - [ 0.0000000000000000, 0.0018118800000000, 0.0132582200000000 ] - [ 0.0000000000000000, 0.0030559900000000, 0.0125836700000000 ] - [ 0.0000000000000000, 0.0106585600000000, 0.0262646500000000 ] - [ 0.0000000000000000, 0.0015249100000000, 0.0118486300000000 ] - [ 0.0000000000000000, 0.0037591400000000, 0.0127217200000000 ] - [ 0.0000000000000000, 0.0027749500000000, 0.0121944400000000 ] - [ 0.0000000000000000, 0.0043204000000000, 0.0108249200000000 ] - [ 0.0000000000000000, 0.0026478000000000, 0.0120066800000000 ] - [ 0.0010194000000000, -0.0042753400000000, 0.0116620800000000 ] - [ -0.0010194000000000, -0.0042753400000000, 0.0116620800000000 ] - [ -0.0007645100000000, -0.0007695900000000, 0.0106407400000000 ] - [ 0.0007645100000000, -0.0007695900000000, 0.0106407400000000 ] - [ 0.0001752300000000, -0.0015160400000000, 0.0119836500000000 ] - [ -0.0001752300000000, -0.0015160400000000, 0.0119836500000000 ] - [ 0.0003185600000000, -0.0037421000000000, 0.0123750200000000 ] - [ -0.0003185600000000, -0.0037421000000000, 0.0123750200000000 ] - [ -0.0003549300000000, -0.0021345400000000, 0.0126103600000000 ] - [ 0.0003549300000000, -0.0021345400000000, 0.0126103600000000 ] - [ 0.0000458400000000, -0.0018186700000000, 0.0118362900000000 ] - [ -0.0000458400000000, -0.0018186700000000, 0.0118362900000000 ] - [ 0.0000000000000000, -0.3318741900000000, -0.0595541400000000 ] - [ 0.0000000000000000, -0.0063145500000000, 0.0025020100000000 ] - [ 0.0000000000000000, -0.0019924200000000, 0.0037832100000000 ] - [ 0.0000000000000000, -0.0043707700000000, 0.0032765200000000 ] - [ 0.0000000000000000, -0.0019800500000000, 0.0036367300000000 ] - [ 0.0000000000000000, -0.0043587800000000, 0.0032073200000000 ] - [ 0.0000000000000000, -0.0061953700000000, 0.0032010600000000 ] - [ 0.0000000000000000, -0.0055294700000000, 0.0031405100000000 ] - [ 0.0000000000000000, -0.0040102700000000, 0.0031870700000000 ] - [ 0.0000000000000000, -0.0043409500000000, 0.0034403600000000 ] - [ 0.0000000000000000, -0.0040014000000000, 0.0035540000000000 ] - [ 0.0000000000000000, -0.0043292200000000, 0.0034300800000000 ] - [ 0.0000744100000000, 0.0021722100000000, 0.0029596200000000 ] - [ -0.0000744100000000, 0.0021722100000000, 0.0029596200000000 ] - [ -0.0001442300000000, 0.0057535200000000, 0.0025007400000000 ] - [ 0.0001442300000000, 0.0057535200000000, 0.0025007400000000 ] - [ 0.0002109200000000, 0.0056731400000000, 0.0030556100000000 ] - [ -0.0002109200000000, 0.0056731400000000, 0.0030556100000000 ] - [ -0.0003509000000000, 0.0021705800000000, 0.0046068300000000 ] - [ 0.0003509000000000, 0.0021705800000000, 0.0046068300000000 ] - [ -0.0003456000000000, 0.0057539200000000, 0.0032171500000000 ] - [ 0.0003456000000000, 0.0057539200000000, 0.0032171500000000 ] - [ 0.0002129100000000, 0.0056734100000000, 0.0026083000000000 ] - [ -0.0002129100000000, 0.0056734100000000, 0.0026083000000000 ] - [ 0.0010272000000000, 0.0050185900000000, 0.0080595600000000 ] - [ -0.0103707500000000, -0.0080456300000000, 0.0114461800000000 ] - [ -0.0095122600000000, -0.0061789200000000, 0.0107058400000000 ] - [ -0.0100492600000000, -0.0071621600000000, 0.0110057100000000 ] - [ -0.0127422000000000, -0.0000308400000000, 0.0089853400000000 ] - [ -0.0098906300000000, -0.0072958800000000, 0.0108794300000000 ] - [ -0.0098316600000000, -0.0082758300000000, 0.0124323900000000 ] - [ -0.0102129800000000, -0.0078749500000000, 0.0113375100000000 ] - [ -0.0098815900000000, -0.0069560700000000, 0.0109498500000000 ] - [ -0.0100647400000000, -0.0072185900000000, 0.0110162300000000 ] - [ -0.0101261000000000, -0.0074203400000000, 0.0112822000000000 ] - [ -0.0099849800000000, -0.0073946400000000, 0.0111655600000000 ] - [ 0.0017168600000000, 0.0056967700000000, 0.0137023100000000 ] - [ 0.0122344700000000, 0.0072814800000000, 0.0108738400000000 ] - [ 0.0109313000000000, 0.0079438400000000, 0.0104923100000000 ] - [ 0.0093192100000000, 0.0071991500000000, 0.0107128300000000 ] - [ 0.0099794400000000, 0.0080334400000000, 0.0113426200000000 ] - [ 0.0103760400000000, 0.0080404200000000, 0.0113312400000000 ] - [ 0.0079843000000000, 0.0056324900000000, 0.0096537100000000 ] - [ 0.0106683000000000, 0.0069045000000000, 0.0109672400000000 ] - [ 0.0124044700000000, 0.0090196500000000, 0.0121763800000000 ] - [ 0.0088987400000000, 0.0074269800000000, 0.0112770800000000 ] - [ 0.0099613500000000, 0.0080394500000000, 0.0111632900000000 ] - [ 0.0102876700000000, 0.0079513000000000, 0.0112493600000000 ] - [ -0.0017168600000000, 0.0056967700000000, 0.0137023100000000 ] - [ -0.0122344700000000, 0.0072814800000000, 0.0108738400000000 ] - [ -0.0109313000000000, 0.0079438400000000, 0.0104923100000000 ] - [ -0.0093192100000000, 0.0071991500000000, 0.0107128300000000 ] - [ -0.0099794400000000, 0.0080334400000000, 0.0113426200000000 ] - [ -0.0103760400000000, 0.0080404200000000, 0.0113312400000000 ] - [ -0.0079843000000000, 0.0056324900000000, 0.0096537100000000 ] - [ -0.0106683000000000, 0.0069045000000000, 0.0109672400000000 ] - [ -0.0124044700000000, 0.0090196500000000, 0.0121763800000000 ] - [ -0.0088987400000000, 0.0074269800000000, 0.0112770800000000 ] - [ -0.0099613500000000, 0.0080394500000000, 0.0111632900000000 ] - [ -0.0102876700000000, 0.0079513000000000, 0.0112493600000000 ] - [ -0.0010272000000000, 0.0050185900000000, 0.0080595600000000 ] - [ 0.0103707500000000, -0.0080456300000000, 0.0114461800000000 ] - [ 0.0095122600000000, -0.0061789200000000, 0.0107058400000000 ] - [ 0.0100492600000000, -0.0071621600000000, 0.0110057100000000 ] - [ 0.0127422000000000, -0.0000308400000000, 0.0089853400000000 ] - [ 0.0098906300000000, -0.0072958800000000, 0.0108794300000000 ] - [ 0.0098316600000000, -0.0082758300000000, 0.0124323900000000 ] - [ 0.0102129800000000, -0.0078749500000000, 0.0113375100000000 ] - [ 0.0098815900000000, -0.0069560700000000, 0.0109498500000000 ] - [ 0.0100647400000000, -0.0072185900000000, 0.0110162300000000 ] - [ 0.0101261000000000, -0.0074203400000000, 0.0112822000000000 ] - [ 0.0099849800000000, -0.0073946400000000, 0.0111655600000000 ] - [ 0.0000000000000000, 0.3133668600000000, 0.0201023700000000 ] - [ 0.0000000000000000, 0.0273521500000000, -0.0309737500000000 ] - [ 0.0000000000000000, 0.0207166100000000, -0.0306090300000000 ] - [ 0.0000000000000000, 0.0240158400000000, -0.0307700000000000 ] - [ 0.0000000000000000, 0.0186357900000000, -0.0293341100000000 ] - [ 0.0000000000000000, 0.0240273100000000, -0.0303963400000000 ] - [ 0.0000000000000000, 0.0273437300000000, -0.0324221000000000 ] - [ 0.0000000000000000, 0.0261393100000000, -0.0310238500000000 ] - [ 0.0000000000000000, 0.0231621400000000, -0.0306845100000000 ] - [ 0.0000000000000000, 0.0240132500000000, -0.0308315500000000 ] - [ 0.0000000000000000, 0.0238266500000000, -0.0320429600000000 ] - [ 0.0000000000000000, 0.0242238600000000, -0.0312906200000000 ] - [ -0.0051442300000000, -0.0190191000000000, -0.0279884800000000 ] - [ 0.0051442300000000, -0.0190191000000000, -0.0279884800000000 ] - [ 0.0015161700000000, -0.0259045500000000, -0.0286329200000000 ] - [ -0.0015161700000000, -0.0259045500000000, -0.0286329200000000 ] - [ -0.0004023700000000, -0.0263839500000000, -0.0310403400000000 ] - [ 0.0004023700000000, -0.0263839500000000, -0.0310403400000000 ] - [ -0.0009918100000000, -0.0202910800000000, -0.0307013300000000 ] - [ 0.0009918100000000, -0.0202910800000000, -0.0307013300000000 ] - [ 0.0023531300000000, -0.0262841600000000, -0.0321792700000000 ] - [ -0.0023531300000000, -0.0262841600000000, -0.0321792700000000 ] - [ -0.0003557100000000, -0.0263416400000000, -0.0306323700000000 ] - [ 0.0003557100000000, -0.0263416400000000, -0.0306323700000000 ] - [ 0.0000000000000000, -0.0072715400000000, -0.0092020500000000 ] - [ 0.0000000000000000, -0.0059975200000000, -0.0059634700000000 ] - [ 0.0000000000000000, -0.0086233900000000, -0.0026060200000000 ] - [ 0.0000000000000000, -0.0056240300000000, -0.0067389000000000 ] - [ 0.0000000000000000, -0.0078693000000000, -0.0073936700000000 ] - [ 0.0000000000000000, -0.0067960800000000, -0.0066325700000000 ] - [ 0.0000000000000000, -0.0034172700000000, -0.0030834800000000 ] - [ 0.0000000000000000, -0.0056655100000000, -0.0065940400000000 ] - [ 0.0000000000000000, -0.0105311500000000, -0.0094683300000000 ] - [ 0.0000000000000000, -0.0055221400000000, -0.0072228700000000 ] - [ 0.0000000000000000, -0.0078659400000000, -0.0066045800000000 ] - [ 0.0000000000000000, -0.0067409900000000, -0.0067461700000000 ] - [ 0.0006265500000000, 0.0070911700000000, -0.0072304700000000 ] - [ -0.0006265500000000, 0.0070911700000000, -0.0072304700000000 ] - [ 0.0001020700000000, 0.0048742400000000, -0.0065983000000000 ] - [ -0.0001020700000000, 0.0048742400000000, -0.0065983000000000 ] - [ -0.0006136800000000, 0.0054342300000000, -0.0074138500000000 ] - [ 0.0006136800000000, 0.0054342300000000, -0.0074138500000000 ] - [ 0.0062167000000000, 0.0063827600000000, -0.0090210300000000 ] - [ -0.0062167000000000, 0.0063827600000000, -0.0090210300000000 ] - [ 0.0002339400000000, 0.0045832800000000, -0.0066764400000000 ] - [ -0.0002339400000000, 0.0045832800000000, -0.0066764400000000 ] - [ -0.0026011800000000, 0.0059474800000000, -0.0055816400000000 ] - [ 0.0026011800000000, 0.0059474800000000, -0.0055816400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0051022300000000, 0.0118368500000000 ] - [ 0.0000000000000000, 0.0031248300000000, 0.0121270500000000 ] - [ 0.0000000000000000, 0.0016780700000000, 0.0119760100000000 ] - [ 0.0000000000000000, 0.0019655500000000, 0.0119418600000000 ] - [ 0.0000000000000000, 0.0030310700000000, 0.0108976400000000 ] - [ 0.0000000000000000, 0.0018087800000000, 0.0116063700000000 ] - [ 0.0000000000000000, -0.0055847600000000, -0.0016965800000000 ] - [ 0.0000000000000000, 0.0032509900000000, 0.0123329000000000 ] - [ 0.0000000000000000, 0.0009781700000000, 0.0114707200000000 ] - [ 0.0000000000000000, 0.0019547100000000, 0.0119941300000000 ] - [ 0.0000000000000000, 0.0005326500000000, 0.0133571000000000 ] - [ 0.0000000000000000, 0.0022159400000000, 0.0121809000000000 ] - [ -0.0009983500000000, -0.0005947300000000, 0.0125323600000000 ] - [ 0.0009983500000000, -0.0005947300000000, 0.0125323600000000 ] - [ 0.0007565400000000, -0.0039371100000000, 0.0135342300000000 ] - [ -0.0007565400000000, -0.0039371100000000, 0.0135342300000000 ] - [ -0.0001737900000000, -0.0032591600000000, 0.0121983500000000 ] - [ 0.0001737900000000, -0.0032591600000000, 0.0121983500000000 ] - [ -0.0003145000000000, -0.0011286800000000, 0.0118123100000000 ] - [ 0.0003145000000000, -0.0011286800000000, 0.0118123100000000 ] - [ 0.0003515100000000, -0.0025896700000000, 0.0115826500000000 ] - [ -0.0003515100000000, -0.0025896700000000, 0.0115826500000000 ] - [ -0.0000457300000000, -0.0029582800000000, 0.0123435200000000 ] - [ 0.0000457300000000, -0.0029582800000000, 0.0123435200000000 ] - [ 0.0000000000000000, 0.3033297800000000, 0.0617205100000000 ] - [ 0.0000000000000000, -0.0032039700000000, 0.0038417700000000 ] - [ 0.0000000000000000, -0.0076024800000000, 0.0025680200000000 ] - [ 0.0000000000000000, -0.0052374500000000, 0.0030685400000000 ] - [ 0.0000000000000000, -0.0075891300000000, 0.0026986300000000 ] - [ 0.0000000000000000, -0.0052252400000000, 0.0031314600000000 ] - [ 0.0000000000000000, -0.0033316400000000, 0.0031544900000000 ] - [ 0.0000000000000000, -0.0039855700000000, 0.0032050900000000 ] - [ 0.0000000000000000, -0.0055922800000000, 0.0031565300000000 ] - [ 0.0000000000000000, -0.0052675100000000, 0.0029055100000000 ] - [ 0.0000000000000000, -0.0055832000000000, 0.0027814800000000 ] - [ 0.0000000000000000, -0.0052556600000000, 0.0029093100000000 ] - [ -0.0000730100000000, 0.0073970900000000, 0.0033798600000000 ] - [ 0.0000730100000000, 0.0073970900000000, 0.0033798600000000 ] - [ 0.0001429300000000, 0.0038670300000000, 0.0038377300000000 ] - [ -0.0001429300000000, 0.0038670300000000, 0.0038377300000000 ] - [ -0.0002096500000000, 0.0038433100000000, 0.0032918100000000 ] - [ 0.0002096500000000, 0.0038433100000000, 0.0032918100000000 ] - [ 0.0003496300000000, 0.0073956200000000, 0.0017428400000000 ] - [ -0.0003496300000000, 0.0073956200000000, 0.0017428400000000 ] - [ 0.0003422700000000, 0.0038673400000000, 0.0031274100000000 ] - [ -0.0003422700000000, 0.0038673400000000, 0.0031274100000000 ] - [ -0.0002116200000000, 0.0038436500000000, 0.0037346600000000 ] - [ 0.0002116200000000, 0.0038436500000000, 0.0037346600000000 ] - [ -0.0208034900000000, -0.0196074900000000, 0.0140892600000000 ] - [ -0.0097104900000000, -0.0068764000000000, 0.0107689900000000 ] - [ -0.0105745900000000, -0.0088484900000000, 0.0114901100000000 ] - [ -0.0100417700000000, -0.0078728500000000, 0.0111925000000000 ] - [ -0.0072976600000000, -0.0149805100000000, 0.0131869100000000 ] - [ -0.0102046000000000, -0.0076414500000000, 0.0113051100000000 ] - [ -0.0102447900000000, -0.0066501300000000, 0.0097974900000000 ] - [ -0.0098658900000000, -0.0070449500000000, 0.0108741900000000 ] - [ -0.0102081100000000, -0.0080780600000000, 0.0112483500000000 ] - [ -0.0100263600000000, -0.0078171300000000, 0.0111821900000000 ] - [ -0.0099710200000000, -0.0075143200000000, 0.0109013200000000 ] - [ -0.0101124100000000, -0.0075435500000000, 0.0110206700000000 ] - [ 0.0183457300000000, 0.0092389400000000, 0.0084820400000000 ] - [ 0.0078760400000000, 0.0076557700000000, 0.0113157700000000 ] - [ 0.0091688300000000, 0.0070996500000000, 0.0116995100000000 ] - [ 0.0107655600000000, 0.0078368800000000, 0.0114831700000000 ] - [ 0.0100987600000000, 0.0068883100000000, 0.0108694400000000 ] - [ 0.0097038100000000, 0.0068813500000000, 0.0108803800000000 ] - [ 0.0120773500000000, 0.0093041100000000, 0.0124976800000000 ] - [ 0.0094388300000000, 0.0080299000000000, 0.0112159000000000 ] - [ 0.0077055900000000, 0.0060338000000000, 0.0100321700000000 ] - [ 0.0111811600000000, 0.0076097500000000, 0.0109231400000000 ] - [ 0.0101174800000000, 0.0068827000000000, 0.0110472200000000 ] - [ 0.0097924800000000, 0.0069705300000000, 0.0109618700000000 ] - [ -0.0183457300000000, 0.0092389400000000, 0.0084820400000000 ] - [ -0.0078760400000000, 0.0076557700000000, 0.0113157700000000 ] - [ -0.0091688300000000, 0.0070996500000000, 0.0116995100000000 ] - [ -0.0107655600000000, 0.0078368800000000, 0.0114831700000000 ] - [ -0.0100987600000000, 0.0068883100000000, 0.0108694400000000 ] - [ -0.0097038100000000, 0.0068813500000000, 0.0108803800000000 ] - [ -0.0120773500000000, 0.0093041100000000, 0.0124976800000000 ] - [ -0.0094388300000000, 0.0080299000000000, 0.0112159000000000 ] - [ -0.0077055900000000, 0.0060338000000000, 0.0100321700000000 ] - [ -0.0111811600000000, 0.0076097500000000, 0.0109231400000000 ] - [ -0.0101174800000000, 0.0068827000000000, 0.0110472200000000 ] - [ -0.0097924800000000, 0.0069705300000000, 0.0109618700000000 ] - [ 0.0208034900000000, -0.0196074900000000, 0.0140892600000000 ] - [ 0.0097104900000000, -0.0068764000000000, 0.0107689900000000 ] - [ 0.0105745900000000, -0.0088484900000000, 0.0114901100000000 ] - [ 0.0100417700000000, -0.0078728500000000, 0.0111925000000000 ] - [ 0.0072976600000000, -0.0149805100000000, 0.0131869100000000 ] - [ 0.0102046000000000, -0.0076414500000000, 0.0113051100000000 ] - [ 0.0102447900000000, -0.0066501300000000, 0.0097974900000000 ] - [ 0.0098658900000000, -0.0070449500000000, 0.0108741900000000 ] - [ 0.0102081100000000, -0.0080780600000000, 0.0112483500000000 ] - [ 0.0100263600000000, -0.0078171300000000, 0.0111821900000000 ] - [ 0.0099710200000000, -0.0075143200000000, 0.0109013200000000 ] - [ 0.0101124100000000, -0.0075435500000000, 0.0110206700000000 ] - [ 0.0000000000000000, -0.2453507000000000, -0.0774425500000000 ] - [ 0.0000000000000000, 0.0222631100000000, -0.0305201200000000 ] - [ 0.0000000000000000, 0.0288043700000000, -0.0308748900000000 ] - [ 0.0000000000000000, 0.0255305800000000, -0.0307152000000000 ] - [ 0.0000000000000000, 0.0308545900000000, -0.0320882600000000 ] - [ 0.0000000000000000, 0.0255301300000000, -0.0310863600000000 ] - [ 0.0000000000000000, 0.0222727500000000, -0.0291114700000000 ] - [ 0.0000000000000000, 0.0234662800000000, -0.0304668300000000 ] - [ 0.0000000000000000, 0.0263769300000000, -0.0307993100000000 ] - [ 0.0000000000000000, 0.0255337700000000, -0.0306536800000000 ] - [ 0.0000000000000000, 0.0257184300000000, -0.0294298800000000 ] - [ 0.0000000000000000, 0.0253358200000000, -0.0301983000000000 ] - [ 0.0050976800000000, -0.0304999100000000, -0.0335080400000000 ] - [ -0.0050976800000000, -0.0304999100000000, -0.0335080400000000 ] - [ -0.0015018100000000, -0.0236570900000000, -0.0328344600000000 ] - [ 0.0015018100000000, -0.0236570900000000, -0.0328344600000000 ] - [ 0.0004003000000000, -0.0232213200000000, -0.0304520300000000 ] - [ -0.0004003000000000, -0.0232213200000000, -0.0304520300000000 ] - [ 0.0009604000000000, -0.0292225700000000, -0.0307678100000000 ] - [ -0.0009604000000000, -0.0292225700000000, -0.0307678100000000 ] - [ -0.0023319800000000, -0.0232778900000000, -0.0293174000000000 ] - [ 0.0023319800000000, -0.0232778900000000, -0.0293174000000000 ] - [ 0.0003545300000000, -0.0232644100000000, -0.0308559200000000 ] - [ -0.0003545300000000, -0.0232644100000000, -0.0308559200000000 ] - [ 0.0000000000000000, -0.0048756200000000, -0.0044694500000000 ] - [ 0.0000000000000000, -0.0060187600000000, -0.0074734700000000 ] - [ 0.0000000000000000, -0.0033732600000000, -0.0107943900000000 ] - [ 0.0000000000000000, -0.0063476800000000, -0.0067032900000000 ] - [ 0.0000000000000000, -0.0041242300000000, -0.0060482900000000 ] - [ 0.0000000000000000, -0.0051896400000000, -0.0068019200000000 ] - [ 0.0000000000000000, -0.0086084200000000, -0.0103053400000000 ] - [ 0.0000000000000000, -0.0063503600000000, -0.0068423400000000 ] - [ 0.0000000000000000, -0.0015253400000000, -0.0040039200000000 ] - [ 0.0000000000000000, -0.0064487300000000, -0.0062237800000000 ] - [ 0.0000000000000000, -0.0041248300000000, -0.0068277100000000 ] - [ 0.0000000000000000, -0.0052445400000000, -0.0066881200000000 ] - [ -0.0006231300000000, 0.0048995900000000, -0.0062072300000000 ] - [ 0.0006231300000000, 0.0048995900000000, -0.0062072300000000 ] - [ -0.0001008400000000, 0.0070933700000000, -0.0068423600000000 ] - [ 0.0001008400000000, 0.0070933700000000, -0.0068423600000000 ] - [ 0.0006093100000000, 0.0065794300000000, -0.0060294600000000 ] - [ -0.0006093100000000, 0.0065794300000000, -0.0060294600000000 ] - [ -0.0061442400000000, 0.0056140900000000, -0.0044517000000000 ] - [ 0.0061442400000000, 0.0056140900000000, -0.0044517000000000 ] - [ -0.0002321000000000, 0.0073816800000000, -0.0067650700000000 ] - [ 0.0002321000000000, 0.0073816800000000, -0.0067650700000000 ] - [ 0.0025840400000000, 0.0060630200000000, -0.0078503300000000 ] - [ -0.0025840400000000, 0.0060630200000000, -0.0078503300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0006551800000000, 0.0158798900000000 ] - [ 0.0000000000000000, 0.0021294800000000, 0.0124345900000000 ] - [ 0.0000000000000000, 0.0025806400000000, 0.0123294700000000 ] - [ 0.0000000000000000, 0.0025051800000000, 0.0122579100000000 ] - [ 0.0000000000000000, 0.0004763800000000, 0.0113414800000000 ] - [ 0.0000000000000000, 0.0030325700000000, 0.0126917900000000 ] - [ 0.0000000000000000, 0.0291356800000000, 0.0240082100000000 ] - [ 0.0000000000000000, 0.0019954700000000, 0.0114904400000000 ] - [ 0.0000000000000000, 0.0027277500000000, 0.0118959100000000 ] - [ 0.0000000000000000, 0.0024839300000000, 0.0119723900000000 ] - [ 0.0000000000000000, 0.0013569800000000, 0.0104302300000000 ] - [ 0.0000000000000000, 0.0022180100000000, 0.0117096900000000 ] - [ 0.0008103600000000, -0.0027898200000000, 0.0111509900000000 ] - [ -0.0008103600000000, -0.0027898200000000, 0.0111509900000000 ] - [ 0.0000435600000000, -0.0027055600000000, 0.0122508100000000 ] - [ -0.0000435600000000, -0.0027055600000000, 0.0122508100000000 ] - [ 0.0000272700000000, -0.0020510500000000, 0.0119570000000000 ] - [ -0.0000272700000000, -0.0020510500000000, 0.0119570000000000 ] - [ -0.0003890200000000, -0.0024819600000000, 0.0134154700000000 ] - [ 0.0003890200000000, -0.0024819600000000, 0.0134154700000000 ] - [ -0.0002095900000000, -0.0021958100000000, 0.0124574700000000 ] - [ 0.0002095900000000, -0.0021958100000000, 0.0124574700000000 ] - [ -0.0000217200000000, -0.0022581300000000, 0.0121228800000000 ] - [ 0.0000217200000000, -0.0022581300000000, 0.0121228800000000 ] - [ 0.0000000000000000, -0.0647351400000000, -0.0778839100000000 ] - [ 0.0000000000000000, -0.0054200300000000, 0.0023206700000000 ] - [ 0.0000000000000000, -0.0043461300000000, 0.0028173800000000 ] - [ 0.0000000000000000, -0.0047687200000000, 0.0030330700000000 ] - [ 0.0000000000000000, -0.0041935600000000, 0.0028175900000000 ] - [ 0.0000000000000000, -0.0046922100000000, 0.0030303400000000 ] - [ 0.0000000000000000, -0.0047340900000000, 0.0042300500000000 ] - [ 0.0000000000000000, -0.0047842900000000, 0.0036572300000000 ] - [ 0.0000000000000000, -0.0044168000000000, 0.0030531300000000 ] - [ 0.0000000000000000, -0.0045454700000000, 0.0034581400000000 ] - [ 0.0000000000000000, -0.0047762400000000, 0.0030566800000000 ] - [ 0.0000000000000000, -0.0045286900000000, 0.0034535400000000 ] - [ 0.0004035100000000, 0.0033679100000000, 0.0032458200000000 ] - [ -0.0004035100000000, 0.0033679100000000, 0.0032458200000000 ] - [ -0.0000397900000000, 0.0047584100000000, 0.0032683300000000 ] - [ 0.0000397900000000, 0.0047584100000000, 0.0032683300000000 ] - [ 0.0000324300000000, 0.0053150100000000, 0.0030357300000000 ] - [ -0.0000324300000000, 0.0053150100000000, 0.0030357300000000 ] - [ -0.0005371600000000, 0.0050114000000000, 0.0032382400000000 ] - [ 0.0005371600000000, 0.0050114000000000, 0.0032382400000000 ] - [ -0.0002460900000000, 0.0054760700000000, 0.0032665400000000 ] - [ 0.0002460900000000, 0.0054760700000000, 0.0032665400000000 ] - [ 0.0000065300000000, 0.0048700800000000, 0.0030362700000000 ] - [ -0.0000065300000000, 0.0048700800000000, 0.0030362700000000 ] - [ -0.0118791300000000, -0.0119732200000000, 0.0039396800000000 ] - [ -0.0101372300000000, -0.0076335800000000, 0.0109416500000000 ] - [ -0.0099101200000000, -0.0072868500000000, 0.0109568800000000 ] - [ -0.0100122700000000, -0.0074465000000000, 0.0110179000000000 ] - [ -0.0105597000000000, -0.0051511000000000, 0.0088604300000000 ] - [ -0.0099693600000000, -0.0073106100000000, 0.0108325400000000 ] - [ -0.0098025600000000, -0.0080451900000000, 0.0131992000000000 ] - [ -0.0100981500000000, -0.0075952200000000, 0.0113436900000000 ] - [ -0.0099305900000000, -0.0073117100000000, 0.0111255300000000 ] - [ -0.0100409500000000, -0.0074111200000000, 0.0111219600000000 ] - [ -0.0097483000000000, -0.0074709200000000, 0.0113895900000000 ] - [ -0.0100728500000000, -0.0074976800000000, 0.0113124500000000 ] - [ 0.0015917600000000, 0.0064912000000000, 0.0135935800000000 ] - [ 0.0123745300000000, 0.0076193500000000, 0.0108935400000000 ] - [ 0.0101960900000000, 0.0075341800000000, 0.0111388900000000 ] - [ 0.0100049600000000, 0.0073959600000000, 0.0111133500000000 ] - [ 0.0102156300000000, 0.0076889900000000, 0.0111944200000000 ] - [ 0.0101272500000000, 0.0076943200000000, 0.0111851900000000 ] - [ 0.0143012300000000, 0.0075139500000000, 0.0132827300000000 ] - [ 0.0085983600000000, 0.0072498800000000, 0.0110228200000000 ] - [ 0.0128908600000000, 0.0086152700000000, 0.0112373400000000 ] - [ 0.0089563800000000, 0.0073701900000000, 0.0111388100000000 ] - [ 0.0101334300000000, 0.0075762500000000, 0.0111074700000000 ] - [ 0.0099729500000000, 0.0075264600000000, 0.0111305000000000 ] - [ -0.0015917600000000, 0.0064912000000000, 0.0135935800000000 ] - [ -0.0123745300000000, 0.0076193500000000, 0.0108935400000000 ] - [ -0.0101960900000000, 0.0075341800000000, 0.0111388900000000 ] - [ -0.0100049600000000, 0.0073959600000000, 0.0111133500000000 ] - [ -0.0102156300000000, 0.0076889900000000, 