# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/11835a47-9729-4fec-84c2-04b81a4cc750/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 K2NaGaAs2 / Ibam (72) / materials id 9676](https://mdr.nims.go.jp/datasets/05db7000-25fe-4378-88ad-d1385c2ca2bf) ## 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: "Ibam" number: 72 Hall_symbol: "-I 2 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ -3.344946770000000, 7.403447885000000, 3.267576710000000 ] # a - [ 3.344946770000000, -7.403447885000000, 3.267576710000000 ] # b - [ 3.344946770000000, 7.403447885000000, -3.267576710000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: K # 3 coordinates: [ 0.326685330000000, 0.757473470000000, 0.084158800000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.826685330000000, 0.742526530000000, 0.569211860000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.173314670000000, 0.257473470000000, 0.430788140000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.673314670000000, 0.242526530000000, 0.915841200000000 ] mass: 39.098300 - symbol: Ga # 7 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: As # 9 coordinates: [ 0.595351580000000, 0.701916200000000, 0.297267780000000 ] mass: 74.921600 - symbol: As # 10 coordinates: [ 0.404648420000000, 0.298083800000000, 0.702732220000000 ] mass: 74.921600 - symbol: As # 11 coordinates: [ 0.904648420000000, 0.201916200000000, 0.106564620000000 ] mass: 74.921600 - symbol: As # 12 coordinates: [ 0.095351580000000, 0.798083800000000, 0.893435380000000 ] mass: 74.921600 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.067536100444908, 0.153018595851113 ] # a* - [ 0.149479209799204, 0.000000000000000, 0.153018595851113 ] # b* - [ 0.149479209799204, 0.067536100444908, 0.000000000000000 ] # c*unit_cell: lattice: - [ 6.689893540000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.806895770000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.535153420000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: K # 5 coordinates: [ 0.257473470000000, 0.826685330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.742526530000000, 0.826685330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.757473470000000, 0.673314670000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.242526530000000, 0.673314670000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.757473470000000, 0.326685330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 10 coordinates: [ 0.242526530000000, 0.326685330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 11 coordinates: [ 0.257473470000000, 0.173314670000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 12 coordinates: [ 0.742526530000000, 0.173314670000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 8 - symbol: Ga # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 14 - symbol: As # 17 coordinates: [ 0.701916200000000, 0.595351580000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.798083800000000, 0.904648420000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 18 - symbol: As # 19 coordinates: [ 0.201916200000000, 0.904648420000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 20 coordinates: [ 0.298083800000000, 0.595351580000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 20 - symbol: As # 21 coordinates: [ 0.201916200000000, 0.095351580000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 22 coordinates: [ 0.298083800000000, 0.404648420000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 18 - symbol: As # 23 coordinates: [ 0.701916200000000, 0.404648420000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 24 coordinates: [ 0.798083800000000, 0.095351580000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 20supercell: lattice: - [ 13.379787080000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.806895770000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.605460260000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.250000000000000, 0.000000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.750000000000000, 0.000000000000000, 0.083333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.250000000000000, 0.000000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 10 coordinates: [ 0.750000000000000, 0.000000000000000, 0.416666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 11 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 12 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 14 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 15 coordinates: [ 0.250000000000000, 0.000000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 16 coordinates: [ 0.750000000000000, 0.000000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 17 coordinates: [ 0.250000000000000, 0.000000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.750000000000000, 0.000000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.583333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.916666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: K # 25 coordinates: [ 0.128736735000000, 0.826685330000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.628736735000000, 0.826685330000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 25 - symbol: K # 27 coordinates: [ 0.128736735000000, 0.826685330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 28 coordinates: [ 0.628736735000000, 0.826685330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 29 coordinates: [ 0.128736735000000, 0.826685330000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 25 - symbol: K # 30 coordinates: [ 0.628736735000000, 0.826685330000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 25 - symbol: K # 31 coordinates: [ 0.371263265000000, 0.826685330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.871263265000000, 0.826685330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 33 coordinates: [ 0.371263265000000, 0.826685330000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 31 - symbol: K # 34 coordinates: [ 0.871263265000000, 0.826685330000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 31 - symbol: K # 35 coordinates: [ 0.371263265000000, 0.826685330000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 31 - symbol: K # 36 coordinates: [ 0.871263265000000, 0.826685330000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 31 - symbol: K # 37 coordinates: [ 0.378736735000000, 0.673314670000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 37 - symbol: K # 38 coordinates: [ 0.878736735000000, 0.673314670000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 37 - symbol: K # 39 coordinates: [ 0.378736735000000, 0.673314670000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 40 coordinates: [ 0.878736735000000, 0.673314670000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 41 coordinates: [ 0.378736735000000, 0.673314670000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 37 - symbol: K # 42 coordinates: [ 0.878736735000000, 0.673314670000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 37 - symbol: K # 43 coordinates: [ 0.121263265000000, 0.673314670000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 44 coordinates: [ 0.621263265000000, 0.673314670000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 45 coordinates: [ 0.121263265000000, 0.673314670000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 43 - symbol: K # 46 coordinates: [ 0.621263265000000, 0.673314670000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 43 - symbol: K # 47 coordinates: [ 0.121263265000000, 0.673314670000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 43 - symbol: K # 48 coordinates: [ 0.621263265000000, 0.673314670000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 43 - symbol: K # 49 coordinates: [ 0.378736735000000, 0.326685330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 50 coordinates: [ 0.878736735000000, 0.326685330000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 51 coordinates: [ 0.378736735000000, 0.326685330000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 25 - symbol: K # 52 coordinates: [ 0.878736735000000, 0.326685330000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 25 - symbol: K # 53 coordinates: [ 0.378736735000000, 0.326685330000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 25 - symbol: K # 54 coordinates: [ 0.878736735000000, 0.326685330000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 25 - symbol: K # 55 coordinates: [ 0.121263265000000, 0.326685330000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 31 - symbol: K # 56 coordinates: [ 0.621263265000000, 0.326685330000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 31 - symbol: K # 57 coordinates: [ 0.121263265000000, 0.326685330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 58 coordinates: [ 0.621263265000000, 0.326685330000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 59 coordinates: [ 0.121263265000000, 0.326685330000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 31 - symbol: K # 60 coordinates: [ 0.621263265000000, 0.326685330000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 31 - symbol: K # 61 coordinates: [ 0.128736735000000, 0.173314670000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 62 coordinates: [ 0.628736735000000, 0.173314670000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 63 coordinates: [ 0.128736735000000, 0.173314670000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 37 - symbol: K # 64 coordinates: [ 0.628736735000000, 0.173314670000000, 0.333333333333333 ] mass: 39.098300 reduced_to: 37 - symbol: K # 65 coordinates: [ 0.128736735000000, 0.173314670000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 37 - symbol: K # 66 coordinates: [ 0.628736735000000, 0.173314670000000, 0.666666666666667 ] mass: 39.098300 reduced_to: 37 - symbol: K # 67 coordinates: [ 0.371263265000000, 0.173314670000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 43 - symbol: K # 68 coordinates: [ 0.871263265000000, 0.173314670000000, 0.166666666666667 ] mass: 39.098300 reduced_to: 43 - symbol: K # 69 coordinates: [ 0.371263265000000, 0.173314670000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 70 coordinates: [ 0.871263265000000, 0.173314670000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 71 coordinates: [ 0.371263265000000, 0.173314670000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 43 - symbol: K # 72 coordinates: [ 0.871263265000000, 0.173314670000000, 0.833333333333333 ] mass: 39.098300 reduced_to: 43 - symbol: Ga # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.083333333333333 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.083333333333333 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 75 coordinates: [ 0.000000000000000, 0.000000000000000, 0.416666666666667 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 76 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416666666666667 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 79 coordinates: [ 0.250000000000000, 0.500000000000000, 0.083333333333333 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 80 coordinates: [ 0.750000000000000, 0.500000000000000, 0.083333333333333 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 81 coordinates: [ 0.250000000000000, 0.500000000000000, 0.416666666666667 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 82 coordinates: [ 0.750000000000000, 0.500000000000000, 0.416666666666667 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 83 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 84 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 85 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 86 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 87 coordinates: [ 0.250000000000000, 0.500000000000000, 0.583333333333333 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 88 coordinates: [ 0.750000000000000, 0.500000000000000, 0.583333333333333 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 89 coordinates: [ 0.250000000000000, 0.500000000000000, 0.916666666666667 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 90 coordinates: [ 0.750000000000000, 0.500000000000000, 0.916666666666667 ] mass: 69.723000 reduced_to: 73 - symbol: Ga # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583333333333333 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.583333333333333 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 95 coordinates: [ 0.000000000000000, 0.000000000000000, 0.916666666666667 ] mass: 69.723000 reduced_to: 79 - symbol: Ga # 96 coordinates: [ 0.500000000000000, 0.000000000000000, 0.916666666666667 ] mass: 69.723000 reduced_to: 79 - symbol: As # 97 coordinates: [ 0.350958100000000, 0.595351580000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 98 coordinates: [ 0.850958100000000, 0.595351580000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 99 coordinates: [ 0.350958100000000, 0.595351580000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 100 coordinates: [ 0.850958100000000, 0.595351580000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 101 coordinates: [ 0.350958100000000, 0.595351580000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 102 coordinates: [ 0.850958100000000, 0.595351580000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 103 coordinates: [ 0.399041900000000, 0.904648420000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 104 coordinates: [ 0.899041900000000, 0.904648420000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 105 coordinates: [ 0.399041900000000, 0.904648420000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 106 coordinates: [ 0.899041900000000, 0.904648420000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 107 coordinates: [ 0.399041900000000, 0.904648420000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 108 coordinates: [ 0.899041900000000, 0.904648420000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 109 coordinates: [ 0.100958100000000, 0.904648420000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 110 coordinates: [ 0.600958100000000, 0.904648420000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 111 coordinates: [ 0.100958100000000, 0.904648420000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 112 coordinates: [ 0.600958100000000, 0.904648420000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 113 coordinates: [ 0.100958100000000, 