0.0111944200000000 ] - [ -0.0101272500000000, 0.0076943200000000, 0.0111851900000000 ] - [ -0.0143012300000000, 0.0075139500000000, 0.0132827300000000 ] - [ -0.0085983600000000, 0.0072498800000000, 0.0110228200000000 ] - [ -0.0128908600000000, 0.0086152700000000, 0.0112373400000000 ] - [ -0.0089563800000000, 0.0073701900000000, 0.0111388100000000 ] - [ -0.0101334300000000, 0.0075762500000000, 0.0111074700000000 ] - [ -0.0099729500000000, 0.0075264600000000, 0.0111305000000000 ] - [ 0.0118791300000000, -0.0119732200000000, 0.0039396800000000 ] - [ 0.0101372300000000, -0.0076335800000000, 0.0109416500000000 ] - [ 0.0099101200000000, -0.0072868500000000, 0.0109568800000000 ] - [ 0.0100122700000000, -0.0074465000000000, 0.0110179000000000 ] - [ 0.0105597000000000, -0.0051511000000000, 0.0088604300000000 ] - [ 0.0099693600000000, -0.0073106100000000, 0.0108325400000000 ] - [ 0.0098025600000000, -0.0080451900000000, 0.0131992000000000 ] - [ 0.0100981500000000, -0.0075952200000000, 0.0113436900000000 ] - [ 0.0099305900000000, -0.0073117100000000, 0.0111255300000000 ] - [ 0.0100409500000000, -0.0074111200000000, 0.0111219600000000 ] - [ 0.0097483000000000, -0.0074709200000000, 0.0113895900000000 ] - [ 0.0100728500000000, -0.0074976800000000, 0.0113124500000000 ] - [ 0.0000000000000000, 0.0628810700000000, 0.0201356200000000 ] - [ 0.0000000000000000, 0.0256418700000000, -0.0300797800000000 ] - [ 0.0000000000000000, 0.0239645100000000, -0.0302409300000000 ] - [ 0.0000000000000000, 0.0246535500000000, -0.0304918300000000 ] - [ 0.0000000000000000, 0.0233107800000000, -0.0277416000000000 ] - [ 0.0000000000000000, 0.0244901300000000, -0.0300661400000000 ] - [ 0.0000000000000000, 0.0246207200000000, -0.0359111300000000 ] - [ 0.0000000000000000, 0.0250019700000000, -0.0313417400000000 ] - [ 0.0000000000000000, 0.0240159100000000, -0.0310197400000000 ] - [ 0.0000000000000000, 0.0243984400000000, -0.0309072700000000 ] - [ 0.0000000000000000, 0.0242922000000000, -0.0305547300000000 ] - [ 0.0000000000000000, 0.0245723500000000, -0.0315740500000000 ] - [ -0.0052611900000000, -0.0211634300000000, -0.0275217100000000 ] - [ 0.0052611900000000, -0.0211634300000000, -0.0275217100000000 ] - [ 0.0002437400000000, -0.0246937300000000, -0.0310363900000000 ] - [ -0.0002437400000000, -0.0246937300000000, -0.0310363900000000 ] - [ 0.0000552100000000, -0.0255774400000000, -0.0308317900000000 ] - [ -0.0000552100000000, -0.0255774400000000, -0.0308317900000000 ] - [ 0.0028885400000000, -0.0261631700000000, -0.0325790900000000 ] - [ -0.0028885400000000, -0.0261631700000000, -0.0325790900000000 ] - [ 0.0016727500000000, -0.0258402900000000, -0.0321436900000000 ] - [ -0.0016727500000000, -0.0258402900000000, -0.0321436900000000 ] - [ 0.0000625500000000, -0.0251088400000000, -0.0308315200000000 ] - [ -0.0000625500000000, -0.0251088400000000, -0.0308315200000000 ] - [ 0.0000000000000000, 0.0028226600000000, 0.0201816500000000 ] - [ 0.0000000000000000, -0.0063990100000000, -0.0059419400000000 ] - [ 0.0000000000000000, -0.0056430600000000, -0.0063219400000000 ] - [ 0.0000000000000000, -0.0058020600000000, -0.0066746100000000 ] - [ 0.0000000000000000, -0.0063608100000000, -0.0068600500000000 ] - [ 0.0000000000000000, -0.0062687400000000, -0.0066366800000000 ] - [ 0.0000000000000000, -0.0024773400000000, -0.0099031300000000 ] - [ 0.0000000000000000, -0.0056489000000000, -0.0071672300000000 ] - [ 0.0000000000000000, -0.0123632600000000, -0.0090896200000000 ] - [ 0.0000000000000000, -0.0056574800000000, -0.0070872500000000 ] - [ 0.0000000000000000, -0.0062535600000000, -0.0066789900000000 ] - [ 0.0000000000000000, -0.0061921800000000, -0.0068578000000000 ] - [ 0.0004283800000000, 0.0063975000000000, -0.0077491800000000 ] - [ -0.0004283800000000, 0.0063975000000000, -0.0077491800000000 ] - [ 0.0000948400000000, 0.0057133000000000, -0.0069703600000000 ] - [ -0.0000948400000000, 0.0057133000000000, -0.0069703600000000 ] - [ -0.0001408600000000, 0.0053788400000000, -0.0078670800000000 ] - [ 0.0001408600000000, 0.0053788400000000, -0.0078670800000000 ] - [ 0.0000350400000000, 0.0062662800000000, -0.0053846500000000 ] - [ -0.0000350400000000, 0.0062662800000000, -0.0053846500000000 ] - [ 0.0000806800000000, 0.0056418500000000, -0.0063933500000000 ] - [ -0.0000806800000000, 0.0056418500000000, -0.0063933500000000 ] - [ -0.0004008000000000, 0.0062124600000000, -0.0055444100000000 ] - [ 0.0004008000000000, 0.0062124600000000, -0.0055444100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0041615100000000, 0.0082804900000000 ] - [ 0.0000000000000000, 0.0026577600000000, 0.0117488700000000 ] - [ 0.0000000000000000, 0.0021444100000000, 0.0118598100000000 ] - [ 0.0000000000000000, 0.0022200800000000, 0.0119304000000000 ] - [ 0.0000000000000000, 0.0044530600000000, 0.0128777500000000 ] - [ 0.0000000000000000, 0.0018228300000000, 0.0114928500000000 ] - [ 0.0000000000000000, -0.0238372400000000, 0.0004951900000000 ] - [ 0.0000000000000000, 0.0027894800000000, 0.0126903300000000 ] - [ 0.0000000000000000, 0.0019910000000000, 0.0122844900000000 ] - [ 0.0000000000000000, 0.0022415200000000, 0.0122141400000000 ] - [ 0.0000000000000000, 0.0034927000000000, 0.0137540500000000 ] - [ 0.0000000000000000, 0.0026391900000000, 0.0124765600000000 ] - [ -0.0008088600000000, -0.0020621300000000, 0.0130422200000000 ] - [ 0.0008088600000000, -0.0020621300000000, 0.0130422200000000 ] - [ -0.0000378100000000, -0.0020297800000000, 0.0119446300000000 ] - [ 0.0000378100000000, -0.0020297800000000, 0.0119446300000000 ] - [ -0.0000272500000000, -0.0027354000000000, 0.0122254500000000 ] - [ 0.0000272500000000, -0.0027354000000000, 0.0122254500000000 ] - [ 0.0003877200000000, -0.0023725700000000, 0.0107735800000000 ] - [ -0.0003877200000000, -0.0023725700000000, 0.0107735800000000 ] - [ 0.0002101100000000, -0.0025289200000000, 0.0117301500000000 ] - [ -0.0002101100000000, -0.0025289200000000, 0.0117301500000000 ] - [ 0.0000223800000000, -0.0025261300000000, 0.0120606900000000 ] - [ -0.0000223800000000, -0.0025261300000000, 0.0120606900000000 ] - [ 0.0000000000000000, 0.0564647200000000, 0.0859188300000000 ] - [ 0.0000000000000000, -0.0040800400000000, 0.0040294600000000 ] - [ 0.0000000000000000, -0.0052840900000000, 0.0035167300000000 ] - [ 0.0000000000000000, -0.0048444300000000, 0.0033093700000000 ] - [ 0.0000000000000000, -0.0054087500000000, 0.0035167200000000 ] - [ 0.0000000000000000, -0.0049003100000000, 0.0033066300000000 ] - [ 0.0000000000000000, -0.0047809400000000, 0.0021176000000000 ] - [ 0.0000000000000000, -0.0047198100000000, 0.0026914100000000 ] - [ 0.0000000000000000, -0.0051893300000000, 0.0032899700000000 ] - [ 0.0000000000000000, -0.0050662700000000, 0.0028875000000000 ] - [ 0.0000000000000000, -0.0048066300000000, 0.0032936700000000 ] - [ 0.0000000000000000, -0.0050636600000000, 0.0028829100000000 ] - [ -0.0004030500000000, 0.0062318400000000, 0.0030986100000000 ] - [ 0.0004030500000000, 0.0062318400000000, 0.0030986100000000 ] - [ 0.0000410400000000, 0.0048480800000000, 0.0030798500000000 ] - [ -0.0000410400000000, 0.0048480800000000, 0.0030798500000000 ] - [ -0.0000317000000000, 0.0041885000000000, 0.0033126300000000 ] - [ 0.0000317000000000, 0.0041885000000000, 0.0033126300000000 ] - [ 0.0005383100000000, 0.0045910100000000, 0.0030911000000000 ] - [ -0.0005383100000000, 0.0045910100000000, 0.0030911000000000 ] - [ 0.0002462600000000, 0.0041390000000000, 0.0030780900000000 ] - [ -0.0002462600000000, 0.0041390000000000, 0.0030780900000000 ] - [ -0.0000063700000000, 0.0046337600000000, 0.0033131400000000 ] - [ 0.0000063700000000, 0.0046337600000000, 0.0033131400000000 ] - [ -0.0082032300000000, -0.0030043500000000, 0.0183041700000000 ] - [ -0.0099380800000000, -0.0072799000000000, 0.0112654500000000 ] - [ -0.0101844200000000, -0.0077587200000000, 0.0112443900000000 ] - [ -0.0100779200000000, -0.0075932200000000, 0.0111811600000000 ] - [ -0.0095201100000000, -0.0098128400000000, 0.0133358600000000 ] - [ -0.0101279600000000, -0.0076302200000000, 0.0113545500000000 ] - [ -0.0102684600000000, -0.0068730900000000, 0.0090118900000000 ] - [ -0.0099784500000000, -0.0073196400000000, 0.0108662000000000 ] - [ -0.0101609100000000, -0.0077268900000000, 0.0110742800000000 ] - [ -0.0100493200000000, -0.0076280000000000, 0.0110779100000000 ] - [ -0.0103549400000000, -0.0074716000000000, 0.0108021200000000 ] - [ -0.0100252200000000, -0.0074432400000000, 0.0108739000000000 ] - [ 0.0186051500000000, 0.0084489800000000, 0.0085571200000000 ] - [ 0.0077053400000000, 0.0073192800000000, 0.0112972900000000 ] - [ 0.0098866400000000, 0.0075005800000000, 0.0110663000000000 ] - [ 0.0100921900000000, 0.0076454300000000, 0.0110892200000000 ] - [ 0.0098592600000000, 0.0072256700000000, 0.0110145000000000 ] - [ 0.0099512500000000, 0.0072201500000000, 0.0110239900000000 ] - [ 0.0058550800000000, 0.0074270500000000, 0.0089276500000000 ] - [ 0.0114876800000000, 0.0076910000000000, 0.0111631700000000 ] - [ 0.0072110300000000, 0.0064238200000000, 0.0109550400000000 ] - [ 0.0111309300000000, 0.0076674200000000, 0.0110603700000000 ] - [ 0.0099413500000000, 0.0073380400000000, 0.0111029500000000 ] - [ 0.0101062400000000, 0.0073891900000000, 0.0110794600000000 ] - [ -0.0186051500000000, 0.0084489800000000, 0.0085571200000000 ] - [ -0.0077053400000000, 0.0073192800000000, 0.0112972900000000 ] - [ -0.0098866400000000, 0.0075005800000000, 0.0110663000000000 ] - [ -0.0100921900000000, 0.0076454300000000, 0.0110892200000000 ] - [ -0.0098592600000000, 0.0072256700000000, 0.0110145000000000 ] - [ -0.0099512500000000, 0.0072201500000000, 0.0110239900000000 ] - [ -0.0058550800000000, 0.0074270500000000, 0.0089276500000000 ] - [ -0.0114876800000000, 0.0076910000000000, 0.0111631700000000 ] - [ -0.0072110300000000, 0.0064238200000000, 0.0109550400000000 ] - [ -0.0111309300000000, 0.0076674200000000, 0.0110603700000000 ] - [ -0.0099413500000000, 0.0073380400000000, 0.0111029500000000 ] - [ -0.0101062400000000, 0.0073891900000000, 0.0110794600000000 ] - [ 0.0082032300000000, -0.0030043500000000, 0.0183041700000000 ] - [ 0.0099380800000000, -0.0072799000000000, 0.0112654500000000 ] - [ 0.0101844200000000, -0.0077587200000000, 0.0112443900000000 ] - [ 0.0100779200000000, -0.0075932200000000, 0.0111811600000000 ] - [ 0.0095201100000000, -0.0098128400000000, 0.0133358600000000 ] - [ 0.0101279600000000, -0.0076302200000000, 0.0113545500000000 ] - [ 0.0102684600000000, -0.0068730900000000, 0.0090118900000000 ] - [ 0.0099784500000000, -0.0073196400000000, 0.0108662000000000 ] - [ 0.0101609100000000, -0.0077268900000000, 0.0110742800000000 ] - [ 0.0100493200000000, -0.0076280000000000, 0.0110779100000000 ] - [ 0.0103549400000000, -0.0074716000000000, 0.0108021200000000 ] - [ 0.0100252200000000, -0.0074432400000000, 0.0108739000000000 ] - [ 0.0000000000000000, -0.0140662500000000, -0.0822289300000000 ] - [ 0.0000000000000000, 0.0239367400000000, -0.0314023500000000 ] - [ 0.0000000000000000, 0.0256082100000000, -0.0312419500000000 ] - [ 0.0000000000000000, 0.0249000700000000, -0.0309904700000000 ] - [ 0.0000000000000000, 0.0262796000000000, -0.0337536800000000 ] - [ 0.0000000000000000, 0.0250784600000000, -0.0314179300000000 ] - [ 0.0000000000000000, 0.0249802300000000, -0.0255687100000000 ] - [ 0.0000000000000000, 0.0245839600000000, -0.0301469400000000 ] - [ 0.0000000000000000, 0.0255336300000000, -0.0304665500000000 ] - [ 0.0000000000000000, 0.0251530200000000, -0.0305777000000000 ] - [ 0.0000000000000000, 0.0252728800000000, -0.0309761500000000 ] - [ 0.0000000000000000, 0.0249959400000000, -0.0299088900000000 ] - [ 0.0052758900000000, -0.0284247600000000, -0.0339931700000000 ] - [ -0.0052758900000000, -0.0284247600000000, -0.0339931700000000 ] - [ -0.0002569200000000, -0.0248512100000000, -0.0304612400000000 ] - [ 0.0002569200000000, -0.0248512100000000, -0.0304612400000000 ] - [ -0.0000580400000000, -0.0240086000000000, -0.0306544000000000 ] - [ 0.0000580400000000, -0.0240086000000000, -0.0306544000000000 ] - [ -0.0028814600000000, -0.0234295300000000, -0.0289120500000000 ] - [ 0.0028814600000000, -0.0234295300000000, -0.0289120500000000 ] - [ -0.0016758300000000, -0.0237120300000000, -0.0293437200000000 ] - [ 0.0016758300000000, -0.0237120300000000, -0.0293437200000000 ] - [ -0.0000648000000000, -0.0244786200000000, -0.0306574600000000 ] - [ 0.0000648000000000, -0.0244786200000000, -0.0306574600000000 ] - [ 0.0000000000000000, -0.0156773900000000, -0.0350817200000000 ] - [ 0.0000000000000000, -0.0056161800000000, -0.0075041300000000 ] - [ 0.0000000000000000, -0.0063139500000000, -0.0071562200000000 ] - [ 0.0000000000000000, -0.0061767900000000, -0.0067666100000000 ] - [ 0.0000000000000000, -0.0056173400000000, -0.0065700600000000 ] - [ 0.0000000000000000, -0.0057078500000000, -0.0067973000000000 ] - [ 0.0000000000000000, -0.0095366100000000, -0.0035052500000000 ] - [ 0.0000000000000000, -0.0063674100000000, -0.0062747300000000 ] - [ 0.0000000000000000, 0.0003354500000000, -0.0043536200000000 ] - [ 0.0000000000000000, -0.0063197800000000, -0.0063549000000000 ] - [ 0.0000000000000000, -0.0057213400000000, -0.0067603000000000 ] - [ 0.0000000000000000, -0.0057848700000000, -0.0065757400000000 ] - [ -0.0004277900000000, 0.0055753200000000, -0.0056875100000000 ] - [ 0.0004277900000000, 0.0055753200000000, -0.0056875100000000 ] - [ -0.0000964100000000, 0.0062656700000000, -0.0064738800000000 ] - [ 0.0000964100000000, 0.0062656700000000, -0.0064738800000000 ] - [ 0.0001381000000000, 0.0066464700000000, -0.0055681400000000 ] - [ -0.0001381000000000, 0.0066464700000000, -0.0055681400000000 ] - [ -0.0000746300000000, 0.0057169400000000, -0.0080283200000000 ] - [ 0.0000746300000000, 0.0057169400000000, -0.0080283200000000 ] - [ -0.0000832800000000, 0.0063384300000000, -0.0070456200000000 ] - [ 0.0000832800000000, 0.0063384300000000, -0.0070456200000000 ] - [ 0.0004060500000000, 0.0058052000000000, -0.0078960400000000 ] - [ -0.0004060500000000, 0.0058052000000000, -0.0078960400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007158300000000, 0.0024845800000000, 0.0143405000000000 ] - [ 0.0005921800000000, 0.0022856100000000, 0.0120860100000000 ] - [ -0.0003468100000000, 0.0022598200000000, 0.0121435600000000 ] - [ 0.0003148500000000, 0.0024448300000000, 0.0120877200000000 ] - [ -0.0002753000000000, 0.0024491700000000, 0.0122586000000000 ] - [ 0.0002783200000000, 0.0024616100000000, 0.0121292500000000 ] - [ -0.0032836200000000, 0.0030830100000000, 0.0029287100000000 ] - [ 0.0008760500000000, 0.0022980200000000, 0.0123796500000000 ] - [ -0.0003269500000000, 0.0019449800000000, 0.0117052900000000 ] - [ 0.0002950900000000, 0.0024596600000000, 0.0122174100000000 ] - [ -0.0003201400000000, 0.0027700100000000, 0.0119165700000000 ] - [ 0.0002964400000000, 0.0024588800000000, 0.0121563800000000 ] - [ 0.0008437500000000, -0.0009753200000000, 0.0129819800000000 ] - [ 0.0010000400000000, -0.0072003400000000, 0.0094443700000000 ] - [ 0.0008071500000000, -0.0050498600000000, 0.0144426600000000 ] - [ 0.0019264500000000, 0.0066168600000000, 0.0045288900000000 ] - [ 0.0000987200000000, -0.0022027500000000, 0.0120642000000000 ] - [ -0.0000977700000000, -0.0023839300000000, 0.0121901800000000 ] - [ 0.0002556600000000, -0.0015086300000000, 0.0111163300000000 ] - [ -0.0004045200000000, -0.0053311400000000, 0.0140208000000000 ] - [ 0.0003487000000000, -0.0025158800000000, 0.0116686200000000 ] - [ 0.0004330100000000, -0.0023544600000000, 0.0128917900000000 ] - [ 0.0000585400000000, -0.0021970200000000, 0.0119581300000000 ] - [ -0.0000608300000000, -0.0024291500000000, 0.0120590000000000 ] - [ -0.0015395700000000, 0.0060953700000000, 0.0013385800000000 ] - [ 0.0007994800000000, -0.0050852000000000, 0.0030734500000000 ] - [ -0.0006482800000000, -0.0075487500000000, 0.0026455300000000 ] - [ 0.0005245800000000, -0.0046489400000000, 0.0032511700000000 ] - [ -0.0002583500000000, -0.0042638500000000, 0.0033060300000000 ] - [ 0.0002317300000000, -0.0047993900000000, 0.0032018800000000 ] - [ -0.0005408400000000, -0.0045420400000000, 0.0034134100000000 ] - [ 0.0005109500000000, -0.0049273800000000, 0.0031141000000000 ] - [ -0.0004600400000000, -0.0048842900000000, 0.0034767100000000 ] - [ 0.0003692600000000, -0.0047423100000000, 0.0031484900000000 ] - [ -0.0002023800000000, -0.0046317300000000, 0.0032845900000000 ] - [ 0.0001991900000000, -0.0048145200000000, 0.0031731700000000 ] - [ 0.0008020500000000, 0.0054074600000000, 0.0046059300000000 ] - [ 0.0018157000000000, 0.0027498100000000, -0.0010719000000000 ] - [ 0.0001574900000000, 0.0036670400000000, 0.0042560600000000 ] - [ -0.0001326300000000, 0.0071580700000000, 0.0003255900000000 ] - [ 0.0000941200000000, 0.0050009500000000, 0.0032404500000000 ] - [ -0.0000904700000000, 0.0046753200000000, 0.0030770700000000 ] - [ 0.0010496400000000, 0.0069658200000000, 0.0008446800000000 ] - [ 0.0018257900000000, -0.0035453300000000, 0.0117234000000000 ] - [ 0.0003242400000000, 0.0040846700000000, 0.0032151700000000 ] - [ 0.0003957300000000, 0.0056848500000000, 0.0030169000000000 ] - [ 0.0001032300000000, 0.0050893300000000, 0.0030852700000000 ] - [ -0.0001022600000000, 0.0046936700000000, 0.0029951500000000 ] - [ -0.2381360400000000, -0.0910876200000000, 0.0726958300000000 ] - [ -0.0066855700000000, -0.0069404600000000, 0.0103625500000000 ] - [ -0.0115177900000000, -0.0079372500000000, 0.0113410300000000 ] - [ -0.0090052300000000, -0.0073322400000000, 0.0109976300000000 ] - [ -0.0115180100000000, -0.0070944500000000, 0.0110367700000000 ] - [ -0.0090084300000000, -0.0071553800000000, 0.0109954900000000 ] - [ -0.0124657500000000, -0.0081387800000000, 0.0112515000000000 ] - [ -0.0083686900000000, -0.0071409800000000, 0.0109559500000000 ] - [ -0.0111399000000000, -0.0076656700000000, 0.0110622200000000 ] - [ -0.0091761600000000, -0.0073300800000000, 0.0110555700000000 ] - [ -0.0111437400000000, -0.0077070500000000, 0.0111295800000000 ] - [ -0.0091790700000000, -0.0071870900000000, 0.0110195500000000 ] - [ 0.0073933400000000, 0.0063209600000000, 0.0105091800000000 ] - [ 0.0115310300000000, 0.0082053500000000, 0.0116325100000000 ] - [ 0.0087682900000000, 0.0077217400000000, 0.0089882800000000 ] - [ 0.0112044200000000, 0.0077127000000000, 0.0116307700000000 ] - [ 0.0096308800000000, 0.0075911000000000, 0.0112065200000000 ] - [ 0.0103974700000000, 0.0075332400000000, 0.0111392100000000 ] - [ 0.0073939200000000, 0.0057289800000000, 0.0106286500000000 ] - [ 0.0115329000000000, 0.0082587900000000, 0.0113290400000000 ] - [ 0.0087690500000000, 0.0109232400000000, 0.0154052200000000 ] - [ 0.0112028300000000, 0.0075004200000000, 0.0110012000000000 ] - [ 0.0096301900000000, 0.0074655300000000, 0.0110739900000000 ] - [ 0.0103983200000000, 0.0075674500000000, 0.0111352800000000 ] - [ -0.0093824300000000, 0.0078531200000000, 0.0117424700000000 ] - [ -0.0091742200000000, 0.0064614800000000, 0.0101212200000000 ] - [ -0.0094040000000000, 0.0068742300000000, 0.0117401500000000 ] - [ -0.0091771000000000, 0.0071751200000000, 0.0098219800000000 ] - [ -0.0100562800000000, 0.0074543700000000, 0.0111242900000000 ] - [ -0.0099771200000000, 0.0076664300000000, 0.0112107100000000 ] - [ -0.0091666100000000, 0.0080995300000000, 0.0107749500000000 ] - [ -0.0093881500000000, 0.0058811700000000, 0.0106615100000000 ] - [ -0.0091661400000000, 0.0059874600000000, 0.0097943800000000 ] - [ -0.0094038800000000, 0.0072856600000000, 0.0108757800000000 ] - [ -0.0099752500000000, 0.0074817700000000, 0.0110712000000000 ] - [ -0.0100584300000000, 0.0075842500000000, 0.0111476500000000 ] - [ 0.0441398200000000, -0.0073377000000000, 0.0057129500000000 ] - [ 0.0127269300000000, -0.0080375700000000, 0.0144748000000000 ] - [ 0.0094333200000000, -0.0077219400000000, 0.0110735000000000 ] - [ 0.0111382100000000, -0.0074529100000000, 0.0111884200000000 ] - [ 0.0094312600000000, -0.0061253200000000, 0.0108802500000000 ] - [ 0.0111419500000000, -0.0078910000000000, 0.0111886400000000 ] - [ 0.0090988500000000, -0.0074037100000000, 0.0107741600000000 ] - [ 0.0118381500000000, -0.0078588100000000, 0.0112499900000000 ] - [ 0.0093428500000000, -0.0074201100000000, 0.0110700700000000 ] - [ 0.0109549600000000, -0.0075843400000000, 0.0110226100000000 ] - [ 0.0093449100000000, -0.0070495500000000, 0.0109578100000000 ] - [ 0.0109592600000000, -0.0078329100000000, 0.0111751300000000 ] - [ 0.1662377600000000, 0.0957738000000000, -0.0948000300000000 ] - [ -0.0049696600000000, 0.0259864400000000, -0.0313364700000000 ] - [ 0.0016884200000000, 0.0262456300000000, -0.0308466500000000 ] - [ -0.0016052700000000, 0.0245417300000000, -0.0309278300000000 ] - [ 0.0015613500000000, 0.0230301800000000, -0.0305675300000000 ] - [ -0.0013291100000000, 0.0247964400000000, -0.0308520800000000 ] - [ 0.0027730700000000, 0.0253008500000000, -0.0316640100000000 ] - [ -0.0024540900000000, 0.0250867100000000, -0.0307684400000000 ] - [ 0.0013306800000000, 0.0249967900000000, -0.0309345100000000 ] - [ -0.0012571700000000, 0.0246595800000000, -0.0307172800000000 ] - [ 0.0011710500000000, 0.0244974700000000, -0.0310103700000000 ] - [ -0.0011615200000000, 0.0248172800000000, -0.0308221200000000 ] - [ -0.0019474000000000, -0.0263893500000000, -0.0326207300000000 ] - [ 0.0004121800000000, -0.0208196600000000, -0.0259152200000000 ] - [ -0.0015455400000000, -0.0236228700000000, -0.0340916600000000 ] - [ 0.0000268500000000, -0.0255350200000000, -0.0209906000000000 ] - [ -0.0002937200000000, -0.0251230400000000, -0.0308830300000000 ] - [ 0.0002795200000000, -0.0248705000000000, -0.0308099800000000 ] - [ -0.0018362900000000, -0.0280022300000000, -0.0299899900000000 ] - [ 0.0019308700000000, -0.0138805000000000, -0.0303567000000000 ] - [ -0.0020980600000000, -0.0235282300000000, -0.0299038400000000 ] - [ -0.0031572600000000, -0.0264632200000000, -0.0316074100000000 ] - [ -0.0002928700000000, -0.0252019500000000, -0.0306748500000000 ] - [ 0.0003298400000000, -0.0248106000000000, -0.0306232800000000 ] - [ 0.0020518700000000, -0.0081734500000000, -0.0107797500000000 ] - [ -0.0017447200000000, -0.0058806700000000, -0.0065614300000000 ] - [ 0.0076395400000000, -0.0058349400000000, -0.0062214500000000 ] - [ -0.0020998500000000, -0.0060952300000000, -0.0065599900000000 ] - [ 0.0005464700000000, -0.0061593500000000, -0.0070072600000000 ] - [ -0.0005473900000000, -0.0061450600000000, -0.0066580000000000 ] - [ 0.0018829400000000, -0.0076897000000000, -0.0054530800000000 ] - [ -0.0016780500000000, -0.0059057100000000, -0.0066641300000000 ] - [ 0.0029787100000000, -0.0027465000000000, -0.0058399200000000 ] - [ -0.0016253500000000, -0.0061613800000000, -0.0067475100000000 ] - [ 0.0004497100000000, -0.0060824500000000, -0.0066135100000000 ] - [ -0.0004557800000000, -0.0061411600000000, -0.0066617600000000 ] - [ -0.0008268000000000, 0.0062779300000000, -0.0073474500000000 ] - [ 0.0006515300000000, 0.0057645900000000, -0.0056553700000000 ] - [ -0.0001675900000000, 0.0062862500000000, -0.0072851100000000 ] - [ 0.0001526200000000, 0.0051472100000000, -0.0056351500000000 ] - [ -0.0003239400000000, 0.0050519400000000, -0.0069691300000000 ] - [ 0.0003152400000000, 0.0073087600000000, -0.0065659100000000 ] - [ -0.0101360400000000, 0.0091579800000000, -0.0022732200000000 ] - [ 0.0256954000000000, 0.0023088900000000, 0.0003207500000000 ] - [ -0.0003194700000000, 0.0064956800000000, -0.0068553900000000 ] - [ 0.0003173900000000, 0.0046166100000000, -0.0067482100000000 ] - [ -0.0008612100000000, 0.0047916600000000, -0.0066887400000000 ] - [ 0.0007604900000000, 0.0077140200000000, -0.0067102900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007237000000000, 0.0023103900000000, 0.0098802600000000 ] - [ -0.0005933700000000, 0.0024979900000000, 0.0120972800000000 ] - [ 0.0003475800000000, 0.0024641300000000, 0.0120450300000000 ] - [ -0.0003152400000000, 