0.904648420000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 114 coordinates: [ 0.600958100000000, 0.904648420000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 115 coordinates: [ 0.149041900000000, 0.595351580000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 116 coordinates: [ 0.649041900000000, 0.595351580000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 117 coordinates: [ 0.149041900000000, 0.595351580000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 118 coordinates: [ 0.649041900000000, 0.595351580000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 119 coordinates: [ 0.149041900000000, 0.595351580000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 120 coordinates: [ 0.649041900000000, 0.595351580000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 121 coordinates: [ 0.100958100000000, 0.095351580000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 122 coordinates: [ 0.600958100000000, 0.095351580000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 97 - symbol: As # 123 coordinates: [ 0.100958100000000, 0.095351580000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 124 coordinates: [ 0.600958100000000, 0.095351580000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 97 - symbol: As # 125 coordinates: [ 0.100958100000000, 0.095351580000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 126 coordinates: [ 0.600958100000000, 0.095351580000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 97 - symbol: As # 127 coordinates: [ 0.149041900000000, 0.404648420000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 128 coordinates: [ 0.649041900000000, 0.404648420000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 103 - symbol: As # 129 coordinates: [ 0.149041900000000, 0.404648420000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 130 coordinates: [ 0.649041900000000, 0.404648420000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 103 - symbol: As # 131 coordinates: [ 0.149041900000000, 0.404648420000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 132 coordinates: [ 0.649041900000000, 0.404648420000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 103 - symbol: As # 133 coordinates: [ 0.350958100000000, 0.404648420000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 134 coordinates: [ 0.850958100000000, 0.404648420000000, 0.166666666666667 ] mass: 74.921600 reduced_to: 109 - symbol: As # 135 coordinates: [ 0.350958100000000, 0.404648420000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 136 coordinates: [ 0.850958100000000, 0.404648420000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 109 - symbol: As # 137 coordinates: [ 0.350958100000000, 0.404648420000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 138 coordinates: [ 0.850958100000000, 0.404648420000000, 0.833333333333333 ] mass: 74.921600 reduced_to: 109 - symbol: As # 139 coordinates: [ 0.399041900000000, 0.095351580000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 140 coordinates: [ 0.899041900000000, 0.095351580000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 115 - symbol: As # 141 coordinates: [ 0.399041900000000, 0.095351580000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 142 coordinates: [ 0.899041900000000, 0.095351580000000, 0.333333333333333 ] mass: 74.921600 reduced_to: 115 - symbol: As # 143 coordinates: [ 0.399041900000000, 0.095351580000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 115 - symbol: As # 144 coordinates: [ 0.899041900000000, 0.095351580000000, 0.666666666666667 ] mass: 74.921600 reduced_to: 115born_effective_charge:- # 1 (Na) - [ 1.435255990000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 0.167060360000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 0.853697840000000 ]- # 2 (Na) - [ 1.435255990000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 0.167060360000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 0.853697840000000 ]- # 3 (K) - [ 1.029166820000000, -0.315275470000000, 0.000000000000000 ] - [ -0.110831710000000, 1.368487060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.156305040000000 ]- # 4 (K) - [ 1.029166820000000, 0.315275470000000, -0.000000000000000 ] - [ 0.110831710000000, 1.368487060000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.156305040000000 ]- # 5 (K) - [ 1.029166820000000, 0.315275470000000, -0.000000000000000 ] - [ 0.110831710000000, 1.368487060000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.156305040000000 ]- # 6 (K) - [ 1.029166820000000, -0.315275470000000, 0.000000000000000 ] - [ -0.110831710000000, 1.368487060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.156305040000000 ]- # 7 (Ga) - [ 1.315874370000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.812225660000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.739200280000000 ]- # 8 (Ga) - [ 1.315874370000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.812225660000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.739200280000000 ]- # 9 (As) - [ -2.404732000000000, -0.834167900000000, -0.000000000000000 ] - [ -0.590720070000000, -1.858130070000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -3.452754100000000 ]- # 10 (As) - [ -2.404732000000000, -0.834167900000000, -0.000000000000000 ] - [ -0.590720070000000, -1.858130070000001, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -3.452754100000000 ]- # 11 (As) - [ -2.404732000000000, 0.834167900000000, 0.000000000000000 ] - [ 0.590720070000000, -1.858130070000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.452754100000000 ]- # 12 (As) - [ -2.404732000000000, 0.834167900000000, 0.000000000000000 ] - [ 0.590720070000000, -1.858130070000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.452754100000000 ]dielectric_constant: - [ 11.808355860000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.768249900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 12.138816320000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0297421900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002889700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001389000000000, 0.0000486000000000, -0.0000000200000000 ] - [ 0.0001361800000000, -0.0000902500000000, 0.0000000000000000 ] - [ -0.0001389000000000, -0.0000486000000000, 0.0000000200000000 ] - [ 0.0001361800000000, 0.0000902500000000, 0.0000000000000000 ] - [ 0.0000122900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000121700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000053600000000, -0.0000006700000000, 0.0000044100000000 ] - [ 0.0000055000000000, -0.0000006900000000, -0.0000044500000000 ] - [ 0.0000053600000000, 0.0000006700000000, -0.0000044100000000 ] - [ 0.0000055000000000, 0.0000006900000000, 0.0000044500000000 ] - [ 0.0000103600000000, 0.0000108800000000, 0.0000042600000000 ] - [ 0.0000099700000000, 0.0000108900000000, -0.0000042100000000 ] - [ 0.0000012400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000009200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000103600000000, -0.0000108800000000, -0.0000042600000000 ] - [ 0.0000099700000000, -0.0000108900000000, 0.0000042100000000 ] - [ -0.0011094400000000, -0.0000734000000000, -0.0000094000000000 ] - [ 0.0002642700000000, 0.0000993900000000, 0.0000003600000000 ] - [ -0.0000672200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000642500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0011094400000000, 0.0000734000000000, 0.0000094000000000 ] - [ 0.0002642700000000, -0.0000993900000000, -0.0000003600000000 ] - [ 0.0020250200000000, 0.0023693600000000, -0.0000201600000000 ] - [ 0.0021541100000000, 0.0020408000000000, -0.0000114500000000 ] - [ 0.0020878600000000, 0.0021755300000000, 0.0000068200000000 ] - [ 0.0021242100000000, 0.0021362100000000, -0.0000012100000000 ] - [ 0.0020628800000000, 0.0022073800000000, -0.0000010400000000 ] - [ 0.0021557000000000, 0.0020782900000000, 0.0000214800000000 ] - [ -0.0020541400000000, 0.0022691700000000, -0.0000114800000000 ] - [ -0.0021839400000000, 0.0019405600000000, -0.0000200600000000 ] - [ -0.0020527000000000, 0.0022311600000000, 0.0000211500000000 ] - [ -0.0021457700000000, 0.0021027100000000, -0.0000009600000000 ] - [ -0.0020841600000000, 0.0021733400000000, -0.0000016500000000 ] - [ -0.0021208700000000, 0.0021344700000000, 0.0000068900000000 ] - [ 0.0024436300000000, -0.0020407100000000, 0.0000513300000000 ] - [ 0.0024322900000000, -0.0041815500000000, -0.0013314800000000 ] - [ 0.0021311400000000, -0.0021357300000000, 0.0000407500000000 ] - [ 0.0020620700000000, -0.0021688000000000, -0.0000392000000000 ] - [ 0.0022113300000000, -0.0021000100000000, -0.0000869500000000 ] - [ 0.0019797600000000, -0.0022329000000000, 0.0002611500000000 ] - [ -0.0017829200000000, -0.0001192600000000, -0.0013364200000000 ] - [ -0.0017663600000000, -0.0022683100000000, 0.0000498600000000 ] - [ -0.0022276400000000, -0.0020773300000000, 0.0002606700000000 ] - [ -0.0019976900000000, -0.0022102300000000, -0.0000867700000000 ] - [ -0.0021459300000000, -0.0021412400000000, -0.0000393800000000 ] - [ -0.0020777400000000, -0.0021745600000000, 0.0000406600000000 ] - [ 0.0024436300000000, 0.0020407100000000, -0.0000513300000000 ] - [ 0.0024322900000000, 0.0041815500000000, 0.0013314800000000 ] - [ 0.0022113300000000, 0.0021000100000000, 0.0000869500000000 ] - [ 0.0019797600000000, 0.0022329000000000, -0.0002611500000000 ] - [ 0.0021311400000000, 0.0021357300000000, -0.0000407500000000 ] - [ 0.0020620700000000, 0.0021688000000000, 0.0000392000000000 ] - [ -0.0017829200000000, 0.0001192600000000, 0.0013364200000000 ] - [ -0.0017663600000000, 0.0022683100000000, -0.0000498600000000 ] - [ -0.0021459300000000, 0.0021412400000000, 0.0000393800000000 ] - [ -0.0020777400000000, 0.0021745600000000, -0.0000406600000000 ] - [ -0.0022276400000000, 0.0020773300000000, -0.0002606700000000 ] - [ -0.0019976900000000, 0.0022102300000000, 0.0000867700000000 ] - [ 0.0020250200000000, -0.0023693600000000, 0.0000201600000000 ] - [ 0.0021541100000000, -0.0020408000000000, 0.0000114500000000 ] - [ 0.0020628800000000, -0.0022073800000000, 0.0000010400000000 ] - [ 0.0021557000000000, -0.0020782900000000, -0.0000214800000000 ] - [ 0.0020878600000000, -0.0021755300000000, -0.0000068200000000 ] - [ 0.0021242100000000, -0.0021362100000000, 0.0000012100000000 ] - [ -0.0020541400000000, -0.0022691700000000, 0.0000114800000000 ] - [ -0.0021839400000000, -0.0019405600000000, 0.0000200600000000 ] - [ -0.0020841600000000, -0.0021733400000000, 0.0000016500000000 ] - [ -0.0021208700000000, -0.0021344700000000, -0.0000068900000000 ] - [ -0.0020527000000000, -0.0022311600000000, -0.0000211500000000 ] - [ -0.0021457700000000, -0.0021027100000000, 0.0000009600000000 ] - [ -0.0001214200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000936700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001262000000000, 0.0000418900000000, -0.0000009400000000 ] - [ 0.0000536200000000, -0.0000075000000000, 0.0000000300000000 ] - [ -0.0001262000000000, -0.0000418900000000, 0.0000009400000000 ] - [ 0.0000536200000000, 0.0000075000000000, -0.0000000300000000 ] - [ 0.0053783800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0052628000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000016300000000, -0.0000204600000000, 0.0001944600000000 ] - [ 0.0000001700000000, -0.0000225100000000, -0.0001923000000000 ] - [ 0.0000016300000000, 0.0000204600000000, -0.0001944600000000 ] - [ 0.0000001700000000, 0.0000225100000000, 0.0001923000000000 ] - [ 0.0007481500000000, -0.0006157600000000, 0.0007833400000000 ] - [ 0.0007433400000000, -0.0006228700000000, -0.0007841100000000 ] - [ 0.0000113300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000096500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007481500000000, 0.0006157600000000, -0.0007833400000000 ] - [ 0.0007433400000000, 0.0006228700000000, 0.0007841100000000 ] - [ -0.0001382700000000, -0.0000070100000000, 0.0000008300000000 ] - [ 0.0000665100000000, 0.0000224700000000, -0.0000008300000000 ] - [ -0.0000671800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000502000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001382700000000, 0.0000070100000000, -0.0000008300000000 ] - [ 0.0000665100000000, -0.0000224700000000, 0.0000008300000000 ] - [ -0.0073667300000000, 0.0336491000000000, 0.0003220400000000 ] - [ -0.0020071300000000, 0.0303939100000000, 0.0037863400000000 ] - [ -0.0071019600000000, 0.0339341700000000, -0.0004515000000000 ] - [ -0.0065362900000000, 0.0342992900000000, 0.0003886000000000 ] - [ -0.0067759600000000, 0.0339218300000000, 0.0000574200000000 ] - [ -0.0066239200000000, 0.0340339500000000, -0.0000745100000000 ] - [ 0.0065215800000000, -0.0341006100000000, -0.0000075000000000 ] - [ 0.0068736100000000, -0.0338922700000000, 0.0000472200000000 ] - [ 0.0066432600000000, -0.0340241500000000, -0.0000100400000000 ] - [ 0.0067308300000000, -0.0339790700000000, 0.0000240700000000 ] - [ 0.0066127900000000, -0.0340326300000000, 0.0000228300000000 ] - [ 0.0068020900000000, -0.0338957300000000, -0.0000833200000000 ] - [ -0.0064889200000000, -0.0341083000000000, 0.0000466000000000 ] - [ -0.0068427300000000, -0.0338970700000000, -0.0000075300000000 ] - [ -0.0065613000000000, -0.0341031200000000, -0.0000843400000000 ] - [ -0.0067493000000000, -0.0339673400000000, 0.0000222000000000 ] - [ -0.0066309000000000, -0.0340211100000000, 0.0000245400000000 ] - [ -0.0067206500000000, -0.0339730700000000, -0.0000108600000000 ] - [ 0.0114642500000000, 0.0376999600000000, 0.0039052100000000 ] - [ 0.0059967400000000, 0.0343503300000000, 0.0003191900000000 ] - [ 0.0067372200000000, 0.0339670500000000, -0.0000741500000000 ] - [ 0.0065863300000000, 0.0340791400000000, 0.0000586900000000 ] - [ 0.0068239100000000, 0.0337011400000000, 0.0003904400000000 ] - [ 0.0062568600000000, 0.0340657500000000, -0.0004551000000000 ] - [ -0.0064889200000000, 0.0341083000000000, -0.0000466000000000 ] - [ -0.0068427300000000, 0.0338970700000000, 0.0000075300000000 ] - [ -0.0066309000000000, 0.0340211100000000, -0.0000245400000000 ] - [ -0.0067206500000000, 0.0339730700000000, 0.0000108600000000 ] - [ -0.0065613000000000, 0.0341031200000000, 0.0000843400000000 ] - [ -0.0067493000000000, 0.0339673400000000, -0.0000222000000000 ] - [ 0.0114642500000000, -0.0376999600000000, -0.0039052100000000 ] - [ 0.0059967400000000, -0.0343503300000000, -0.0003191900000000 ] - [ 0.0068239100000000, -0.0337011400000000, -0.0003904400000000 ] - [ 0.0062568600000000, -0.0340657500000000, 0.0004551000000000 ] - [ 0.0067372200000000, -0.0339670500000000, 0.0000741500000000 ] - [ 0.0065863300000000, -0.0340791400000000, -0.0000586900000000 ] - [ -0.0073667300000000, -0.0336491000000000, -0.0003220400000000 ] - [ -0.0020071300000000, -0.0303939100000000, -0.0037863400000000 ] - [ -0.0067759600000000, -0.0339218300000000, -0.0000574200000000 ] - [ -0.0066239200000000, -0.0340339500000000, 0.0000745100000000 ] - [ -0.0071019600000000, -0.0339341700000000, 0.0004515000000000 ] - [ -0.0065362900000000, -0.0342992900000000, -0.0003886000000000 ] - [ 0.0065215800000000, 0.0341006100000000, 0.0000075000000000 ] - [ 0.0068736100000000, 0.0338922700000000, -0.0000472200000000 ] - [ 0.0066127900000000, 0.0340326300000000, -0.0000228300000000 ] - [ 0.0068020900000000, 0.0338957300000000, 0.0000833200000000 ] - [ 0.0066432600000000, 0.0340241500000000, 0.0000100400000000 ] - [ 0.0067308300000000, 0.0339790700000000, -0.0000240700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0220402900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001269600000000, 0.0000000000000000 ] - [ -0.0000485800000000, 0.0000343200000000, -0.0000000400000000 ] - [ 0.0000903400000000, -0.0001077800000000, -0.0000000500000000 ] - [ 0.0000485800000000, 0.0000343200000000, 0.0000000400000000 ] - [ -0.0000903400000000, -0.0001077800000000, 0.0000000500000000 ] - [ 0.0000000500000000, -0.0000072800000000, 0.0000214700000000 ] - [ -0.0000000500000000, -0.0000072800000000, -0.0000214700000000 ] - [ -0.0000006700000000, -0.0000017900000000, -0.0000016300000000 ] - [ -0.0000007800000000, -0.0000019500000000, 0.0000018700000000 ] - [ 0.0000007800000000, -0.0000019500000000, -0.0000018700000000 ] - [ 0.0000006700000000, -0.0000017900000000, 0.0000016300000000 ] - [ -0.0000108100000000, -0.0000054900000000, -0.0000106800000000 ] - [ -0.0000111900000000, -0.0000047700000000, 0.0000107500000000 ] - [ 0.0000003000000000, -0.0000007800000000, 0.0000031600000000 ] - [ -0.0000003000000000, -0.0000007800000000, -0.0000031600000000 ] - [ 0.0000111900000000, -0.0000047700000000, -0.0000107500000000 ] - [ 0.0000108100000000, -0.0000054900000000, 0.0000106800000000 ] - [ -0.0000733600000000, -0.0009027300000000, -0.0000094100000000 ] - [ 0.0000991000000000, -0.0000225600000000, 0.0000004200000000 ] - [ 0.0000000000000000, -0.0000146300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000072100000000, 0.0000000000000000 ] - [ 0.0000733600000000, -0.0009027300000000, 0.0000094100000000 ] - [ -0.0000991000000000, -0.0000225600000000, -0.0000004200000000 ] - [ 0.0021940400000000, 0.0023119900000000, 0.0000551900000000 ] - [ 0.0020760300000000, 0.0021403000000000, -0.0000075700000000 ] - [ 0.0021002200000000, 0.0021571800000000, 0.0000015400000000 ] - [ 0.0021152400000000, 0.0021501300000000, -0.0000002200000000 ] - [ 0.0021163800000000, 0.0021450400000000, -0.0000385100000000 ] - [ 0.0021033600000000, 0.0021993800000000, 0.0000078100000000 ] - [ -0.0020760300000000, 0.0021403000000000, 0.0000075700000000 ] - [ -0.0021940400000000, 0.0023119900000000, -0.0000551900000000 ] - [ -0.0021033600000000, 0.0021993800000000, -0.0000078100000000 ] - [ -0.0021163800000000, 0.0021450400000000, 0.0000385100000000 ] - [ -0.0021152400000000, 0.0021501300000000, 0.0000002200000000 ] - [ -0.0021002200000000, 0.0021571800000000, -0.0000015400000000 ] - [ 0.0022120400000000, -0.0020466800000000, -0.0000798200000000 ] - [ -0.0001047300000000, 0.0001102900000000, 0.0020792300000000 ] - [ 0.0021035800000000, -0.0021364000000000, 0.0000499800000000 ] - [ 0.0020903200000000, -0.0021515700000000, -0.0000325500000000 ] - [ 0.0020299000000000, -0.0021885300000000, 0.0000384900000000 ] - [ 0.0021621200000000, -0.0020670500000000, -0.0001225600000000 ] - [ 0.0001047300000000, 0.0001102900000000, -0.0020792300000000 ] - [ -0.0022120400000000, -0.0020466800000000, 0.0000798200000000 ] - [ -0.0021621200000000, -0.0020670500000000, 0.0001225600000000 ] - [ -0.0020299000000000, -0.0021885300000000, -0.0000384900000000 ] - [ -0.0020903200000000, -0.0021515700000000, 0.0000325500000000 ] - [ -0.0021035800000000, -0.0021364000000000, -0.0000499800000000 ] - [ 0.0020015700000000, 0.0022593100000000, -0.0000800100000000 ] - [ 0.0042912000000000, 0.0044022900000000, 0.0020535600000000 ] - [ 0.0021833500000000, 0.0021189000000000, 0.0000390700000000 ] - [ 0.0020504100000000, 0.0022400300000000, -0.0001237200000000 ] - [ 0.0021092900000000, 0.0021711900000000, 0.0000501100000000 ] - [ 0.0021219700000000, 0.0021560500000000, -0.0000316300000000 ] - [ -0.0042912000000000, 0.0044022900000000, -0.0020535600000000 ] - [ -0.0020015700000000, 0.0022593100000000, 0.0000800100000000 ] - [ -0.0021219700000000, 0.0021560500000000, 0.0000316300000000 ] - [ -0.0021092900000000, 0.0021711900000000, -0.0000501100000000 ] - [ -0.0020504100000000, 0.0022400300000000, 0.0001237200000000 ] - [ -0.0021833500000000, 0.0021189000000000, -0.0000390700000000 ] - [ 0.0020212600000000, -0.0019957300000000, 0.0000530700000000 ] - [ 0.0021362700000000, -0.0021666000000000, -0.0000065600000000 ] - [ 0.0020961100000000, -0.0021626900000000, -0.0000374600000000 ] - [ 0.0021098500000000, -0.0021070900000000, 0.0000071000000000 ] - [ 0.0021122300000000, -0.0021498800000000, 0.0000025300000000 ] - [ 0.0020974900000000, -0.0021575000000000, -0.0000007900000000 ] - [ -0.0021362700000000, -0.0021666000000000, 0.0000065600000000 ] - [ -0.0020212600000000, -0.0019957300000000, -0.0000530700000000 ] - [ -0.0020974900000000, -0.0021575000000000, 0.0000007900000000 ] - [ -0.0021122300000000, -0.0021498800000000, -0.0000025300000000 ] - [ -0.0021098500000000, -0.0021070900000000, -0.0000071000000000 ] - [ -0.0020961100000000, -0.0021626900000000, 0.0000374600000000 ] - [ 0.0000000000000000, 0.0000777200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000256600000000, 0.0000000000000000 ] - [ -0.0000067800000000, -0.0000169400000000, -0.0000012300000000 ] - [ 0.0000116800000000, -0.0000005700000000, 0.0000022000000000 ] - [ 0.0000067800000000, -0.0000169400000000, 0.0000012300000000 ] - [ -0.0000116800000000, -0.0000005700000000, -0.0000022000000000 ] - [ -0.0000118100000000, -0.0013048600000000, -0.0014037800000000 ] - [ 0.0000118100000000, -0.0013048600000000, 0.0014037800000000 ] - [ -0.0000915000000000, -0.0001138800000000, 0.0001147000000000 ] - [ -0.0000940600000000, -0.0001140300000000, -0.0001139600000000 ] - [ 0.0000940600000000, -0.0001140300000000, 0.0001139600000000 ] - [ 0.0000915000000000, -0.0001138800000000, -0.0001147000000000 ] - [ 0.0004497000000000, -0.0010304200000000, 0.0008122100000000 ] - [ 0.0004482100000000, -0.0010357300000000, -0.0008128100000000 ] - [ -0.0000003100000000, -0.0000179500000000, 0.0000217900000000 ] - [ 0.0000003100000000, -0.0000179500000000, -0.0000217900000000 ] - [ -0.0004482100000000, -0.0010357300000000, 0.0008128100000000 ] - [ -0.0004497000000000, -0.0010304200000000, -0.0008122100000000 ] - [ 0.0001152900000000, 0.0000242200000000, 0.0000017700000000 ] - [ -0.0000253600000000, -0.0000180700000000, -0.0000006900000000 ] - [ 0.0000000000000000, -0.0000169300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000093700000000, 0.0000000000000000 ] - [ -0.0001152900000000, 0.0000242200000000, -0.0000017700000000 ] - [ 0.0000253600000000, -0.0000180700000000, 0.0000006900000000 ] - [ -0.0065312100000000, 0.0345352400000000, 0.0003009200000000 ] - [ -0.0097291000000000, 0.0384617400000000, -0.0025676300000000 ] - [ -0.0070103300000000, 0.0340146300000000, -0.0004515100000000 ] - [ -0.0065203700000000, 0.0343209800000000, 0.0000873900000000 ] - [ -0.0066392400000000, 0.0340776000000000, -0.0000382900000000 ] - [ -0.0067197600000000, 0.0339918900000000, 0.0000466000000000 ] - [ 0.0066716200000000, -0.0339860100000000, 0.0000229600000000 ] - [ 0.0066245700000000, -0.0342171000000000, -0.0000201800000000 ] - [ 0.0066741800000000, -0.0340111100000000, -0.0000152000000000 ] - [ 0.0066912200000000, -0.0339824900000000, 0.0000192000000000 ] - [ 0.0066985200000000, -0.0339931900000000, -0.0000064400000000 ] - [ 0.0066712900000000, -0.0340237400000000, -0.0000095700000000 ] - [ -0.0066245700000000, -0.0342171000000000, 0.0000201800000000 ] - [ -0.0066716200000000, -0.0339860100000000, -0.0000229600000000 ] - [ -0.0066712900000000, -0.0340237400000000, 0.0000095700000000 ] - [ -0.0066985200000000, -0.0339931900000000, 0.0000064400000000 ] - [ -0.0066912200000000, -0.0339824900000000, -0.0000192000000000 ] - [ -0.0066741800000000, -0.0340111100000000, 0.0000152000000000 ] - [ 0.0097291000000000, 0.0384617400000000, 0.0025676300000000 ] - [ 0.0065312100000000, 0.0345352400000000, -0.0003009200000000 ] - [ 0.0067197600000000, 0.0339918900000000, -0.0000466000000000 ] - [ 0.0066392400000000, 0.0340776000000000, 0.0000382900000000 ] - [ 0.0065203700000000, 0.0343209800000000, -0.0000873900000000 ] - [ 0.0070103300000000, 0.0340146300000000, 0.0004515100000000 ] - [ -0.0067363900000000, 0.0337843700000000, 0.0000194200000000 ] - [ -0.0066884000000000, 0.0340147400000000, -0.0000232800000000 ] - [ -0.0066700600000000, 0.0340179600000000, -0.0000194800000000 ] - [ -0.0066870900000000, 0.0339885400000000, 0.0000156500000000 ] - [ -0.0066891600000000, 0.0339768400000000, 0.0000104000000000 ] - [ -0.0066621200000000, 0.0340076900000000, 0.0000063200000000 ] - [ 0.0036972300000000, -0.0295536500000000, 0.0025135900000000 ] - [ 0.0068297000000000, -0.0334669500000000, -0.0003012900000000 ] - [ 0.0068394600000000, -0.0336823100000000, -0.0000900000000000 ] - [ 0.0063458800000000, -0.0339901200000000, 0.0004533100000000 ] - [ 0.0066407700000000, -0.0340084700000000, -0.0000461600000000 ] - [ 0.0067238900000000, -0.0339223000000000, 0.0000383900000000 ] - [ -0.0068297000000000, -0.0334669500000000, 0.0003012900000000 ] - [ -0.0036972300000000, -0.0295536500000000, -0.0025135900000000 ] - [ -0.0067238900000000, -0.0339223000000000, -0.0000383900000000 ] - [ -0.0066407700000000, -0.0340084700000000, 0.0000461600000000 ] - [ -0.0063458800000000, -0.0339901200000000, -0.0004533100000000 ] - [ -0.0068394600000000, -0.0336823100000000, 0.0000900000000000 ] - [ 0.0066884000000000, 0.0340147400000000, 0.0000232800000000 ] - [ 0.0067363900000000, 0.0337843700000000, -0.0000194200000000 ] - [ 0.0066621200000000, 0.0340076900000000, -0.0000063200000000 ] - [ 0.0066891600000000, 0.0339768400000000, -0.0000104000000000 ] - [ 0.0066870900000000, 0.0339885400000000, -0.0000156500000000 ] - [ 0.0066700600000000, 0.0340179600000000, 0.0000194800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0278334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001350100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000837600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000165000000000 ] - [ 0.0000000900000000, 0.0000215500000000, -0.0000776100000000 ] - [ -0.0000000900000000, -0.0000215500000000, -0.0000776100000000 ] - [ 0.0000044500000000, -0.0000017300000000, 0.0000150400000000 ] - [ -0.0000044500000000, 0.0000017300000000, 0.0000150400000000 ] - [ -0.0000043600000000, -0.0000017800000000, 0.0000150300000000 ] - [ 0.0000043600000000, 0.0000017800000000, 0.0000150300000000 ] - [ 0.0000043300000000, 0.0000106800000000, 0.0000097000000000 ] - [ -0.0000043300000000, -0.0000106800000000, 0.0000097000000000 ] - [ 0.0000000000000000, -0.0000030900000000, 0.0000203000000000 ] - [ 0.0000000000000000, 0.0000030900000000, 0.0000203000000000 ] - [ -0.0000042200000000, 0.0000108200000000, 0.0000096300000000 ] - [ 0.0000042200000000, -0.0000108200000000, 0.0000096300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000341300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000495100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054260600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000334300000000 ] - [ 0.0020566900000000, 0.0023185600000000, -0.0000474000000000 ] - [ 0.0021181600000000, 0.0021632600000000, -0.0000663400000000 ] - [ 0.0021071400000000, 0.0021646700000000, 0.0000306000000000 ] - [ 0.0020977000000000, 0.0021716900000000, 0.0000259700000000 ] - [ 0.0021028700000000, 0.0021003100000000, 0.0000182900000000 ] - [ 0.0021234000000000, 0.0021111700000000, 0.0000365100000000 ] - [ -0.0020884900000000, 0.0021478700000000, -0.0000662100000000 ] - [ -0.0021506000000000, 0.0019917500000000, -0.0000479100000000 ] - [ -0.0020836500000000, 0.0021995900000000, 0.0000365500000000 ] - [ -0.0021038900000000, 0.0022108400000000, 0.0000185000000000 ] - [ -0.0021091500000000, 0.0021391700000000, 0.0000260800000000 ] - [ -0.0020998500000000, 0.0021461800000000, 0.0000307800000000 ] - [ 0.0021135300000000, -0.0021839900000000, -0.0000528800000000 ] - [ 0.0006939000000000, -0.0001163500000000, 0.0002931800000000 ] - [ 0.0020995100000000, -0.0021422100000000, 0.0000517000000000 ] - [ 0.0021104800000000, -0.0021460000000000, 0.0000717200000000 ] - [ 0.0020763500000000, -0.0021773200000000, 0.0000118700000000 ] - [ 0.0021232800000000, -0.0022388500000000, 0.0001996900000000 ] - [ -0.0035060900000000, -0.0041824200000000, 0.0003010100000000 ] - [ -0.0020927600000000, -0.0021266800000000, -0.0000538200000000 ] - [ -0.0020829200000000, -0.0020717400000000, 0.0001993200000000 ] - [ -0.0021308200000000, -0.0021335900000000, 0.0000124700000000 ] - [ -0.0020965800000000, -0.0021649600000000, 0.0000715800000000 ] - [ -0.0021074100000000, -0.0021686800000000, 0.0000519700000000 ] - [ 0.0020927600000000, 0.0021266800000000, -0.0000538200000000 ] - [ 0.0035060900000000, 0.0041824200000000, 0.0003010100000000 ] - [ 0.0021308200000000, 0.0021335900000000, 0.0000124700000000 ] - [ 0.0020829200000000, 0.0020717400000000, 0.0001993200000000 ] - [ 0.0021074100000000, 0.0021686800000000, 0.0000519700000000 ] - [ 0.0020965800000000, 0.0021649600000000, 0.0000715800000000 ] - [ -0.0006939000000000, 0.0001163500000000, 0.0002931800000000 ] - [ -0.0021135300000000, 0.0021839900000000, -0.0000528800000000 ] - [ -0.0021104800000000, 0.0021460000000000, 0.0000717200000000 ] - [ -0.0020995100000000, 0.0021422100000000, 0.0000517000000000 ] - [ -0.0021232800000000, 0.0022388500000000, 0.0001996900000000 ] - [ -0.0020763500000000, 0.0021773200000000, 0.0000118700000000 ] - [ 0.0021506000000000, -0.0019917500000000, -0.0000479100000000 ] - [ 