0.0022807200000000, 0.0120998400000000 ] - [ 0.0002756100000000, 0.0024110700000000, 0.0119297400000000 ] - [ -0.0002784000000000, 0.0023982700000000, 0.0120583500000000 ] - [ 0.0033374300000000, 0.0016907100000000, 0.0213700400000000 ] - [ -0.0008807600000000, 0.0024843900000000, 0.0118089800000000 ] - [ 0.0003262700000000, 0.0027692600000000, 0.0124691300000000 ] - [ -0.0002956700000000, 0.0022658400000000, 0.0119705100000000 ] - [ 0.0003198100000000, 0.0020889200000000, 0.0122697600000000 ] - [ -0.0002963500000000, 0.0024007900000000, 0.0120315300000000 ] - [ -0.0008436500000000, -0.0039000800000000, 0.0112022500000000 ] - [ -0.0010006000000000, 0.0023050500000000, 0.0147363500000000 ] - [ -0.0008105000000000, 0.0003503300000000, 0.0097282500000000 ] - [ -0.0019145600000000, -0.0112512200000000, 0.0196286300000000 ] - [ -0.0000973800000000, -0.0025808500000000, 0.0121191700000000 ] - [ 0.0000970600000000, -0.0023994000000000, 0.0119916900000000 ] - [ -0.0002533100000000, -0.0033583000000000, 0.0130761700000000 ] - [ 0.0004012100000000, 0.0004493800000000, 0.0101866000000000 ] - [ -0.0003491000000000, -0.0022100800000000, 0.0125225000000000 ] - [ -0.0004324800000000, -0.0023735300000000, 0.0112934100000000 ] - [ -0.0000577300000000, -0.0025857900000000, 0.0122220800000000 ] - [ 0.0000604600000000, -0.0023544400000000, 0.0121230800000000 ] - [ 0.0016070100000000, -0.0157324300000000, 0.0050140500000000 ] - [ -0.0008017800000000, -0.0044252600000000, 0.0032727000000000 ] - [ 0.0006562200000000, -0.0021052000000000, 0.0036850200000000 ] - [ -0.0005257500000000, -0.0049629600000000, 0.0030926000000000 ] - [ 0.0002577300000000, -0.0053260600000000, 0.0030317300000000 ] - [ -0.0002315300000000, -0.0047917300000000, 0.0031362400000000 ] - [ 0.0005399900000000, -0.0049550900000000, 0.0029477000000000 ] - [ -0.0005110400000000, -0.0045802600000000, 0.0032337400000000 ] - [ 0.0004609500000000, -0.0047291800000000, 0.0028701500000000 ] - [ -0.0003698000000000, -0.0048697000000000, 0.0031960700000000 ] - [ 0.0002027300000000, -0.0049582400000000, 0.0030542400000000 ] - [ -0.0001988300000000, -0.0047761300000000, 0.0031648000000000 ] - [ -0.0008045800000000, 0.0041780100000000, 0.0017166300000000 ] - [ -0.0018015200000000, 0.0068431100000000, 0.0073738600000000 ] - [ -0.0001553400000000, 0.0059497600000000, 0.0020814200000000 ] - [ 0.0001299100000000, 0.0024593400000000, 0.0060053200000000 ] - [ -0.0000930000000000, 0.0045058700000000, 0.0031071700000000 ] - [ 0.0000900500000000, 0.0048315600000000, 0.0032690900000000 ] - [ -0.0010493300000000, 0.0026070400000000, 0.0055139900000000 ] - [ -0.0018115200000000, 0.0130845400000000, -0.0052900600000000 ] - [ -0.0003241300000000, 0.0055311300000000, 0.0031278900000000 ] - [ -0.0003942900000000, 0.0039227800000000, 0.0033263300000000 ] - [ -0.0001020900000000, 0.0044170600000000, 0.0032612500000000 ] - [ 0.0001017800000000, 0.0048133300000000, 0.0033515100000000 ] - [ 0.2244351200000000, 0.0810819600000000, -0.0565143600000000 ] - [ -0.0134131200000000, -0.0079824400000000, 0.0118581100000000 ] - [ -0.0085805600000000, -0.0071090400000000, 0.0108595400000000 ] - [ -0.0110862300000000, -0.0077060700000000, 0.0112011500000000 ] - [ -0.0085810900000000, -0.0078467600000000, 0.0111474900000000 ] - [ -0.0110894300000000, -0.0077852500000000, 0.0111903800000000 ] - [ -0.0076158300000000, -0.0067787000000000, 0.0109654000000000 ] - [ -0.0117103600000000, -0.0077757900000000, 0.0112530700000000 ] - [ -0.0089533500000000, -0.0073741500000000, 0.0111363900000000 ] - [ -0.0109151300000000, -0.0077085000000000, 0.0111431300000000 ] - [ -0.0089571500000000, -0.0072321600000000, 0.0110559900000000 ] - [ -0.0109180900000000, -0.0077531300000000, 0.0111664800000000 ] - [ 0.0126940100000000, 0.0086219600000000, 0.0116768700000000 ] - [ 0.0085652800000000, 0.0067309300000000, 0.0105505100000000 ] - [ 0.0112855000000000, 0.0073104100000000, 0.0132004600000000 ] - [ 0.0088888700000000, 0.0073269600000000, 0.0105661200000000 ] - [ 0.0104452300000000, 0.0073245800000000, 0.0110040200000000 ] - [ 0.0096812200000000, 0.0073837100000000, 0.0110710400000000 ] - [ 0.0126945400000000, 0.0092096600000000, 0.0115538600000000 ] - [ 0.0085672200000000, 0.0066777700000000, 0.0108566800000000 ] - [ 0.0112860500000000, 0.0041295300000000, 0.0068102700000000 ] - [ 0.0088873700000000, 0.0075393300000000, 0.0111991000000000 ] - [ 0.0104445900000000, 0.0074487500000000, 0.0111347500000000 ] - [ 0.0096820200000000, 0.0073503700000000, 0.0110752700000000 ] - [ -0.0107052200000000, 0.0070821700000000, 0.0104398300000000 ] - [ -0.0109259600000000, 0.0084818400000000, 0.0120649800000000 ] - [ -0.0106868000000000, 0.0081651600000000, 0.0104524200000000 ] - [ -0.0109271500000000, 0.0078648700000000, 0.0123746200000000 ] - [ -0.0100188200000000, 0.0074613700000000, 0.0110854800000000 ] - [ -0.0101020000000000, 0.0072501600000000, 0.0109993900000000 ] - [ -0.0109181800000000, 0.0068368400000000, 0.0114066900000000 ] - [ -0.0107111000000000, 0.0090539500000000, 0.0115213100000000 ] - [ -0.0109162100000000, 0.0090599400000000, 0.0124154900000000 ] - [ -0.0106867800000000, 0.0077366900000000, 0.0113102600000000 ] - [ -0.0101000900000000, 0.0074340800000000, 0.0111382400000000 ] - [ -0.0100209800000000, 0.0073318900000000, 0.0110616200000000 ] - [ -0.0251974300000000, -0.0075953600000000, 0.0166342600000000 ] - [ 0.0073688100000000, -0.0068711200000000, 0.0077731300000000 ] - [ 0.0106684000000000, -0.0073311600000000, 0.0111303500000000 ] - [ 0.0089526600000000, -0.0075858000000000, 0.0110100200000000 ] - [ 0.0106664000000000, -0.0088095700000000, 0.0113047000000000 ] - [ 0.0089563700000000, -0.0070490400000000, 0.0109973200000000 ] - [ 0.0109881800000000, -0.0075182900000000, 0.0114460700000000 ] - [ 0.0082373100000000, -0.0070561800000000, 0.0109594300000000 ] - [ 0.0107518000000000, -0.0076198400000000, 0.0111297600000000 ] - [ 0.0091359400000000, -0.0074542400000000, 0.0111757400000000 ] - [ 0.0107539500000000, -0.0078893300000000, 0.0112280100000000 ] - [ 0.0091402500000000, -0.0071075800000000, 0.0110114200000000 ] - [ -0.1735529000000000, -0.0512476200000000, 0.0384037700000000 ] - [ 0.0049969800000000, 0.0236205800000000, -0.0301723500000000 ] - [ -0.0016807500000000, 0.0233493900000000, -0.0306372400000000 ] - [ 0.0016078600000000, 0.0250106200000000, -0.0305581200000000 ] - [ -0.0015548700000000, 0.0265347000000000, -0.0309150700000000 ] - [ 0.0013297200000000, 0.0247702300000000, -0.0306348400000000 ] - [ -0.0027650800000000, 0.0242882500000000, -0.0298673100000000 ] - [ 0.0024580300000000, 0.0245048000000000, -0.0307213100000000 ] - [ -0.0013328700000000, 0.0245585400000000, -0.0305539600000000 ] - [ 0.0012593400000000, 0.0248917900000000, -0.0307677500000000 ] - [ -0.0011711700000000, 0.0250669800000000, -0.0304783000000000 ] - [ 0.0011616900000000, 0.0247489900000000, -0.0306653600000000 ] - [ 0.0019456700000000, -0.0231592300000000, -0.0288507900000000 ] - [ -0.0003942900000000, -0.0287602700000000, -0.0355622800000000 ] - [ 0.0015387400000000, -0.0259357200000000, -0.0273709800000000 ] - [ -0.0000083900000000, -0.0240059700000000, -0.0404755400000000 ] - [ 0.0002908000000000, -0.0244679000000000, -0.0306071400000000 ] - [ -0.0002766200000000, -0.0247202600000000, -0.0306794500000000 ] - [ 0.0018243000000000, -0.0215398600000000, -0.0314940600000000 ] - [ -0.0019115500000000, -0.0356546000000000, -0.0311145800000000 ] - [ 0.0021013400000000, -0.0260291300000000, -0.0315840100000000 ] - [ 0.0031568500000000, -0.0230784000000000, -0.0298692800000000 ] - [ 0.0002898100000000, -0.0243896600000000, -0.0308129600000000 ] - [ -0.0003263100000000, -0.0247792500000000, -0.0308644900000000 ] - [ -0.0020594800000000, -0.0038610700000000, -0.0026699200000000 ] - [ 0.0017482900000000, -0.0061362200000000, -0.0068765200000000 ] - [ -0.0076993700000000, -0.0060115600000000, -0.0073437800000000 ] - [ 0.0021061900000000, -0.0058852300000000, -0.0068774900000000 ] - [ -0.0005464900000000, -0.0058168000000000, -0.0064302800000000 ] - [ 0.0005482500000000, -0.0058340900000000, -0.0067760200000000 ] - [ -0.0018810000000000, -0.0043317700000000, -0.0079900200000000 ] - [ 0.0016776300000000, -0.0061113900000000, -0.0067758800000000 ] - [ -0.0029863200000000, -0.0092190700000000, -0.0075930600000000 ] - [ 0.0016324900000000, -0.0058165000000000, -0.0066934500000000 ] - [ -0.0004500000000000, -0.0058923600000000, -0.0068194600000000 ] - [ 0.0004564700000000, -0.0058379900000000, -0.0067722300000000 ] - [ 0.0008190100000000, 0.0056999500000000, -0.0060819700000000 ] - [ -0.0006435800000000, 0.0062086400000000, -0.0077872300000000 ] - [ 0.0001655300000000, 0.0056883500000000, -0.0061551600000000 ] - [ -0.0001502400000000, 0.0068308000000000, -0.0078051500000000 ] - [ 0.0003219700000000, 0.0069682500000000, -0.0064704100000000 ] - [ -0.0003125200000000, 0.0047141100000000, -0.0068761100000000 ] - [ 0.0102616100000000, 0.0027951100000000, -0.0112548800000000 ] - [ -0.0238776600000000, 0.0098589200000000, -0.0129717700000000 ] - [ 0.0003134200000000, 0.0054776600000000, -0.0065851900000000 ] - [ -0.0003120600000000, 0.0073584400000000, -0.0066951900000000 ] - [ 0.0008564300000000, 0.0072302000000000, -0.0067524400000000 ] - [ -0.0007567900000000, 0.0043064000000000, -0.0067294200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002141700000000, 0.0003116500000000, 0.0110070300000000 ] - [ 0.0001261800000000, 0.0019487700000000, 0.0119052500000000 ] - [ -0.0001380600000000, 0.0026017100000000, 0.0118843800000000 ] - [ 0.0001213000000000, 0.0025125200000000, 0.0120698700000000 ] - [ -0.0000371500000000, 0.0027393100000000, 0.0124954800000000 ] - [ 0.0000361800000000, 0.0027100900000000, 0.0122408400000000 ] - [ 0.0013389100000000, -0.0039084400000000, 0.0074445500000000 ] - [ 0.0001785500000000, 0.0020506400000000, 0.0121141200000000 ] - [ 0.0000516400000000, 0.0038691100000000, 0.0135682000000000 ] - [ 0.0001097800000000, 0.0024972500000000, 0.0122153100000000 ] - [ -0.0000891000000000, 0.0032090500000000, 0.0118506200000000 ] - [ 0.0000350300000000, 0.0026643200000000, 0.0121268300000000 ] - [ 0.0005621200000000, -0.0026669100000000, 0.0124080600000000 ] - [ -0.0018680800000000, -0.0021377600000000, 0.0128824500000000 ] - [ -0.0000399800000000, -0.0028804700000000, 0.0125370900000000 ] - [ 0.0015934600000000, 0.0013454500000000, 0.0092361100000000 ] - [ 0.0000082900000000, -0.0018806800000000, 0.0119417600000000 ] - [ -0.0000114200000000, -0.0018839300000000, 0.0119644200000000 ] - [ 0.0002262200000000, -0.0025314200000000, 0.0117250400000000 ] - [ -0.0002413800000000, -0.0031206500000000, 0.0121904600000000 ] - [ 0.0000374200000000, -0.0025223000000000, 0.0120800900000000 ] - [ 0.0003768100000000, -0.0024237100000000, 0.0126305200000000 ] - [ -0.0000096300000000, -0.0020572600000000, 0.0119668600000000 ] - [ 0.0000069500000000, -0.0020706400000000, 0.0119793300000000 ] - [ 0.0137263400000000, 0.0073655700000000, -0.0012558500000000 ] - [ 0.0001169800000000, -0.0053373700000000, 0.0029975600000000 ] - [ -0.0017525800000000, 0.0027253700000000, 0.0055246700000000 ] - [ 0.0002005000000000, -0.0046330500000000, 0.0033319600000000 ] - [ -0.0001079100000000, -0.0034598900000000, 0.0034049200000000 ] - [ 0.0000262600000000, -0.0044385600000000, 0.0032426500000000 ] - [ -0.0000985500000000, -0.0055666600000000, 0.0025849200000000 ] - [ 0.0000857000000000, -0.0051687200000000, 0.0030351500000000 ] - [ -0.0001934500000000, -0.0047602500000000, 0.0031732100000000 ] - [ 0.0001490400000000, -0.0047319500000000, 0.0031444100000000 ] - [ -0.0000351200000000, -0.0042326800000000, 0.0033764600000000 ] - [ 0.0000368600000000, -0.0044944700000000, 0.0032772800000000 ] - [ 0.0001688000000000, 0.0042358100000000, 0.0033912900000000 ] - [ -0.0004677000000000, 0.0029561600000000, 0.0031264000000000 ] - [ -0.0001072300000000, 0.0047121100000000, 0.0033215500000000 ] - [ 0.0002303600000000, 0.0063026800000000, 0.0020743300000000 ] - [ 0.0000681600000000, 0.0052451600000000, 0.0031046300000000 ] - [ -0.0000610700000000, 0.0053328500000000, 0.0030541700000000 ] - [ 0.0004027200000000, 0.0046128000000000, 0.0030155000000000 ] - [ 0.0001599400000000, 0.0030388300000000, 0.0041317300000000 ] - [ -0.0000060200000000, 0.0044849500000000, 0.0032975600000000 ] - [ 0.0003182200000000, 0.0052278700000000, 0.0031550600000000 ] - [ 0.0000531000000000, 0.0053338000000000, 0.0029367500000000 ] - [ -0.0000516400000000, 0.0053275900000000, 0.0029421000000000 ] - [ -0.0947392600000000, -0.0893636800000000, 0.0618963100000000 ] - [ -0.0095108500000000, -0.0075054800000000, 0.0110679300000000 ] - [ -0.0096673300000000, -0.0063830000000000, 0.0108607300000000 ] - [ -0.0097300300000000, -0.0073505000000000, 0.0110739300000000 ] - [ -0.0104613900000000, -0.0063403300000000, 0.0107602400000000 ] - [ -0.0098614400000000, -0.0073003900000000, 0.0110076900000000 ] - [ -0.0107208100000000, -0.0078824700000000, 0.0109539600000000 ] - [ -0.0097203800000000, -0.0075626200000000, 0.0110999500000000 ] - [ -0.0102840700000000, -0.0073919800000000, 0.0110451000000000 ] - [ -0.0097617500000000, -0.0073713200000000, 0.0110415600000000 ] - [ -0.0101942900000000, -0.0073408300000000, 0.0110961900000000 ] - [ -0.0098594100000000, -0.0073213500000000, 0.0110578900000000 ] - [ 0.0083111100000000, 0.0070790600000000, 0.0116323000000000 ] - [ 0.0108384900000000, 0.0075958200000000, 0.0112130900000000 ] - [ 0.0134605800000000, 0.0089552100000000, 0.0092841400000000 ] - [ 0.0100284500000000, 0.0073984300000000, 0.0111063500000000 ] - [ 0.0100477300000000, 0.0078736000000000, 0.0112153800000000 ] - [ 0.0101470400000000, 0.0076754800000000, 0.0111680500000000 ] - [ 0.0088994100000000, 0.0070816300000000, 0.0104110300000000 ] - [ 0.0107871500000000, 0.0075964800000000, 0.0111270300000000 ] - [ 0.0102478800000000, 0.0089471000000000, 0.0134286000000000 ] - [ 0.0102396600000000, 0.0073975800000000, 0.0110644800000000 ] - [ 0.0101730700000000, 0.0078737100000000, 0.0112201000000000 ] - [ 0.0101139300000000, 0.0076761400000000, 0.0111834000000000 ] - [ -0.0084680300000000, 0.0071875900000000, 0.0115594600000000 ] - [ -0.0106780000000000, 0.0073276000000000, 0.0114082400000000 ] - [ -0.0098130300000000, 0.0073947300000000, 0.0111506900000000 ] - [ -0.0085050600000000, 0.0069528400000000, 0.0105323700000000 ] - [ -0.0101658300000000, 0.0077500000000000, 0.0111503800000000 ] - [ -0.0100622700000000, 0.0078182800000000, 0.0112203200000000 ] - [ -0.0090368400000000, 0.0073318500000000, 0.0104605600000000 ] - [ -0.0104357800000000, 0.0071883700000000, 0.0109436200000000 ] - [ -0.0096984400000000, 0.0069505800000000, 0.0109560600000000 ] - [ -0.0093993800000000, 0.0073975700000000, 0.0112174600000000 ] - [ -0.0102486200000000, 0.0078189500000000, 0.0112101800000000 ] - [ -0.0100348500000000, 0.0077499500000000, 0.0112011500000000 ] - [ 0.0099320000000000, -0.0165204400000000, 0.0137570800000000 ] - [ 0.0106344200000000, -0.0084162900000000, 0.0123036200000000 ] - [ 0.0086966300000000, -0.0056107800000000, 0.0105262100000000 ] - [ 0.0104670300000000, -0.0073730800000000, 0.0111382200000000 ] - [ 0.0102410900000000, -0.0055737200000000, 0.0107677500000000 ] - [ 0.0099827200000000, -0.0073228100000000, 0.0110091700000000 ] - [ 0.0099818000000000, -0.0076270500000000, 0.0107040600000000 ] - [ 0.0104409500000000, -0.0077777400000000, 0.0111729100000000 ] - [ 0.0096250000000000, -0.0073128400000000, 0.0110348500000000 ] - [ 0.0104091800000000, -0.0074491600000000, 0.0110310700000000 ] - [ 0.0099486000000000, -0.0072618200000000, 0.0110607200000000 ] - [ 0.0101137600000000, -0.0073990400000000, 0.0110866500000000 ] - [ 0.0698249300000000, 0.1018081400000000, -0.0723103100000000 ] - [ -0.0009643600000000, 0.0259043000000000, -0.0310971500000000 ] - [ -0.0005131000000000, 0.0198392100000000, -0.0309970700000000 ] - [ -0.0005796600000000, 0.0244983400000000, -0.0309149000000000 ] - [ 0.0007095500000000, 0.0215454500000000, -0.0301248300000000 ] - [ -0.0001040300000000, 0.0242323200000000, -0.0306197200000000 ] - [ 0.0007938800000000, 0.0253964200000000, -0.0294019600000000 ] - [ -0.0005166300000000, 0.0254366900000000, -0.0306256100000000 ] - [ 0.0005244300000000, 0.0244731900000000, -0.0303753100000000 ] - [ -0.0004749300000000, 0.0246118600000000, -0.0306891600000000 ] - [ 0.0001448300000000, 0.0239956800000000, -0.0311846100000000 ] - [ -0.0001602100000000, 0.0243559200000000, -0.0308406400000000 ] - [ -0.0015872500000000, -0.0238004700000000, -0.0310694600000000 ] - [ 0.0025068100000000, -0.0227182900000000, -0.0326204100000000 ] - [ 0.0005433200000000, -0.0246802200000000, -0.0313224000000000 ] - [ -0.0026107200000000, -0.0260891900000000, -0.0282500300000000 ] - [ -0.0000297300000000, -0.0256076900000000, -0.0307504700000000 ] - [ 0.0000354200000000, -0.0258077000000000, -0.0307495500000000 ] - [ -0.0013996400000000, -0.0244210800000000, -0.0301983700000000 ] - [ 0.0015990500000000, -0.0224856300000000, -0.0299447500000000 ] - [ -0.0002658400000000, -0.0242788700000000, -0.0305660200000000 ] - [ -0.0019748900000000, -0.0253299100000000, -0.0310770000000000 ] - [ 0.0000516800000000, -0.0256711200000000, -0.0307859400000000 ] - [ -0.0000348600000000, -0.0257426700000000, -0.0307736400000000 ] - [ -0.0001022700000000, -0.0090023900000000, -0.0128137100000000 ] - [ -0.0000973000000000, -0.0060386900000000, -0.0064907500000000 ] - [ 0.0003956500000000, -0.0046398600000000, -0.0053833800000000 ] - [ -0.0008268500000000, -0.0055661400000000, -0.0068757500000000 ] - [ 0.0001296100000000, -0.0071090600000000, -0.0067334200000000 ] - [ -0.0001620400000000, -0.0064102700000000, -0.0067295900000000 ] - [ 0.0003196500000000, -0.0067828400000000, -0.0045260900000000 ] - [ -0.0002436600000000, -0.0060052300000000, -0.0065160600000000 ] - [ 0.0014204100000000, -0.0034863800000000, -0.0072739300000000 ] - [ -0.0005992500000000, -0.0056608900000000, -0.0068422800000000 ] - [ 0.0001400200000000, -0.0071932400000000, -0.0068920300000000 ] - [ -0.0001373400000000, -0.0063750600000000, -0.0067411900000000 ] - [ -0.0002145700000000, 0.0066106400000000, -0.0067152400000000 ] - [ 0.0000184500000000, 0.0072482800000000, -0.0063569800000000 ] - [ 0.0001089700000000, 0.0057100100000000, -0.0067961600000000 ] - [ -0.0001215900000000, 0.0051520200000000, -0.0061630500000000 ] - [ -0.0002405500000000, 0.0054980800000000, -0.0068184100000000 ] - [ 0.0002498500000000, 0.0057107700000000, -0.0068453300000000 ] - [ -0.0011856300000000, 0.0067524200000000, -0.0066574600000000 ] - [ -0.0020217500000000, 0.0050700800000000, -0.0092828300000000 ] - [ 0.0005831200000000, 0.0056392500000000, -0.0070657000000000 ] - [ -0.0004666600000000, 0.0048729300000000, -0.0069453600000000 ] - [ -0.0010413600000000, 0.0054207500000000, -0.0064402900000000 ] - [ 0.0008449200000000, 0.0054066600000000, -0.0062769700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002140200000000, 0.0044638200000000, 0.0131741200000000 ] - [ -0.0001253200000000, 0.0028335900000000, 0.0122751400000000 ] - [ 0.0001370100000000, 0.0021202700000000, 0.0123017500000000 ] - [ -0.0001206000000000, 0.0022128900000000, 0.0121168400000000 ] - [ 0.0000372200000000, 0.0021221600000000, 0.0116895000000000 ] - [ -0.0000359000000000, 0.0021502100000000, 0.0119452900000000 ] - [ -0.0013086300000000, 0.0087777200000000, 0.0167179100000000 ] - [ -0.0001772000000000, 0.0027325500000000, 0.0120692700000000 ] - [ -0.0000489500000000, 0.0008695100000000, 0.0106351000000000 ] - [ -0.0001091800000000, 0.0022282200000000, 0.0119724500000000 ] - [ 0.0000890400000000, 0.0016501600000000, 0.0123399200000000 ] - [ -0.0000348700000000, 0.0021977100000000, 0.0120617900000000 ] - [ -0.0005627200000000, -0.0021863700000000, 0.0117824700000000 ] - [ 0.0018876300000000, -0.0027300500000000, 0.0113043300000000 ] - [ 0.0000413700000000, -0.0018507800000000, 0.0116533600000000 ] - [ -0.0015814300000000, -0.0060377000000000, 0.0149428600000000 ] - [ -0.0000090700000000, -0.0029004100000000, 0.0122393900000000 ] - [ 0.0000120700000000, -0.0028974700000000, 0.0122165200000000 ] - [ -0.0002262800000000, -0.0023241200000000, 0.0124607700000000 ] - [ 0.0002417100000000, -0.0017307000000000, 0.0119911000000000 ] - [ -0.0000361800000000, -0.0022053100000000, 0.0121070200000000 ] - [ -0.0003760000000000, -0.0023038300000000, 0.0115603200000000 ] - [ 0.0000093600000000, -0.0027244300000000, 0.0122142700000000 ] - [ -0.0000064700000000, -0.0027112200000000, 0.0122037600000000 ] - [ -0.0140845500000000, -0.0172634300000000, 0.0077138100000000 ] - [ -0.0001150100000000, -0.0041685800000000, 0.0033514000000000 ] - [ 0.0017075800000000, -0.0122250700000000, 0.0008628600000000 ] - [ -0.0001992600000000, -0.0049789500000000, 0.0030124500000000 ] - [ 0.0001082300000000, -0.0061298700000000, 0.0029330900000000 ] - [ -0.0000258600000000, -0.0051494400000000, 0.0030960200000000 ] - [ 0.0000982000000000, -0.0039411400000000, 0.0037569100000000 ] - [ -0.0000851700000000, -0.0043389600000000, 0.0033108000000000 ] - [ 0.0001925400000000, -0.0048544100000000, 0.0031727000000000 ] - [ -0.0001479600000000, -0.0048810700000000, 0.0031989100000000 ] - [ 0.0000352500000000, -0.0053550000000000, 0.0029613200000000 ] - [ -0.0000365300000000, -0.0050933800000000, 0.0030604600000000 ] - [ -0.0001660900000000, 0.0053611700000000, 0.0029502000000000 ] - [ 0.0004620400000000, 0.0066277200000000, 0.0032131900000000 ] - [ 0.0001073700000000, 0.0048946100000000, 0.0030243500000000 ] - [ -0.0002290100000000, 0.0033165700000000, 0.0042657700000000 ] - [ -0.0000682500000000, 0.0042641600000000, 0.0032419400000000 ] - [ 0.0000617000000000, 0.0041757700000000, 0.0032923800000000 ] - [ -0.0003974000000000, 0.0049869700000000, 0.0033154500000000 ] - [ -0.0001629000000000, 0.0065806000000000, 0.0021742000000000 ] - [ 0.0000068100000000, 0.0051224100000000, 0.0030480700000000 ] - [ -0.0003181500000000, 0.0043835600000000, 0.0031886600000000 ] - [ -0.0000534300000000, 0.0041743500000000, 0.0034109500000000 ] - [ 0.0000523800000000, 0.0041822300000000, 0.0034054800000000 ] - [ 0.0773552100000000, 0.0747121000000000, -0.0407159300000000 ] - [ -0.0105526000000000, -0.0074060900000000, 0.0111386000000000 ] - [ -0.0104197400000000, -0.0086498500000000, 0.0113372500000000 ] - [ -0.0103599100000000, -0.0076882700000000, 0.0111253300000000 ] - [ -0.0096332100000000, -0.0086040200000000, 0.0114270100000000 ] - [ -0.0102353500000000, -0.0076381900000000, 0.0111784800000000 ] - [ -0.0093607800000000, -0.0070354700000000, 0.0112530100000000 ] - [ -0.0103551000000000, -0.0073531700000000, 0.0111090600000000 ] - [ -0.0098092500000000, -0.0076482000000000, 0.0111553500000000 ] - [ -0.0103278000000000, -0.0076672200000000, 0.0111575700000000 ] - [ -0.0099029000000000, -0.0075970600000000, 0.0110887700000000 ] - [ -0.0102378300000000, -0.0076172100000000, 0.0111276000000000 ] - [ 0.0117917300000000, 0.0078615200000000, 0.0105526200000000 ] - [ 0.0092574900000000, 0.0073460100000000, 0.0109743700000000 ] - [ 0.0066664000000000, 0.0061000200000000, 0.0128928600000000 ] - [ 0.0100673400000000, 0.0076407700000000, 0.0110945400000000 ] - [ 0.0100308800000000, 0.0070442200000000, 0.0109946600000000 ] - [ 0.0099297900000000, 0.0072410000000000, 0.0110415700000000 ] - [ 0.0112003400000000, 0.0078641000000000, 0.0117797100000000 ] - [ 0.0093127900000000, 0.0073467200000000, 0.0110596300000000 ] - [ 0.0098362700000000, 0.0060922000000000, 0.0087800700000000 ] - [ 0.0098540700000000, 0.0076399400000000, 0.0111339200000000 ] - [ 0.0099065600000000, 0.0070443600000000, 0.0109904200000000 ] - [ 0.0099641800000000, 0.0072416600000000, 0.0110274800000000 ] - [ -0.0116408000000000, 0.0077560600000000, 0.0106241200000000 ] - [ -0.0094151200000000, 0.0076102100000000, 0.0107770700000000 ] - [ -0.0102638800000000, 