0.0020884900000000, -0.0021478700000000, -0.0000662100000000 ] - [ 0.0021038900000000, -0.0022108400000000, 0.0000185000000000 ] - [ 0.0020836500000000, -0.0021995900000000, 0.0000365500000000 ] - [ 0.0020998500000000, -0.0021461800000000, 0.0000307800000000 ] - [ 0.0021091500000000, -0.0021391700000000, 0.0000260800000000 ] - [ -0.0021181600000000, -0.0021632600000000, -0.0000663400000000 ] - [ -0.0020566900000000, -0.0023185600000000, -0.0000474000000000 ] - [ -0.0020977000000000, -0.0021716900000000, 0.0000259700000000 ] - [ -0.0021071400000000, -0.0021646700000000, 0.0000306000000000 ] - [ -0.0021234000000000, -0.0021111700000000, 0.0000365100000000 ] - [ -0.0021028700000000, -0.0021003100000000, 0.0000182900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002958400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003451600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000710500000000 ] - [ -0.0000098700000000, -0.0013964600000000, -0.0023295400000000 ] - [ 0.0000098700000000, 0.0013964600000000, -0.0023295400000000 ] - [ 0.0000581600000000, 0.0001400700000000, 0.0002490700000000 ] - [ -0.0000581600000000, -0.0001400700000000, 0.0002490700000000 ] - [ -0.0000560200000000, 0.0001370300000000, 0.0002491100000000 ] - [ 0.0000560200000000, -0.0001370300000000, 0.0002491100000000 ] - [ 0.0006044700000000, -0.0004318400000000, 0.0006647200000000 ] - [ -0.0006044700000000, 0.0004318400000000, 0.0006647200000000 ] - [ -0.0000005200000000, 0.0000144200000000, 0.0002178700000000 ] - [ 0.0000005200000000, -0.0000144200000000, 0.0002178700000000 ] - [ -0.0006014100000000, -0.0004398000000000, 0.0006654300000000 ] - [ 0.0006014100000000, 0.0004398000000000, 0.0006654300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001216800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000564000000000 ] - [ -0.0065022700000000, 0.0343759300000000, 0.0005226600000000 ] - [ -0.0036843000000000, 0.0312279800000000, 0.0042184000000000 ] - [ -0.0067607900000000, 0.0340098200000000, -0.0001523500000000 ] - [ -0.0065072500000000, 0.0339342500000000, -0.0004487100000000 ] - [ -0.0066447600000000, 0.0340191400000000, -0.0002391900000000 ] - [ -0.0066923900000000, 0.0340293500000000, -0.0001840100000000 ] - [ 0.0066416400000000, -0.0341066800000000, 0.0001070300000000 ] - [ 0.0066941100000000, -0.0341144300000000, 0.0001485800000000 ] - [ 0.0066802900000000, -0.0340060600000000, -0.0000729200000000 ] - [ 0.0066791300000000, -0.0340134300000000, -0.0000985900000000 ] - [ 0.0066936200000000, -0.0339746200000000, -0.0000378400000000 ] - [ 0.0067073400000000, -0.0339417900000000, -0.0000519400000000 ] - [ -0.0066687400000000, -0.0338869600000000, 0.0001485400000000 ] - [ -0.0067208400000000, -0.0338944000000000, 0.0001076300000000 ] - [ -0.0066555000000000, -0.0340581900000000, -0.0000519800000000 ] - [ -0.0066684900000000, -0.0340266600000000, -0.0000367600000000 ] - [ -0.0066828200000000, -0.0339887500000000, -0.0000988900000000 ] - [ -0.0066820600000000, -0.0339953000000000, -0.0000726100000000 ] - [ 0.0097756600000000, 0.0368384100000000, 0.0042732300000000 ] - [ 0.0068615000000000, 0.0336256200000000, 0.0005209900000000 ] - [ 0.0066684600000000, 0.0339713300000000, -0.0001846200000000 ] - [ 0.0067179500000000, 0.0339827400000000, -0.0002390000000000 ] - [ 0.0068522400000000, 0.0340675900000000, -0.0004464600000000 ] - [ 0.0066009700000000, 0.0339898600000000, -0.0001564500000000 ] - [ -0.0066941100000000, 0.0341144300000000, 0.0001485800000000 ] - [ -0.0066416400000000, 0.0341066800000000, 0.0001070300000000 ] - [ -0.0066791300000000, 0.0340134300000000, -0.0000985900000000 ] - [ -0.0066802900000000, 0.0340060600000000, -0.0000729200000000 ] - [ -0.0067073400000000, 0.0339417900000000, -0.0000519400000000 ] - [ -0.0066936200000000, 0.0339746200000000, -0.0000378400000000 ] - [ 0.0036843000000000, -0.0312279800000000, 0.0042184000000000 ] - [ 0.0065022700000000, -0.0343759300000000, 0.0005226600000000 ] - [ 0.0065072500000000, -0.0339342500000000, -0.0004487100000000 ] - [ 0.0067607900000000, -0.0340098200000000, -0.0001523500000000 ] - [ 0.0066923900000000, -0.0340293500000000, -0.0001840100000000 ] - [ 0.0066447600000000, -0.0340191400000000, -0.0002391900000000 ] - [ -0.0068615000000000, -0.0336256200000000, 0.0005209900000000 ] - [ -0.0097756600000000, -0.0368384100000000, 0.0042732300000000 ] - [ -0.0067179500000000, -0.0339827400000000, -0.0002390000000000 ] - [ -0.0066684600000000, -0.0339713300000000, -0.0001846200000000 ] - [ -0.0066009700000000, -0.0339898600000000, -0.0001564500000000 ] - [ -0.0068522400000000, -0.0340675900000000, -0.0004464600000000 ] - [ 0.0067208400000000, 0.0338944000000000, 0.0001076300000000 ] - [ 0.0066687400000000, 0.0338869600000000, 0.0001485400000000 ] - [ 0.0066684900000000, 0.0340266600000000, -0.0000367600000000 ] - [ 0.0066555000000000, 0.0340581900000000, -0.0000519800000000 ] - [ 0.0066820600000000, 0.0339953000000000, -0.0000726100000000 ] - [ 0.0066828200000000, 0.0339887500000000, -0.0000988900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000785700000000, 0.0000866700000000, -0.0000469400000000 ] - [ 0.0000502700000000, -0.0000305400000000, 0.0000147400000000 ] - [ -0.0000409000000000, 0.0000102600000000, -0.0000006600000000 ] - [ 0.0000516800000000, -0.0000032700000000, 0.0000200700000000 ] - [ -0.0000160900000000, -0.0000059800000000, 0.0000036900000000 ] - [ 0.0000204100000000, 0.0000094100000000, -0.0000055500000000 ] - [ 0.0003214600000000, 0.0022027500000000, -0.0014086700000000 ] - [ 0.0003377100000000, -0.0001050500000000, 0.0000126700000000 ] - [ -0.0001241800000000, -0.0000553800000000, 0.0000198500000000 ] - [ 0.0001075400000000, 0.0000767800000000, -0.0000276500000000 ] - [ -0.0000417300000000, 0.0000160200000000, 0.0000070700000000 ] - [ 0.0000269200000000, 0.0000027400000000, -0.0000037600000000 ] - [ 0.0003214600000000, 0.0022027500000000, 0.0014086700000000 ] - [ 0.0003377100000000, -0.0001050500000000, -0.0000126700000000 ] - [ -0.0000417300000000, 0.0000160200000000, -0.0000070700000000 ] - [ 0.0000269200000000, 0.0000027400000000, 0.0000037600000000 ] - [ -0.0001241800000000, -0.0000553800000000, -0.0000198500000000 ] - [ 0.0001075400000000, 0.0000767800000000, 0.0000276500000000 ] - [ -0.0000785700000000, 0.0000866700000000, 0.0000469400000000 ] - [ 0.0000502700000000, -0.0000305400000000, -0.0000147400000000 ] - [ -0.0000160900000000, -0.0000059800000000, -0.0000036900000000 ] - [ 0.0000204100000000, 0.0000094100000000, 0.0000055500000000 ] - [ -0.0000409000000000, 0.0000102600000000, 0.0000006600000000 ] - [ 0.0000516800000000, -0.0000032700000000, -0.0000200700000000 ] - [ -0.0148590400000000, 0.0052212500000000, 0.0000000000000000 ] - [ 0.0024345400000000, 0.0020486100000000, 0.0000000000000000 ] - [ 0.0020992900000000, 0.0021907400000000, -0.0000508800000000 ] - [ 0.0021148500000000, 0.0021388500000000, 0.0000366200000000 ] - [ 0.0020992900000000, 0.0021907400000000, 0.0000508800000000 ] - [ 0.0021148500000000, 0.0021388500000000, -0.0000366200000000 ] - [ -0.0016478300000000, 0.0022237400000000, -0.0008367800000000 ] - [ -0.0016009900000000, 0.0021134600000000, 0.0006426100000000 ] - [ -0.0016478300000000, 0.0022237400000000, 0.0008367800000000 ] - [ -0.0016009900000000, 0.0021134600000000, -0.0006426100000000 ] - [ -0.0021158400000000, 0.0021599100000000, 0.0000000000000000 ] - [ -0.0020847800000000, 0.0021563400000000, 0.0000000000000000 ] - [ 0.0040083400000000, -0.0039062800000000, 0.0000000000000000 ] - [ 0.0039933500000000, -0.0005109400000000, 0.0000000000000000 ] - [ 0.0021064200000000, -0.0021488700000000, 0.0000289900000000 ] - [ 0.0021066500000000, -0.0021572300000000, -0.0000231300000000 ] - [ 0.0021064200000000, -0.0021488700000000, -0.0000289900000000 ] - [ 0.0021066500000000, -0.0021572300000000, 0.0000231300000000 ] - [ -0.0027618500000000, -0.0020575500000000, 0.0000118300000000 ] - [ -0.0020330500000000, -0.0022030400000000, -0.0000024800000000 ] - [ -0.0027618500000000, -0.0020575500000000, -0.0000118300000000 ] - [ -0.0020330500000000, -0.0022030400000000, 0.0000024800000000 ] - [ -0.0021157200000000, -0.0021404300000000, 0.0000000000000000 ] - [ -0.0020976100000000, -0.0021643300000000, 0.0000000000000000 ] - [ 0.0021089200000000, 0.0021623600000000, 0.0000233600000000 ] - [ 0.0021090500000000, 0.0021135500000000, -0.0000336800000000 ] - [ 0.0021089200000000, 0.0021623600000000, -0.0000233600000000 ] - [ 0.0021090500000000, 0.0021135500000000, 0.0000336800000000 ] - [ 0.0021068600000000, 0.0021526300000000, 0.0000000000000000 ] - [ 0.0021070100000000, 0.0021440800000000, 0.0000000000000000 ] - [ -0.0020867200000000, 0.0020271700000000, 0.0000000000000000 ] - [ -0.0021047400000000, 0.0022188400000000, 0.0000000000000000 ] - [ -0.0021428800000000, 0.0021195700000000, 0.0000101500000000 ] - [ -0.0020727000000000, 0.0021715700000000, -0.0000059700000000 ] - [ -0.0021428800000000, 0.0021195700000000, -0.0000101500000000 ] - [ -0.0020727000000000, 0.0021715700000000, 0.0000059700000000 ] - [ 0.0019987300000000, -0.0022399200000000, 0.0000449300000000 ] - [ 0.0022078400000000, -0.0021066200000000, -0.0000779800000000 ] - [ 0.0019987300000000, -0.0022399200000000, -0.0000449300000000 ] - [ 0.0022078400000000, -0.0021066200000000, 0.0000779800000000 ] - [ 0.0020797600000000, -0.0021770400000000, 0.0000000000000000 ] - [ 0.0021184200000000, -0.0021549000000000, 0.0000000000000000 ] - [ -0.0022288300000000, -0.0019854300000000, 0.0000000000000000 ] - [ -0.0019200700000000, -0.0024085300000000, 0.0000000000000000 ] - [ -0.0021396500000000, -0.0021658800000000, 0.0000429700000000 ] - [ -0.0020756400000000, -0.0021501700000000, -0.0000427200000000 ] - [ -0.0021396500000000, -0.0021658800000000, -0.0000429700000000 ] - [ -0.0020756400000000, -0.0021501700000000, 0.0000427200000000 ] - [ 0.0002419000000000, -0.0028731700000000, 0.0023026500000000 ] - [ 0.0006071300000000, 0.0006429700000000, -0.0010455900000000 ] - [ 0.0001746400000000, 0.0002673800000000, 0.0000127200000000 ] - [ -0.0000172600000000, -0.0000385700000000, 0.0001326500000000 ] - [ 0.0000505300000000, 0.0000604800000000, 0.0000254300000000 ] - [ -0.0000031700000000, -0.0000079900000000, -0.0000106200000000 ] - [ 0.0001315600000000, -0.0000794100000000, 0.0000785400000000 ] - [ 0.0000256000000000, 0.0000678100000000, -0.0001070600000000 ] - [ -0.0001700400000000, -0.0000144500000000, 0.0001317400000000 ] - [ 0.0001386400000000, 0.0000856900000000, -0.0001075400000000 ] - [ -0.0000445500000000, 0.0000280700000000, -0.0000298600000000 ] - [ 0.0000301800000000, -0.0000157300000000, 0.0000231700000000 ] - [ 0.0001315600000000, -0.0000794100000000, -0.0000785400000000 ] - [ 0.0000256000000000, 0.0000678100000000, 0.0001070600000000 ] - [ -0.0000445500000000, 0.0000280700000000, 0.0000298600000000 ] - [ 0.0000301800000000, -0.0000157300000000, -0.0000231700000000 ] - [ -0.0001700400000000, -0.0000144500000000, -0.0001317400000000 ] - [ 0.0001386400000000, 0.0000856900000000, 0.0001075400000000 ] - [ 0.0002419000000000, -0.0028731700000000, -0.0023026500000000 ] - [ 0.0006071300000000, 0.0006429700000000, 0.0010455900000000 ] - [ 0.0000505300000000, 0.0000604800000000, -0.0000254300000000 ] - [ -0.0000031700000000, -0.0000079900000000, 0.0000106200000000 ] - [ 0.0001746400000000, 0.0002673800000000, -0.0000127200000000 ] - [ -0.0000172600000000, -0.0000385700000000, -0.0001326500000000 ] - [ -0.0066286500000000, 0.0342970000000000, 0.0002642900000000 ] - [ -0.0068570300000000, 0.0337632500000000, -0.0001985300000000 ] - [ -0.0066286500000000, 0.0342970000000000, -0.0002642900000000 ] - [ -0.0068570300000000, 0.0337632500000000, 0.0001985300000000 ] - [ -0.0066735500000000, 0.0339836600000000, 0.0000000000000000 ] - [ -0.0066835500000000, 0.0340051100000000, 0.0000000000000000 ] - [ 0.0056672100000000, -0.0350268500000000, 0.0000000000000000 ] - [ 0.0153770300000000, -0.0361771900000000, 0.0000000000000000 ] - [ 0.0067192900000000, -0.0339790900000000, -0.0000251900000000 ] - [ 0.0066606200000000, -0.0340451600000000, -0.0000422300000000 ] - [ 0.0067192900000000, -0.0339790900000000, 0.0000251900000000 ] - [ 0.0066606200000000, -0.0340451600000000, 0.0000422300000000 ] - [ -0.0060696800000000, -0.0342015800000000, 0.0002142500000000 ] - [ -0.0070380400000000, -0.0339500900000000, 0.0003057000000000 ] - [ -0.0060696800000000, -0.0342015800000000, -0.0002142500000000 ] - [ -0.0070380400000000, -0.0339500900000000, -0.0003057000000000 ] - [ -0.0066777300000000, -0.0340308800000000, 0.0000000000000000 ] - [ -0.0066812900000000, -0.0339946100000000, 0.0000000000000000 ] - [ 0.0071851200000000, 0.0338977000000000, 0.0000000000000000 ] - [ 0.0064079800000000, 0.0339831800000000, 0.0000000000000000 ] - [ 0.0067465700000000, 0.0339547500000000, -0.0000223100000000 ] - [ 0.0066189900000000, 0.0340200000000000, 0.0000091300000000 ] - [ 0.0067465700000000, 0.0339547500000000, 0.0000223100000000 ] - [ 0.0066189900000000, 0.0340200000000000, -0.0000091300000000 ] - [ -0.0058401100000000, 0.0342403800000000, 0.0000000000000000 ] - [ -0.0073058700000000, 0.0335083200000000, 0.0000000000000000 ] - [ -0.0066076600000000, 0.0341141000000000, 0.0002189100000000 ] - [ -0.0067562000000000, 0.0339467900000000, -0.0000821800000000 ] - [ -0.0066076600000000, 0.0341141000000000, -0.0002189100000000 ] - [ -0.0067562000000000, 0.0339467900000000, 0.0000821800000000 ] - [ 0.0067692000000000, -0.0339078700000000, 0.0000731400000000 ] - [ 0.0065563900000000, -0.0340564000000000, 0.0000339100000000 ] - [ 0.0067692000000000, -0.0339078700000000, -0.0000731400000000 ] - [ 0.0065563900000000, -0.0340564000000000, -0.0000339100000000 ] - [ 0.0067260600000000, -0.0339709600000000, 0.0000000000000000 ] - [ 0.0066459600000000, -0.0340148400000000, 0.0000000000000000 ] - [ -0.0065974100000000, -0.0340587800000000, 0.0000000000000000 ] - [ -0.0066477700000000, -0.0340103500000000, 0.0000000000000000 ] - [ -0.0066664400000000, -0.0339798100000000, -0.0001058700000000 ] - [ -0.0066974100000000, -0.0339913200000000, 0.0000572100000000 ] - [ -0.0066664400000000, -0.0339798100000000, 0.0001058700000000 ] - [ -0.0066974100000000, -0.0339913200000000, -0.0000572100000000 ] - [ 0.0067901400000000, 0.0338044600000000, 0.0003487300000000 ] - [ 0.0065585800000000, 0.0343877300000000, -0.0005896900000000 ] - [ 0.0067901400000000, 0.0338044600000000, -0.0003487300000000 ] - [ 0.0065585800000000, 0.0343877300000000, 0.0005896900000000 ] - [ 0.0067090600000000, 0.0339949600000000, 0.0000000000000000 ] - [ 0.0066429400000000, 0.0339726400000000, 0.0000000000000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000795300000000, -0.0000873300000000, 0.0000472100000000 ] - [ -0.0000510200000000, 0.0000300400000000, -0.0000148700000000 ] - [ 0.0000409200000000, -0.0000098200000000, 0.0000006000000000 ] - [ -0.0000518700000000, 0.0000032300000000, -0.0000198400000000 ] - [ 0.0000158100000000, 0.0000061700000000, -0.0000034700000000 ] - [ -0.0000206700000000, -0.0000090300000000, 0.0000057100000000 ] - [ -0.0003285300000000, -0.0021927600000000, 0.0014033200000000 ] - [ -0.0003401000000000, 0.0001048900000000, -0.0000079800000000 ] - [ 0.0001231600000000, 0.0000554500000000, -0.0000200300000000 ] - [ -0.0001075200000000, -0.0000761700000000, 0.0000270800000000 ] - [ 0.0000410800000000, -0.0000162000000000, -0.0000068700000000 ] - [ -0.0000274900000000, -0.0000029100000000, 0.0000040100000000 ] - [ -0.0003285300000000, -0.0021927600000000, -0.0014033200000000 ] - [ -0.0003401000000000, 0.0001048900000000, 0.0000079800000000 ] - [ 0.0000410800000000, -0.0000162000000000, 0.0000068700000000 ] - [ -0.0000274900000000, -0.0000029100000000, -0.0000040100000000 ] - [ 0.0001231600000000, 0.0000554500000000, 0.0000200300000000 ] - [ -0.0001075200000000, -0.0000761700000000, -0.0000270800000000 ] - [ 0.0000795300000000, -0.0000873300000000, -0.0000472100000000 ] - [ -0.0000510200000000, 0.0000300400000000, 0.0000148700000000 ] - [ 0.0000158100000000, 0.0000061700000000, 0.0000034700000000 ] - [ -0.0000206700000000, -0.0000090300000000, -0.0000057100000000 ] - [ 0.0000409200000000, -0.0000098200000000, -0.0000006000000000 ] - [ -0.0000518700000000, 0.0000032300000000, 0.0000198400000000 ] - [ 0.0193420000000000, -0.0011100500000000, 0.0000000000000000 ] - [ 0.0017778300000000, 0.0022674400000000, 0.0000000000000000 ] - [ 0.0021123500000000, 0.0021201700000000, 0.0000507200000000 ] - [ 0.0020968000000000, 0.0021723300000000, -0.0000363300000000 ] - [ 0.0021123500000000, 0.0021201700000000, -0.0000507200000000 ] - [ 0.0020968000000000, 0.0021723300000000, 0.0000363300000000 ] - [ -0.0025592800000000, 0.0020884800000000, 0.0008290900000000 ] - [ -0.0026154400000000, 0.0021992400000000, -0.0006481400000000 ] - [ -0.0025592800000000, 0.0020884800000000, -0.0008290900000000 ] - [ -0.0026154400000000, 0.0021992400000000, 0.0006481400000000 ] - [ -0.0020960700000000, 0.0021501900000000, 0.0000000000000000 ] - [ -0.0021270700000000, 0.0021545100000000, 0.0000000000000000 ] - [ 0.0002186300000000, -0.0004246900000000, 0.0000000000000000 ] - [ 0.0002030900000000, -0.0038156400000000, 0.0000000000000000 ] - [ 0.0021047200000000, -0.0021626600000000, -0.0000298900000000 ] - [ 0.0021049300000000, -0.0021549300000000, 0.0000226300000000 ] - [ 0.0021047200000000, -0.0021626600000000, 0.0000298900000000 ] - [ 0.0021049300000000, -0.0021549300000000, -0.0000226300000000 ] - [ -0.0014495500000000, -0.0022487200000000, -0.0000055900000000 ] - [ -0.0021788300000000, -0.0021074200000000, 0.0000014600000000 ] - [ -0.0014495500000000, -0.0022487200000000, 0.0000055900000000 ] - [ -0.0021788300000000, -0.0021074200000000, -0.0000014600000000 ] - [ -0.0020970700000000, -0.0021693200000000, 0.0000000000000000 ] - [ -0.0021143400000000, -0.0021459000000000, 0.0000000000000000 ] - [ 0.0021023900000000, 0.0021497000000000, -0.0000232000000000 ] - [ 0.0021024000000000, 0.0021978100000000, 0.0000335100000000 ] - [ 0.0021023900000000, 0.0021497000000000, 0.0000232000000000 ] - [ 0.0021024000000000, 0.0021978100000000, -0.0000335100000000 ] - [ 0.0021051200000000, 0.0021584700000000, 0.0000000000000000 ] - [ 0.0021051900000000, 0.0021675000000000, 0.0000000000000000 ] - [ -0.0021257700000000, 0.0022846300000000, 0.0000000000000000 ] - [ -0.0021082300000000, 0.0020906800000000, 0.0000000000000000 ] - [ -0.0020686700000000, 0.0021915200000000, -0.0000110500000000 ] - [ -0.0021384400000000, 0.0021402800000000, 0.0000045700000000 ] - [ -0.0020686700000000, 0.0021915200000000, 0.0000110500000000 ] - [ -0.0021384400000000, 0.0021402800000000, -0.0000045700000000 ] - [ 0.0022124400000000, -0.0020710000000000, -0.0000452800000000 ] - [ 0.0020035300000000, -0.0022048100000000, 0.0000781600000000 ] - [ 0.0022124400000000, -0.0020710000000000, 0.0000452800000000 ] - [ 0.0020035300000000, -0.0022048100000000, -0.0000781600000000 ] - [ 0.0021314100000000, -0.0021339300000000, 0.0000000000000000 ] - [ 0.0020935800000000, -0.0021556400000000, 0.0000000000000000 ] - [ -0.0019818300000000, -0.0023249800000000, 0.0000000000000000 ] - [ -0.0022924900000000, -0.0019014300000000, 0.0000000000000000 ] - [ -0.0020724000000000, -0.0021444400000000, -0.0000428400000000 ] - [ -0.0021364300000000, -0.0021611700000000, 0.0000417500000000 ] - [ -0.0020724000000000, -0.0021444400000000, 0.0000428400000000 ] - [ -0.0021364300000000, -0.0021611700000000, -0.0000417500000000 ] - [ -0.0002380200000000, 0.0028924400000000, -0.0023200000000000 ] - [ -0.0005986300000000, -0.0006428000000000, 0.0010501400000000 ] - [ -0.0001744500000000, -0.0002673600000000, -0.0000152900000000 ] - [ 0.0000168900000000, 0.0000383000000000, -0.0001345300000000 ] - [ -0.0000503900000000, -0.0000635900000000, -0.0000268000000000 ] - [ 0.0000034500000000, 0.0000055600000000, 0.0000108000000000 ] - [ -0.0001344900000000, 0.0000796300000000, -0.0000750500000000 ] - [ -0.0000233100000000, -0.0000703400000000, 0.0001069400000000 ] - [ 0.0001689800000000, 0.0000140600000000, -0.0001307500000000 ] - [ -0.0001388000000000, -0.0000874200000000, 0.0001076300000000 ] - [ 0.0000442900000000, -0.0000269200000000, 0.0000306300000000 ] - [ -0.0000296700000000, 0.0000149200000000, -0.0000213200000000 ] - [ -0.0001344900000000, 0.0000796300000000, 0.0000750500000000 ] - [ -0.0000233100000000, -0.0000703400000000, -0.0001069400000000 ] - [ 0.0000442900000000, -0.0000269200000000, -0.0000306300000000 ] - [ -0.0000296700000000, 0.0000149200000000, 0.0000213200000000 ] - [ 0.0001689800000000, 0.0000140600000000, 0.0001307500000000 ] - [ -0.0001388000000000, -0.0000874200000000, -0.0001076300000000 ] - [ -0.0002380200000000, 0.0028924400000000, 0.0023200000000000 ] - [ -0.0005986300000000, -0.0006428000000000, -0.0010501400000000 ] - [ -0.0000503900000000, -0.0000635900000000, 0.0000268000000000 ] - [ 0.0000034500000000, 0.0000055600000000, -0.0000108000000000 ] - [ -0.0001744500000000, -0.0002673600000000, 0.0000152900000000 ] - [ 0.0000168900000000, 0.0000383000000000, 0.0001345300000000 ] - [ -0.0067281400000000, 0.0337041800000000, -0.0002625100000000 ] - [ -0.0065004500000000, 0.0342392900000000, 0.0001980500000000 ] - [ -0.0067281400000000, 0.0337041800000000, 0.0002625100000000 ] - [ -0.0065004500000000, 0.0342392900000000, -0.0001980500000000 ] - [ -0.0066890700000000, 0.0340105900000000, 0.0000000000000000 ] - [ -0.0066777900000000, 0.0339911800000000, 0.0000000000000000 ] - [ 0.0077405200000000, -0.0329494200000000, 0.0000000000000000 ] - [ -0.0023281000000000, -0.0316901200000000, 0.0000000000000000 ] - [ 0.0066377300000000, -0.0340221300000000, 0.0000260700000000 ] - [ 0.0066989400000000, -0.0339497300000000, 0.0000435400000000 ] - [ 0.0066377300000000, -0.0340221300000000, -0.0000260700000000 ] - [ 0.0066989400000000, -0.0339497300000000, -0.0000435400000000 ] - [ -0.0072904500000000, -0.0337994400000000, -0.0002030200000000 ] - [ -0.0063203000000000, -0.0340475100000000, -0.0003049900000000 ] - [ -0.0072904500000000, -0.0337994400000000, 0.0002030200000000 ] - [ -0.0063203000000000, -0.0340475100000000, 0.0003049900000000 ] - [ -0.0066861900000000, -0.0339630500000000, 0.0000000000000000 ] - [ -0.0066809500000000, -0.0340019900000000, 0.0000000000000000 ] - [ 0.0061792100000000, 0.0341039000000000, 0.0000000000000000 ] - [ 0.0069516700000000, 0.0340202300000000, 0.0000000000000000 ] - [ 0.0066158300000000, 0.0340404500000000, 0.0000214700000000 ] - [ 0.0067400800000000, 0.0339781400000000, -0.0000102700000000 ] - [ 0.0066158300000000, 0.0340404500000000, -0.0000214700000000 ] - [ 0.0067400800000000, 0.0339781400000000, 0.0000102700000000 ] - [ -0.0075179300000000, 0.0337591500000000, 0.0000000000000000 ] - [ -0.0060623300000000, 0.0344932600000000, 0.0000000000000000 ] - [ -0.0067556800000000, 0.0338808400000000, -0.0002178100000000 ] - [ -0.0066043700000000, 0.0340507900000000, 0.0000826800000000 ] - [ -0.0067556800000000, 0.0338808400000000, 0.0002178100000000 ] - [ -0.0066043700000000, 0.0340507900000000, -0.0000826800000000 ] - [ 0.0065926000000000, -0.0340883200000000, -0.0000745000000000 ] - [ 0.0068055500000000, -0.0339408000000000, -0.0000371700000000 ] - [ 0.0065926000000000, -0.0340883200000000, 0.0000745000000000 ] - [ 0.0068055500000000, -0.0339408000000000, 0.0000371700000000 ] - [ 0.0066346700000000, -0.0340265800000000, 0.0000000000000000 ] - [ 0.0067178000000000, -0.0339790200000000, 0.0000000000000000 ] - [ -0.0067614100000000, -0.0339339200000000, 0.0000000000000000 ] - [ -0.0067140300000000, -0.0339850000000000, 0.0000000000000000 ] - [ -0.0066926000000000, -0.0340179900000000, 0.0001041100000000 ] - [ -0.0066622400000000, -0.0340067400000000, -0.0000588600000000 ] - [ -0.0066926000000000, -0.0340179900000000, -0.0001041100000000 ] - [ -0.0066622400000000, -0.0340067400000000, 0.0000588600000000 ] - [ 0.0065681700000000, 0.0341871500000000, -0.0003455500000000 ] - [ 0.0068009200000000, 0.0336092200000000, 0.0005908600000000 ] - [ 0.0065681700000000, 0.0341871500000000, 0.0003455500000000 ] - [ 0.0068009200000000, 0.0336092200000000, -0.0005908600000000 ] - [ 0.0066489800000000, 0.0340084300000000, 0.0000000000000000 ] - [ 0.0067204500000000, 0.0340229200000000, 0.0000000000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002147100000000, 0.0001573000000000, 0.0001631200000000 ] - [ -0.0001139700000000, -0.0000132400000000, 0.0000082800000000 ] - [ 0.0000521400000000, -0.0000085300000000, -0.0000550200000000 ] - [ -0.0000762000000000, 0.0000461600000000, -0.0000440300000000 ] - [ 0.0000206200000000, 0.0000039500000000, 0.0000088700000000 ] - [ -0.0000185600000000, -0.0000035600000000, 0.0000160400000000 ] - [ 0.0020420300000000, 0.0022623500000000, -0.0020441400000000 ] - [ -0.0001137600000000, 0.0001069700000000, 0.0000290300000000 ] - [ 0.0000779000000000, 0.0000866100000000, 0.0000836800000000 ] - [ -0.0000551400000000, -0.0000350700000000, 0.0000219900000000 ] - [ 0.0000138000000000, 0.0000027000000000, -0.0000097100000000 ] - [ -0.0000191300000000, 0.0000174900000000, -0.0000131800000000 ] - [ 0.0020420300000000, 0.0022623500000000, 0.0020441400000000 ] - [ -0.0001137600000000, 0.0001069700000000, -0.0000290300000000 ] - [ 0.0000138000000000, 0.0000027000000000, 0.0000097100000000 ] - [ -0.0000191300000000, 0.0000174900000000, 0.0000131800000000 ] - [ 0.0000779000000000, 0.0000866100000000, -0.0000836800000000 ] - [ -0.0000551400000000, -0.0000350700000000, -0.0000219900000000 ] - [ 0.0002147100000000, 0.0001573000000000, -0.0001631200000000 ] - [ -0.0001139700000000, -0.0000132400000000, -0.0000082800000000 ] - [ 0.0000206200000000, 0.0000039500000000, -0.0000088700000000 ] - [ -0.0000185600000000, -0.0000035600000000, -0.0000160400000000 ] - [ 0.0000521400000000, -0.0000085300000000, 0.0000550200000000 ] - [ -0.0000762000000000, 0.0000461600000000, 0.0000440300000000 ] - [ 0.0052872200000000, -0.0165395300000000, 0.0000000000000000 ] - [ 0.0019934200000000, 0.0020792100000000, 0.0000000000000000 ] - [ 0.0021378500000000, 0.0020487900000000, 0.0000790900000000 ] - [ 0.0020868000000000, 0.0020823200000000, 0.0000021900000000 ] - [ 0.0021378500000000, 0.0020487900000000, -0.0000790900000000 ] - [ 0.0020868000000000, 0.0020823200000000, -0.0000021900000000 ] - [ -0.0021713100000000, 0.0018268700000000, 0.0000755900000000 ] - [ -0.0020598600000000, 0.0019161300000000, 0.0000160900000000 ] - [ -0.0021713100000000, 0.0018268700000000, -0.0000755900000000 ] - [ -0.0020598600000000, 0.0019161300000000, -0.0000160900000000 ] - [ -0.0021085600000000, 0.0020924800000000, 0.0000000000000000 ] - [ -0.0021041800000000, 0.0020865700000000, 0.0000000000000000 ] - [ 0.0004561600000000, -0.0016715100000000, 0.0000000000000000 ] - [ 0.0038394100000000, -0.0016716300000000, 0.0000000000000000 ] - [ 0.0021043900000000, -0.0022485600000000, -0.0000630600000000 ] - [ 0.0020962100000000, -0.0022483700000000, -0.0000128100000000 ] - [ 0.0021043900000000, -0.0022485600000000, 0.0000630600000000 ] - [ 0.0020962100000000, -0.0022483700000000, 0.0000128100000000 ] - [ -0.0020082800000000, -0.0015539600000000, 0.0018092500000000 ] - [ -0.0021511700000000, -0.0022553200000000, -0.0000162600000000 ] - [ -0.0020082800000000, -0.0015539600000000, -0.0018092500000000 ] - [ -0.0021511700000000, -0.0022553200000000, 0.0000162600000000 ] - [ -0.0020893000000000, -0.0022264900000000, 0.0000000000000000 ] - [ -0.0021121700000000, -0.0022123600000000, 0.0000000000000000 ] - [ 0.0020608100000000, 0.0023052300000000, 0.0000584700000000 ] - [ 0.0021096100000000, 0.0023054100000000, -0.0000079400000000 ] - [ 0.0020608100000000, 0.0023052300000000, -0.0000584700000000 ] - [ 0.0021096100000000, 0.0023054100000000, 0.0000079400000000 ] - [ 0.0020911000000000, 0.0022099900000000, 0.0000000000000000 ] - [ 0.0021005900000000, 0.0022099700000000, 0.0000000000000000 ] - [ -0.0019744400000000, 0.0025601100000000, 0.0000000000000000 ] - [ -0.0021679400000000, 0.0021958900000000, 0.0000000000000000 ] - [ -0.0020674300000000, 0.0022382000000000, -0.0000452000000000 ] - [ -0.0021187500000000, 0.0022240200000000, -0.0000074600000000 ] - [ -0.0020674300000000, 0.0022382000000000, 0.0000452000000000 ] - [ -0.0021187500000000, 0.0022240200000000, 0.0000074600000000 ] - [ 0.0021878000000000, -0.0019381600000000, -0.0002494400000000 ] - [ 0.0020539400000000, -0.0020736900000000, 0.0000263900000000 ] - [ 0.0021878000000000, -0.0019381600000000, 0.0002494400000000 ] - [ 0.0020539400000000, -0.0020736900000000, -0.0000263900000000 ] - [ 0.0021245300000000, -0.0020895300000000, 0.0000000000000000 ] - [ 0.0021029000000000, -0.0020987500000000, 0.0000000000000000 ] - [ -0.0019339500000000, -0.0019679900000000, 0.0000000000000000 ] - [ -0.0023570600000000, -0.0020098300000000, 