0.0076425100000000, 0.0110482000000000 ] - [ -0.0115775200000000, 0.0080839100000000, 0.0116662300000000 ] - [ -0.0099133700000000, 0.0071672700000000, 0.0110584900000000 ] - [ -0.0100144600000000, 0.0070989100000000, 0.0109893600000000 ] - [ -0.0110572000000000, 0.0076146300000000, 0.0117250700000000 ] - [ -0.0096646600000000, 0.0077567300000000, 0.0112439500000000 ] - [ -0.0103881700000000, 0.0080816200000000, 0.0112387400000000 ] - [ -0.0106902600000000, 0.0076452800000000, 0.0109874200000000 ] - [ -0.0098322400000000, 0.0070995900000000, 0.0110011200000000 ] - [ -0.0100417700000000, 0.0071672400000000, 0.0110085400000000 ] - [ 0.0101907900000000, 0.0016412800000000, 0.0084509000000000 ] - [ 0.0094680000000000, -0.0065164000000000, 0.0099041500000000 ] - [ 0.0113811700000000, -0.0094084500000000, 0.0116665200000000 ] - [ 0.0096256000000000, -0.0076660500000000, 0.0110614500000000 ] - [ 0.0098504400000000, -0.0093712400000000, 0.0114191000000000 ] - [ 0.0101154800000000, -0.0076158300000000, 0.0111778100000000 ] - [ 0.0100963900000000, -0.0072898400000000, 0.0115011700000000 ] - [ 0.0096384400000000, -0.0071395100000000, 0.0110364500000000 ] - [ 0.0104648800000000, -0.0077269500000000, 0.0111661200000000 ] - [ 0.0096839600000000, -0.0075896700000000, 0.0111681700000000 ] - [ 0.0101485000000000, -0.0076759200000000, 0.0111245100000000 ] - [ 0.0099838200000000, -0.0075395700000000, 0.0110991900000000 ] - [ -0.0719920900000000, -0.0525331600000000, 0.0119104700000000 ] - [ 0.0009530400000000, 0.0236830800000000, -0.0303945400000000 ] - [ 0.0004983700000000, 0.0296999400000000, -0.0304837200000000 ] - [ 0.0005776600000000, 0.0250550900000000, -0.0305703100000000 ] - [ -0.0007075800000000, 0.0280292800000000, -0.0313615900000000 ] - [ 0.0001033100000000, 0.0253314000000000, -0.0308671600000000 ] - [ -0.0007871600000000, 0.0241942500000000, -0.0320779500000000 ] - [ 0.0005146000000000, 0.0241556500000000, -0.0308610700000000 ] - [ -0.0005213800000000, 0.0250851400000000, -0.0311105200000000 ] - [ 0.0004726300000000, 0.0249420900000000, -0.0307951200000000 ] - [ -0.0001443200000000, 0.0255663600000000, -0.0302970800000000 ] - [ 0.0001598800000000, 0.0252074700000000, -0.0306430100000000 ] - [ 0.0015926800000000, -0.0257783500000000, -0.0304227100000000 ] - [ -0.0025056800000000, -0.0268545400000000, -0.0288713500000000 ] - [ -0.0005466400000000, -0.0248630900000000, -0.0301668200000000 ] - [ 0.0026031100000000, -0.0234660000000000, -0.0332439100000000 ] - [ 0.0000316800000000, -0.0239852000000000, -0.0307367000000000 ] - [ -0.0000368700000000, -0.0237855000000000, -0.0307380000000000 ] - [ 0.0013935800000000, -0.0251596700000000, -0.0312829800000000 ] - [ -0.0015999200000000, -0.0271144900000000, -0.0315428000000000 ] - [ 0.0002593700000000, -0.0252640600000000, -0.0309160900000000 ] - [ 0.0019817100000000, -0.0242168400000000, -0.0304035000000000 ] - [ -0.0000493600000000, -0.0239223400000000, -0.0307043700000000 ] - [ 0.0000329200000000, -0.0238513000000000, -0.0307164500000000 ] - [ 0.0001004100000000, -0.0030054800000000, -0.0005869100000000 ] - [ 0.0000953300000000, -0.0059788900000000, -0.0069498000000000 ] - [ -0.0004659800000000, -0.0072782500000000, -0.0081388800000000 ] - [ 0.0008214700000000, -0.0064076700000000, -0.0065668900000000 ] - [ -0.0001294400000000, -0.0048709500000000, -0.0066972300000000 ] - [ 0.0001614200000000, -0.0055685800000000, -0.0067053900000000 ] - [ -0.0003181100000000, -0.0052507000000000, -0.0089215700000000 ] - [ 0.0002438500000000, -0.0060140300000000, -0.0069221600000000 ] - [ -0.0014166000000000, -0.0084641900000000, -0.0061607900000000 ] - [ 0.0005959300000000, -0.0063130600000000, -0.0065989000000000 ] - [ -0.0001391100000000, -0.0047889000000000, -0.0065453500000000 ] - [ 0.0001367500000000, -0.0056040600000000, -0.0066934500000000 ] - [ 0.0002106500000000, 0.0053700700000000, -0.0067185100000000 ] - [ -0.0000162100000000, 0.0047365700000000, -0.0070704900000000 ] - [ -0.0001085900000000, 0.0062684000000000, -0.0066465100000000 ] - [ 0.0001212600000000, 0.0068236100000000, -0.0072760000000000 ] - [ 0.0002412100000000, 0.0065179200000000, -0.0066194500000000 ] - [ -0.0002501400000000, 0.0063048400000000, -0.0065913000000000 ] - [ 0.0011578100000000, 0.0052398600000000, -0.0067658900000000 ] - [ 0.0018121400000000, 0.0069406200000000, -0.0042669500000000 ] - [ -0.0005774000000000, 0.0063387200000000, -0.0063790400000000 ] - [ 0.0004633400000000, 0.0071019900000000, -0.0064979900000000 ] - [ 0.0010456000000000, 0.0065941700000000, -0.0070018100000000 ] - [ -0.0008489000000000, 0.0066098500000000, -0.0071658800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012479600000000, 0.0045850500000000, 0.0184983900000000 ] - [ -0.0001158600000000, 0.0026313600000000, 0.0124731700000000 ] - [ 0.0000703100000000, 0.0022398200000000, 0.0123888300000000 ] - [ -0.0000528800000000, 0.0023003400000000, 0.0122358800000000 ] - [ 0.0000328500000000, 0.0024715900000000, 0.0121611500000000 ] - [ -0.0000298700000000, 0.0024154200000000, 0.0121667100000000 ] - [ -0.0127929700000000, -0.0035380400000000, 0.0228535800000000 ] - [ -0.0001121800000000, 0.0024206400000000, 0.0115564400000000 ] - [ -0.0000522100000000, 0.0016926000000000, 0.0111935300000000 ] - [ -0.0000088600000000, 0.0023223700000000, 0.0119109100000000 ] - [ 0.0000350800000000, 0.0021263300000000, 0.0119990300000000 ] - [ -0.0000101700000000, 0.0022821200000000, 0.0119437100000000 ] - [ -0.0001930600000000, -0.0022850900000000, 0.0119596300000000 ] - [ -0.0002761800000000, -0.0015874900000000, 0.0114256600000000 ] - [ 0.0001118900000000, -0.0025513800000000, 0.0120846900000000 ] - [ -0.0007706400000000, -0.0033841300000000, 0.0116642600000000 ] - [ -0.0000131800000000, -0.0025323100000000, 0.0120986500000000 ] - [ 0.0000072400000000, -0.0025068600000000, 0.0120555500000000 ] - [ -0.0001434400000000, -0.0023704100000000, 0.0123353800000000 ] - [ 0.0000883300000000, -0.0030769300000000, 0.0130293100000000 ] - [ -0.0000936400000000, -0.0022583000000000, 0.0123171700000000 ] - [ 0.0002932700000000, -0.0022506100000000, 0.0127913800000000 ] - [ 0.0000051600000000, -0.0025065000000000, 0.0121621800000000 ] - [ -0.0000064000000000, -0.0024932100000000, 0.0121813000000000 ] - [ -0.0005662500000000, -0.0077617900000000, -0.0040429600000000 ] - [ -0.0001824500000000, -0.0044154000000000, 0.0030111400000000 ] - [ 0.0001414500000000, -0.0069004500000000, 0.0009456600000000 ] - [ -0.0000713700000000, -0.0050190700000000, 0.0029108500000000 ] - [ 0.0000645200000000, -0.0051845300000000, 0.0030249800000000 ] - [ -0.0000255400000000, -0.0048871700000000, 0.0030872500000000 ] - [ -0.0000424000000000, -0.0034442300000000, 0.0052620000000000 ] - [ -0.0000212000000000, -0.0045228700000000, 0.0034120900000000 ] - [ 0.0000535700000000, -0.0046134800000000, 0.0034659000000000 ] - [ -0.0000356500000000, -0.0047332400000000, 0.0033912400000000 ] - [ 0.0000056300000000, -0.0049433400000000, 0.0031946400000000 ] - [ -0.0000040000000000, -0.0048766400000000, 0.0031911700000000 ] - [ -0.0000956100000000, 0.0049184900000000, 0.0031011700000000 ] - [ -0.0022530300000000, 0.0062127200000000, 0.0053350100000000 ] - [ 0.0000836200000000, 0.0046284700000000, 0.0032116800000000 ] - [ -0.0002946400000000, 0.0037356600000000, 0.0033145800000000 ] - [ -0.0000153900000000, 0.0046110000000000, 0.0031989500000000 ] - [ 0.0000159000000000, 0.0046967500000000, 0.0031757100000000 ] - [ -0.0005003000000000, 0.0050162200000000, 0.0029652600000000 ] - [ 0.0007700900000000, 0.0021930800000000, 0.0056782500000000 ] - [ -0.0001105600000000, 0.0051925400000000, 0.0031839200000000 ] - [ 0.0003265200000000, 0.0054107800000000, 0.0032081500000000 ] - [ -0.0000190400000000, 0.0045287300000000, 0.0032534800000000 ] - [ 0.0000175800000000, 0.0045188800000000, 0.0032629300000000 ] - [ 0.0555927400000000, 0.0444255000000000, -0.0805711300000000 ] - [ -0.0107845000000000, -0.0074928600000000, 0.0108714100000000 ] - [ -0.0101009000000000, -0.0078516200000000, 0.0111067700000000 ] - [ -0.0101427800000000, -0.0076046400000000, 0.0110756200000000 ] - [ -0.0098079800000000, -0.0077059100000000, 0.0111004700000000 ] - [ -0.0101507900000000, -0.0074951900000000, 0.0110689200000000 ] - [ -0.0098918900000000, -0.0076072800000000, 0.0126826200000000 ] - [ -0.0101879600000000, -0.0074634800000000, 0.0112237900000000 ] - [ -0.0100086100000000, -0.0075148600000000, 0.0112064000000000 ] - [ -0.0101188800000000, -0.0075539400000000, 0.0111553500000000 ] - [ -0.0100851100000000, -0.0075254500000000, 0.0112001400000000 ] - [ -0.0100931600000000, -0.0075278600000000, 0.0111490000000000 ] - [ 0.0105127500000000, 0.0081544300000000, 0.0111961100000000 ] - [ 0.0098131500000000, 0.0074364200000000, 0.0110659600000000 ] - [ 0.0057800500000000, 0.0052091400000000, 0.0124322400000000 ] - [ 0.0101448700000000, 0.0075540400000000, 0.0111543700000000 ] - [ 0.0100697100000000, 0.0073443300000000, 0.0110784800000000 ] - [ 0.0100088800000000, 0.0073807700000000, 0.0110775300000000 ] - [ 0.0106371500000000, 0.0069305100000000, 0.0111924200000000 ] - [ 0.0095067300000000, 0.0073498700000000, 0.0110648900000000 ] - [ 0.0121615200000000, 0.0093284600000000, 0.0124464300000000 ] - [ 0.0095105200000000, 0.0075124200000000, 0.0111532300000000 ] - [ 0.0099382400000000, 0.0073487000000000, 0.0110777500000000 ] - [ 0.0100049800000000, 0.0073958100000000, 0.0110777400000000 ] - [ -0.0104778000000000, 0.0076196100000000, 0.0108906200000000 ] - [ -0.0103666700000000, 0.0081030100000000, 0.0113183500000000 ] - [ -0.0102589200000000, 0.0074074700000000, 0.0109955600000000 ] - [ -0.0113495000000000, 0.0076591800000000, 0.0112006200000000 ] - [ -0.0099962500000000, 0.0073624800000000, 0.0110777000000000 ] - [ -0.0100726200000000, 0.0073544400000000, 0.0110806500000000 ] - [ -0.0110232700000000, 0.0071524300000000, 0.0113124300000000 ] - [ -0.0093977600000000, 0.0070035400000000, 0.0108893500000000 ] - [ -0.0113271200000000, 0.0080868000000000, 0.0111981000000000 ] - [ -0.0093995300000000, 0.0074676200000000, 0.0109936400000000 ] - [ -0.0099344100000000, 0.0073438400000000, 0.0110808500000000 ] - [ -0.0100192700000000, 0.0074127800000000, 0.0110775000000000 ] - [ 0.0155096100000000, -0.0047968000000000, 0.0019899100000000 ] - [ 0.0066853900000000, -0.0062584400000000, 0.0112932800000000 ] - [ 0.0102576300000000, -0.0078451200000000, 0.0111898700000000 ] - [ 0.0099503900000000, -0.0076036900000000, 0.0110269200000000 ] - [ 0.0100776300000000, -0.0080355800000000, 0.0111832500000000 ] - [ 0.0099585700000000, -0.0074303700000000, 0.0110201000000000 ] - [ 0.0103687800000000, -0.0078539200000000, 0.0135238700000000 ] - [ 0.0098936800000000, -0.0073907000000000, 0.0113243700000000 ] - [ 0.0101800800000000, -0.0075504900000000, 0.0111814300000000 ] - [ 0.0099638500000000, -0.0075253400000000, 0.0111829100000000 ] - [ 0.0100787600000000, -0.0075361700000000, 0.0111751100000000 ] - [ 0.0101247300000000, -0.0075380100000000, 0.0111766300000000 ] - [ -0.0726296400000000, -0.0202128000000000, 0.0507805300000000 ] - [ 0.0013129100000000, 0.0238259200000000, -0.0292412100000000 ] - [ -0.0000195900000000, 0.0269815700000000, -0.0308219700000000 ] - [ 0.0001430900000000, 0.0250556000000000, -0.0305008700000000 ] - [ -0.0003666700000000, 0.0255398500000000, -0.0306390000000000 ] - [ 0.0001112300000000, 0.0248882800000000, -0.0305392500000000 ] - [ 0.0000988100000000, 0.0244666500000000, -0.0368452900000000 ] - [ 0.0002191800000000, 0.0245393300000000, -0.0312457900000000 ] - [ -0.0001572200000000, 0.0246424400000000, -0.0312934700000000 ] - [ 0.0001261100000000, 0.0247266400000000, -0.0309509700000000 ] - [ -0.0000415600000000, 0.0250315100000000, -0.0309328600000000 ] - [ 0.0000230200000000, 0.0249193100000000, -0.0309276700000000 ] - [ 0.0003811100000000, -0.0249791500000000, -0.0305364200000000 ] - [ 0.0012303900000000, -0.0281358900000000, -0.0311265000000000 ] - [ -0.0005548100000000, -0.0246004800000000, -0.0306374500000000 ] - [ 0.0030306900000000, -0.0226353300000000, -0.0296086500000000 ] - [ 0.0000121300000000, -0.0245405800000000, -0.0306898700000000 ] - [ -0.0000153300000000, -0.0245768200000000, -0.0307008300000000 ] - [ 0.0014798900000000, -0.0248412200000000, -0.0314029300000000 ] - [ -0.0011347300000000, -0.0221831700000000, -0.0312699300000000 ] - [ 0.0008198700000000, -0.0253873500000000, -0.0314433800000000 ] - [ -0.0021378700000000, -0.0256522200000000, -0.0317525900000000 ] - [ -0.0000292100000000, -0.0245031600000000, -0.0307431000000000 ] - [ 0.0000423000000000, -0.0245256900000000, -0.0307693500000000 ] - [ -0.0007644400000000, -0.0064981100000000, -0.0050892800000000 ] - [ 0.0003140300000000, -0.0061590600000000, -0.0067659800000000 ] - [ -0.0003065500000000, -0.0041847200000000, -0.0069091500000000 ] - [ 0.0005637200000000, -0.0059903200000000, -0.0066636900000000 ] - [ -0.0000795900000000, -0.0056514900000000, -0.0066425000000000 ] - [ 0.0000779000000000, -0.0058688000000000, -0.0066923100000000 ] - [ -0.0000731700000000, -0.0038162600000000, -0.0081905700000000 ] - [ -0.0000717200000000, -0.0059649400000000, -0.0069125100000000 ] - [ 0.0004006100000000, -0.0106203200000000, -0.0091586000000000 ] - [ 0.0000055100000000, -0.0058858800000000, -0.0068700800000000 ] - [ -0.0000220700000000, -0.0055990300000000, -0.0067104800000000 ] - [ 0.0000157700000000, -0.0058796700000000, -0.0067346000000000 ] - [ 0.0000947100000000, 0.0057614800000000, -0.0070244700000000 ] - [ 0.0001158800000000, 0.0057480000000000, -0.0083925700000000 ] - [ -0.0000435600000000, 0.0060923300000000, -0.0068616400000000 ] - [ 0.0000576500000000, 0.0062721300000000, -0.0072608600000000 ] - [ 0.0000694200000000, 0.0061735400000000, -0.0068065500000000 ] - [ -0.0000484300000000, 0.0061800700000000, -0.0070981900000000 ] - [ 0.0000534000000000, 0.0059772200000000, -0.0056889100000000 ] - [ 0.0214337600000000, 0.0063625900000000, 0.0010774300000000 ] - [ -0.0001113000000000, 0.0060822700000000, -0.0064640300000000 ] - [ 0.0001064100000000, 0.0062295200000000, -0.0062247900000000 ] - [ 0.0003450000000000, 0.0062619600000000, -0.0066169700000000 ] - [ -0.0002737200000000, 0.0059909100000000, -0.0063589800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012758400000000, 0.0001527700000000, 0.0056043200000000 ] - [ 0.0001159200000000, 0.0021492700000000, 0.0117084400000000 ] - [ -0.0000711100000000, 0.0024855200000000, 0.0118000900000000 ] - [ 0.0000530600000000, 0.0024260300000000, 0.0119513000000000 ] - [ -0.0000326600000000, 0.0023892100000000, 0.0120280700000000 ] - [ 0.0000295400000000, 0.0024463200000000, 0.0120212500000000 ] - [ 0.0124560800000000, 0.0081709600000000, 0.0016711900000000 ] - [ 0.0001115600000000, 0.0023606300000000, 0.0126213700000000 ] - [ 0.0000519100000000, 0.0030419900000000, 0.0129976000000000 ] - [ 0.0000089100000000, 0.0024035500000000, 0.0122759400000000 ] - [ -0.0000352400000000, 0.0027369000000000, 0.0121858900000000 ] - [ 0.0000097600000000, 0.0025789100000000, 0.0122429800000000 ] - [ 0.0001963300000000, -0.0025744100000000, 0.0122326000000000 ] - [ 0.0002657900000000, -0.0032599200000000, 0.0127737600000000 ] - [ -0.0001117100000000, -0.0021761900000000, 0.0121046400000000 ] - [ 0.0007831500000000, -0.0013385400000000, 0.0125399100000000 ] - [ 0.0000133900000000, -0.0022486300000000, 0.0120834500000000 ] - [ -0.0000073600000000, -0.0022736600000000, 0.0121255200000000 ] - [ 0.0001424900000000, -0.0024912100000000, 0.0118509300000000 ] - [ -0.0000869000000000, -0.0017784400000000, 0.0111519800000000 ] - [ 0.0000923400000000, -0.0024660600000000, 0.0118701000000000 ] - [ -0.0002921200000000, -0.0024740200000000, 0.0113944200000000 ] - [ -0.0000054500000000, -0.0022747700000000, 0.0120178200000000 ] - [ 0.0000066700000000, -0.0022879100000000, 0.0120007200000000 ] - [ 0.0006161800000000, -0.0017322300000000, 0.0103221500000000 ] - [ 0.0001820800000000, -0.0050924500000000, 0.0033350400000000 ] - [ -0.0001416700000000, -0.0026983300000000, 0.0054213400000000 ] - [ 0.0000719100000000, -0.0045932500000000, 0.0034330100000000 ] - [ -0.0000650700000000, -0.0044002900000000, 0.0033126600000000 ] - [ 0.0000254100000000, -0.0047005000000000, 0.0032506600000000 ] - [ 0.0000449500000000, -0.0060791700000000, 0.0010746600000000 ] - [ 0.0000208600000000, -0.0049862100000000, 0.0029347900000000 ] - [ -0.0000538200000000, -0.0049945200000000, 0.0028784300000000 ] - [ 0.0000359500000000, -0.0048782000000000, 0.0029528700000000 ] - [ -0.0000053300000000, -0.0046447500000000, 0.0031435700000000 ] - [ 0.0000039400000000, -0.0047107100000000, 0.0031472800000000 ] - [ 0.0000966800000000, 0.0046698600000000, 0.0032417000000000 ] - [ 0.0022834000000000, 0.0033687300000000, 0.0009801300000000 ] - [ -0.0000844300000000, 0.0049825100000000, 0.0031334100000000 ] - [ 0.0002961100000000, 0.0058798200000000, 0.0030325600000000 ] - [ 0.0000156500000000, 0.0048986400000000, 0.0031480800000000 ] - [ -0.0000159100000000, 0.0048129200000000, 0.0031713900000000 ] - [ 0.0004987000000000, 0.0045743000000000, 0.0033691800000000 ] - [ -0.0007694500000000, 0.0074141600000000, 0.0006418500000000 ] - [ 0.0001094800000000, 0.0044222000000000, 0.0031599600000000 ] - [ -0.0003251500000000, 0.0042034800000000, 0.0031357700000000 ] - [ 0.0000191700000000, 0.0049799100000000, 0.0030924500000000 ] - [ -0.0000174500000000, 0.0049920500000000, 0.0030831000000000 ] - [ -0.0735487200000000, -0.0581868100000000, 0.1026399500000000 ] - [ -0.0092891600000000, -0.0074221000000000, 0.0113342700000000 ] - [ -0.0099901900000000, -0.0071846900000000, 0.0110909400000000 ] - [ -0.0099479700000000, -0.0074339300000000, 0.0111229200000000 ] - [ -0.0102893700000000, -0.0072291700000000, 0.0110841800000000 ] - [ -0.0099472600000000, -0.0074437500000000, 0.0111161500000000 ] - [ -0.0101779000000000, -0.0073081000000000, 0.0095260300000000 ] - [ -0.0098909100000000, -0.0074543200000000, 0.0109863900000000 ] - [ -0.0100821200000000, -0.0075222500000000, 0.0109925500000000 ] - [ -0.0099720400000000, -0.0074842100000000, 0.0110433800000000 ] - [ -0.0100109100000000, -0.0074152100000000, 0.0109863400000000 ] - [ -0.0100055700000000, -0.0074118100000000, 0.0110369700000000 ] - [ 0.0095873300000000, 0.0067860400000000, 0.0109954500000000 ] - [ 0.0102855000000000, 0.0075040000000000, 0.0111211400000000 ] - [ 0.0143757000000000, 0.0098579500000000, 0.0097424500000000 ] - [ 0.0099469400000000, 0.0074847200000000, 0.0110460000000000 ] - [ 0.0100089300000000, 0.0075740700000000, 0.0111324200000000 ] - [ 0.0100686200000000, 0.0075367100000000, 0.0111326600000000 ] - [ 0.0094696700000000, 0.0080100900000000, 0.0109916800000000 ] - [ 0.0105886100000000, 0.0075886400000000, 0.0111200000000000 ] - [ 0.0079489300000000, 0.0057199000000000, 0.0097565600000000 ] - [ 0.0105750300000000, 0.0075243200000000, 0.0110448500000000 ] - [ 0.0101407200000000, 0.0075696000000000, 0.0111316900000000 ] - [ 0.0100732200000000, 0.0075224200000000, 0.0111328700000000 ] - [ -0.0096179800000000, 0.0073192600000000, 0.0112977100000000 ] - [ -0.0097350100000000, 0.0068387000000000, 0.0108726300000000 ] - [ -0.0098244900000000, 0.0076375600000000, 0.0112070500000000 ] - [ -0.0087283600000000, 0.0073766000000000, 0.0109996800000000 ] - [ -0.0100822800000000, 0.0075552000000000, 0.0111321600000000 ] - [ -0.0100056400000000, 0.0075636300000000, 0.0111292600000000 ] - [ -0.0090795500000000, 0.0077836500000000, 0.0108666500000000 ] - [ -0.0107004600000000, 0.0079390000000000, 0.0112964600000000 ] - [ -0.0087744000000000, 0.0069530100000000, 0.0109970900000000 ] - [ -0.0106873200000000, 0.0075703200000000, 0.0112051900000000 ] - [ -0.0101456800000000, 0.0075748300000000, 0.0111293600000000 ] - [ -0.0100581100000000, 0.0075047700000000, 0.0111319700000000 ] - [ 0.0045883600000000, -0.0101027500000000, 0.0202114300000000 ] - [ 0.0133868400000000, -0.0086578800000000, 0.0109110500000000 ] - [ 0.0098332400000000, -0.0071938400000000, 0.0110085300000000 ] - [ 0.0101416100000000, -0.0074350900000000, 0.0111721600000000 ] - [ 0.0100206700000000, -0.0068953300000000, 0.0110018100000000 ] - [ 0.0101368800000000, -0.0075071200000000, 0.0111653300000000 ] - [ 0.0096968000000000, -0.0070566900000000, 0.0086794800000000 ] - [ 0.0101842000000000, -0.0075271100000000, 0.0108858200000000 ] - [ 0.0099098300000000, -0.0074867100000000, 0.0110181700000000 ] - [ 0.0101275200000000, -0.0075127900000000, 0.0110160300000000 ] - [ 0.0100189900000000, -0.0074049300000000, 0.0110118800000000 ] - [ 0.0099714600000000, -0.0074008200000000, 0.0110096600000000 ] - [ 0.0705481000000000, 0.0686616000000000, -0.1120546200000000 ] - [ -0.0013104500000000, 0.0257591400000000, -0.0322402700000000 ] - [ 0.0000234800000000, 0.0225536900000000, -0.0306551800000000 ] - [ -0.0001441900000000, 0.0244965500000000, -0.0309837400000000 ] - [ 0.0003704000000000, 0.0240107400000000, -0.0308409000000000 ] - [ -0.0001097500000000, 0.0246732800000000, -0.0309447900000000 ] - [ -0.0001099100000000, 0.0251212200000000, -0.0246357000000000 ] - [ -0.0002184800000000, 0.0250560800000000, -0.0302438500000000 ] - [ 0.0001580800000000, 0.0249036400000000, -0.0301932900000000 ] - [ -0.0001266500000000, 0.0248241300000000, -0.0305339100000000 ] - [ 0.0000403300000000, 0.0245332300000000, -0.0305555500000000 ] - [ -0.0000217700000000, 0.0246433100000000, -0.0305591100000000 ] - [ -0.0003839900000000, -0.0245849400000000, -0.0309575900000000 ] - [ -0.0012337700000000, -0.0214271200000000, -0.0303826100000000 ] - [ 0.0005597000000000, -0.0249493000000000, -0.0308542200000000 ] - [ -0.0030490300000000, -0.0269306600000000, -0.0318930200000000 ] - [ -0.0000122000000000, -0.0250545500000000, -0.0308003200000000 ] - [ 0.0000151800000000, -0.0250196200000000, -0.0307889500000000 ] - [ -0.0014734200000000, -0.0247207600000000, -0.0300818000000000 ] - [ 0.0011264600000000, -0.0274025200000000, -0.0302163700000000 ] - [ -0.0008143700000000, -0.0241663700000000, -0.0300434900000000 ] - [ 0.0021348500000000, -0.0238952200000000, -0.0297298900000000 ] - [ 0.0000298700000000, -0.0250925000000000, -0.0307461400000000 ] - [ -0.0000430700000000, -0.0250711000000000, -0.0307200800000000 ] - [ 0.0007630600000000, -0.0055248900000000, -0.0083767800000000 ] - [ -0.0003118400000000, -0.0058597100000000, -0.0066739300000000 ] - [ 0.0002310700000000, -0.0077392800000000, -0.0065768400000000 ] - [ -0.0005668900000000, -0.0059814600000000, -0.0067816500000000 ] - [ 0.0000798700000000, -0.0063312800000000, -0.0067933700000000 ] - [ -0.0000780100000000, -0.0061122300000000, -0.0067428900000000 ] - [ 0.0000705200000000, -0.0081768200000000, -0.0052365900000000 ] - [ 0.0000737500000000, -0.0060531000000000, -0.0065264300000000 ] - [ -0.0004039500000000, -0.0013908700000000, -0.0042917100000000 ] - [ -0.0000050700000000, -0.0060866600000000, -0.0065719400000000 ] - [ 0.0000221700000000, -0.0063851300000000, -0.0067239700000000 ] - [ -0.0000158700000000, -0.0061011100000000, -0.0067005100000000 ] - [ -0.0000860900000000, 0.0062188900000000, -0.0064154300000000 ] - [ -0.0001232900000000, 0.0062365200000000, -0.0050446400000000 ] - [ 0.0000443800000000, 0.0058819300000000, -0.0065814400000000 ] - [ -0.0000586800000000, 0.0057010500000000, -0.0061805600000000 ] - [ -0.0000684900000000, 0.0058438500000000, -0.0066344300000000 ] - [ 0.0000474200000000, 0.0058340600000000, -0.0063428800000000 ] - [ -0.0000692000000000, 0.0060114100000000, -0.0077306900000000 ] - [ -0.0211868300000000, 0.0056781500000000, -0.0146417400000000 ] - [ 0.0001120200000000, 0.0058921700000000, -0.0069769200000000 ] - [ -0.0001072800000000, 0.0057433900000000, -0.0072173500000000 ] - [ -0.0003489800000000, 0.0057545600000000, -0.0068194400000000 ] - [ 0.0002759400000000, 0.0060207800000000, -0.0070772100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016052200000000, 