0.0000000000000000 ] - [ -0.0021140700000000, -0.0020739600000000, 0.0000080100000000 ] - [ -0.0020972700000000, -0.0020824000000000, 0.0000460600000000 ] - [ -0.0021140700000000, -0.0020739600000000, -0.0000080100000000 ] - [ -0.0020972700000000, -0.0020824000000000, -0.0000460600000000 ] - [ -0.0028884200000000, 0.0026676600000000, -0.0027534600000000 ] - [ 0.0000796700000000, 0.0001895700000000, 0.0000477800000000 ] - [ 0.0000995600000000, 0.0002796000000000, 0.0001767900000000 ] - [ -0.0000322300000000, -0.0000040400000000, 0.0000808300000000 ] - [ 0.0000557300000000, 0.0000593100000000, -0.0000784100000000 ] - [ -0.0000241100000000, 0.0000124300000000, -0.0000419400000000 ] - [ -0.0005958500000000, 0.0009150800000000, 0.0009319500000000 ] - [ 0.0000228200000000, 0.0000208000000000, -0.0000264700000000 ] - [ 0.0001543400000000, 0.0000434100000000, -0.0002794800000000 ] - [ 0.0000325100000000, 0.0000999700000000, -0.0001506100000000 ] - [ 0.0000126500000000, -0.0000121400000000, 0.0000693000000000 ] - [ -0.0000286500000000, 0.0000177200000000, 0.0000425600000000 ] - [ -0.0005958500000000, 0.0009150800000000, -0.0009319500000000 ] - [ 0.0000228200000000, 0.0000208000000000, 0.0000264700000000 ] - [ 0.0000126500000000, -0.0000121400000000, -0.0000693000000000 ] - [ -0.0000286500000000, 0.0000177200000000, -0.0000425600000000 ] - [ 0.0001543400000000, 0.0000434100000000, 0.0002794800000000 ] - [ 0.0000325100000000, 0.0000999700000000, 0.0001506100000000 ] - [ -0.0028884200000000, 0.0026676600000000, 0.0027534600000000 ] - [ 0.0000796700000000, 0.0001895700000000, -0.0000477800000000 ] - [ 0.0000557300000000, 0.0000593100000000, 0.0000784100000000 ] - [ -0.0000241100000000, 0.0000124300000000, 0.0000419400000000 ] - [ 0.0000995600000000, 0.0002796000000000, -0.0001767900000000 ] - [ -0.0000322300000000, -0.0000040400000000, -0.0000808300000000 ] - [ -0.0064016800000000, 0.0338603900000000, -0.0005770200000000 ] - [ -0.0068609300000000, 0.0339166900000000, -0.0002074200000000 ] - [ -0.0064016800000000, 0.0338603900000000, 0.0005770200000000 ] - [ -0.0068609300000000, 0.0339166900000000, 0.0002074200000000 ] - [ -0.0066656000000000, 0.0340529300000000, 0.0000000000000000 ] - [ -0.0066634100000000, 0.0340444200000000, 0.0000000000000000 ] - [ 0.0062870800000000, -0.0332996100000000, 0.0000000000000000 ] - [ 0.0040513900000000, -0.0324168100000000, 0.0000000000000000 ] - [ 0.0066758100000000, -0.0339599100000000, -0.0000684300000000 ] - [ 0.0068043900000000, -0.0339449400000000, -0.0002625600000000 ] - [ 0.0066758100000000, -0.0339599100000000, 0.0000684300000000 ] - [ 0.0068043900000000, -0.0339449400000000, 0.0002625600000000 ] - [ -0.0067849800000000, -0.0333428900000000, -0.0006360800000000 ] - [ -0.0066114900000000, -0.0339965700000000, 0.0001130100000000 ] - [ -0.0067849800000000, -0.0333428900000000, 0.0006360800000000 ] - [ -0.0066114900000000, -0.0339965700000000, -0.0001130100000000 ] - [ -0.0067195500000000, -0.0339679400000000, 0.0000000000000000 ] - [ -0.0066645400000000, -0.0339804600000000, 0.0000000000000000 ] - [ 0.0068656600000000, 0.0379342700000000, 0.0000000000000000 ] - [ 0.0066978800000000, 0.0340535800000000, 0.0000000000000000 ] - [ 0.0066295100000000, 0.0340694700000000, 0.0001422500000000 ] - [ 0.0066999400000000, 0.0340314500000000, 0.0001061800000000 ] - [ 0.0066295100000000, 0.0340694700000000, -0.0001422500000000 ] - [ 0.0066999400000000, 0.0340314500000000, -0.0001061800000000 ] - [ -0.0059717400000000, 0.0326024600000000, 0.0000000000000000 ] - [ -0.0065690600000000, 0.0339472400000000, 0.0000000000000000 ] - [ -0.0067368800000000, 0.0338617100000000, -0.0000949700000000 ] - [ -0.0066528200000000, 0.0339466400000000, -0.0000816900000000 ] - [ -0.0067368800000000, 0.0338617100000000, 0.0000949700000000 ] - [ -0.0066528200000000, 0.0339466400000000, 0.0000816900000000 ] - [ 0.0065378000000000, -0.0344462400000000, -0.0004075500000000 ] - [ 0.0067320700000000, -0.0341116600000000, -0.0000539900000000 ] - [ 0.0065378000000000, -0.0344462400000000, 0.0004075500000000 ] - [ 0.0067320700000000, -0.0341116600000000, 0.0000539900000000 ] - [ 0.0066402000000000, -0.0340562400000000, 0.0000000000000000 ] - [ 0.0066934600000000, -0.0340392300000000, 0.0000000000000000 ] - [ -0.0062714200000000, -0.0346689900000000, 0.0000000000000000 ] - [ -0.0068144600000000, -0.0342505100000000, 0.0000000000000000 ] - [ -0.0066382500000000, -0.0341185800000000, 0.0001804100000000 ] - [ -0.0066734000000000, -0.0340760700000000, 0.0000441400000000 ] - [ -0.0066382500000000, -0.0341185800000000, -0.0001804100000000 ] - [ -0.0066734000000000, -0.0340760700000000, -0.0000441400000000 ] - [ 0.0065872600000000, 0.0338853700000000, 0.0000904600000000 ] - [ 0.0070270800000000, 0.0336527300000000, 0.0005122000000000 ] - [ 0.0065872600000000, 0.0338853700000000, -0.0000904600000000 ] - [ 0.0070270800000000, 0.0336527300000000, -0.0005122000000000 ] - [ 0.0067092100000000, 0.0339448900000000, 0.0000000000000000 ] - [ 0.0066568900000000, 0.0339281600000000, 0.0000000000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002140700000000, -0.0001593300000000, -0.0001634700000000 ] - [ 0.0001140600000000, 0.0000123200000000, -0.0000074700000000 ] - [ -0.0000521500000000, 0.0000083500000000, 0.0000552300000000 ] - [ 0.0000767800000000, -0.0000467400000000, 0.0000443000000000 ] - [ -0.0000205600000000, -0.0000041800000000, -0.0000091300000000 ] - [ 0.0000186500000000, 0.0000034600000000, -0.0000162400000000 ] - [ -0.0020202000000000, -0.0022496400000000, 0.0020219500000000 ] - [ 0.0001133600000000, -0.0001065200000000, -0.0000284100000000 ] - [ -0.0000780400000000, -0.0000862400000000, -0.0000835500000000 ] - [ 0.0000551300000000, 0.0000342800000000, -0.0000220700000000 ] - [ -0.0000139400000000, -0.0000024600000000, 0.0000097500000000 ] - [ 0.0000197400000000, -0.0000178100000000, 0.0000134000000000 ] - [ -0.0020202000000000, -0.0022496400000000, -0.0020219500000000 ] - [ 0.0001133600000000, -0.0001065200000000, 0.0000284100000000 ] - [ -0.0000139400000000, -0.0000024600000000, -0.0000097500000000 ] - [ 0.0000197400000000, -0.0000178100000000, -0.0000134000000000 ] - [ -0.0000780400000000, -0.0000862400000000, 0.0000835500000000 ] - [ 0.0000551300000000, 0.0000342800000000, 0.0000220700000000 ] - [ -0.0002140700000000, -0.0001593300000000, 0.0001634700000000 ] - [ 0.0001140600000000, 0.0000123200000000, 0.0000074700000000 ] - [ -0.0000205600000000, -0.0000041800000000, 0.0000091300000000 ] - [ 0.0000186500000000, 0.0000034600000000, 0.0000162400000000 ] - [ -0.0000521500000000, 0.0000083500000000, -0.0000552300000000 ] - [ 0.0000767800000000, -0.0000467400000000, -0.0000443000000000 ] - [ -0.0010412100000000, 0.0209576200000000, 0.0000000000000000 ] - [ 0.0022167200000000, 0.0022306800000000, 0.0000000000000000 ] - [ 0.0020724900000000, 0.0022624900000000, -0.0000785800000000 ] - [ 0.0021243900000000, 0.0022286500000000, -0.0000025900000000 ] - [ 0.0020724900000000, 0.0022624900000000, 0.0000785800000000 ] - [ 0.0021243900000000, 0.0022286500000000, 0.0000025900000000 ] - [ -0.0020399800000000, 0.0024848900000000, -0.0000746700000000 ] - [ -0.0021492500000000, 0.0023953900000000, -0.0000153400000000 ] - [ -0.0020399800000000, 0.0024848900000000, 0.0000746700000000 ] - [ -0.0021492500000000, 0.0023953900000000, 0.0000153400000000 ] - [ -0.0021027600000000, 0.0022179000000000, 0.0000000000000000 ] - [ -0.0021063700000000, 0.0022243000000000, 0.0000000000000000 ] - [ 0.0037658000000000, -0.0026387700000000, 0.0000000000000000 ] - [ 0.0003609000000000, -0.0026387400000000, 0.0000000000000000 ] - [ 0.0021062800000000, -0.0020614200000000, 0.0000633900000000 ] - [ 0.0021147100000000, -0.0020620400000000, 0.0000127900000000 ] - [ 0.0021062800000000, -0.0020614200000000, -0.0000633900000000 ] - [ 0.0021147100000000, -0.0020620400000000, -0.0000127900000000 ] - [ -0.0022033000000000, -0.0027567100000000, -0.0018218000000000 ] - [ -0.0020595500000000, -0.0020544600000000, 0.0000160800000000 ] - [ -0.0022033000000000, -0.0027567100000000, 0.0018218000000000 ] - [ -0.0020595500000000, -0.0020544600000000, -0.0000160800000000 ] - [ -0.0021214300000000, -0.0020834000000000, 0.0000000000000000 ] - [ -0.0020983200000000, -0.0020980000000000, 0.0000000000000000 ] - [ 0.0021499300000000, 0.0020041800000000, -0.0000578300000000 ] - [ 0.0021014900000000, 0.0020043900000000, 0.0000074800000000 ] - [ 0.0021499300000000, 0.0020041800000000, 0.0000578300000000 ] - [ 0.0021014900000000, 0.0020043900000000, -0.0000074800000000 ] - [ 0.0021192400000000, 0.0021004300000000, 0.0000000000000000 ] - [ 0.0021104200000000, 0.0020999900000000, 0.0000000000000000 ] - [ -0.0022361800000000, 0.0017517100000000, 0.0000000000000000 ] - [ -0.0020437700000000, 0.0021125900000000, 0.0000000000000000 ] - [ -0.0021432300000000, 0.0020717500000000, 0.0000453900000000 ] - [ -0.0020916400000000, 0.0020866500000000, 0.0000066400000000 ] - [ -0.0021432300000000, 0.0020717500000000, -0.0000453900000000 ] - [ -0.0020916400000000, 0.0020866500000000, -0.0000066400000000 ] - [ 0.0020226500000000, -0.0023722900000000, 0.0002491400000000 ] - [ 0.0021565100000000, -0.0022371400000000, -0.0000262200000000 ] - [ 0.0020226500000000, -0.0023722900000000, -0.0002491400000000 ] - [ 0.0021565100000000, -0.0022371400000000, 0.0000262200000000 ] - [ 0.0020859400000000, -0.0022212400000000, 0.0000000000000000 ] - [ 0.0021082400000000, -0.0022118800000000, 0.0000000000000000 ] - [ -0.0022755600000000, -0.0023411300000000, 0.0000000000000000 ] - [ -0.0018541700000000, -0.0023011100000000, 0.0000000000000000 ] - [ -0.0020969400000000, -0.0022369000000000, -0.0000084700000000 ] - [ -0.0021129500000000, -0.0022284500000000, -0.0000455900000000 ] - [ -0.0020969400000000, -0.0022369000000000, 0.0000084700000000 ] - [ -0.0021129500000000, -0.0022284500000000, 0.0000455900000000 ] - [ 0.0028425200000000, -0.0026336800000000, 0.0027056500000000 ] - [ -0.0000785300000000, -0.0001923400000000, -0.0000437000000000 ] - [ -0.0000945100000000, -0.0002828100000000, -0.0001794300000000 ] - [ 0.0000322900000000, 0.0000024600000000, -0.0000818300000000 ] - [ -0.0000575300000000, -0.0000595000000000, 0.0000779600000000 ] - [ 0.0000232300000000, -0.0000126200000000, 0.0000426900000000 ] - [ 0.0005907200000000, -0.0009290900000000, -0.0009276800000000 ] - [ -0.0000226900000000, -0.0000205000000000, 0.0000237800000000 ] - [ -0.0001566100000000, -0.0000468800000000, 0.0002819100000000 ] - [ -0.0000328800000000, -0.0001010800000000, 0.0001518200000000 ] - [ -0.0000136700000000, 0.0000122300000000, -0.0000703800000000 ] - [ 0.0000285100000000, -0.0000168700000000, -0.0000424500000000 ] - [ 0.0005907200000000, -0.0009290900000000, 0.0009276800000000 ] - [ -0.0000226900000000, -0.0000205000000000, -0.0000237800000000 ] - [ -0.0000136700000000, 0.0000122300000000, 0.0000703800000000 ] - [ 0.0000285100000000, -0.0000168700000000, 0.0000424500000000 ] - [ -0.0001566100000000, -0.0000468800000000, -0.0002819100000000 ] - [ -0.0000328800000000, -0.0001010800000000, -0.0001518200000000 ] - [ 0.0028425200000000, -0.0026336800000000, -0.0027056500000000 ] - [ -0.0000785300000000, -0.0001923400000000, 0.0000437000000000 ] - [ -0.0000575300000000, -0.0000595000000000, -0.0000779600000000 ] - [ 0.0000232300000000, -0.0000126200000000, -0.0000426900000000 ] - [ -0.0000945100000000, -0.0002828100000000, 0.0001794300000000 ] - [ 0.0000322900000000, 0.0000024600000000, 0.0000818300000000 ] - [ -0.0069594200000000, 0.0341435600000000, 0.0005805700000000 ] - [ -0.0064993000000000, 0.0340816400000000, 0.0002088700000000 ] - [ -0.0069594200000000, 0.0341435600000000, -0.0005805700000000 ] - [ -0.0064993000000000, 0.0340816400000000, -0.0002088700000000 ] - [ -0.0066927500000000, 0.0339487200000000, 0.0000000000000000 ] - [ -0.0066975800000000, 0.0339524700000000, 0.0000000000000000 ] - [ 0.0070773500000000, -0.0346877600000000, 0.0000000000000000 ] - [ 0.0093006600000000, -0.0355851200000000, 0.0000000000000000 ] - [ 0.0066848600000000, -0.0340401900000000, 0.0000688800000000 ] - [ 0.0065552400000000, -0.0340543600000000, 0.0002656700000000 ] - [ 0.0066848600000000, -0.0340401900000000, -0.0000688800000000 ] - [ 0.0065552400000000, -0.0340543600000000, -0.0002656700000000 ] - [ -0.0065830400000000, -0.0346493100000000, 0.0006314500000000 ] - [ -0.0067471700000000, -0.0340013600000000, -0.0001153900000000 ] - [ -0.0065830400000000, -0.0346493100000000, -0.0006314500000000 ] - [ -0.0067471700000000, -0.0340013600000000, 0.0001153900000000 ] - [ -0.0066455400000000, -0.0340278500000000, 0.0000000000000000 ] - [ -0.0066950500000000, -0.0340199800000000, 0.0000000000000000 ] - [ 0.0065220300000000, 0.0298445900000000, 0.0000000000000000 ] - [ 0.0066611300000000, 0.0339490800000000, 0.0000000000000000 ] - [ 0.0067315500000000, 0.0339296900000000, -0.0001436300000000 ] - [ 0.0066616600000000, 0.0339662400000000, -0.0001062700000000 ] - [ 0.0067315500000000, 0.0339296900000000, 0.0001436300000000 ] - [ 0.0066616600000000, 0.0339662400000000, 0.0001062700000000 ] - [ -0.0073908500000000, 0.0354172200000000, 0.0000000000000000 ] - [ -0.0067895100000000, 0.0340541700000000, 0.0000000000000000 ] - [ -0.0066245900000000, 0.0341370900000000, 0.0000977500000000 ] - [ -0.0067123300000000, 0.0340462400000000, 0.0000819900000000 ] - [ -0.0066245900000000, 0.0341370900000000, -0.0000977500000000 ] - [ -0.0067123300000000, 0.0340462400000000, -0.0000819900000000 ] - [ 0.0068246600000000, -0.0335499600000000, 0.0004067500000000 ] - [ 0.0066300800000000, -0.0338829300000000, 0.0000523000000000 ] - [ 0.0068246600000000, -0.0335499600000000, -0.0004067500000000 ] - [ 0.0066300800000000, -0.0338829300000000, -0.0000523000000000 ] - [ 0.0067227500000000, -0.0339386300000000, 0.0000000000000000 ] - [ 0.0066698000000000, -0.0339550300000000, 0.0000000000000000 ] - [ -0.0070842100000000, -0.0333294600000000, 0.0000000000000000 ] - [ -0.0065426000000000, -0.0337485900000000, 0.0000000000000000 ] - [ -0.0067239700000000, -0.0338773800000000, -0.0001811900000000 ] - [ -0.0066881000000000, -0.0339224500000000, -0.0000442600000000 ] - [ -0.0067239700000000, -0.0338773800000000, 0.0001811900000000 ] - [ -0.0066881000000000, -0.0339224500000000, 0.0000442600000000 ] - [ 0.0067713400000000, 0.0341143800000000, -0.0000907100000000 ] - [ 0.0063374800000000, 