0.0023700400000000, 0.0120927400000000 ] - [ -0.0009051000000000, 0.0023879600000000, 0.0120894400000000 ] - [ 0.0005143100000000, 0.0023629500000000, 0.0120915500000000 ] - [ -0.0004376800000000, 0.0023632400000000, 0.0120932300000000 ] - [ 0.0004076700000000, 0.0024346800000000, 0.0120940200000000 ] - [ -0.0004222500000000, 0.0024322800000000, 0.0120944600000000 ] - [ 0.0367135800000000, 0.0023953800000000, 0.0115480400000000 ] - [ -0.0013643100000000, 0.0023891500000000, 0.0120894500000000 ] - [ 0.0002260000000000, 0.0023801600000000, 0.0121148400000000 ] - [ -0.0004331600000000, 0.0023623100000000, 0.0120942100000000 ] - [ 0.0004140100000000, 0.0024333100000000, 0.0120945900000000 ] - [ -0.0004703000000000, 0.0024329000000000, 0.0120942500000000 ] - [ -0.0020010500000000, -0.0060584700000000, 0.0095896300000000 ] - [ -0.0020322400000000, 0.0012237900000000, 0.0146456000000000 ] - [ -0.0015217100000000, 0.0018865500000000, 0.0087226200000000 ] - [ -0.0015124500000000, -0.0066078300000000, 0.0154801300000000 ] - [ 0.0000280200000000, -0.0025510200000000, 0.0122127600000000 ] - [ 0.0000294400000000, -0.0022239500000000, 0.0119663000000000 ] - [ -0.0001518500000000, -0.0044972700000000, 0.0143150000000000 ] - [ -0.0001529200000000, -0.0003591600000000, 0.0098628600000000 ] - [ -0.0005802100000000, -0.0021781500000000, 0.0132476900000000 ] - [ -0.0005796500000000, -0.0025520600000000, 0.0109378700000000 ] - [ 0.0000034300000000, -0.0025829600000000, 0.0122042100000000 ] - [ 0.0000045200000000, -0.0021948700000000, 0.0119760600000000 ] - [ 0.0331714400000000, -0.0041666100000000, 0.0031891100000000 ] - [ -0.0013235300000000, -0.0047542100000000, 0.0031731100000000 ] - [ 0.0016555100000000, -0.0048149600000000, 0.0031968600000000 ] - [ -0.0007316700000000, -0.0048071400000000, 0.0031731900000000 ] - [ 0.0001187100000000, -0.0047882100000000, 0.0031696000000000 ] - [ -0.0003536300000000, -0.0047906900000000, 0.0031699500000000 ] - [ 0.0005731000000000, -0.0047649000000000, 0.0031666900000000 ] - [ -0.0007853100000000, -0.0047563100000000, 0.0031726800000000 ] - [ 0.0006792000000000, -0.0048061100000000, 0.0031688700000000 ] - [ -0.0005646500000000, -0.0048071300000000, 0.0031716000000000 ] - [ 0.0003253000000000, -0.0047915100000000, 0.0031697700000000 ] - [ -0.0002951900000000, -0.0047916400000000, 0.0031700300000000 ] - [ -0.0015091300000000, 0.0038151800000000, 0.0002952000000000 ] - [ -0.0015153000000000, 0.0057663000000000, 0.0060650700000000 ] - [ -0.0002275600000000, 0.0071521300000000, 0.0014985400000000 ] - [ -0.0002229600000000, 0.0024671400000000, 0.0048468100000000 ] - [ 0.0000088800000000, 0.0044032100000000, 0.0031093100000000 ] - [ 0.0000094400000000, 0.0051131400000000, 0.0032363000000000 ] - [ -0.0017571100000000, -0.0003107300000000, 0.0084279900000000 ] - [ -0.0017778300000000, 0.0099315000000000, -0.0021097100000000 ] - [ -0.0005133700000000, 0.0063130500000000, 0.0029217300000000 ] - [ -0.0005128900000000, 0.0032946100000000, 0.0034228600000000 ] - [ 0.0000000000000000, 0.0043569600000000, 0.0031159800000000 ] - [ 0.0000010200000000, 0.0051609900000000, 0.0032295100000000 ] - [ 0.1635190100000000, 0.0661170100000000, -0.0632224700000000 ] - [ -0.0150267000000000, -0.0084204000000000, 0.0124153800000000 ] - [ -0.0084772300000000, -0.0067993400000000, 0.0107262900000000 ] - [ -0.0113761000000000, -0.0076231500000000, 0.0112101100000000 ] - [ -0.0083581600000000, -0.0079739100000000, 0.0110727900000000 ] - [ -0.0116539300000000, -0.0080458000000000, 0.0112354000000000 ] - [ -0.0072599500000000, -0.0066679700000000, 0.0112052000000000 ] - [ -0.0124935900000000, -0.0079755800000000, 0.0113228700000000 ] - [ -0.0088730600000000, -0.0073738600000000, 0.0110583400000000 ] - [ -0.0112075900000000, -0.0076789600000000, 0.0111213000000000 ] - [ -0.0087157000000000, -0.0069455000000000, 0.0109347500000000 ] - [ -0.0113065500000000, -0.0079414900000000, 0.0112187800000000 ] - [ 0.0119848100000000, 0.0090728300000000, 0.0122253800000000 ] - [ 0.0082195400000000, 0.0060753800000000, 0.0096233400000000 ] - [ 0.0069223400000000, 0.0055534300000000, 0.0132241300000000 ] - [ 0.0079355800000000, 0.0072527200000000, 0.0102826700000000 ] - [ 0.0103689700000000, 0.0074269700000000, 0.0110626800000000 ] - [ 0.0097462000000000, 0.0075101000000000, 0.0111345900000000 ] - [ 0.0104579000000000, 0.0099888400000000, 0.0098485200000000 ] - [ 0.0081055200000000, 0.0058842400000000, 0.0107098000000000 ] - [ 0.0100604500000000, 0.0049030000000000, 0.0080488700000000 ] - [ 0.0084985700000000, 0.0080605400000000, 0.0116558400000000 ] - [ 0.0103207500000000, 0.0074972200000000, 0.0111213700000000 ] - [ 0.0097460800000000, 0.0074292000000000, 0.0110937700000000 ] - [ -0.0081417300000000, 0.0058732100000000, 0.0099634400000000 ] - [ -0.0118803300000000, 0.0088693200000000, 0.0125771800000000 ] - [ -0.0132363100000000, 0.0095102400000000, 0.0089517300000000 ] - [ -0.0121343800000000, 0.0077780100000000, 0.0119165700000000 ] - [ -0.0097130500000000, 0.0074945400000000, 0.0111476100000000 ] - [ -0.0103298900000000, 0.0074091700000000, 0.0110757600000000 ] - [ -0.0096503600000000, 0.0049759400000000, 0.0123125300000000 ] - [ -0.0119989900000000, 0.0090642000000000, 0.0114754600000000 ] - [ -0.0100242000000000, 0.0101167300000000, 0.0141280200000000 ] - [ -0.0115830800000000, 0.0069709800000000, 0.0105416700000000 ] - [ -0.0097647000000000, 0.0074254300000000, 0.0110906300000000 ] - [ -0.0103297200000000, 0.0074902700000000, 0.0111172800000000 ] - [ 0.1762774800000000, -0.0757843200000000, 0.0800419900000000 ] - [ 0.0050595000000000, -0.0065033000000000, 0.0097918200000000 ] - [ 0.0115938400000000, -0.0082161300000000, 0.0114638700000000 ] - [ 0.0087167700000000, -0.0074154900000000, 0.0109897100000000 ] - [ 0.0117265900000000, -0.0069624200000000, 0.0111161000000000 ] - [ 0.0084402300000000, -0.0068885100000000, 0.0109490000000000 ] - [ 0.0127992900000000, -0.0082491800000000, 0.0109966500000000 ] - [ 0.0075817800000000, -0.0069441200000000, 0.0108862300000000 ] - [ 0.0112157100000000, -0.0076632600000000, 0.0111407100000000 ] - [ 0.0088842400000000, -0.0073590700000000, 0.0110766600000000 ] - [ 0.0113788800000000, -0.0079916600000000, 0.0112504100000000 ] - [ 0.0087895100000000, -0.0069942500000000, 0.0109661200000000 ] - [ -0.4433658600000000, 0.0188364100000000, -0.0248758100000000 ] - [ 0.0076287100000000, 0.0247944600000000, -0.0307418500000000 ] - [ -0.0007966400000000, 0.0247618300000000, -0.0307356300000000 ] - [ 0.0020566800000000, 0.0247775300000000, -0.0307441100000000 ] - [ -0.0007965700000000, 0.0247734800000000, -0.0307363700000000 ] - [ 0.0020566400000000, 0.0247756100000000, -0.0307412100000000 ] - [ -0.0017846600000000, 0.0247907100000000, -0.0307312500000000 ] - [ 0.0035957600000000, 0.0247992500000000, -0.0307420600000000 ] - [ -0.0019269300000000, 0.0247762200000000, -0.0307399800000000 ] - [ 0.0017321700000000, 0.0247767600000000, -0.0307417000000000 ] - [ -0.0019269300000000, 0.0247772000000000, -0.0307434700000000 ] - [ 0.0017320900000000, 0.0247771300000000, -0.0307427800000000 ] - [ 0.0028975100000000, -0.0198529500000000, -0.0236160300000000 ] - [ 0.0029028900000000, -0.0297225000000000, -0.0379623500000000 ] - [ 0.0033044700000000, -0.0281567800000000, -0.0260268600000000 ] - [ 0.0032610100000000, -0.0214050200000000, -0.0354933400000000 ] - [ -0.0000373800000000, -0.0244908500000000, -0.0307288700000000 ] - [ -0.0000414000000000, -0.0251140000000000, -0.0307583900000000 ] - [ 0.0028856500000000, -0.0169130400000000, -0.0332160700000000 ] - [ 0.0029150300000000, -0.0327137100000000, -0.0282355900000000 ] - [ 0.0032744600000000, -0.0272326700000000, -0.0319462200000000 ] - [ 0.0032911800000000, -0.0222940600000000, -0.0295241000000000 ] - [ -0.0000364400000000, -0.0243863000000000, -0.0307093500000000 ] - [ -0.0000423600000000, -0.0252196400000000, -0.0307808100000000 ] - [ -0.0042699900000000, -0.0059929400000000, -0.0066916500000000 ] - [ 0.0027722400000000, -0.0060110300000000, -0.0067205000000000 ] - [ -0.0168517800000000, -0.0060211500000000, -0.0066742400000000 ] - [ 0.0032324600000000, -0.0059812300000000, -0.0067250600000000 ] - [ -0.0006816000000000, -0.0059966500000000, -0.0067156800000000 ] - [ 0.0007404400000000, -0.0059923200000000, -0.0067184400000000 ] - [ -0.0047053400000000, -0.0059966600000000, -0.0067197700000000 ] - [ 0.0026989300000000, -0.0060114300000000, -0.0067169700000000 ] - [ -0.0054504400000000, -0.0060055800000000, -0.0067296900000000 ] - [ 0.0027878800000000, -0.0059818800000000, -0.0067202700000000 ] - [ -0.0006963000000000, -0.0059984600000000, -0.0067187400000000 ] - [ 0.0006968800000000, -0.0059919200000000, -0.0067176700000000 ] - [ 0.0000693500000000, 0.0058662900000000, -0.0050587500000000 ] - [ 0.0000609000000000, 0.0061314800000000, -0.0083758500000000 ] - [ 0.0000215400000000, 0.0051860500000000, -0.0058015300000000 ] - [ 0.0000178700000000, 0.0067849000000000, -0.0076374400000000 ] - [ 0.0000504400000000, 0.0076933900000000, -0.0064302000000000 ] - [ 0.0000481000000000, 0.0043136000000000, -0.0070085400000000 ] - [ 0.0299029000000000, -0.0014567100000000, -0.0147396000000000 ] - [ 0.0301683400000000, 0.0135806000000000, 0.0013211000000000 ] - [ -0.0000632800000000, 0.0048239700000000, -0.0063940200000000 ] - [ -0.0000743000000000, 0.0071465300000000, -0.0070546800000000 ] - [ 0.0000475000000000, 0.0087575200000000, -0.0065404000000000 ] - [ 0.0000501700000000, 0.0032337500000000, -0.0068966700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0069630900000000, 0.0118954200000000 ] - [ 0.0000000000000000, 0.0036398600000000, 0.0123627100000000 ] - [ 0.0000000000000000, 0.0012584900000000, 0.0122403500000000 ] - [ 0.0000000000000000, 0.0018059000000000, 0.0119685200000000 ] - [ 0.0000000000000000, 0.0021506700000000, 0.0105245700000000 ] - [ 0.0000000000000000, 0.0014878800000000, 0.0114377700000000 ] - [ 0.0000000000000000, 0.0500863900000000, 0.0419039800000000 ] - [ 0.0000000000000000, 0.0036695800000000, 0.0119641700000000 ] - [ 0.0000000000000000, -0.0003487000000000, 0.0101764700000000 ] - [ 0.0000000000000000, 0.0017533200000000, 0.0118361800000000 ] - [ 0.0000000000000000, -0.0002448300000000, 0.0131913700000000 ] - [ 0.0000000000000000, 0.0019790300000000, 0.0121053600000000 ] - [ -0.0023599200000000, 0.0010841500000000, 0.0121328500000000 ] - [ 0.0023599200000000, 0.0010841500000000, 0.0121328500000000 ] - [ 0.0008387800000000, -0.0047498200000000, 0.0142319100000000 ] - [ -0.0008387800000000, -0.0047498200000000, 0.0142319100000000 ] - [ -0.0001410000000000, -0.0038044000000000, 0.0124423500000000 ] - [ 0.0001410000000000, -0.0038044000000000, 0.0124423500000000 ] - [ -0.0008820200000000, 0.0000884300000000, 0.0120068400000000 ] - [ 0.0008820200000000, 0.0000884300000000, 0.0120068400000000 ] - [ 0.0005764900000000, -0.0024949100000000, 0.0110722200000000 ] - [ -0.0005764900000000, -0.0024949100000000, 0.0110722200000000 ] - [ -0.0000438000000000, -0.0033325800000000, 0.0124577800000000 ] - [ 0.0000438000000000, -0.0033325800000000, 0.0124577800000000 ] - [ 0.0000000000000000, 0.2651878200000000, 0.0396611700000000 ] - [ 0.0000000000000000, -0.0022082900000000, 0.0040302100000000 ] - [ 0.0000000000000000, -0.0109768800000000, 0.0016808800000000 ] - [ 0.0000000000000000, -0.0055564900000000, 0.0028783800000000 ] - [ 0.0000000000000000, -0.0088443000000000, 0.0023465200000000 ] - [ 0.0000000000000000, -0.0055538500000000, 0.0030459400000000 ] - [ 0.0000000000000000, -0.0022185500000000, 0.0029984200000000 ] - [ 0.0000000000000000, -0.0034189500000000, 0.0033807900000000 ] - [ 0.0000000000000000, -0.0057499200000000, 0.0026841100000000 ] - [ 0.0000000000000000, -0.0053615800000000, 0.0029597900000000 ] - [ 0.0000000000000000, -0.0064055100000000, 0.0024089800000000 ] - [ 0.0000000000000000, -0.0055578600000000, 0.0027887000000000 ] - [ 0.0004087400000000, 0.0092632100000000, 0.0045339900000000 ] - [ -0.0004087400000000, 0.0092632100000000, 0.0045339900000000 ] - [ 0.0002871500000000, 0.0033059100000000, 0.0042329500000000 ] - [ -0.0002871500000000, 0.0033059100000000, 0.0042329500000000 ] - [ -0.0002874500000000, 0.0032126300000000, 0.0034910100000000 ] - [ 0.0002874500000000, 0.0032126300000000, 0.0034910100000000 ] - [ 0.0002437900000000, 0.0105245700000000, -0.0004517700000000 ] - [ -0.0002437900000000, 0.0105245700000000, -0.0004517700000000 ] - [ 0.0005955100000000, 0.0036845400000000, 0.0030912200000000 ] - [ -0.0005955100000000, 0.0036845400000000, 0.0030912200000000 ] - [ -0.0002746600000000, 0.0031718400000000, 0.0039583600000000 ] - [ 0.0002746600000000, 0.0031718400000000, 0.0039583600000000 ] - [ 0.0646816500000000, 0.0698694000000000, -0.0340222100000000 ] - [ -0.0088658100000000, -0.0063493300000000, 0.0101394400000000 ] - [ -0.0118104800000000, -0.0107779900000000, 0.0118673800000000 ] - [ -0.0100319800000000, -0.0080686500000000, 0.0112067400000000 ] - [ -0.0085914200000000, -0.0124063000000000, 0.0133163600000000 ] - [ -0.0102825300000000, -0.0077495200000000, 0.0113736200000000 ] - [ -0.0095282800000000, -0.0068547700000000, 0.0107782200000000 ] - [ -0.0097473800000000, -0.0068171100000000, 0.0108457900000000 ] - [ -0.0103322900000000, -0.0083055400000000, 0.0113488500000000 ] - [ -0.0100108700000000, -0.0079446800000000, 0.0112372700000000 ] - [ -0.0098322500000000, -0.0077751100000000, 0.0109592200000000 ] - [ -0.0101653500000000, -0.0076356300000000, 0.0110435300000000 ] - [ 0.0209569700000000, 0.0097823100000000, 0.0084764200000000 ] - [ 0.0068069600000000, 0.0078346100000000, 0.0111559100000000 ] - [ 0.0083441700000000, 0.0069620400000000, 0.0119778100000000 ] - [ 0.0113010200000000, 0.0080136300000000, 0.0117097400000000 ] - [ 0.0100201600000000, 0.0065102700000000, 0.0108325200000000 ] - [ 0.0096340400000000, 0.0065834800000000, 0.0108101900000000 ] - [ 0.0139932700000000, 0.0095316600000000, 0.0144177100000000 ] - [ 0.0084392000000000, 0.0084550100000000, 0.0112880800000000 ] - [ 0.0092682800000000, 0.0062092300000000, 0.0089497800000000 ] - [ 0.0112064000000000, 0.0076131500000000, 0.0109264700000000 ] - [ 0.0099598100000000, 0.0064454700000000, 0.0108822400000000 ] - [ 0.0097142900000000, 0.0066473000000000, 0.0108476500000000 ] - [ -0.0209569700000000, 0.0097823100000000, 0.0084764200000000 ] - [ -0.0068069600000000, 0.0078346100000000, 0.0111559100000000 ] - [ -0.0083441700000000, 0.0069620400000000, 0.0119778100000000 ] - [ -0.0113010200000000, 0.0080136300000000, 0.0117097400000000 ] - [ -0.0100201600000000, 0.0065102700000000, 0.0108325200000000 ] - [ -0.0096340400000000, 0.0065834800000000, 0.0108101900000000 ] - [ -0.0139932700000000, 0.0095316600000000, 0.0144177100000000 ] - [ -0.0084392000000000, 0.0084550100000000, 0.0112880800000000 ] - [ -0.0092682800000000, 0.0062092300000000, 0.0089497800000000 ] - [ -0.0112064000000000, 0.0076131500000000, 0.0109264700000000 ] - [ -0.0099598100000000, 0.0064454700000000, 0.0108822400000000 ] - [ -0.0097142900000000, 0.0066473000000000, 0.0108476500000000 ] - [ -0.0646816500000000, 0.0698694000000000, -0.0340222100000000 ] - [ 0.0088658100000000, -0.0063493300000000, 0.0101394400000000 ] - [ 0.0118104800000000, -0.0107779900000000, 0.0118673800000000 ] - [ 0.0100319800000000, -0.0080686500000000, 0.0112067400000000 ] - [ 0.0085914200000000, -0.0124063000000000, 0.0133163600000000 ] - [ 0.0102825300000000, -0.0077495200000000, 0.0113736200000000 ] - [ 0.0095282800000000, -0.0068547700000000, 0.0107782200000000 ] - [ 0.0097473800000000, -0.0068171100000000, 0.0108457900000000 ] - [ 0.0103322900000000, -0.0083055400000000, 0.0113488500000000 ] - [ 0.0100108700000000, -0.0079446800000000, 0.0112372700000000 ] - [ 0.0098322500000000, -0.0077751100000000, 0.0109592200000000 ] - [ 0.0101653500000000, -0.0076356300000000, 0.0110435300000000 ] - [ 0.0000000000000000, -0.4787034800000000, -0.0284914500000000 ] - [ 0.0000000000000000, 0.0198271400000000, -0.0291136200000000 ] - [ 0.0000000000000000, 0.0348712800000000, -0.0291289500000000 ] - [ 0.0000000000000000, 0.0259984600000000, -0.0305753100000000 ] - [ 0.0000000000000000, 0.0347974100000000, -0.0321680300000000 ] - [ 0.0000000000000000, 0.0260102900000000, -0.0311012800000000 ] - [ 0.0000000000000000, 0.0220815500000000, -0.0288506200000000 ] - [ 0.0000000000000000, 0.0225963800000000, -0.0305746900000000 ] - [ 0.0000000000000000, 0.0268454500000000, -0.0313105900000000 ] - [ 0.0000000000000000, 0.0257370500000000, -0.0307106700000000 ] - [ 0.0000000000000000, 0.0268497100000000, -0.0286327400000000 ] - [ 0.0000000000000000, 0.0257465200000000, -0.0300548200000000 ] - [ 0.0078977500000000, -0.0341690000000000, -0.0327088100000000 ] - [ -0.0078977500000000, -0.0341690000000000, -0.0327088100000000 ] - [ -0.0024834000000000, -0.0230430900000000, -0.0335886000000000 ] - [ 0.0024834000000000, -0.0230430900000000, -0.0335886000000000 ] - [ 0.0004133600000000, -0.0222146200000000, -0.0306027100000000 ] - [ -0.0004133600000000, -0.0222146200000000, -0.0306027100000000 ] - [ 0.0049076600000000, -0.0341404900000000, -0.0324485900000000 ] - [ -0.0049076600000000, -0.0341404900000000, -0.0324485900000000 ] - [ -0.0033888300000000, -0.0230433700000000, -0.0293901800000000 ] - [ 0.0033888300000000, -0.0230433700000000, -0.0293901800000000 ] - [ 0.0003073000000000, -0.0222172300000000, -0.0307881300000000 ] - [ -0.0003073000000000, -0.0222172300000000, -0.0307881300000000 ] - [ 0.0000000000000000, 0.0118970700000000, 0.0267914800000000 ] - [ 0.0000000000000000, -0.0060658500000000, -0.0079147300000000 ] - [ 0.0000000000000000, 0.0039200600000000, -0.0224316600000000 ] - [ 0.0000000000000000, -0.0064146800000000, -0.0068344500000000 ] - [ 0.0000000000000000, -0.0028415800000000, -0.0062185700000000 ] - [ 0.0000000000000000, -0.0047567700000000, -0.0068188900000000 ] - [ 0.0000000000000000, -0.0057587400000000, -0.0177245700000000 ] - [ 0.0000000000000000, -0.0064249700000000, -0.0070992300000000 ] - [ 0.0000000000000000, -0.0038485000000000, 0.0020955800000000 ] - [ 0.0000000000000000, -0.0065465200000000, -0.0060538000000000 ] - [ 0.0000000000000000, -0.0028465600000000, -0.0065110000000000 ] - [ 0.0000000000000000, -0.0048258000000000, -0.0066524500000000 ] - [ -0.0002436200000000, 0.0041238500000000, -0.0065591200000000 ] - [ 0.0002436200000000, 0.0041238500000000, -0.0065591200000000 ] - [ -0.0002112500000000, 0.0076631500000000, -0.0070031800000000 ] - [ 0.0002112500000000, 0.0076631500000000, -0.0070031800000000 ] - [ 0.0010641100000000, 0.0069963200000000, -0.0059280300000000 ] - [ -0.0010641100000000, 0.0069963200000000, -0.0059280300000000 ] - [ -0.0150277200000000, 0.0072244600000000, -0.0003452000000000 ] - [ 0.0150277200000000, 0.0072244600000000, -0.0003452000000000 ] - [ -0.0009142900000000, 0.0081424800000000, -0.0064787100000000 ] - [ 0.0009142900000000, 0.0081424800000000, -0.0064787100000000 ] - [ 0.0037495300000000, 0.0071104500000000, -0.0079200600000000 ] - [ -0.0037495300000000, 0.0071104500000000, -0.0079200600000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0021680100000000, 0.0123400800000000 ] - [ 0.0000000000000000, 0.0011459600000000, 0.0118190600000000 ] - [ 0.0000000000000000, 0.0034634600000000, 0.0119543600000000 ] - [ 0.0000000000000000, 0.0029203500000000, 0.0122187300000000 ] - [ 0.0000000000000000, 0.0027002500000000, 0.0136366100000000 ] - [ 0.0000000000000000, 0.0033632300000000, 0.0127433300000000 ] - [ 0.0000000000000000, -0.0458755300000000, -0.0185830500000000 ] - [ 0.0000000000000000, 0.0011157100000000, 0.0122294100000000 ] - [ 0.0000000000000000, 0.0050524200000000, 0.0139893500000000 ] - [ 0.0000000000000000, 0.0029747400000000, 0.0123529400000000 ] - [ 0.0000000000000000, 0.0051048100000000, 0.0110086700000000 ] - [ 0.0000000000000000, 0.0028805100000000, 0.0120842900000000 ] - [ 0.0023797600000000, -0.0059537800000000, 0.0120743900000000 ] - [ -0.0023797600000000, -0.0059537800000000, 0.0120743900000000 ] - [ -0.0008307100000000, 0.0000524200000000, 0.0099416900000000 ] - [ 0.0008307100000000, 0.0000524200000000, 0.0099416900000000 ] - [ 0.0001434000000000, -0.0009853400000000, 0.0117457400000000 ] - [ -0.0001434000000000, -0.0009853400000000, 0.0117457400000000 ] - [ 0.0008892600000000, -0.0049591200000000, 0.0121784700000000 ] - [ -0.0008892600000000, -0.0049591200000000, 0.0121784700000000 ] - [ -0.0005731600000000, -0.0022289400000000, 0.0131105900000000 ] - [ 0.0005731600000000, -0.0022289400000000, 0.0131105900000000 ] - [ 0.0000453000000000, -0.0014515400000000, 0.0117231300000000 ] - [ -0.0000453000000000, -0.0014515400000000, 0.0117231300000000 ] - [ 0.0000000000000000, -0.2935390800000000, -0.0373877100000000 ] - [ 0.0000000000000000, -0.0072983600000000, 0.0023252100000000 ] - [ 0.0000000000000000, 0.0012434900000000, 0.0046499800000000 ] - [ 0.0000000000000000, -0.0040515900000000, 0.0034666000000000 ] - [ 0.0000000000000000, -0.0007553900000000, 0.0039905300000000 ] - [ 0.0000000000000000, -0.0040381100000000, 0.0032925100000000 ] - [ 0.0000000000000000, -0.0072900400000000, 0.0033576700000000 ] - [ 0.0000000000000000, -0.0060917800000000, 0.0029628300000000 ] - [ 0.0000000000000000, -0.0038581800000000, 0.0036646600000000 ] - [ 0.0000000000000000, -0.0042501900000000, 0.0033837900000000 ] - [ 0.0000000000000000, -0.0031901000000000, 0.0039262400000000 ] - [ 0.0000000000000000, -0.0040379700000000, 0.0035446200000000 ] - [ -0.0004093600000000, 0.0003316500000000, 0.0018006100000000 ] - [ 0.0004093600000000, 0.0003316500000000, 0.0018006100000000 ] - [ -0.0002832400000000, 0.0063120600000000, 0.0021047600000000 ] - [ 0.0002832400000000, 0.0063120600000000, 0.0021047600000000 ] - [ 0.0002888000000000, 0.0062900100000000, 0.0028606900000000 ] - [ -0.0002888000000000, 0.0062900100000000, 0.0028606900000000 ] - [ -0.0002469100000000, -0.0009565700000000, 0.0068097500000000 ] - [ 0.0002469100000000, -0.0009565700000000, 0.0068097500000000 ] - [ -0.0005916000000000, 0.0059319300000000, 0.0032487100000000 ] - [ 0.0005916000000000, 0.0059319300000000, 0.0032487100000000 ] - [ 0.0002765200000000, 0.0063346600000000, 0.0023894000000000 ] - [ -0.0002765200000000, 0.0063346600000000, 0.0023894000000000 ] - [ -0.0822641600000000, -0.0844694000000000, 0.0548562100000000 ] - [ -0.0112327000000000, -0.0085703700000000, 0.0120729400000000 ] - [ -0.0083054200000000, -0.0042939000000000, 0.0103380500000000 ] - [ -0.0100581100000000, -0.0069683700000000, 0.0109914600000000 ] - [ -0.0114877300000000, -0.0025456900000000, 0.0088884900000000 ] - [ -0.0098136700000000, -0.0071926500000000, 0.0108141800000000 ] - [ -0.0105414100000000, -0.0080563800000000, 0.0114323400000000 ] - [ -0.0103294500000000, -0.0080978600000000, 0.0113628600000000 ] - [ -0.0097629900000000, -0.0067347200000000, 0.0108503600000000 ] - [ -0.0100793700000000, -0.0070934100000000, 0.0109611100000000 ] - [ -0.0102709300000000, -0.0071622000000000, 0.0112204500000000 ] - [ -0.0099335000000000, -0.0073052600000000, 0.0111411000000000 ] - [ -0.0008169900000000, 0.0051535400000000, 0.0136950400000000 ] - [ 0.0132692900000000, 0.0070966100000000, 0.0110351500000000 ] - [ 0.0117295700000000, 0.0080758200000000, 0.0102211100000000 ] - [ 0.0087997200000000, 0.0070291700000000, 0.0104891400000000 ] - [ 0.0100515800000000, 0.0084023100000000, 0.0113778600000000 ] - [ 0.0104462500000000, 0.0083318600000000, 0.0113995600000000 ] - [ 0.0060523100000000, 0.0053951800000000, 0.0077089700000000 ] - [ 0.0116689300000000, 0.0064774600000000, 0.0108941200000000 ] - [ 0.0107974200000000, 0.0088321100000000, 0.0132445600000000 ] - [ 0.0088938000000000, 0.0074301200000000, 0.0112752200000000 ] - [ 0.0101102200000000, 0.0084672800000000, 0.0113250100000000 ] - [ 0.0103694200000000, 0.0082700200000000, 0.0113618400000000 ] - [ 0.0008169900000000, 0.0051535400000000, 0.0136950400000000 ] - [ -0.0132692900000000, 0.0070966100000000, 0.0110351500000000 ] - [ -0.0117295700000000, 0.0080758200000000, 0.0102211100000000 ] - [ -0.0087997200000000, 0.0070291700000000, 0.0104891400000000 ] - [ -0.0100515800000000, 0.0084023100000000, 0.0113778600000000 ] - [ -0.0104462500000000, 0.0083318600000000, 0.0113995600000000 ] - [ -0.0060523100000000, 0.0053951800000000, 0.0077089700000000 ] - [ -0.0116689300000000, 0.0064774600000000, 0.0108941200000000 ] - [ -0.0107974200000000, 0.0088321100000000, 0.0132445600000000 ] - [ -0.0088938000000000, 0.0074301200000000, 0.0112752200000000 ] - [ -0.0101102200000000, 0.0084672800000000, 0.0113250100000000 ] - [ -0.0103694200000000, 0.0082700200000000, 0.0113618400000000 ] - [ 0.0822641600000000, -0.0844694000000000, 0.0548562100000000 ] - [ 0.0112327000000000, -0.0085703700000000, 0.0120729400000000 ] - [ 0.0083054200000000, -0.0042939000000000, 0.0103380500000000 ] - [ 0.0100581100000000, -0.0069683700000000, 0.0109914600000000 ] - [ 0.0114877300000000, -0.0025456900000000, 0.0088884900000000 ] - [ 0.0098136700000000, -0.0071926500000000, 0.0108141800000000 ] - [ 0.0105414100000000, -0.0080563800000000, 0.0114323400000000 ] - [ 0.0103294500000000, -0.0080978600000000, 0.0113628600000000 ] - [ 0.0097629900000000, -0.0067347200000000, 0.0108503600000000 ] - [ 0.0100793700000000, -0.0070934100000000, 0.0109611100000000 ] - [ 0.0102709300000000, -0.0071622000000000, 0.0112204500000000 ] - [ 0.0099335000000000, -0.0073052600000000, 0.0111411000000000 ] - [ 0.0000000000000000, 0.5472479600000000, -0.0249987400000000 ] - [ 0.0000000000000000, 0.0297765200000000, -0.0323995600000000 ] - [ 0.0000000000000000, 0.0148221700000000, -0.0323207500000000 ] - [ 0.0000000000000000, 0.0235482100000000, -0.0309107800000000 ] - [ 0.0000000000000000, 0.0147492600000000, -0.0293331600000000 ] - [ 0.0000000000000000, 0.0235598900000000, -0.0303870000000000 ] - [ 0.0000000000000000, 0.0275019100000000, -0.0326820800000000 ] - [ 0.0000000000000000, 0.0269986300000000, -0.0309128100000000 ] - [ 0.0000000000000000, 0.0227094900000000, -0.0301829200000000 ] - [ 0.0000000000000000, 0.0238138200000000, -0.0307736200000000 ] - [ 0.0000000000000000, 0.0227141800000000, -0.0328367900000000 ] - [ 0.0000000000000000, 0.0238235300000000, -0.0314249500000000 ] - [ -0.0079022700000000, -0.0153834800000000, -0.0288186200000000 ] - [ 0.0079022700000000, -0.0153834800000000, -0.0288186200000000 ] - [ 0.0024556600000000, -0.0265071600000000, -0.0278792300000000 ] - [ -0.0024556600000000, -0.0265071600000000, -0.0278792300000000 ] - [ -0.0004199900000000, -0.0273685500000000, -0.0308900300000000 ] - [ 0.0004199900000000, -0.0273685500000000, -0.0308900300000000 ] - [ -0.0049617700000000, -0.0153547900000000, -0.0290133300000000 ] - [ 0.0049617700000000, -0.0153547900000000, -0.0290133300000000 ] - [ 0.0033632800000000, -0.0265072700000000, -0.0320853300000000 ] - [ -0.0033632800000000, -0.0265072700000000, -0.0320853300000000 ] - [ -0.0003157200000000, -0.0273711400000000, -0.0306968900000000 ] - [ 0.0003157200000000, -0.0273711400000000, -0.0306968900000000 ] - [ 0.0000000000000000, -0.0240495200000000, -0.0403739300000000 ] - [ 0.0000000000000000, -0.0059420500000000, -0.0055339000000000 ] - [ 0.0000000000000000, -0.0158477300000000, 0.0088017400000000 ] - [ 0.0000000000000000, -0.0055718100000000, -0.0066013900000000 ] - [ 0.0000000000000000, -0.0091259000000000, -0.0072255600000000 ] - [ 0.0000000000000000, -0.0072202600000000, -0.0066160100000000 ] - [ 0.0000000000000000, -0.0062614000000000, 0.0043763000000000 ] - [ 0.0000000000000000, -0.0055918900000000, -0.0063372400000000 ] - [ 0.0000000000000000, -0.0081274200000000, -0.0154688000000000 ] - [ 0.0000000000000000, -0.0054372600000000, -0.0073871700000000 ] - [ 0.0000000000000000, -0.0091196700000000, -0.0069172300000000 ] - [ 0.0000000000000000, -0.0071526500000000, -0.0067782000000000 ] - [ 0.0002413100000000, 0.0078445900000000, -0.0068748200000000 ] - [ -0.0002413100000000, 0.0078445900000000, -0.0068748200000000 ] - [ 0.0002063600000000, 0.0043144400000000, -0.0064362400000000 ] - [ -0.0002063600000000, 0.0043144400000000, -0.0064362400000000 ] - [ -0.0010678000000000, 0.0050310800000000, -0.0075055400000000 ] - [ 0.0010678000000000, 0.0050310800000000, -0.0075055400000000 ] - [ 0.0150435400000000, 0.0047105600000000, -0.0131315900000000 ] - [ -0.0150435400000000, 0.0047105600000000, -0.0131315900000000 ] - [ 0.0008964900000000, 0.0038369300000000, -0.0069596800000000 ] - [ -0.0008964900000000, 0.0038369300000000, -0.0069596800000000 ] - [ -0.0037608500000000, 0.0048967900000000, -0.0055268700000000 ] - [ 0.0037608500000000, 0.0048967900000000, -0.0055268700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0008609400000000, 0.0043644200000000 ] - [ 0.0000000000000000, 0.0021340300000000, 0.0113070200000000 ] - [ 0.0000000000000000, 0.0021565300000000, 0.0110562800000000 ] - [ 0.0000000000000000, 0.0022696700000000, 0.0116157200000000 ] - [ 0.0000000000000000, 0.0019679000000000, 0.0112774300000000 ] - [ 0.0000000000000000, 0.0022275500000000, 0.0117438900000000 ] - [ 0.0000000000000000, 0.0280715300000000, 0.3125570600000000 ] - [ 0.0000000000000000, 0.0028874700000000, 0.0139538600000000 ] - [ 0.0000000000000000, 0.0026206800000000, 0.0139577300000000 ] - [ 0.0000000000000000, 0.0022509500000000, 0.0126721500000000 ] - [ 0.0000000000000000, 0.0025603500000000, 0.0130439400000000 ] - [ 0.0000000000000000, 0.0027369600000000, 0.0126329200000000 ] - [ -0.0012043300000000, -0.0044707500000000, 0.0112114900000000 ] - [ 0.0012043300000000, -0.0044707500000000, 0.0112114900000000 ] - [ -0.0010849600000000, 0.0017466700000000, 0.0090871000000000 ] - [ 0.0010849600000000, 0.0017466700000000, 0.0090871000000000 ] - [ -0.0000035000000000, -0.0023540800000000, 0.0121448600000000 ] - [ 0.0000035000000000, -0.0023540800000000, 0.0121448600000000 ] - [ 0.0006738500000000, -0.0030207100000000, 0.0116584400000000 ] - [ -0.0006738500000000, -0.0030207100000000, 0.0116584400000000 ] - [ 0.0005650000000000, -0.0029230700000000, 0.0111661200000000 ] - [ -0.0005650000000000, -0.0029230700000000, 0.0111661200000000 ] - [ 0.0000213700000000, -0.0023469500000000, 0.0119396400000000 ] - [ -0.0000213700000000, -0.0023469500000000, 0.0119396400000000 ] - [ 0.0000000000000000, 0.0441478700000000, 0.0547321000000000 ] - [ 0.0000000000000000, -0.0049864200000000, 0.0038326600000000 ] - [ 0.0000000000000000, -0.0034475300000000, 0.0061741200000000 ] - [ 0.0000000000000000, -0.0044608500000000, 0.0038456400000000 ] - [ 0.0000000000000000, -0.0046588400000000, 0.0036701600000000 ] - [ 0.0000000000000000, -0.0048204500000000, 0.0034182700000000 ] - [ 0.0000000000000000, -0.0064061100000000, -0.0019782700000000 ] - [ 0.0000000000000000, -0.0050351300000000, 0.0025755500000000 ] - [ 0.0000000000000000, -0.0061015600000000, 0.0033866700000000 ] - [ 0.0000000000000000, -0.0053490400000000, 0.0023443200000000 ] - [ 0.0000000000000000, -0.0047326700000000, 0.0028934800000000 ] - [ 0.0000000000000000, -0.0048821400000000, 0.0030040500000000 ] - [ -0.0005796500000000, 0.0047617200000000, 0.0013333000000000 ] - [ 0.0005796500000000, 0.0047617200000000, 0.0013333000000000 ] - [ -0.0000590100000000, 0.0062375600000000, 0.0017664500000000 ] - [ 0.0000590100000000, 0.0062375600000000, 0.0017664500000000 ] - [ 0.0000037700000000, 0.0046452600000000, 0.0030852300000000 ] - [ -0.0000037700000000, 0.0046452600000000, 0.0030852300000000 ] - [ 0.0020164000000000, 0.0020314300000000, 0.0064132700000000 ] - [ -0.0020164000000000, 0.0020314300000000, 0.0064132700000000 ] - [ 0.0007529000000000, 0.0027134600000000, 0.0028874200000000 ] - [ -0.0007529000000000, 0.0027134600000000, 0.0028874200000000 ] - [ 0.0000487400000000, 0.0050518000000000, 0.0030841700000000 ] - [ -0.0000487400000000, 0.0050518000000000, 0.0030841700000000 ] - [ -0.0753606500000000, -0.0489044400000000, 0.0923852300000000 ] - [ -0.0106299300000000, -0.0078135000000000, 0.0126058400000000 ] - [ -0.0098701600000000, -0.0068987000000000, 0.0111991800000000 ] - [ -0.0101539600000000, -0.0073944500000000, 0.0113015500000000 ] - [ -0.0101517800000000, -0.0077270900000000, 0.0110077000000000 ] - [ -0.0102337000000000, -0.0076414500000000, 0.0113343400000000 ] - [ -0.0109365200000000, -0.0061321600000000, 0.0050213500000000 ] - [ -0.0100618300000000, -0.0073426400000000, 0.0106049600000000 ] - [ -0.0103124400000000, -0.0079626100000000, 0.0109112400000000 ] - [ -0.0101236000000000, -0.0076168100000000, 0.0109148700000000 ] - [ -0.0102415800000000, -0.0070982300000000, 0.0105402300000000 ] - [ -0.0100230100000000, -0.0074160600000000, 0.0108839500000000 ] - [ 0.0096622900000000, 0.0066714500000000, 0.0105634300000000 ] - [ 0.0093009000000000, 0.0069286700000000, 0.0104310000000000 ] - [ 0.0109045800000000, 0.0078489800000000, 0.0100824800000000 ] - [ 0.0092093900000000, 0.0073427500000000, 0.0103968600000000 ] - [ 0.0099177000000000, 0.0074881400000000, 0.0110799800000000 ] - [ 0.0099708700000000, 0.0075004800000000, 0.0111068000000000 ] - [ 0.0052143500000000, 0.0093541400000000, 0.0107127600000000 ] - [ 0.0119395400000000, 0.0077942400000000, 0.0113038700000000 ] - [ 0.0002984000000000, 0.0050076700000000, 0.0122282400000000 ] - [ 0.0133908700000000, 0.0080937400000000, 0.0112120800000000 ] - [ 0.0101042700000000, 0.0074658800000000, 0.0111502100000000 ] - [ 0.0101783100000000, 0.0074673900000000, 0.0111606700000000 ] - [ -0.0096622900000000, 0.0066714500000000, 0.0105634300000000 ] - [ -0.0093009000000000, 0.0069286700000000, 0.0104310000000000 ] - [ -0.0109045800000000, 0.0078489800000000, 0.0100824800000000 ] - [ -0.0092093900000000, 0.0073427500000000, 0.0103968600000000 ] - [ -0.0099177000000000, 0.0074881400000000, 0.0110799800000000 ] - [ -0.0099708700000000, 0.0075004800000000, 0.0111068000000000 ] - [ -0.0052143500000000, 0.0093541400000000, 0.0107127600000000 ] - [ -0.0119395400000000, 0.0077942400000000, 0.0113038700000000 ] - [ -0.0002984000000000, 0.0050076700000000, 0.0122282400000000 ] - [ -0.0133908700000000, 0.0080937400000000, 0.0112120800000000 ] - [ -0.0101042700000000, 0.0074658800000000, 0.0111502100000000 ] - [ -0.0101783100000000, 0.0074673900000000, 0.0111606700000000 ] - [ 0.0753606500000000, -0.0489044400000000, 0.0923852300000000 ] - [ 0.0106299300000000, -0.0078135000000000, 0.0126058400000000 ] - [ 0.0098701600000000, -0.0068987000000000, 0.0111991800000000 ] - [ 0.0101539600000000, -0.0073944500000000, 0.0113015500000000 ] - [ 0.0101517800000000, -0.0077270900000000, 0.0110077000000000 ] - [ 0.0102337000000000, -0.0076414500000000, 0.0113343400000000 ] - [ 0.0109365200000000, -0.0061321600000000, 0.0050213500000000 ] - [ 0.0100618300000000, -0.0073426400000000, 0.0106049600000000 ] - [ 0.0103124400000000, -0.0079626100000000, 0.0109112400000000 ] - [ 0.0101236000000000, -0.0076168100000000, 0.0109148700000000 ] - [ 0.0102415800000000, -0.0070982300000000, 0.0105402300000000 ] - [ 0.0100230100000000, -0.0074160600000000, 0.0108839500000000 ] - [ 0.0000000000000000, 0.0201319200000000, -0.5683102000000000 ] - [ 0.0000000000000000, 0.0264490100000000, -0.0341304800000000 ] - [ 0.0000000000000000, 0.0233706600000000, -0.0322640300000000 ] - [ 0.0000000000000000, 0.0244181500000000, -0.0316889000000000 ] - [ 0.0000000000000000, 0.0263782000000000, -0.0322673700000000 ] - [ 0.0000000000000000, 0.0249479800000000, -0.0316917600000000 ] - [ 0.0000000000000000, 0.0267094200000000, -0.0161287900000000 ] - [ 0.0000000000000000, 0.0249692300000000, -0.0295702400000000 ] - [ 0.0000000000000000, 0.0268747800000000, -0.0294096700000000 ] - [ 0.0000000000000000, 0.0254559900000000, -0.0302064000000000 ] - [ 0.0000000000000000, 0.0242085100000000, -0.0294067600000000 ] - [ 0.0000000000000000, 0.0248108300000000, -0.0302061000000000 ] - [ 0.0024717000000000, -0.0230697500000000, -0.0275305500000000 ] - [ -0.0024717000000000, -0.0230697500000000, -0.0275305500000000 ] - [ 0.0011982100000000, -0.0261165500000000, -0.0266090500000000 ] - [ -0.0011982100000000, -0.0261165500000000, -0.0266090500000000 ] - [ -0.0000368700000000, -0.0247547400000000, -0.0307158400000000 ] - [ 0.0000368700000000, -0.0247547400000000, -0.0307158400000000 ] - [ -0.0072042800000000, -0.0228382400000000, -0.0275277200000000 ] - [ 0.0072042800000000, -0.0228382400000000, -0.0275277200000000 ] - [ -0.0047492000000000, -0.0219130400000000, -0.0266324000000000 ] - [ 0.0047492000000000, -0.0219130400000000, -0.0266324000000000 ] - [ -0.0000159100000000, -0.0249456200000000, -0.0307175900000000 ] - [ 0.0000159100000000, -0.0249456200000000, -0.0307175900000000 ] - [ 0.0000000000000000, 0.0026912200000000, -0.0016118700000000 ] - [ 0.0000000000000000, -0.0056347100000000, -0.0068235600000000 ] - [ 0.0000000000000000, -0.0184741400000000, 0.0042040000000000 ] - [ 0.0000000000000000, -0.0061937100000000, -0.0066428100000000 ] - [ 0.0000000000000000, -0.0060445800000000, -0.0066657600000000 ] - [ 0.0000000000000000, -0.0059734300000000, -0.0067295900000000 ] - [ 0.0000000000000000, -0.0206065500000000, -0.0016934500000000 ] - [ 0.0000000000000000, -0.0062757400000000, -0.0062571600000000 ] - [ 0.0000000000000000, 0.0229739700000000, 0.0071664200000000 ] - [ 0.0000000000000000, -0.0067588900000000, -0.0059959800000000 ] - [ 0.0000000000000000, -0.0060603900000000, -0.0067464100000000 ] - [ 0.0000000000000000, -0.0059757800000000, -0.0066047000000000 ] - [ -0.0014770800000000, 0.0059948300000000, -0.0040324100000000 ] - [ 0.0014770800000000, 0.0059948300000000, -0.0040324100000000 ] - [ -0.0001273900000000, 0.0058964000000000, -0.0055698800000000 ] - [ 0.0001273900000000, 0.0058964000000000, -0.0055698800000000 ] - [ -0.0002587700000000, 0.0061411500000000, -0.0058153800000000 ] - [ 0.0002587700000000, 0.0061411500000000, -0.0058153800000000 ] - [ 0.0105262100000000, 0.0032359500000000, -0.0187508900000000 ] - [ -0.0105262100000000, 0.0032359500000000, -0.0187508900000000 ] - [ 0.0000860600000000, 0.0057880500000000, -0.0080020300000000 ] - [ -0.0000860600000000, 0.0057880500000000, -0.0080020300000000 ] - [ -0.0000935000000000, 0.0062920000000000, -0.0082123800000000 ] - [ 0.0000935000000000, 0.0062920000000000, -0.0082123800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0039278600000000, 0.0199289100000000 ] - [ 0.0000000000000000, 0.0026463900000000, 0.0128745300000000 ] - [ 0.0000000000000000, 0.0025670500000000, 0.0131356400000000 ] - [ 0.0000000000000000, 0.0024595400000000, 0.0125760200000000 ] - [ 0.0000000000000000, 0.0028976100000000, 0.0129072300000000 ] - [ 0.0000000000000000, 0.0026359100000000, 0.0124443200000000 ] - [ 0.0000000000000000, -0.0206290300000000, -0.2683992800000000 ] - [ 0.0000000000000000, 0.0018819000000000, 0.0102228700000000 ] - [ 0.0000000000000000, 0.0021132100000000, 0.0102294800000000 ] - [ 0.0000000000000000, 0.0024787900000000, 0.0115142200000000 ] - [ 0.0000000000000000, 0.0022954400000000, 0.0111489500000000 ] - [ 0.0000000000000000, 0.0021270300000000, 0.0115569200000000 ] - [ 0.0012073300000000, -0.0003959400000000, 0.0129662200000000 ] - [ -0.0012073300000000, -0.0003959400000000, 0.0129662200000000 ] - [ 0.0010820500000000, -0.0064433600000000, 0.0150772500000000 ] - [ -0.0010820500000000, -0.0064433600000000, 0.0150772500000000 ] - [ 0.0000039300000000, -0.0024242200000000, 0.0120344700000000 ] - [ -0.0000039300000000, -0.0024242200000000, 0.0120344700000000 ] - [ -0.0006677400000000, -0.0018442400000000, 0.0125307100000000 ] - [ 0.0006677400000000, -0.0018442400000000, 0.0125307100000000 ] - [ -0.0005643400000000, -0.0018064200000000, 0.0130332600000000 ] - [ 0.0005643400000000, -0.0018064200000000, 0.0130332600000000 ] - [ -0.0000205900000000, -0.0024307000000000, 0.0122413600000000 ] - [ 0.0000205900000000, -0.0024307000000000, 0.0122413600000000 ] - [ 0.0000000000000000, -0.0532982900000000, -0.0476323800000000 ] - [ 0.0000000000000000, -0.0045326800000000, 0.0025095200000000 ] - [ 0.0000000000000000, -0.0062034800000000, 0.0001612700000000 ] - [ 0.0000000000000000, -0.0051512800000000, 0.0024946100000000 ] - [ 0.0000000000000000, -0.0049248000000000, 0.0026694900000000 ] - [ 0.0000000000000000, -0.0047660300000000, 0.0029212300000000 ] - [ 0.0000000000000000, -0.0030952400000000, 0.0083643200000000 ] - [ 0.0000000000000000, -0.0044780100000000, 0.0037698300000000 ] - [ 0.0000000000000000, -0.0034885300000000, 0.0029667500000000 ] - [ 0.0000000000000000, -0.0042563800000000, 0.0040094800000000 ] - [ 0.0000000000000000, -0.0048479000000000, 0.0034464300000000 ] - [ 0.0000000000000000, -0.0047032700000000, 0.0033348900000000 ] - [ 0.0005941500000000, 0.0048283800000000, 0.0050009600000000 ] - [ -0.0005941500000000, 0.0048283800000000, 0.0050009600000000 ] - [ 0.0000632100000000, 0.0033756200000000, 0.0045659200000000 ] - [ -0.0000632100000000, 0.0033756200000000, 0.0045659200000000 ] - [ -0.0000028300000000, 0.0048689500000000, 0.0032588700000000 ] - [ 0.0000028300000000, 0.0048689500000000, 0.0032588700000000 ] - [ -0.0019929100000000, 0.0075513900000000, -0.0000580500000000 ] - [ 0.0019929100000000, 0.0075513900000000, -0.0000580500000000 ] - [ -0.0007542200000000, 0.0069153300000000, 0.0034625900000000 ] - [ 0.0007542200000000, 0.0069153300000000, 0.0034625900000000 ] - [ -0.0000480900000000, 0.0044634800000000, 0.0032616600000000 ] - [ 0.0000480900000000, 0.0044634800000000, 0.0032616600000000 ] - [ 0.0577676500000000, 0.0353191300000000, -0.0704503500000000 ] - [ -0.0094657400000000, -0.0071107700000000, 0.0096069300000000 ] - [ -0.0102175700000000, -0.0081356600000000, 0.0109975100000000 ] - [ -0.0099363100000000, -0.0076421300000000, 0.0108959900000000 ] - [ -0.0099422600000000, -0.0072140000000000, 0.0111744700000000 ] - [ -0.0098633600000000, -0.0072973200000000, 0.0108513200000000 ] - [ -0.0091396100000000, -0.0088084100000000, 0.0172309900000000 ] - [ -0.0100138600000000, -0.0075777600000000, 0.0116068600000000 ] - [ -0.0097803600000000, -0.0070753700000000, 0.0112883900000000 ] - [ -0.0099668000000000, -0.0074191900000000, 0.0112831900000000 ] - [ -0.0098608800000000, -0.0078333900000000, 0.0116403500000000 ] - [ -0.0100737100000000, -0.0075219800000000, 0.0113014700000000 ] - [ 0.0104202700000000, 0.0082696500000000, 0.0116174000000000 ] - [ 0.0108050300000000, 0.0080131100000000, 0.0117522000000000 ] - [ 0.0091660700000000, 0.0071753400000000, 0.0121057800000000 ] - [ 0.0108899900000000, 0.0076932100000000, 0.0117967200000000 ] - [ 0.0101588500000000, 0.0074307900000000, 0.0111301500000000 ] - [ 0.0101090000000000, 0.0074188400000000, 0.0111037400000000 ] - [ 0.0148614300000000, 0.0056054800000000, 0.0114561800000000 ] - [ 0.0081700000000000, 0.0071475700000000, 0.0108825300000000 ] - [ 0.0197834200000000, 0.0100012200000000, 0.0099435500000000 ] - [ 0.0066706400000000, 0.0069378000000000, 0.0109951100000000 ] - [ 0.0099732000000000, 0.0074542600000000, 0.0110608600000000 ] - [ 0.0099023000000000, 0.0074537600000000, 0.0110507800000000 ] - [ -0.0104202700000000, 0.0082696500000000, 0.0116174000000000 ] - [ -0.0108050300000000, 0.0080131100000000, 0.0117522000000000 ] - [ -0.0091660700000000, 0.0071753400000000, 0.0121057800000000 ] - [ -0.0108899900000000, 0.0076932100000000, 0.0117967200000000 ] - [ -0.0101588500000000, 0.0074307900000000, 0.0111301500000000 ] - [ -0.0101090000000000, 0.0074188400000000, 0.0111037400000000 ] - [ -0.0148614300000000, 0.0056054800000000, 0.0114561800000000 ] - [ -0.0081700000000000, 0.0071475700000000, 0.0108825300000000 ] - [ -0.0197834200000000, 0.0100012200000000, 0.0099435500000000 ] - [ -0.0066706400000000, 0.0069378000000000, 0.0109951100000000 ] - [ -0.0099732000000000, 0.0074542600000000, 0.0110608600000000 ] - [ -0.0099023000000000, 0.0074537600000000, 0.0110507800000000 ] - [ -0.0577676500000000, 0.0353191300000000, -0.0704503500000000 ] - [ 0.0094657400000000, -0.0071107700000000, 0.0096069300000000 ] - [ 0.0102175700000000, -0.0081356600000000, 0.0109975100000000 ] - [ 0.0099363100000000, -0.0076421300000000, 0.0108959900000000 ] - [ 0.0099422600000000, -0.0072140000000000, 0.0111744700000000 ] - [ 0.0098633600000000, -0.0072973200000000, 0.0108513200000000 ] - [ 0.0091396100000000, -0.0088084100000000, 0.0172309900000000 ] - [ 0.0100138600000000, -0.0075777600000000, 0.0116068600000000 ] - [ 0.0097803600000000, -0.0070753700000000, 0.0112883900000000 ] - [ 0.0099668000000000, -0.0074191900000000, 0.0112831900000000 ] - [ 0.0098608800000000, -0.0078333900000000, 0.0116403500000000 ] - [ 0.0100737100000000, -0.0075219800000000, 0.0113014700000000 ] - [ 0.0000000000000000, 0.0235996100000000, 0.4866158000000000 ] - [ 0.0000000000000000, 0.0231631000000000, -0.0273660000000000 ] - [ 0.0000000000000000, 0.0262058400000000, -0.0292121400000000 ] - [ 0.0000000000000000, 0.0251325300000000, -0.0297941500000000 ] - [ 0.0000000000000000, 0.0231867900000000, -0.0292155900000000 ] - [ 0.0000000000000000, 0.0246125900000000, -0.0297969700000000 ] - [ 0.0000000000000000, 0.0228772600000000, -0.0454853400000000 ] - [ 0.0000000000000000, 0.0246311700000000, -0.0319195600000000 ] - [ 0.0000000000000000, 0.0226705800000000, -0.0320784100000000 ] - [ 0.0000000000000000, 0.0240859100000000, -0.0312806600000000 ] - [ 0.0000000000000000, 0.0253361100000000, -0.0320755400000000 ] - [ 0.0000000000000000, 0.0247479300000000, -0.0312802300000000 ] - [ -0.0025087100000000, -0.0265052200000000, -0.0339373900000000 ] - [ 0.0025087100000000, -0.0265052200000000, -0.0339373900000000 ] - [ -0.0012240500000000, -0.0234210000000000, -0.0348374100000000 ] - [ 0.0012240500000000, -0.0234210000000000, -0.0348374100000000 ] - [ 0.0000345200000000, -0.0248458200000000, -0.0307713500000000 ] - [ -0.0000345200000000, -0.0248458200000000, -0.0307713500000000 ] - [ 0.0071416700000000, -0.0267283800000000, -0.0339345600000000 ] - [ -0.0071416700000000, -0.0267283800000000, -0.0339345600000000 ] - [ 0.0047167100000000, -0.0276222700000000, -0.0348607300000000 ] - [ -0.0047167100000000, -0.0276222700000000, -0.0348607300000000 ] - [ 0.0000137300000000, -0.0246582800000000, -0.0307729300000000 ] - [ -0.0000137300000000, -0.0246582800000000, -0.0307729300000000 ] - [ 0.0000000000000000, -0.0148048900000000, -0.0118526000000000 ] - [ 0.0000000000000000, -0.0063829400000000, -0.0066091300000000 ] - [ 0.0000000000000000, 0.0066985500000000, -0.0177010200000000 ] - [ 0.0000000000000000, -0.0057811100000000, -0.0067929000000000 ] - [ 0.0000000000000000, -0.0059405000000000, -0.0067679700000000 ] - [ 0.0000000000000000, -0.0060118300000000, -0.0067044900000000 ] - [ 0.0000000000000000, 0.0085137800000000, -0.0117283700000000 ] - [ 0.0000000000000000, -0.0057433800000000, -0.0071780900000000 ] - [ 0.0000000000000000, -0.0348433500000000, -0.0205054800000000 ] - [ 0.0000000000000000, -0.0052057500000000, -0.0074610200000000 ] - [ 0.0000000000000000, -0.0059263500000000, -0.0066917700000000 ] - [ 0.0000000000000000, -0.0060100500000000, -0.0068304300000000 ] - [ 0.0014599500000000, 0.0059945300000000, -0.0094047200000000 ] - [ -0.0014599500000000, 0.0059945300000000, -0.0094047200000000 ] - [ 0.0001249900000000, 0.0060745700000000, -0.0078732100000000 ] - [ -0.0001249900000000, 0.0060745700000000, -0.0078732100000000 ] - [ 0.0002516500000000, 0.0058704200000000, -0.0076228100000000 ] - [ -0.0002516500000000, 0.0058704200000000, -0.0076228100000000 ] - [ -0.0104910700000000, 0.0087648800000000, 0.0052670500000000 ] - [ 0.0104910700000000, 0.0087648800000000, 0.0052670500000000 ] - [ -0.0000866900000000, 0.0061792700000000, -0.0054385600000000 ] - [ 0.0000866900000000, 0.0061792700000000, -0.0054385600000000 ] - [ 0.0000901300000000, 0.0057211300000000, -0.0052322800000000 ] - [ -0.0000901300000000, 0.0057211300000000, -0.0052322800000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023696100000000, 0.0024180900000000, 0.0120672700000000 ] - [ -0.0009042700000000, 0.0023894000000000, 0.0120922300000000 ] - [ 0.0002080400000000, 0.0023632700000000, 0.0120944200000000 ] - [ -0.0002229700000000, 0.0023626000000000, 0.0120939700000000 ] - [ 0.0012609500000000, 0.0023957200000000, 0.0120395200000000 ] - [ -0.0009245900000000, 0.0024329200000000, 0.0120964000000000 ] - [ 0.0003994000000000, 0.0024027600000000, 0.0120977400000000 ] - [ -0.0004355100000000, 0.0023896800000000, 0.0120885100000000 ] - [ 0.0001460700000000, 0.0023637100000000, 0.0120928800000000 ] - [ -0.0001526600000000, 0.0023623500000000, 0.0120930000000000 ] - [ 0.0024128200000000, 0.0024330600000000, 0.0120914500000000 ] - [ -0.0005690000000000, 0.0024310200000000, 0.0120917700000000 ] - [ -0.0039806000000000, -0.0010198500000000, 0.0170564300000000 ] - [ -0.0040182400000000, -0.0038585800000000, 0.0071054800000000 ] - [ 0.0000005800000000, -0.0021950500000000, 0.0122265900000000 ] - [ 0.0000036000000000, -0.0025308800000000, 0.0119590400000000 ] - [ -0.0000614300000000, -0.0034741000000000, 0.0127264200000000 ] - [ -0.0000591500000000, -0.0013019100000000, 0.0114541600000000 ] - [ -0.0001490600000000, -0.0020702400000000, 0.0106272000000000 ] - [ -0.0001460300000000, -0.0027899500000000, 0.0135699700000000 ] - [ -0.0000008200000000, -0.0023765400000000, 0.0120322800000000 ] - [ 0.0000015500000000, -0.0023486700000000, 0.0121554900000000 ] - [ -0.0000128700000000, -0.0028034900000000, 0.0120779700000000 ] - [ -0.0000098200000000, -0.0019767500000000, 0.0121031000000000 ] - [ -0.0020868600000000, -0.0047862500000000, 0.0031037800000000 ] - [ -0.0011526900000000, -0.0047571200000000, 0.0031712400000000 ] - [ 0.0001849900000000, -0.0048045100000000, 0.0031713900000000 ] - [ -0.0001924300000000, -0.0048068000000000, 0.0031715900000000 ] - [ 0.0023143500000000, -0.0047921200000000, 0.0031674800000000 ] - [ -0.0005634900000000, -0.0047915600000000, 0.0031688600000000 ] - [ 0.0020640500000000, -0.0047461500000000, 0.0031564500000000 ] - [ -0.0008199800000000, -0.0047551500000000, 0.0031751800000000 ] - [ 0.0001695600000000, -0.0048055600000000, 0.0031713300000000 ] - [ -0.0001690500000000, -0.0048066400000000, 0.0031722800000000 ] - [ 0.0004168200000000, -0.0048111500000000, 0.0031409000000000 ] - [ -0.0003929200000000, -0.0047918800000000, 0.0031705600000000 ] - [ -0.0030500100000000, 0.0109615300000000, 0.0031176800000000 ] - [ -0.0030719600000000, -0.0014004500000000, 0.0032276600000000 ] - [ 0.0000130300000000, 0.0050381900000000, 0.0030903700000000 ] - [ 0.0000152700000000, 0.0045722400000000, 0.0032545700000000 ] - [ -0.0004360600000000, 0.0021742100000000, 0.0035775200000000 ] - [ -0.0004374600000000, 0.0073596300000000, 0.0027707800000000 ] - [ -0.0000114200000000, 0.0054181900000000, 0.0027416700000000 ] - [ -0.0000070300000000, 0.0041686800000000, 0.0035975800000000 ] - [ -0.0000039600000000, 0.0049079600000000, 0.0030764500000000 ] - [ -0.0000022900000000, 0.0047048200000000, 0.0032675500000000 ] - [ -0.0000692000000000, 0.0041442000000000, 0.0033123800000000 ] - [ -0.0000665400000000, 0.0053677000000000, 0.0030328800000000 ] - [ -0.0079698800000000, -0.0075476900000000, 0.0103385300000000 ] - [ -0.0117851100000000, -0.0075570300000000, 0.0114173600000000 ] - [ -0.0094980800000000, -0.0073893900000000, 0.0110195600000000 ] - [ -0.0105939100000000, -0.0076808200000000, 0.0111772600000000 ] - [ -0.0023592300000000, -0.0070730500000000, 0.0108603700000000 ] - [ -0.0121499300000000, -0.0082914200000000, 0.0116563400000000 ] - [ -0.0081465000000000, -0.0071353200000000, 0.0110277700000000 ] - [ -0.0117165800000000, -0.0077032700000000, 0.0110338700000000 ] - [ -0.0095943600000000, -0.0073809700000000, 0.0110781600000000 ] - [ -0.0105021200000000, -0.0076563400000000, 0.0111155100000000 ] - [ -0.0070520400000000, -0.0060432600000000, 0.0114833900000000 ] - [ -0.0116782300000000, -0.0080666600000000, 0.0110992500000000 ] - [ 0.0357580000000000, 0.0056552800000000, -0.0107184900000000 ] - [ -0.0001455700000000, 0.0062975900000000, 0.0110362700000000 ] - [ 0.0103668600000000, 0.0070548600000000, 0.0109930700000000 ] - [ 0.0097259800000000, 0.0080961300000000, 0.0112106700000000 ] - [ 0.0108065000000000, 0.0083079300000000, 0.0113820700000000 ] - [ 0.0091782200000000, 0.0064179800000000, 0.0107587000000000 ] - [ 0.0107057400000000, 0.0074882900000000, 0.0109725200000000 ] - [ 0.0092211500000000, 0.0072558800000000, 0.0110005900000000 ] - [ 0.0102009400000000, 0.0073993100000000, 0.0110418500000000 ] - [ 0.0098754200000000, 0.0076266500000000, 0.0111429600000000 ] - [ 0.0103584200000000, 0.0077097100000000, 0.0111517400000000 ] - [ 0.0097132700000000, 0.0072178000000000, 0.0110362100000000 ] - [ 0.0138160700000000, 0.0094861000000000, 0.0319200500000000 ] - [ -0.0202537000000000, 0.0086416800000000, 0.0111592700000000 ] - [ -0.0097376100000000, 0.0079849400000000, 0.0112063000000000 ] - [ -0.0103586200000000, 0.0069354900000000, 0.0109870300000000 ] - [ -0.0092892500000000, 0.0066140600000000, 0.0108316100000000 ] - [ -0.0108962400000000, 0.0085054200000000, 0.0114527500000000 ] - [ -0.0094110400000000, 0.0074534400000000, 0.0112114500000000 ] - [ -0.0108681500000000, 0.0076813900000000, 0.0111813700000000 ] - [ -0.0098977800000000, 0.0076418600000000, 0.0111579600000000 ] - [ -0.0102097300000000, 0.0074092300000000, 0.0110549800000000 ] - [ -0.0097311000000000, 0.0072098900000000, 0.0110564300000000 ] - [ -0.0103596600000000, 0.0076990300000000, 0.0111734900000000 ] - [ 0.0120813300000000, -0.0073450000000000, 0.0118663600000000 ] - [ 0.0082920700000000, -0.0073642400000000, 0.0107914700000000 ] - [ 0.0105912800000000, -0.0076481900000000, 0.0111795700000000 ] - [ 0.0094977300000000, -0.0073575100000000, 0.0110213700000000 ] - [ 0.0176984800000000, -0.0079351900000000, 0.0113987500000000 ] - [ 0.0079436900000000, -0.0066431900000000, 0.0105260800000000 ] - [ 0.0119101000000000, -0.0077729200000000, 0.0111717200000000 ] - [ 0.0083608200000000, -0.0072158300000000, 0.0111794300000000 ] - [ 0.0104937500000000, -0.0076601200000000, 0.0111227400000000 ] - [ 0.0095897700000000, -0.0073823100000000, 0.0110840700000000 ] - [ 0.0130174700000000, -0.0088802900000000, 0.0106793700000000 ] - [ 0.0084195400000000, -0.0068714000000000, 0.0110889100000000 ] - [ -0.0042694500000000, 0.0247111200000000, -0.0307653800000000 ] - [ 0.0027724400000000, 0.0248017600000000, -0.0307409000000000 ] - [ -0.0006808400000000, 0.0247738900000000, -0.0307414900000000 ] - [ 0.0007405700000000, 0.0247765600000000, -0.0307415900000000 ] - [ -0.0168519800000000, 0.0247792300000000, -0.0307401200000000 ] - [ 0.0032326600000000, 0.0247766000000000, -0.0307376900000000 ] - [ -0.0047052800000000, 0.0247890300000000, -0.0307146000000000 ] - [ 0.0026991200000000, 0.0247987900000000, -0.0307472000000000 ] - [ -0.0006956200000000, 0.0247763600000000, -0.0307430700000000 ] - [ 0.0006969000000000, 0.0247765400000000, -0.0307432600000000 ] - [ -0.0054503700000000, 0.0247781300000000, -0.0306301100000000 ] - [ 0.0027880400000000, 0.0247782000000000, -0.0307465900000000 ] - [ 0.0298636200000000, -0.0397496600000000, -0.0412602900000000 ] - [ 0.0302096400000000, -0.0096768600000000, -0.0202426100000000 ] - [ -0.0000619700000000, -0.0256783600000000, -0.0308287800000000 ] - [ -0.0000753400000000, -0.0238681100000000, -0.0306559200000000 ] - [ 0.0000579600000000, -0.0210563000000000, -0.0306542000000000 ] - [ 0.0000397400000000, -0.0285678000000000, -0.0308375500000000 ] - [ 0.0000756800000000, -0.0250236500000000, -0.0292777800000000 ] - [ 0.0000553200000000, -0.0245394600000000, -0.0322146700000000 ] - [ 0.0000249200000000, -0.0249842300000000, -0.0306165900000000 ] - [ 0.0000153600000000, -0.0245673600000000, -0.0308691300000000 ] - [ 0.0000544100000000, -0.0237336600000000, -0.0304896500000000 ] - [ 0.0000433100000000, -0.0258665300000000, -0.0309999000000000 ] - [ -0.0877196800000000, -0.0061384800000000, -0.0056575100000000 ] - [ 0.0074296500000000, -0.0060119400000000, -0.0067171500000000 ] - [ -0.0011798000000000, -0.0059980300000000, -0.0067217800000000 ] - [ 0.0011480300000000, -0.0059843900000000, -0.0067213600000000 ] - [ -0.0011798300000000, -0.0059813900000000, -0.0067226200000000 ] - [ 0.0011481100000000, -0.0059913900000000, -0.0067181200000000 ] - [ -0.0019936900000000, -0.0060044800000000, -0.0067150500000000 ] - [ 0.0017145300000000, -0.0060088400000000, -0.0067206200000000 ] - [ -0.0005969100000000, -0.0059938400000000, -0.0067203200000000 ] - [ 0.0005749000000000, -0.0059850500000000, -0.0067218800000000 ] - [ -0.0005968100000000, -0.0059858800000000, -0.0067066400000000 ] - [ 0.0005748200000000, -0.0059907700000000, -0.0067184500000000 ] - [ 0.0001634900000000, 0.0039602600000000, -0.0038660200000000 ] - [ 0.0001504600000000, 0.0080326900000000, -0.0095904900000000 ] - [ -0.0000017000000000, 0.0063031500000000, -0.0063658500000000 ] - [ -0.0000073300000000, 0.0056720300000000, -0.0070778700000000 ] - [ 0.0020679800000000, 0.0101440400000000, -0.0021196700000000 ] - [ 0.0020669000000000, 0.0018504000000000, -0.0113546300000000 ] - [ 0.0001655700000000, 0.0044223400000000, -0.0074288500000000 ] - [ 0.0001482400000000, 0.0075679800000000, -0.0060007200000000 ] - [ -0.0000027800000000, 0.0064171100000000, -0.0067792600000000 ] - [ -0.0000062000000000, 0.0055571600000000, -0.0066607000000000 ] - [ 0.0020657000000000, 0.0086433200000000, -0.0090610200000000 ] - [ 0.0020690000000000, 0.0033507500000000, -0.0043538500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0006630400000000, 0.0182394400000000 ] - [ 0.0000000000000000, 0.0024003500000000, 0.0123173500000000 ] - [ 0.0000000000000000, 0.0011764200000000, 0.0118241300000000 ] - [ 0.0000000000000000, 0.0016930000000000, 0.0118747000000000 ] - [ 0.0000000000000000, 0.0175609300000000, 0.0066373500000000 ] - [ 0.0000000000000000, 0.0033178600000000, 0.0126816100000000 ] - [ 0.0000000000000000, -0.0004428000000000, 0.0087421600000000 ] - [ 0.0000000000000000, 0.0024302500000000, 0.0118897400000000 ] - [ 0.0000000000000000, 0.0013419700000000, 0.0117272100000000 ] - [ 0.0000000000000000, 0.0017416300000000, 0.0118690500000000 ] - [ 0.0000000000000000, 0.0025792500000000, 0.0158607800000000 ] - [ 0.0000000000000000, 0.0028021300000000, 0.0122790700000000 ] - [ 0.0009063900000000, -0.0009728700000000, 0.0104581000000000 ] - [ -0.0009063900000000, -0.0009728700000000, 0.0104581000000000 ] - [ 0.0002680200000000, -0.0033684100000000, 0.0123822100000000 ] - [ -0.0002680200000000, -0.0033684100000000, 0.0123822100000000 ] - [ -0.0005446600000000, -0.0029384400000000, 0.0121354000000000 ] - [ 0.0005446600000000, -0.0029384400000000, 0.0121354000000000 ] - [ 0.0000103400000000, -0.0014672300000000, 0.0119947600000000 ] - [ -0.0000103400000000, -0.0014672300000000, 0.0119947600000000 ] - [ 0.0001735700000000, -0.0031390600000000, 0.0123463600000000 ] - [ -0.0001735700000000, -0.0031390600000000, 0.0123463600000000 ] - [ -0.0003985100000000, -0.0028396900000000, 0.0122485900000000 ] - [ 0.0003985100000000, -0.0028396900000000, 0.0122485900000000 ] - [ 0.0000000000000000, -0.0059584800000000, 0.0124964000000000 ] - [ 0.0000000000000000, -0.0047373600000000, 0.0027881000000000 ] - [ 0.0000000000000000, -0.0066798800000000, 0.0028005200000000 ] - [ 0.0000000000000000, -0.0056082500000000, 0.0028912400000000 ] - [ 0.0000000000000000, -0.0074209600000000, 0.0035012600000000 ] - [ 0.0000000000000000, -0.0044358600000000, 0.0033558100000000 ] - [ 0.0000000000000000, -0.0021411000000000, 0.0067111900000000 ] - [ 0.0000000000000000, -0.0044101000000000, 0.0035296500000000 ] - [ 0.0000000000000000, -0.0066783100000000, 0.0029065600000000 ] - [ 0.0000000000000000, -0.0055534600000000, 0.0029684600000000 ] - [ 0.0000000000000000, -0.0092975600000000, -0.0031759900000000 ] - [ 0.0000000000000000, -0.0043347000000000, 0.0034971000000000 ] - [ 0.0008973100000000, 0.0052014600000000, 0.0028977100000000 ] - [ -0.0008973100000000, 0.0052014600000000, 0.0028977100000000 ] - [ 0.0001172600000000, 0.0034064800000000, 0.0035200200000000 ] - [ -0.0001172600000000, 0.0034064800000000, 0.0035200200000000 ] - [ -0.0011819600000000, 0.0046937800000000, 0.0029710800000000 ] - [ 0.0011819600000000, 0.0046937800000000, 0.0029710800000000 ] - [ 0.0002331600000000, 0.0058922000000000, 0.0027569400000000 ] - [ -0.0002331600000000, 0.0058922000000000, 0.0027569400000000 ] - [ 0.0000725700000000, 0.0036969100000000, 0.0034481400000000 ] - [ -0.0000725700000000, 0.0036969100000000, 0.0034481400000000 ] - [ -0.0006236600000000, 0.0041795200000000, 0.0038088600000000 ] - [ 0.0006236600000000, 0.0041795200000000, 0.0038088600000000 ] - [ -0.0121987100000000, -0.0104566000000000, 0.0106096900000000 ] - [ -0.0099105200000000, -0.0074861900000000, 0.0109548300000000 ] - [ -0.0102179000000000, -0.0086385700000000, 0.0114393900000000 ] - [ -0.0102003700000000, -0.0079403700000000, 0.0112210700000000 ] - [ -0.0099239100000000, -0.0062011400000000, 0.0129250900000000 ] - [ -0.0101544000000000, -0.0070517400000000, 0.0110899600000000 ] - [ -0.0117261600000000, -0.0082265600000000, 0.0132986000000000 ] - [ -0.0099352200000000, -0.0074524500000000, 0.0111473600000000 ] - [ -0.0101415200000000, -0.0087215600000000, 0.0114931300000000 ] - [ -0.0101964000000000, -0.0079048400000000, 0.0112101400000000 ] - [ -0.0068227200000000, -0.0049849800000000, 0.0064931600000000 ] - [ -0.0102204500000000, -0.0071452500000000, 0.0111920500000000 ] - [ 0.0062565900000000, 0.0065708000000000, 0.0107843400000000 ] - [ 0.0131984800000000, 0.0082211100000000, 0.0111146400000000 ] - [ 0.0086677100000000, 0.0064034200000000, 0.0108557700000000 ] - [ 0.0105583400000000, 0.0071722900000000, 0.0110051400000000 ] - [ 0.0117377400000000, 0.0068568500000000, 0.0111187400000000 ] - [ 0.0088223000000000, 0.0068711100000000, 0.0108512400000000 ] - [ 0.0098205400000000, 0.0087233300000000, 0.0113370600000000 ] - [ 0.0103402000000000, 0.0080901200000000, 0.0113218200000000 ] - [ 0.0092018100000000, 0.0066829300000000, 0.0108141600000000 ] - [ 0.0103463600000000, 0.0072409300000000, 0.0109947300000000 ] - [ 0.0113338600000000, 0.0071605000000000, 0.0109318400000000 ] - [ 0.0090832500000000, 0.0069483300000000, 0.0109405700000000 ] - [ -0.0062565900000000, 0.0065708000000000, 0.0107843400000000 ] - [ -0.0131984800000000, 0.0082211100000000, 0.0111146400000000 ] - [ -0.0086677100000000, 0.0064034200000000, 0.0108557700000000 ] - [ -0.0105583400000000, 0.0071722900000000, 0.0110051400000000 ] - [ -0.0117377400000000, 0.0068568500000000, 0.0111187400000000 ] - [ -0.0088223000000000, 0.0068711100000000, 0.0108512400000000 ] - [ -0.0098205400000000, 0.0087233300000000, 0.0113370600000000 ] - [ -0.0103402000000000, 0.0080901200000000, 0.0113218200000000 ] - [ -0.0092018100000000, 0.0066829300000000, 0.0108141600000000 ] - [ -0.0103463600000000, 0.0072409300000000, 0.0109947300000000 ] - [ -0.0113338600000000, 0.0071605000000000, 0.0109318400000000 ] - [ -0.0090832500000000, 0.0069483300000000, 0.0109405700000000 ] - [ 0.0121987100000000, -0.0104566000000000, 0.0106096900000000 ] - [ 0.0099105200000000, -0.0074861900000000, 0.0109548300000000 ] - [ 0.0102179000000000, -0.0086385700000000, 0.0114393900000000 ] - [ 0.0102003700000000, -0.0079403700000000, 0.0112210700000000 ] - [ 0.0099239100000000, -0.0062011400000000, 0.0129250900000000 ] - [ 0.0101544000000000, -0.0070517400000000, 0.0110899600000000 ] - [ 0.0117261600000000, -0.0082265600000000, 0.0132986000000000 ] - [ 0.0099352200000000, -0.0074524500000000, 0.0111473600000000 ] - [ 0.0101415200000000, -0.0087215600000000, 0.0114931300000000 ] - [ 0.0101964000000000, -0.0079048400000000, 0.0112101400000000 ] - [ 0.0068227200000000, -0.0049849800000000, 0.0064931600000000 ] - [ 0.0102204500000000, -0.0071452500000000, 0.0111920500000000 ] - [ 0.0000000000000000, 0.0427810600000000, -0.0219319100000000 ] - [ 0.0000000000000000, 0.0247250900000000, -0.0303721300000000 ] - [ 0.0000000000000000, 0.0279189200000000, -0.0307938700000000 ] - [ 0.0000000000000000, 0.0260059600000000, -0.0307231800000000 ] - [ 0.0000000000000000, 0.0346208400000000, -0.0432517700000000 ] - [ 0.0000000000000000, 0.0243651700000000, -0.0309518000000000 ] - [ 0.0000000000000000, 0.0250362100000000, -0.0454129100000000 ] - [ 0.0000000000000000, 0.0243755600000000, -0.0310070100000000 ] - [ 0.0000000000000000, 0.0279133400000000, -0.0308100900000000 ] - [ 0.0000000000000000, 0.0259372500000000, -0.0307249600000000 ] - [ 0.0000000000000000, 0.0268859500000000, -0.0019380900000000 ] - [ 0.0000000000000000, 0.0242306300000000, -0.0315113000000000 ] - [ -0.0074660000000000, -0.0235744900000000, -0.0280310900000000 ] - [ 0.0074660000000000, -0.0235744900000000, -0.0280310900000000 ] - [ -0.0011680700000000, -0.0226244500000000, -0.0305454600000000 ] - [ 0.0011680700000000, -0.0226244500000000, -0.0305454600000000 ] - [ 0.0027525800000000, -0.0236905200000000, -0.0310275200000000 ] - [ -0.0027525800000000, -0.0236905200000000, -0.0310275200000000 ] - [ -0.0001399100000000, -0.0266437900000000, -0.0307400500000000 ] - [ 0.0001399100000000, -0.0266437900000000, -0.0307400500000000 ] - [ -0.0008024800000000, -0.0231022500000000, -0.0306543700000000 ] - [ 0.0008024800000000, -0.0231022500000000, -0.0306543700000000 ] - [ 0.0016860000000000, -0.0238128300000000, -0.0308808600000000 ] - [ -0.0016860000000000, -0.0238128300000000, -0.0308808600000000 ] - [ 0.0000000000000000, -0.0432379800000000, -0.0245200200000000 ] - [ 0.0000000000000000, -0.0075539700000000, -0.0058380300000000 ] - [ 0.0000000000000000, -0.0013033400000000, -0.0061886900000000 ] - [ 0.0000000000000000, -0.0054722100000000, -0.0064761200000000 ] - [ 0.0000000000000000, -0.0013327900000000, -0.0067958500000000 ] - [ 0.0000000000000000, -0.0054683400000000, -0.0070625900000000 ] - [ 0.0000000000000000, -0.0118761100000000, -0.0065464500000000 ] - [ 0.0000000000000000, -0.0069571700000000, -0.0067370200000000 ] - [ 0.0000000000000000, -0.0032597600000000, -0.0065818500000000 ] - [ 0.0000000000000000, -0.0054971500000000, -0.0065719000000000 ] - [ 0.0000000000000000, -0.0032658800000000, -0.0048466800000000 ] - [ 0.0000000000000000, -0.0054944600000000, -0.0070976400000000 ] - [ -0.0015813100000000, 0.0066922600000000, -0.0069376400000000 ] - [ 0.0015813100000000, 0.0066922600000000, -0.0069376400000000 ] - [ 0.0004276500000000, 0.0074292500000000, -0.0068168600000000 ] - [ -0.0004276500000000, 0.0074292500000000, -0.0068168600000000 ] - [ 0.0026384400000000, 0.0030464800000000, -0.0075850400000000 ] - [ -0.0026384400000000, 0.0030464800000000, -0.0075850400000000 ] - [ -0.0020426600000000, 0.0066934200000000, -0.0056591500000000 ] - [ 0.0020426600000000, 0.0066934200000000, -0.0056591500000000 ] - [ 0.0003137700000000, 0.0074295600000000, -0.0068317300000000 ] - [ -0.0003137700000000, 0.0074295600000000, -0.0068317300000000 ] - [ 0.0041390200000000, 0.0030388300000000, -0.0081634500000000 ] - [ -0.0041390200000000, 0.0030388300000000, -0.0081634500000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0042088100000000, 0.0059874200000000 ] - [ 0.0000000000000000, 0.0023894800000000, 0.0118612200000000 ] - [ 0.0000000000000000, 0.0035490700000000, 0.0123632800000000 ] - [ 0.0000000000000000, 0.0030335600000000, 0.0123130800000000 ] - [ 0.0000000000000000, -0.0136515200000000, 0.0171081300000000 ] - [ 0.0000000000000000, 0.0015279100000000, 0.0114945600000000 ] - [ 0.0000000000000000, 0.0052431000000000, 0.0154486200000000 ] - [ 0.0000000000000000, 0.0023576500000000, 0.0122978000000000 ] - [ 0.0000000000000000, 0.0033827700000000, 0.0124578700000000 ] - [ 0.0000000000000000, 0.0029849000000000, 0.0123189200000000 ] - [ 0.0000000000000000, 0.0022857900000000, 0.0083214800000000 ] - [ 0.0000000000000000, 0.0020561200000000, 0.0119105000000000 ] - [ -0.0009205600000000, -0.0038800400000000, 0.0137638300000000 ] - [ 0.0009205600000000, -0.0038800400000000, 0.0137638300000000 ] - [ -0.0002652700000000, -0.0013566700000000, 0.0118039400000000 ] - [ 0.0002652700000000, -0.0013566700000000, 0.0118039400000000 ] - [ 0.0005475500000000, -0.0018468800000000, 0.0120461700000000 ] - [ -0.0005475500000000, -0.0018468800000000, 0.0120461700000000 ] - [ -0.0000071200000000, -0.0033918000000000, 0.0121853700000000 ] - [ 0.0000071200000000, -0.0033918000000000, 0.0121853700000000 ] - [ -0.0001715600000000, -0.0015870100000000, 0.0118417300000000 ] - [ 0.0001715600000000, -0.0015870100000000, 0.0118417300000000 ] - [ 0.0004011300000000, -0.0019438800000000, 0.0119353500000000 ] - [ -0.0004011300000000, -0.0019438800000000, 0.0119353500000000 ] - [ 0.0000000000000000, -0.0035620400000000, -0.0059885300000000 ] - [ 0.0000000000000000, -0.0047589000000000, 0.0035707700000000 ] - [ 0.0000000000000000, -0.0029343600000000, 0.0035436100000000 ] - [ 0.0000000000000000, -0.0040022800000000, 0.0034526800000000 ] - [ 0.0000000000000000, -0.0021701500000000, 0.0028304700000000 ] - [ 0.0000000000000000, -0.0051593800000000, 0.0029816100000000 ] - [ 0.0000000000000000, -0.0073325800000000, -0.0003488900000000 ] - [ 0.0000000000000000, -0.0050950100000000, 0.0028118400000000 ] - [ 0.0000000000000000, -0.0029366200000000, 0.0034389400000000 ] - [ 0.0000000000000000, -0.0040574300000000, 0.0033754700000000 ] - [ 0.0000000000000000, -0.0002911600000000, 0.0095228500000000 ] - [ 0.0000000000000000, -0.0052613300000000, 0.0028350000000000 ] - [ -0.0009037500000000, 0.0044321800000000, 0.0034468200000000 ] - [ 0.0009037500000000, 0.0044321800000000, 0.0034468200000000 ] - [ -0.0001148300000000, 0.0062054500000000, 0.0028233400000000 ] - [ 0.0001148300000000, 0.0062054500000000, 0.0028233400000000 ] - [ 0.0011924400000000, 0.0048088200000000, 0.0033783700000000 ] - [ -0.0011924400000000, 0.0048088200000000, 0.0033783700000000 ] - [ -0.0002295900000000, 0.0037008000000000, 0.0035790800000000 ] - [ 0.0002295900000000, 0.0037008000000000, 0.0035790800000000 ] - [ -0.0000713100000000, 0.0059163900000000, 0.0028958000000000 ] - [ 0.0000713100000000, 0.0059163900000000, 0.0028958000000000 ] - [ 0.0006268600000000, 0.0053253700000000, 0.0025412300000000 ] - [ -0.0006268600000000, 0.0053253700000000, 0.0025412300000000 ] - [ -0.0078860700000000, -0.0044593400000000, 0.0115827200000000 ] - [ -0.0101660100000000, -0.0074259700000000, 0.0112544300000000 ] - [ -0.0098750500000000, -0.0064000900000000, 0.0107591800000000 ] - [ -0.0098895000000000, -0.0070981700000000, 0.0109777700000000 ] - [ -0.0101000800000000, -0.0088396300000000, 0.0093712600000000 ] - [ -0.0099445200000000, -0.0078930900000000, 0.0110988500000000 ] - [ -0.0083678300000000, -0.0066938800000000, 0.0089378600000000 ] - [ -0.0101409700000000, -0.0074613100000000, 0.0110592300000000 ] - [ -0.0099512700000000, -0.0063169500000000, 0.0107066900000000 ] - [ -0.0098933100000000, -0.0071338200000000, 0.0109889700000000 ] - [ -0.0132955000000000, -0.0099626100000000, 0.0157225900000000 ] - [ -0.0098756400000000, -0.0077967700000000, 0.0109911300000000 ] - [ 0.0138095100000000, 0.0084426500000000, 0.0114696800000000 ] - [ 0.0068356600000000, 0.0067085100000000, 0.0110804900000000 ] - [ 0.0114096900000000, 0.0086325000000000, 0.0113420300000000 ] - [ 0.0095402100000000, 0.0078721300000000, 0.0111955700000000 ] - [ 0.0083300000000000, 0.0080600700000000, 0.0110886700000000 ] - [ 0.0112610000000000, 0.0080448900000000, 0.0113584700000000 ] - [ 0.0102645000000000, 0.0062118000000000, 0.0108484800000000 ] - [ 0.0097621400000000, 0.0068500700000000, 0.0108644100000000 ] - [ 0.0108854700000000, 0.0083549100000000, 0.0113852000000000 ] - [ 0.0097485800000000, 0.0077997800000000, 0.0112052800000000 ] - [ 0.0087390100000000, 0.0077548100000000, 0.0112780000000000 ] - [ 0.0109994100000000, 0.0079685300000000, 0.0112699900000000 ] - [ -0.0138095100000000, 0.0084426500000000, 0.0114696800000000 ] - [ -0.0068356600000000, 0.0067085100000000, 0.0110804900000000 ] - [ -0.0114096900000000, 0.0086325000000000, 0.0113420300000000 ] - [ -0.0095402100000000, 0.0078721300000000, 0.0111955700000000 ] - [ -0.0083300000000000, 0.0080600700000000, 0.0110886700000000 ] - [ -0.0112610000000000, 0.0080448900000000, 0.0113584700000000 ] - [ -0.0102645000000000, 0.0062118000000000, 0.0108484800000000 ] - [ -0.0097621400000000, 0.0068500700000000, 0.0108644100000000 ] - [ -0.0108854700000000, 0.0083549100000000, 0.0113852000000000 ] - [ -0.0097485800000000, 0.0077997800000000, 0.0112052800000000 ] - [ -0.0087390100000000, 0.0077548100000000, 0.0112780000000000 ] - [ -0.0109994100000000, 0.0079685300000000, 0.0112699900000000 ] - [ 0.0078860700000000, -0.0044593400000000, 0.0115827200000000 ] - [ 0.0101660100000000, -0.0074259700000000, 0.0112544300000000 ] - [ 0.0098750500000000, -0.0064000900000000, 0.0107591800000000 ] - [ 0.0098895000000000, -0.0070981700000000, 0.0109777700000000 ] - [ 0.0101000800000000, -0.0088396300000000, 0.0093712600000000 ] - [ 0.0099445200000000, -0.0078930900000000, 0.0110988500000000 ] - [ 0.0083678300000000, -0.0066938800000000, 0.0089378600000000 ] - [ 0.0101409700000000, -0.0074613100000000, 0.0110592300000000 ] - [ 0.0099512700000000, -0.0063169500000000, 0.0107066900000000 ] - [ 0.0098933100000000, -0.0071338200000000, 0.0109889700000000 ] - [ 0.0132955000000000, -0.0099626100000000, 0.0157225900000000 ] - [ 0.0098756400000000, -0.0077967700000000, 0.0109911300000000 ] - [ 0.0000000000000000, 0.0068324000000000, -0.0394287800000000 ] - [ 0.0000000000000000, 0.0248490100000000, -0.0311204100000000 ] - [ 0.0000000000000000, 0.0216339100000000, -0.0306899200000000 ] - [ 0.0000000000000000, 0.0235434300000000, -0.0307616200000000 ] - [ 0.0000000000000000, 0.0148520500000000, -0.0180784400000000 ] - [ 0.0000000000000000, 0.0252084100000000, -0.0305393400000000 ] - [ 0.0000000000000000, 0.0245328700000000, -0.0162900000000000 ] - [ 0.0000000000000000, 0.0252087000000000, -0.0304741200000000 ] - [ 0.0000000000000000, 0.0216395000000000, -0.0306761500000000 ] - [ 0.0000000000000000, 0.0236119800000000, -0.0307595300000000 ] - [ 0.0000000000000000, 0.0226057000000000, -0.0597582100000000 ] - [ 0.0000000000000000, 0.0253401900000000, -0.0299588000000000 ] - [ 0.0075705800000000, -0.0260880600000000, -0.0335599300000000 ] - [ -0.0075705800000000, -0.0260880600000000, -0.0335599300000000 ] - [ 0.0011539800000000, -0.0269310300000000, -0.0309369100000000 ] - [ -0.0011539800000000, -0.0269310300000000, -0.0309369100000000 ] - [ -0.0027719400000000, -0.0259035000000000, -0.0304564800000000 ] - [ 0.0027719400000000, -0.0259035000000000, -0.0304564800000000 ] - [ 0.0001244100000000, -0.0229227600000000, -0.0307398200000000 ] - [ -0.0001244100000000, -0.0229227600000000, -0.0307398200000000 ] - [ 0.0007956700000000, -0.0264516600000000, -0.0308324200000000 ] - [ -0.0007956700000000, -0.0264516600000000, -0.0308324200000000 ] - [ -0.0016946700000000, -0.0257773100000000, -0.0306100700000000 ] - [ 0.0016946700000000, -0.0257773100000000, -0.0306100700000000 ] - [ 0.0000000000000000, 0.0323671000000000, 0.0110697800000000 ] - [ 0.0000000000000000, -0.0044501700000000, -0.0076192200000000 ] - [ 0.0000000000000000, -0.0106385000000000, -0.0072415900000000 ] - [ 0.0000000000000000, -0.0065119300000000, -0.0069646600000000 ] - [ 0.0000000000000000, -0.0106671700000000, -0.0066357800000000 ] - [ 0.0000000000000000, -0.0065079500000000, -0.0063707500000000 ] - [ 0.0000000000000000, -0.0001317200000000, -0.0069077300000000 ] - [ 0.0000000000000000, -0.0050587100000000, -0.0067011000000000 ] - [ 0.0000000000000000, -0.0087145400000000, -0.0068674000000000 ] - [ 0.0000000000000000, -0.0064854300000000, -0.0068688500000000 ] - [ 0.0000000000000000, -0.0087206100000000, -0.0085955900000000 ] - [ 0.0000000000000000, -0.0064829000000000, -0.0063342900000000 ] - [ 0.0015644000000000, 0.0052768200000000, -0.0064834100000000 ] - [ -0.0015644000000000, 0.0052768200000000, -0.0064834100000000 ] - [ -0.0004322400000000, 0.0045457300000000, -0.0066253000000000 ] - [ 0.0004322400000000, 0.0045457300000000, -0.0066253000000000 ] - [ -0.0026537300000000, 0.0090012900000000, -0.0058339000000000 ] - [ 0.0026537300000000, 0.0090012900000000, -0.0058339000000000 ] - [ 0.0020297600000000, 0.0052779700000000, -0.0077775600000000 ] - [ -0.0020297600000000, 0.0052779700000000, -0.0077775600000000 ] - [ -0.0003172500000000, 0.0045460200000000, -0.0066095100000000 ] - [ 0.0003172500000000, 0.0045460200000000, -0.0066095100000000 ] - [ -0.0041543100000000, 0.0089936800000000, -0.0052807900000000 ] - [ 0.0041543100000000, 0.0089936800000000, -0.0052807900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0055025800000000, 0.0123352000000000 ] - [ 0.0000000000000000, 0.0028125600000000, 0.0119016200000000 ] - [ 0.0000000000000000, 0.0022632400000000, 0.0122265100000000 ] - [ 0.0000000000000000, 0.0023354100000000, 0.0120369900000000 ] - [ 0.0000000000000000, 0.0092274400000000, 0.0126857100000000 ] - [ 0.0000000000000000, 0.0016312100000000, 0.0115307600000000 ] - [ 0.0000000000000000, -0.0045418400000000, 0.0052637200000000 ] - [ 0.0000000000000000, 0.0027568500000000, 0.0123812900000000 ] - [ 0.0000000000000000, 0.0021447200000000, 0.0117828700000000 ] - [ 0.0000000000000000, 0.0023790000000000, 0.0121260000000000 ] - [ 0.0000000000000000, 0.0034201100000000, 0.0083927800000000 ] - [ 0.0000000000000000, 0.0024532100000000, 0.0121038400000000 ] - [ 0.0004147300000000, -0.0024877600000000, 0.0166031400000000 ] - [ -0.0004147300000000, -0.0024877600000000, 0.0166031400000000 ] - [ 0.0002610500000000, -0.0028331000000000, 0.0128640200000000 ] - [ -0.0002610500000000, -0.0028331000000000, 0.0128640200000000 ] - [ 0.0003443900000000, -0.0023814300000000, 0.0131049800000000 ] - [ -0.0003443900000000, -0.0023814300000000, 0.0131049800000000 ] - [ -0.0000083300000000, -0.0019316200000000, 0.0101149900000000 ] - [ 0.0000083300000000, -0.0019316200000000, 0.0101149900000000 ] - [ 0.0000698700000000, -0.0021214300000000, 0.0114859200000000 ] - [ -0.0000698700000000, -0.0021214300000000, 0.0114859200000000 ] - [ -0.0000741500000000, -0.0023626500000000, 0.0114352600000000 ] - [ 0.0000741500000000, -0.0023626500000000, 0.0114352600000000 ] - [ 0.0000000000000000, -0.0066974900000000, 0.0316161300000000 ] - [ 0.0000000000000000, -0.0039952600000000, 0.0039581900000000 ] - [ 0.0000000000000000, -0.0054808300000000, 0.0030268200000000 ] - [ 0.0000000000000000, -0.0047215400000000, 0.0032526400000000 ] - [ 0.0000000000000000, -0.0006973200000000, 0.0035844900000000 ] - [ 0.0000000000000000, -0.0048131400000000, 0.0032156100000000 ] - [ 0.0000000000000000, -0.0011666400000000, -0.0000484800000000 ] - [ 0.0000000000000000, -0.0046296000000000, 0.0027249700000000 ] - [ 0.0000000000000000, -0.0046949300000000, 0.0032123200000000 ] - [ 0.0000000000000000, -0.0048351200000000, 0.0030308000000000 ] - [ 0.0000000000000000, -0.0075267700000000, 0.0007949500000000 ] - [ 0.0000000000000000, -0.0052953700000000, 0.0028012800000000 ] - [ -0.0011527200000000, 0.0070901900000000, 0.0044938600000000 ] - [ 0.0011527200000000, 0.0070901900000000, 0.0044938600000000 ] - [ 0.0000152500000000, 0.0047609500000000, 0.0034988700000000 ] - [ -0.0000152500000000, 0.0047609500000000, 0.0034988700000000 ] - [ -0.0000846100000000, 0.0036180500000000, 0.0043503500000000 ] - [ 0.0000846100000000, 0.0036180500000000, 0.0043503500000000 ] - [ 0.0004807400000000, 0.0053066400000000, 0.0021369400000000 ] - [ -0.0004807400000000, 0.0053066400000000, 0.0021369400000000 ] - [ 0.0001669400000000, 0.0046838700000000, 0.0029237100000000 ] - [ -0.0001669400000000, 0.0046838700000000, 0.0029237100000000 ] - [ 0.0002368300000000, 0.0054461600000000, 0.0020252500000000 ] - [ -0.0002368300000000, 0.0054461600000000, 0.0020252500000000 ] - [ -0.0140999200000000, -0.0135858300000000, 0.0127474400000000 ] - [ -0.0098808200000000, -0.0072281900000000, 0.0110589400000000 ] - [ -0.0103348100000000, -0.0075379800000000, 0.0111758600000000 ] - [ -0.0099862700000000, -0.0075317200000000, 0.0111249000000000 ] - [ -0.0094434200000000, -0.0061587200000000, 0.0109884200000000 ] - [ -0.0098899900000000, -0.0076250200000000, 0.0111530600000000 ] - [ -0.0087742700000000, -0.0052718900000000, 0.0096248100000000 ] - [ -0.0099825400000000, -0.0072548900000000, 0.0109112800000000 ] - [ -0.0099428600000000, -0.0076930100000000, 0.0111067000000000 ] - [ -0.0099899200000000, -0.0075434500000000, 0.0110828300000000 ] - [ -0.0091762600000000, -0.0080193300000000, 0.0086599400000000 ] - [ -0.0100752600000000, -0.0075915500000000, 0.0109427600000000 ] - [ 0.0034951200000000, 0.0099723900000000, 0.0189837900000000 ] - [ 0.0055429000000000, 0.0074137900000000, 0.0121190900000000 ] - [ 0.0100718600000000, 0.0077431200000000, 0.0115965100000000 ] - [ 0.0101814100000000, 0.0078635300000000, 0.0113566500000000 ] - [ 0.0100289900000000, 0.0070132600000000, 0.0114640100000000 ] - [ 0.0100068500000000, 0.0071765700000000, 0.0112058400000000 ] - [ 0.0089754500000000, 0.0071117400000000, 0.0094164600000000 ] - [ 0.0106846200000000, 0.0074689400000000, 0.0107889100000000 ] - [ 0.0089604500000000, 0.0069624100000000, 0.0105589400000000 ] - [ 0.0106108300000000, 0.0075938600000000, 0.0109595600000000 ] - [ 0.0098834800000000, 0.0075853400000000, 0.0107271900000000 ] - [ 0.0102891900000000, 0.0075582500000000, 0.0110192700000000 ] - [ -0.0034951200000000, 0.0099723900000000, 0.0189837900000000 ] - [ -0.0055429000000000, 0.0074137900000000, 0.0121190900000000 ] - [ -0.0100718600000000, 0.0077431200000000, 0.0115965100000000 ] - [ -0.0101814100000000, 0.0078635300000000, 0.0113566500000000 ] - [ -0.0100289900000000, 0.0070132600000000, 0.0114640100000000 ] - [ -0.0100068500000000, 0.0071765700000000, 0.0112058400000000 ] - [ -0.0089754500000000, 0.0071117400000000, 0.0094164600000000 ] - [ -0.0106846200000000, 0.0074689400000000, 0.0107889100000000 ] - [ -0.0089604500000000, 0.0069624100000000, 0.0105589400000000 ] - [ -0.0106108300000000, 0.0075938600000000, 0.0109595600000000 ] - [ -0.0098834800000000, 0.0075853400000000, 0.0107271900000000 ] - [ -0.0102891900000000, 0.0075582500000000, 0.0110192700000000 ] - [ 0.0140999200000000, -0.0135858300000000, 0.0127474400000000 ] - [ 0.0098808200000000, -0.0072281900000000, 0.0110589400000000 ] - [ 0.0103348100000000, -0.0075379800000000, 0.0111758600000000 ] - [ 0.0099862700000000, -0.0075317200000000, 0.0111249000000000 ] - [ 0.0094434200000000, -0.0061587200000000, 0.0109884200000000 ] - [ 0.0098899900000000, -0.0076250200000000, 0.0111530600000000 ] - [ 0.0087742700000000, -0.0052718900000000, 0.0096248100000000 ] - [ 0.0099825400000000, -0.0072548900000000, 0.0109112800000000 ] - [ 0.0099428600000000, -0.0076930100000000, 0.0111067000000000 ] - [ 0.0099899200000000, -0.0075434500000000, 0.0110828300000000 ] - [ 0.0091762600000000, -0.0080193300000000, 0.0086599400000000 ] - [ 0.0100752600000000, -0.0075915500000000, 0.0109427600000000 ] - [ 0.0000000000000000, 0.0584487900000000, -0.0255704000000000 ] - [ 0.0000000000000000, 0.0236012000000000, -0.0308517200000000 ] - [ 0.0000000000000000, 0.0252818100000000, -0.0306919400000000 ] - [ 0.0000000000000000, 0.0246746300000000, -0.0307544500000000 ] - [ 0.0000000000000000, 0.0090771400000000, -0.0197443400000000 ] - [ 0.0000000000000000, 0.0246665700000000, -0.0306685000000000 ] - [ 0.0000000000000000, 0.0138390000000000, -0.0257063900000000 ] - [ 0.0000000000000000, 0.0244139300000000, -0.0302812800000000 ] - [ 0.0000000000000000, 0.0249798300000000, -0.0307702000000000 ] - [ 0.0000000000000000, 0.0248389000000000, -0.0306283800000000 ] - [ 0.0000000000000000, 0.0335059800000000, -0.0169185600000000 ] - [ 0.0000000000000000, 0.0254497900000000, -0.0300044300000000 ] - [ 0.0080771300000000, -0.0311916100000000, -0.0427812800000000 ] - [ -0.0080771300000000, -0.0311916100000000, -0.0427812800000000 ] - [ -0.0003321200000000, -0.0250165900000000, -0.0320266700000000 ] - [ 0.0003321200000000, -0.0250165900000000, -0.0320266700000000 ] - [ -0.0001796100000000, -0.0235981600000000, -0.0322349900000000 ] - [ 0.0001796100000000, -0.0235981600000000, -0.0322349900000000 ] - [ -0.0016690500000000, -0.0249385100000000, -0.0280538300000000 ] - [ 0.0016690500000000, -0.0249385100000000, -0.0280538300000000 ] - [ -0.0009192500000000, -0.0244918000000000, -0.0295916400000000 ] - [ 0.0009192500000000, -0.0244918000000000, -0.0295916400000000 ] - [ -0.0002904600000000, -0.0255858400000000, -0.0298411500000000 ] - [ 0.0002904600000000, -0.0255858400000000, -0.0298411500000000 ] - [ 0.0000000000000000, -0.0239608700000000, -0.0643563100000000 ] - [ 0.0000000000000000, -0.0051153300000000, -0.0083653100000000 ] - [ 0.0000000000000000, -0.0060666900000000, -0.0094913300000000 ] - [ 0.0000000000000000, -0.0063349100000000, -0.0069518100000000 ] - [ 0.0000000000000000, -0.0054632200000000, -0.0094841200000000 ] - [ 0.0000000000000000, -0.0057445600000000, -0.0069484600000000 ] - [ 0.0000000000000000, -0.0058333300000000, 0.0008956000000000 ] - [ 0.0000000000000000, -0.0060273000000000, -0.0061822400000000 ] - [ 0.0000000000000000, -0.0041127000000000, -0.0046829700000000 ] - [ 0.0000000000000000, -0.0063704100000000, -0.0063643800000000 ] - [ 0.0000000000000000, -0.0058474000000000, -0.0046790300000000 ] - [ 0.0000000000000000, -0.0058408100000000, -0.0063603900000000 ] - [ 0.0007106900000000, 0.0049294000000000, -0.0061381700000000 ] - [ -0.0007106900000000, 0.0049294000000000, -0.0061381700000000 ] - [ 0.0000587900000000, 0.0060996200000000, -0.0066936100000000 ] - [ -0.0000587900000000, 0.0060996200000000, -0.0066936100000000 ] - [ 0.0023470800000000, 0.0074545400000000, -0.0053960300000000 ] - [ -0.0023470800000000, 0.0074545400000000, -0.0053960300000000 ] - [ -0.0028690100000000, 0.0062177600000000, -0.0061420900000000 ] - [ 0.0028690100000000, 0.0062177600000000, -0.0061420900000000 ] - [ -0.0003566600000000, 0.0060845900000000, -0.0066940100000000 ] - [ 0.0003566600000000, 0.0060845900000000, -0.0066940100000000 ] - [ -0.0046255800000000, 0.0068817900000000, -0.0054048100000000 ] - [ 0.0046255800000000, 0.0068817900000000, -0.0054048100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006888300000000, 0.0117848500000000 ] - [ 0.0000000000000000, 0.0019736500000000, 0.0122774000000000 ] - [ 0.0000000000000000, 0.0024614900000000, 0.0119596900000000 ] - [ 0.0000000000000000, 0.0023898400000000, 0.0121499600000000 ] - [ 0.0000000000000000, -0.0045392000000000, 0.0114972900000000 ] - [ 0.0000000000000000, 0.0032207000000000, 0.0126490700000000 ] - [ 0.0000000000000000, 0.0093431000000000, 0.0189408400000000 ] - [ 0.0000000000000000, 0.0020279900000000, 0.0118036600000000 ] - [ 0.0000000000000000, 0.0025793600000000, 0.0124023800000000 ] - [ 0.0000000000000000, 0.0023466800000000, 0.0120617700000000 ] - [ 0.0000000000000000, 0.0014489700000000, 0.0157982200000000 ] - [ 0.0000000000000000, 0.0024077400000000, 0.0120854400000000 ] - [ -0.0004169500000000, -0.0023703000000000, 0.0076077600000000 ] - [ 0.0004169500000000, -0.0023703000000000, 0.0076077600000000 ] - [ -0.0002594200000000, -0.0018947700000000, 0.0113258200000000 ] - [ 0.0002594200000000, -0.0018947700000000, 0.0113258200000000 ] - [ -0.0003432500000000, -0.0024031900000000, 0.0110792900000000 ] - [ 0.0003432500000000, -0.0024031900000000, 0.0110792900000000 ] - [ 0.0000138700000000, -0.0029281000000000, 0.0140675000000000 ] - [ -0.0000138700000000, -0.0029281000000000, 0.0140675000000000 ] - [ -0.0000688100000000, -0.0026057700000000, 0.0127020700000000 ] - [ 0.0000688100000000, -0.0026057700000000, 0.0127020700000000 ] - [ 0.0000751400000000, -0.0024195800000000, 0.0127472100000000 ] - [ -0.0000751400000000, -0.0024195800000000, 0.0127472100000000 ] - [ 0.0000000000000000, -0.0019787300000000, -0.0236505500000000 ] - [ 0.0000000000000000, -0.0055058300000000, 0.0023963200000000 ] - [ 0.0000000000000000, -0.0041355700000000, 0.0033160900000000 ] - [ 0.0000000000000000, -0.0048905300000000, 0.0030914400000000 ] - [ 0.0000000000000000, -0.0088862200000000, 0.0027503100000000 ] - [ 0.0000000000000000, -0.0047770700000000, 0.0031230300000000 ] - [ 0.0000000000000000, -0.0083887300000000, 0.0063495000000000 ] - [ 0.0000000000000000, -0.0048772400000000, 0.0036177100000000 ] - [ 0.0000000000000000, -0.0049183200000000, 0.0031308900000000 ] - [ 0.0000000000000000, -0.0047774600000000, 0.0033127500000000 ] - [ 0.0000000000000000, -0.0020623700000000, 0.0055310300000000 ] - [ 0.0000000000000000, -0.0042962700000000, 0.0035334200000000 ] - [ 0.0011446700000000, 0.0025210000000000, 0.0018500700000000 ] - [ -0.0011446700000000, 0.0025210000000000, 0.0018500700000000 ] - [ -0.0000147800000000, 0.0048496100000000, 0.0028464400000000 ] - [ 0.0000147800000000, 0.0048496100000000, 0.0028464400000000 ] - [ 0.0000861200000000, 0.0058869300000000, 0.0019984000000000 ] - [ -0.0000861200000000, 0.0058869300000000, 0.0019984000000000 ] - [ -0.0004774700000000, 0.0042832500000000, 0.0041986100000000 ] - [ 0.0004774700000000, 0.0042832500000000, 0.0041986100000000 ] - [ -0.0001664100000000, 0.0049279600000000, 0.0034207000000000 ] - [ 0.0001664100000000, 0.0049279600000000, 0.0034207000000000 ] - [ -0.0002353300000000, 0.0040616900000000, 0.0043242000000000 ] - [ 0.0002353300000000, 0.0040616900000000, 0.0043242000000000 ] - [ -0.0059898300000000, -0.0013590800000000, 0.0094602700000000 ] - [ -0.0101960500000000, -0.0076868700000000, 0.0111508800000000 ] - [ -0.0097576800000000, -0.0075022100000000, 0.0110242300000000 ] - [ -0.0101043900000000, -0.0075072300000000, 0.0110744900000000 ] - [ -0.0105665200000000, -0.0089134500000000, 0.0113206200000000 ] - [ -0.0102074900000000, -0.0073161100000000, 0.0110348100000000 ] - [ -0.0113115600000000, -0.0096675800000000, 0.0125787400000000 ] - [ -0.0100944300000000, -0.0076608800000000, 0.0112969400000000 ] - [ -0.0101487100000000, -0.0073465600000000, 0.0110930800000000 ] - [ -0.0101004800000000, -0.0074954500000000, 0.0111162400000000 ] - [ -0.0109293900000000, -0.0069060500000000, 0.0135262400000000 ] - [ -0.0100210900000000, -0.0073483200000000, 0.0112410300000000 ] - [ 0.0167727000000000, 0.0049556900000000, 0.0032621400000000 ] - [ 0.0145244300000000, 0.0075223700000000, 0.0100771800000000 ] - [ 0.0100184700000000, 0.0072958300000000, 0.0106035500000000 ] - [ 0.0099112300000000, 0.0071772200000000, 0.0108438100000000 ] - [ 0.0100476500000000, 0.0079020600000000, 0.0107453100000000 ] - [ 0.0100706500000000, 0.0077379300000000, 0.0110034300000000 ] - [ 0.0111074600000000, 0.0078252600000000, 0.0127648400000000 ] - [ 0.0094191000000000, 0.0074722800000000, 0.0113978200000000 ] - [ 0.0111306600000000, 0.0080751600000000, 0.0116391100000000 ] - [ 0.0094810600000000, 0.0074443200000000, 0.0112396200000000 ] - [ 0.0101938900000000, 0.0073314600000000, 0.0114824000000000 ] - [ 0.0097905200000000, 0.0073590000000000, 0.0111910700000000 ] - [ -0.0167727000000000, 0.0049556900000000, 0.0032621400000000 ] - [ -0.0145244300000000, 0.0075223700000000, 0.0100771800000000 ] - [ -0.0100184700000000, 0.0072958300000000, 0.0106035500000000 ] - [ -0.0099112300000000, 0.0071772200000000, 0.0108438100000000 ] - [ -0.0100476500000000, 0.0079020600000000, 0.0107453100000000 ] - [ -0.0100706500000000, 0.0077379300000000, 0.0110034300000000 ] - [ -0.0111074600000000, 0.0078252600000000, 0.0127648400000000 ] - [ -0.0094191000000000, 0.0074722800000000, 0.0113978200000000 ] - [ -0.0111306600000000, 0.0080751600000000, 0.0116391100000000 ] - [ -0.0094810600000000, 0.0074443200000000, 0.0112396200000000 ] - [ -0.0101938900000000, 0.0073314600000000, 0.0114824000000000 ] - [ -0.0097905200000000, 0.0073590000000000, 0.0111910700000000 ] - [ 0.0059898300000000, -0.0013590800000000, 0.0094602700000000 ] - [ 0.0101960500000000, -0.0076868700000000, 0.0111508800000000 ] - [ 0.0097576800000000, -0.0075022100000000, 0.0110242300000000 ] - [ 0.0101043900000000, -0.0075072300000000, 0.0110744900000000 ] - [ 0.0105665200000000, -0.0089134500000000, 0.0113206200000000 ] - [ 0.0102074900000000, -0.0073161100000000, 0.0110348100000000 ] - [ 0.0113115600000000, -0.0096675800000000, 0.0125787400000000 ] - [ 0.0100944300000000, -0.0076608800000000, 0.0112969400000000 ] - [ 0.0101487100000000, -0.0073465600000000, 0.0110930800000000 ] - [ 0.0101004800000000, -0.0074954500000000, 0.0111162400000000 ] - [ 0.0109293900000000, -0.0069060500000000, 0.0135262400000000 ] - [ 0.0100210900000000, -0.0073483200000000, 0.0112410300000000 ] - [ 0.0000000000000000, -0.0087191500000000, -0.0358130900000000 ] - [ 0.0000000000000000, 0.0259818400000000, -0.0306386100000000 ] - [ 0.0000000000000000, 0.0242744500000000, -0.0307931500000000 ] - [ 0.0000000000000000, 0.0248773300000000, -0.0307306200000000 ] - [ 0.0000000000000000, 0.0403115800000000, -0.0416502700000000 ] - [ 0.0000000000000000, 0.0248997800000000, -0.0308200400000000 ] - [ 0.0000000000000000, 0.0359415200000000, -0.0357426100000000 ] - [ 0.0000000000000000, 0.0251759000000000, -0.0312036300000000 ] - [ 0.0000000000000000, 0.0245737300000000, -0.0307141300000000 ] - [ 0.0000000000000000, 0.0247131400000000, -0.0308552700000000 ] - [ 0.0000000000000000, 0.0159407700000000, -0.0445929200000000 ] - [ 0.0000000000000000, 0.0241159800000000, -0.0314706400000000 ] - [ -0.0079823000000000, -0.0184055500000000, -0.0187634100000000 ] - [ 0.0079823000000000, -0.0184055500000000, -0.0187634100000000 ] - [ 0.0003285300000000, -0.0245358000000000, -0.0294629800000000 ] - [ -0.0003285300000000, -0.0245358000000000, -0.0294629800000000 ] - [ 0.0001767700000000, -0.0259915600000000, -0.0292549800000000 ] - [ -0.0001767700000000, -0.0259915600000000, -0.0292549800000000 ] - [ 0.0016481600000000, -0.0246227800000000, -0.0334268900000000 ] - [ -0.0016481600000000, -0.0246227800000000, -0.0334268900000000 ] - [ 0.0009164500000000, -0.0250585100000000, -0.0318945300000000 ] - [ -0.0009164500000000, -0.0250585100000000, -0.0318945300000000 ] - [ 0.0002877700000000, -0.0240080700000000, -0.0316481200000000 ] - [ -0.0002877700000000, -0.0240080700000000, -0.0316481200000000 ] - [ 0.0000000000000000, 0.0116378400000000, 0.0488674000000000 ] - [ 0.0000000000000000, -0.0068965500000000, -0.0050846400000000 ] - [ 0.0000000000000000, -0.0059064400000000, -0.0039597200000000 ] - [ 0.0000000000000000, -0.0056431500000000, -0.0064903100000000 ] - [ 0.0000000000000000, -0.0065159400000000, -0.0039526400000000 ] - [ 0.0000000000000000, -0.0062330400000000, -0.0064869600000000 ] - [ 0.0000000000000000, -0.0061948900000000, -0.0143569300000000 ] - [ 0.0000000000000000, -0.0059913700000000, -0.0072548400000000 ] - [ 0.0000000000000000, -0.0078614500000000, -0.0087581700000000 ] - [ 0.0000000000000000, -0.0056070500000000, -0.0070766900000000 ] - [ 0.0000000000000000, -0.0061330600000000, -0.0087541500000000 ] - [ 0.0000000000000000, -0.0061377000000000, -0.0070726800000000 ] - [ -0.0007174800000000, 0.0070476900000000, -0.0072876200000000 ] - [ 0.0007174800000000, 0.0070476900000000, -0.0072876200000000 ] - [ -0.0000598500000000, 0.0058774400000000, -0.0067475800000000 ] - [ 0.0000598500000000, 0.0058774400000000, -0.0067475800000000 ] - [ -0.0023599600000000, 0.0045718400000000, -0.0080273000000000 ] - [ 0.0023599600000000, 0.0045718400000000, -0.0080273000000000 ] - [ 0.0028553200000000, 0.0057634200000000, -0.0072917700000000 ] - [ -0.0028553200000000, 0.0057634200000000, -0.0072917700000000 ] - [ 0.0003553200000000, 0.0058929100000000, -0.0067480100000000 ] - [ -0.0003553200000000, 0.0058929100000000, -0.0067480100000000 ] - [ 0.0046092400000000, 0.0051308100000000, -0.0080363300000000 ] - [ -0.0046092400000000, 0.0051308100000000, -0.0080363300000000 ]