0.0343462400000000, -0.0005085700000000 ] - [ 0.0067713400000000, 0.0341143800000000, 0.0000907100000000 ] - [ 0.0063374800000000, 0.0343462400000000, 0.0005085700000000 ] - [ 0.0066521600000000, 0.0340525100000000, 0.0000000000000000 ] - [ 0.0067044400000000, 0.0340708700000000, 0.0000000000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000198100000000, 0.0000539400000000, -0.0000455100000000 ] - [ -0.0000117300000000, -0.0000069700000000, -0.0000644700000000 ] - [ -0.0000005500000000, -0.0000384700000000, 0.0000199700000000 ] - [ 0.0000210000000000, 0.0000075500000000, 0.0000380300000000 ] - [ 0.0000065100000000, 0.0000019600000000, 0.0000323500000000 ] - [ -0.0000014100000000, -0.0000004400000000, 0.0000274100000000 ] - [ -0.0013308700000000, -0.0020619900000000, 0.0003030000000000 ] - [ 0.0000503900000000, 0.0000799900000000, -0.0000520800000000 ] - [ 0.0002602700000000, 0.0001238900000000, 0.0002018800000000 ] - [ -0.0000865100000000, -0.0000388700000000, 0.0000137900000000 ] - [ -0.0000393500000000, 0.0000320200000000, 0.0000733700000000 ] - [ 0.0000406700000000, -0.0000499700000000, 0.0000534800000000 ] - [ 0.0013375600000000, 0.0020707900000000, 0.0002940200000000 ] - [ -0.0000503200000000, -0.0000797000000000, -0.0000518100000000 ] - [ 0.0000386800000000, -0.0000318000000000, 0.0000728100000000 ] - [ -0.0000404700000000, 0.0000499000000000, 0.0000534300000000 ] - [ -0.0002616000000000, -0.0001224200000000, 0.0001996600000000 ] - [ 0.0000872900000000, 0.0000381900000000, 0.0000132300000000 ] - [ 0.0000204900000000, -0.0000542600000000, -0.0000470100000000 ] - [ 0.0000116000000000, 0.0000069200000000, -0.0000651700000000 ] - [ -0.0000073800000000, -0.0000024600000000, 0.0000322500000000 ] - [ 0.0000013200000000, 0.0000005900000000, 0.0000275900000000 ] - [ 0.0000006700000000, 0.0000379700000000, 0.0000199400000000 ] - [ -0.0000214100000000, -0.0000077200000000, 0.0000376200000000 ] - [ 0.0021173300000000, 0.0020805700000000, -0.0125781700000000 ] - [ 0.0021067700000000, 0.0021529200000000, 0.0000348300000000 ] - [ 0.0021572300000000, 0.0020754500000000, 0.0003157900000000 ] - [ 0.0020705800000000, 0.0021504400000000, 0.0000035900000000 ] - [ 0.0020550000000000, 0.0022330300000000, 0.0003157400000000 ] - [ 0.0021437300000000, 0.0021564900000000, 0.0000035900000000 ] - [ -0.0029358600000000, 0.0020784400000000, 0.0004493900000000 ] - [ -0.0014636200000000, 0.0021371200000000, 0.0002229900000000 ] - [ -0.0012690700000000, 0.0022287000000000, 0.0004527400000000 ] - [ -0.0027546500000000, 0.0021694900000000, 0.0002274000000000 ] - [ -0.0021065900000000, 0.0021530700000000, 0.0000487000000000 ] - [ -0.0021066800000000, 0.0021536000000000, 0.0001313800000000 ] - [ 0.0021030400000000, -0.0021508200000000, -0.0005342400000000 ] - [ 0.0021109800000000, -0.0021509900000000, -0.0005333400000000 ] - [ 0.0021295400000000, -0.0021672000000000, 0.0000473400000000 ] - [ 0.0020770800000000, -0.0022165300000000, 0.0000483100000000 ] - [ 0.0020838200000000, -0.0021394200000000, 0.0000472800000000 ] - [ 0.0021361100000000, -0.0020896800000000, 0.0000481300000000 ] - [ -0.0020983800000000, -0.0003472100000000, 0.0017810700000000 ] - [ -0.0021086500000000, -0.0021695400000000, -0.0000197000000000 ] - [ -0.0021159100000000, -0.0039787000000000, 0.0017943600000000 ] - [ -0.0021053900000000, -0.0021362800000000, -0.0000201200000000 ] - [ -0.0021065000000000, -0.0021530500000000, 0.0000604200000000 ] - [ -0.0021070100000000, -0.0021532600000000, 0.0000385200000000 ] - [ 0.0021404600000000, 0.0021610300000000, -0.0000200700000000 ] - [ 0.0020835200000000, 0.0020956600000000, -0.0000202700000000 ] - [ 0.0020727700000000, 0.0021454300000000, -0.0000199400000000 ] - [ 0.0021301100000000, 0.0022108800000000, -0.0000205600000000 ] - [ 0.0021066700000000, 0.0021533800000000, 0.0000462200000000 ] - [ 0.0021067700000000, 0.0021534500000000, 0.0000452600000000 ] - [ -0.0021070300000000, 0.0021539400000000, 0.0000226700000000 ] - [ -0.0021072400000000, 0.0021530700000000, -0.0000714900000000 ] - [ -0.0020958200000000, 0.0021987400000000, 0.0000073500000000 ] - [ -0.0021117200000000, 0.0021605300000000, 0.0000363500000000 ] - [ -0.0021173000000000, 0.0021075500000000, 0.0000078900000000 ] - [ -0.0021019000000000, 0.0021461900000000, 0.0000362500000000 ] - [ 0.0020614100000000, -0.0024018100000000, -0.0000734100000000 ] - [ 0.0021847100000000, -0.0021266700000000, -0.0000181600000000 ] - [ 0.0021519000000000, -0.0019036800000000, -0.0000720800000000 ] - [ 0.0020282700000000, -0.0021795200000000, -0.0000181500000000 ] - [ 0.0021061200000000, -0.0021536100000000, 0.0001233700000000 ] - [ 0.0021076100000000, -0.0021531200000000, 0.0000343300000000 ] - [ -0.0021071800000000, -0.0021529400000000, -0.0000560200000000 ] - [ -0.0021075500000000, -0.0021519700000000, -0.0001574900000000 ] - [ -0.0020644500000000, -0.0021450500000000, 0.0000203800000000 ] - [ -0.0021483900000000, -0.0021078400000000, 0.0000877500000000 ] - [ -0.0021491200000000, -0.0021617900000000, 0.0000213000000000 ] - [ -0.0020640300000000, -0.0021994600000000, 0.0000876600000000 ] - [ 0.0022715500000000, -0.0027206100000000, -0.0005552500000000 ] - [ 0.0000234000000000, 0.0002469000000000, -0.0003156100000000 ] - [ -0.0008069600000000, 0.0007225700000000, 0.0009615400000000 ] - [ 0.0000783300000000, -0.0000616000000000, 0.0000018700000000 ] - [ -0.0000036400000000, 0.0000240900000000, 0.0003836100000000 ] - [ -0.0000187200000000, -0.0000443400000000, 0.0002075300000000 ] - [ 0.0003191500000000, 0.0000469400000000, -0.0003462000000000 ] - [ 0.0000005700000000, 0.0000138600000000, -0.0002252100000000 ] - [ -0.0001312900000000, -0.0001060800000000, 0.0000610400000000 ] - [ -0.0000435500000000, -0.0000499600000000, 0.0001384600000000 ] - [ -0.0000490400000000, 0.0000355800000000, 0.0001751700000000 ] - [ 0.0000052600000000, -0.0000066600000000, 0.0001170800000000 ] - [ -0.0003243500000000, -0.0000450900000000, -0.0003518800000000 ] - [ -0.0000015400000000, -0.0000146500000000, -0.0002267900000000 ] - [ 0.0000516200000000, -0.0000359100000000, 0.0001741700000000 ] - [ -0.0000028300000000, 0.0000054600000000, 0.0001187200000000 ] - [ 0.0001307900000000, 0.0001036400000000, 0.0000593300000000 ] - [ 0.0000434300000000, 0.0000490400000000, 0.0001369100000000 ] - [ -0.0022871400000000, 0.0027345900000000, -0.0005593900000000 ] - [ -0.0000241700000000, -0.0002486200000000, -0.0003165400000000 ] - [ 0.0000017800000000, -0.0000234000000000, 0.0003822100000000 ] - [ 0.0000199700000000, 0.0000411000000000, 0.0002058400000000 ] - [ 0.0008185500000000, -0.0007307000000000, 0.0009621000000000 ] - [ -0.0000793800000000, 0.0000609000000000, 0.0000023900000000 ] - [ -0.0066027100000000, 0.0336386800000000, -0.0000515000000000 ] - [ -0.0068645100000000, 0.0337820000000000, -0.0000174300000000 ] - [ -0.0067565700000000, 0.0343608000000000, -0.0000510600000000 ] - [ -0.0064948500000000, 0.0342175700000000, -0.0000167200000000 ] - [ -0.0066770900000000, 0.0340011900000000, -0.0001249500000000 ] - [ -0.0066793900000000, 0.0339969800000000, -0.0001241800000000 ] - [ 0.0066791000000000, -0.0339979100000000, 0.0013066400000000 ] - [ 0.0067013400000000, -0.0340031500000000, 0.0010129700000000 ] - [ 0.0065340200000000, -0.0340615500000000, -0.0001805100000000 ] - [ 0.0069922700000000, -0.0339929200000000, -0.0005080800000000 ] - [ 0.0068213400000000, -0.0339354600000000, -0.0001785900000000 ] - [ 0.0063653600000000, -0.0340039400000000, -0.0005078300000000 ] - [ -0.0071886400000000, -0.0337118300000000, 0.0019431500000000 ] - [ -0.0067031800000000, -0.0340265600000000, 0.0001670100000000 ] - [ -0.0062090800000000, -0.0342256500000000, 0.0020808700000000 ] - [ -0.0066528800000000, -0.0339705300000000, 0.0001665300000000 ] - [ -0.0066750800000000, -0.0340020300000000, -0.0002939400000000 ] - [ -0.0066806600000000, -0.0339978000000000, -0.0002386700000000 ] - [ 0.0066817200000000, 0.0339977900000000, 0.0011412900000000 ] - [ 0.0066791300000000, 0.0340002700000000, 0.0001450600000000 ] - [ 0.0066006400000000, 0.0341444700000000, -0.0001947500000000 ] - [ 0.0066968000000000, 0.0340130300000000, -0.0000800100000000 ] - [ 0.0067552100000000, 0.0338569100000000, -0.0001914700000000 ] - [ 0.0066636600000000, 0.0339841600000000, -0.0000799900000000 ] - [ -0.0066806100000000, 0.0339957800000000, 0.0009898000000000 ] - [ -0.0066758300000000, 0.0340017300000000, 0.0001633300000000 ] - [ -0.0066893700000000, 0.0336607800000000, -0.0005564600000000 ] - [ -0.0066353400000000, 0.0340071300000000, -0.0000898400000000 ] - [ -0.0066665800000000, 0.0343438100000000, -0.0005593200000000 ] - [ -0.0067216200000000, 0.0339900400000000, -0.0000885500000000 ] - [ 0.0066732300000000, -0.0339596400000000, 0.0001762100000000 ] - [ 0.0066533900000000, -0.0339921300000000, 0.0000537800000000 ] - [ 0.0066861900000000, -0.0340363100000000, 0.0001773000000000 ] - [ 0.0067086300000000, -0.0340040000000000, 0.0000545100000000 ] - [ 0.0066775300000000, -0.0340008000000000, -0.0001948200000000 ] - [ 0.0066798000000000, -0.0339973100000000, -0.0000952700000000 ] - [ -0.0066792200000000, -0.0339974000000000, 0.0000937800000000 ] - [ -0.0066794300000000, -0.0339989200000000, 0.0001709100000000 ] - [ -0.0066810500000000, -0.0339705300000000, -0.0000878600000000 ] - [ -0.0066571100000000, -0.0340190700000000, -0.0000947300000000 ] - [ -0.0066798300000000, -0.0340255300000000, -0.0000866000000000 ] - [ -0.0067041400000000, -0.0339764600000000, -0.0000944000000000 ] - [ 0.0069171700000000, 0.0340534700000000, 0.0001040800000000 ] - [ 0.0060715800000000, 0.0345507000000000, 0.0002260900000000 ] - [ 0.0064398400000000, 0.0339429900000000, 0.0001035400000000 ] - [ 0.0072929100000000, 0.0334436400000000, 0.0002230400000000 ] - [ 0.0066797300000000, 0.0340004500000000, -0.0001524500000000 ] - [ 0.0066758600000000, 0.0339982900000000, -0.0003539700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001205800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000937900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001256300000000, 0.0000059600000000, -0.0000002200000000 ] - [ 0.0000541500000000, -0.0000119700000000, -0.0000000300000000 ] - [ -0.0001256300000000, -0.0000059600000000, 0.0000002200000000 ] - [ 0.0000541500000000, 0.0000119700000000, 0.0000000300000000 ] - [ 0.0053755100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0052630700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000026900000000, -0.0000921400000000, 0.0000572000000000 ] - [ 0.0000008300000000, -0.0000940400000000, -0.0000574400000000 ] - [ 0.0000026900000000, 0.0000921400000000, -0.0000572000000000 ] - [ 0.0000008300000000, 0.0000940400000000, 0.0000574400000000 ] - [ 0.0007476100000000, -0.0004452700000000, 0.0006044100000000 ] - [ 0.0007443700000000, -0.0004529400000000, -0.0006026300000000 ] - [ 0.0000106600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000094400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007476100000000, 0.0004452700000000, -0.0006044100000000 ] - [ 0.0007443700000000, 0.0004529400000000, 0.0006026300000000 ] - [ -0.0001377400000000, 0.0001147900000000, 0.0000001600000000 ] - [ 0.0000671500000000, -0.0000256000000000, -0.0000002400000000 ] - [ -0.0000657100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000505400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001377400000000, -0.0001147900000000, -0.0000001600000000 ] - [ 0.0000671500000000, 0.0000256000000000, 0.0000002400000000 ] - [ 0.0023474700000000, -0.0007260400000000, 0.0022866600000000 ] - [ 0.0027123600000000, 0.0022308900000000, 0.0000254000000000 ] - [ 0.0021577600000000, 0.0022085800000000, -0.0000023500000000 ] - [ 0.0021039000000000, 0.0021287100000000, -0.0000184900000000 ] - [ 0.0022851700000000, 0.0022488400000000, -0.0008139600000000 ] - [ 0.0020894300000000, 0.0021200700000000, 0.0000794500000000 ] - [ -0.0015034700000000, 0.0020724700000000, 0.0000220000000000 ] - [ -0.0018687500000000, 0.0050054600000000, 0.0022723600000000 ] - [ -0.0021223800000000, 0.0021846800000000, 0.0000785100000000 ] - [ -0.0019352600000000, 0.0020523000000000, -0.0008122200000000 ] - [ -0.0021089400000000, 0.0021764200000000, -0.0000188200000000 ] - [ -0.0020560100000000, 0.0020953100000000, -0.0000049000000000 ] - [ 0.0021317600000000, -0.0021752200000000, 0.0000002200000000 ] - [ 0.0022374100000000, -0.0015595300000000, 0.0003225100000000 ] - [ 0.0021370300000000, -0.0021233800000000, 0.0000048400000000 ] - [ 0.0020630600000000, -0.0021651700000000, -0.0000506700000000 ] - [ 0.0022451200000000, -0.0021838500000000, -0.0000438300000000 ] - [ 0.0019370600000000, -0.0023090000000000, -0.0001307500000000 ] - [ -0.0019720700000000, -0.0027443100000000, 0.0003204700000000 ] - [ -0.0020818200000000, -0.0021293000000000, 0.0000002400000000 ] - [ -0.0022769700000000, -0.0019975900000000, -0.0001303000000000 ] - [ -0.0019674600000000, -0.0021192000000000, -0.0000443500000000 ] - [ -0.0021513400000000, -0.0021401000000000, -0.0000501700000000 ] - [ -0.0020770000000000, -0.0021813600000000, 0.0000042100000000 ] - [ 0.0021317600000000, 0.0021752200000000, -0.0000002200000000 ] - [ 0.0022374100000000, 0.0015595300000000, -0.0003225100000000 ] - [ 0.0022451200000000, 0.0021838500000000, 0.0000438300000000 ] - [ 0.0019370600000000, 0.0023090000000000, 0.0001307500000000 ] - [ 0.0021370300000000, 0.0021233800000000, -0.0000048400000000 ] - [ 0.0020630600000000, 0.0021651700000000, 0.0000506700000000 ] - [ -0.0019720700000000, 0.0027443100000000, -0.0003204700000000 ] - [ -0.0020818200000000, 0.0021293000000000, -0.0000002400000000 ] - [ -0.0021513400000000, 0.0021401000000000, 0.0000501700000000 ] - [ -0.0020770000000000, 0.0021813600000000, -0.0000042100000000 ] - [ -0.0022769700000000, 0.0019975900000000, 0.0001303000000000 ] - [ -0.0019674600000000, 0.0021192000000000, 0.0000443500000000 ] - [ 0.0023474700000000, 0.0007260400000000, -0.0022866600000000 ] - [ 0.0027123600000000, -0.0022308900000000, -0.0000254000000000 ] - [ 0.0022851700000000, -0.0022488400000000, 0.0008139600000000 ] - [ 0.0020894300000000, -0.0021200700000000, -0.0000794500000000 ] - [ 0.0021577600000000, -0.0022085800000000, 0.0000023500000000 ] - [ 0.0021039000000000, -0.0021287100000000, 0.0000184900000000 ] - [ -0.0015034700000000, -0.0020724700000000, -0.0000220000000000 ] - [ -0.0018687500000000, -0.0050054600000000, -0.0022723600000000 ] - [ -0.0021089400000000, -0.0021764200000000, 0.0000188200000000 ] - [ -0.0020560100000000, -0.0020953100000000, 0.0000049000000000 ] - [ -0.0021223800000000, -0.0021846800000000, -0.0000785100000000 ] - [ -0.0019352600000000, -0.0020523000000000, 0.0008122200000000 ] - [ -0.0617274900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004888400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001894300000000, -0.0000102700000000, 0.0000034200000000 ] - [ -0.0000243200000000, -0.0002635700000000, -0.0000037200000000 ] - [ 0.0001894300000000, 0.0000102700000000, -0.0000034200000000 ] - [ -0.0000243200000000, 0.0002635700000000, 0.0000037200000000 ] - [ -0.0001381800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001401800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002146600000000, 0.0000887900000000, 0.0002285300000000 ] - [ 0.0002158600000000, 0.0000896900000000, -0.0002283000000000 ] - [ 0.0002146600000000, -0.0000887900000000, -0.0002285300000000 ] - [ 0.0002158600000000, -0.0000896900000000, 0.0002283000000000 ] - [ 0.0001117800000000, 0.0000833500000000, -0.0001332900000000 ] - [ 0.0001120100000000, 0.0000848400000000, 0.0001333600000000 ] - [ 0.0000424900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000409900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001117800000000, -0.0000833500000000, 0.0001332900000000 ] - [ 0.0001120100000000, -0.0000848400000000, -0.0001333600000000 ] - [ -0.0062308300000000, -0.0056256400000000, -0.0000124000000000 ] - [ 0.0002569200000000, 0.0004002100000000, 0.0000002600000000 ] - [ -0.0000990300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000848500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0062308300000000, 0.0056256400000000, 0.0000124000000000 ] - [ 0.0002569200000000, -0.0004002100000000, -0.0000002600000000 ] - [ -0.0068576900000000, 0.0342130200000000, -0.0000761700000000 ] - [ -0.0065493700000000, 0.0341654400000000, -0.0001804700000000 ] - [ -0.0068075500000000, 0.0339047000000000, -0.0000049600000000 ] - [ -0.0068418600000000, 0.0336195100000000, 0.0003654600000000 ] - [ -0.0067646900000000, 0.0339708300000000, 0.0000359900000000 ] - [ -0.0066485600000000, 0.0340727200000000, -0.0001061200000000 ] - [ 0.0058989200000000, -0.0339781900000000, -0.0002617300000000 ] - [ 0.0203107400000000, -0.0252694900000000, -0.0077929800000000 ] - [ 0.0067335800000000, -0.0339659300000000, 0.0000921600000000 ] - [ 0.0067906500000000, -0.0337910000000000, -0.0000384300000000 ] - [ 0.0063811700000000, -0.0342711200000000, 0.0001041400000000 ] - [ 0.0077707300000000, -0.0350580300000000, 0.0001362900000000 ] - [ 0.0070896300000000, -0.0429596900000000, -0.0080542300000000 ] - [ -0.0074624000000000, -0.0340172200000000, -0.0002598200000000 ] - [ -0.0055991900000000, -0.0329378600000000, 0.0001236600000000 ] - [ -0.0069835900000000, -0.0337237600000000, 0.0001071200000000 ] - [ -0.0065769600000000, -0.0342000900000000, -0.0000402900000000 ] - [ -0.0066292600000000, -0.0340315400000000, 0.0000860100000000 ] - [ 0.0068148000000000, 0.0338319300000000, -0.0001790300000000 ] - [ 0.0065090800000000, 0.0337804300000000, -0.0000748800000000 ] - [ 0.0067153100000000, 0.0339225800000000, -0.0001055300000000 ] - [ 0.0065999400000000, 0.0340245900000000, 0.0000361900000000 ] - [ 0.0065235900000000, 0.0343726200000000, 0.0003651700000000 ] - [ 0.0065583400000000, 0.0340902000000000, -0.0000040500000000 ] - [ 0.0070896300000000, 0.0429596900000000, 0.0080542300000000 ] - [ -0.0074624000000000, 0.0340172200000000, 0.0002598200000000 ] - [ -0.0065769600000000, 0.0342000900000000, 0.0000402900000000 ] - [ -0.0066292600000000, 0.0340315400000000, -0.0000860100000000 ] - [ -0.0055991900000000, 0.0329378600000000, -0.0001236600000000 ] - [ -0.0069835900000000, 0.0337237600000000, -0.0001071200000000 ] - [ 0.0068148000000000, -0.0338319300000000, 0.0001790300000000 ] - [ 0.0065090800000000, -0.0337804300000000, 0.0000748800000000 ] - [ 0.0065235900000000, -0.0343726200000000, -0.0003651700000000 ] - [ 0.0065583400000000, -0.0340902000000000, 0.0000040500000000 ] - [ 0.0067153100000000, -0.0339225800000000, 0.0001055300000000 ] - [ 0.0065999400000000, -0.0340245900000000, -0.0000361900000000 ] - [ -0.0068576900000000, -0.0342130200000000, 0.0000761700000000 ] - [ -0.0065493700000000, -0.0341654400000000, 0.0001804700000000 ] - [ -0.0067646900000000, -0.0339708300000000, -0.0000359900000000 ] - [ -0.0066485600000000, -0.0340727200000000, 0.0001061200000000 ] - [ -0.0068075500000000, -0.0339047000000000, 0.0000049600000000 ] - [ -0.0068418600000000, -0.0336195100000000, -0.0003654600000000 ] - [ 0.0058989200000000, 0.0339781900000000, 0.0002617300000000 ] - [ 0.0203107400000000, 0.0252694900000000, 0.0077929800000000 ] - [ 0.0063811700000000, 0.0342711200000000, -0.0001041400000000 ] - [ 0.0077707300000000, 0.0350580300000000, -0.0001362900000000 ] - [ 0.0067335800000000, 0.0339659300000000, -0.0000921600000000 ] - [ 0.0067906500000000, 0.0337910000000000, 0.0000384300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000762200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000271300000000, 0.0000000000000000 ] - [ -0.0000420600000000, -0.0000183300000000, -0.0000002600000000 ] - [ 0.0000079200000000, -0.0000023500000000, -0.0000001800000000 ] - [ 0.0000420600000000, -0.0000183300000000, 0.0000002600000000 ] - [ -0.0000079200000000, -0.0000023500000000, 0.0000001800000000 ] - [ -0.0000098400000000, -0.0013077000000000, -0.0013970300000000 ] - [ 0.0000098400000000, -0.0013077000000000, 0.0013970300000000 ] - [ -0.0000201900000000, -0.0001152600000000, 0.0001389900000000 ] - [ -0.0000219200000000, -0.0001165800000000, -0.0001388600000000 ] - [ 0.0000219200000000, -0.0001165800000000, 0.0001388600000000 ] - [ 0.0000201900000000, -0.0001152600000000, -0.0001389900000000 ] - [ 0.0006201000000000, -0.0010321300000000, 0.0004364200000000 ] - [ 0.0006188500000000, -0.0010374000000000, -0.0004351200000000 ] - [ 0.0000006300000000, -0.0000192900000000, -0.0000147000000000 ] - [ -0.0000006300000000, -0.0000192900000000, 0.0000147000000000 ] - [ -0.0006188500000000, -0.0010374000000000, 0.0004351200000000 ] - [ -0.0006201000000000, -0.0010321300000000, -0.0004364200000000 ] - [ -0.0000070800000000, 0.0000224400000000, -0.0000000600000000 ] - [ 0.0000213200000000, -0.0000208900000000, -0.0000001300000000 ] - [ 0.0000000000000000, -0.0000184100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000090400000000, 0.0000000000000000 ] - [ 0.0000070800000000, 0.0000224400000000, 0.0000000600000000 ] - [ -0.0000213200000000, -0.0000208900000000, 0.0000001300000000 ] - [ -0.0007555700000000, 0.0047813200000000, -0.0027068000000000 ] - [ 0.0027487200000000, 0.0023414600000000, 0.0002491300000000 ] - [ 0.0021681500000000, 0.0022104300000000, 0.0000241400000000 ] - [ 0.0020970400000000, 0.0021646400000000, -0.0000425400000000 ] - [ 0.0023742200000000, 0.0024303900000000, 0.0007266700000000 ] - [ 0.0020665000000000, 0.0021475300000000, -0.0000630900000000 ] - [ -0.0027487200000000, 0.0023414600000000, -0.0002491300000000 ] - [ 0.0007555700000000, 0.0047813200000000, 0.0027068000000000 ] - [ -0.0020665000000000, 0.0021475300000000, 0.0000630900000000 ] - [ -0.0023742200000000, 0.0024303900000000, -0.0007266700000000 ] - [ -0.0020970400000000, 0.0021646400000000, 0.0000425400000000 ] - [ -0.0021681500000000, 0.0022104300000000, -0.0000241400000000 ] - [ 0.0020372800000000, -0.0021360300000000, -0.0000145100000000 ] - [ 0.0021830500000000, -0.0012350800000000, -0.0000451600000000 ] - [ 0.0021207900000000, -0.0021388900000000, 0.0000060200000000 ] - [ 0.0020779300000000, -0.0021687100000000, -0.0000365800000000 ] - [ 0.0020191100000000, -0.0020553300000000, 0.0000495200000000 ] - [ 0.0021190500000000, -0.0021123800000000, 0.0001052300000000 ] - [ -0.0021830500000000, -0.0012350800000000, 0.0000451600000000 ] - [ -0.0020372800000000, -0.0021360300000000, 0.0000145100000000 ] - [ -0.0021190500000000, -0.0021123800000000, -0.0001052300000000 ] - [ -0.0020191100000000, -0.0020553300000000, -0.0000495200000000 ] - [ -0.0020779300000000, -0.0021687100000000, 0.0000365800000000 ] - [ -0.0021207900000000, -0.0021388900000000, -0.0000060200000000 ] - [ 0.0021723800000000, 0.0021743500000000, -0.0000144900000000 ] - [ 0.0020244500000000, 0.0030724700000000, -0.0000479700000000 ] - [ 0.0021895300000000, 0.0022525600000000, 0.0000482900000000 ] - [ 0.0020909700000000, 0.0021978700000000, 0.0001044500000000 ] - [ 0.0020893100000000, 0.0021698600000000, 0.0000062000000000 ] - [ 0.0021324100000000, 0.0021397200000000, -0.0000361200000000 ] - [ -0.0020244500000000, 0.0030724700000000, 0.0000479700000000 ] - [ -0.0021723800000000, 0.0021743500000000, 0.0000144900000000 ] - [ -0.0021324100000000, 0.0021397200000000, 0.0000361200000000 ] - [ -0.0020893100000000, 0.0021698600000000, -0.0000062000000000 ] - [ -0.0020909700000000, 0.0021978700000000, -0.0001044500000000 ] - [ -0.0021895300000000, 0.0022525600000000, -0.0000482900000000 ] - [ 0.0050112600000000, 0.0005167900000000, -0.0027490400000000 ] - [ 0.0014636300000000, -0.0019629600000000, 0.0002471600000000 ] - [ 0.0018393100000000, -0.0018720200000000, 0.0007276100000000 ] - [ 0.0021424100000000, -0.0021599600000000, -0.0000619400000000 ] - [ 0.0020422300000000, -0.0020964700000000, 0.0000224800000000 ] - [ 0.0021121200000000, -0.0021437300000000, -0.0000420900000000 ] - [ -0.0014636300000000, -0.0019629600000000, -0.0002471600000000 ] - [ -0.0050112600000000, 0.0005167900000000, 0.0027490400000000 ] - [ -0.0021121200000000, -0.0021437300000000, 0.0000420900000000 ] - [ -0.0020422300000000, -0.0020964700000000, -0.0000224800000000 ] - [ -0.0021424100000000, -0.0021599600000000, 0.0000619400000000 ] - [ -0.0018393100000000, -0.0018720200000000, -0.0007276100000000 ] - [ 0.0000000000000000, -0.0617560600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005781700000000, 0.0000000000000000 ] - [ 0.0000115200000000, 0.0001146600000000, 0.0000049100000000 ] - [ 0.0002653100000000, -0.0009294000000000, -0.0000011800000000 ] - [ -0.0000115200000000, 0.0001146600000000, -0.0000049100000000 ] - [ -0.0002653100000000, -0.0009294000000000, 0.0000011800000000 ] - [ 0.0000030500000000, 0.0000913100000000, 0.0001076000000000 ] - [ -0.0000030500000000, 0.0000913100000000, -0.0001076000000000 ] - [ 0.0000892100000000, 0.0000069500000000, 0.0000607300000000 ] - [ 0.0000926400000000, 0.0000055300000000, -0.0000631100000000 ] - [ -0.0000926400000000, 0.0000055300000000, 0.0000631100000000 ] - [ -0.0000892100000000, 0.0000069500000000, -0.0000607300000000 ] - [ -0.0000825400000000, 0.0000777600000000, -0.0001547600000000 ] - [ -0.0000858900000000, 0.0000783600000000, 0.0001517500000000 ] - [ 0.0000007000000000, -0.0000370000000000, 0.0000809500000000 ] - [ -0.0000007000000000, -0.0000370000000000, -0.0000809500000000 ] - [ 0.0000858900000000, 0.0000783600000000, -0.0001517500000000 ] - [ 0.0000825400000000, 0.0000777600000000, 0.0001547600000000 ] - [ -0.0056255300000000, -0.0061873700000000, -0.0000143900000000 ] - [ 0.0004019900000000, -0.0002223300000000, 0.0000017300000000 ] - [ 0.0000000000000000, 0.0000145800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002083500000000, 0.0000000000000000 ] - [ 0.0056255300000000, -0.0061873700000000, 0.0000143900000000 ] - [ -0.0004019900000000, -0.0002223300000000, -0.0000017300000000 ] - [ -0.0066913500000000, 0.0337381800000000, 0.0000665100000000 ] - [ -0.0068536100000000, 0.0336135600000000, -0.0000977900000000 ] - [ -0.0067170100000000, 0.0339662100000000, 0.0000166500000000 ] - [ -0.0067185500000000, 0.0337695200000000, 0.0000793500000000 ] - [ -0.0066721200000000, 0.0339967400000000, -0.0000330300000000 ] - [ -0.0066521900000000, 0.0340297300000000, 0.0000772900000000 ] - [ 0.0060632000000000, -0.0333675800000000, 0.0003049900000000 ] - [ 0.0154009900000000, -0.0194723800000000, -0.0082843300000000 ] - [ 0.0065865600000000, -0.0338902500000000, 0.0001972700000000 ] - [ 0.0068237900000000, -0.0338742400000000, -0.0000507400000000 ] - [ 0.0073289500000000, -0.0334143800000000, -0.0008219600000000 ] - [ 0.0057203300000000, -0.0327796600000000, 0.0001310200000000 ] - [ -0.0154009900000000, -0.0194723800000000, 0.0082843300000000 ] - [ -0.0060632000000000, -0.0333675800000000, -0.0003049900000000 ] - [ -0.0057203300000000, -0.0327796600000000, -0.0001310200000000 ] - [ -0.0073289500000000, -0.0334143800000000, 0.0008219600000000 ] - [ -0.0068237900000000, -0.0338742400000000, 0.0000507400000000 ] - [ -0.0065865600000000, -0.0338902500000000, -0.0001972700000000 ] - [ 0.0068536100000000, 0.0336135600000000, 0.0000977900000000 ] - [ 0.0066913500000000, 0.0337381800000000, -0.0000665100000000 ] - [ 0.0066521900000000, 0.0340297300000000, -0.0000772900000000 ] - [ 0.0066721200000000, 0.0339967400000000, 0.0000330300000000 ] - [ 0.0067185500000000, 0.0337695200000000, -0.0000793500000000 ] - [ 0.0067170100000000, 0.0339662100000000, -0.0000166500000000 ] - [ 0.0023009700000000, 0.0487025800000000, 0.0085846700000000 ] - [ -0.0072895000000000, 0.0346315000000000, -0.0003062700000000 ] - [ -0.0065396500000000, 0.0341238500000000, 0.0000508800000000 ] - [ -0.0067721300000000, 0.0341113100000000, -0.0001956700000000 ] - [ -0.0076386900000000, 0.0352181200000000, -0.0001196000000000 ] - [ -0.0060347000000000, 0.0345814500000000, 0.0008216900000000 ] - [ 0.0065078100000000, -0.0343875700000000, 0.0000967600000000 ] - [ 0.0066681200000000, -0.0342610700000000, -0.0000666800000000 ] - [ 0.0066432100000000, -0.0342272000000000, -0.0000766400000000 ] - [ 0.0066439000000000, -0.0340357900000000, -0.0000166100000000 ] - [ 0.0067088000000000, -0.0339706200000000, -0.0000787800000000 ] - [ 0.0066886200000000, -0.0340048300000000, 0.0000325200000000 ] - [ -0.0066681200000000, -0.0342610700000000, 0.0000666800000000 ] - [ -0.0065078100000000, -0.0343875700000000, -0.0000967600000000 ] - [ -0.0066886200000000, -0.0340048300000000, -0.0000325200000000 ] - [ -0.0067088000000000, -0.0339706200000000, 0.0000787800000000 ] - [ -0.0066439000000000, -0.0340357900000000, 0.0000166100000000 ] - [ -0.0066432100000000, -0.0342272000000000, 0.0000766400000000 ] - [ 0.0072895000000000, 0.0346315000000000, 0.0003062700000000 ] - [ -0.0023009700000000, 0.0487025800000000, -0.0085846700000000 ] - [ 0.0060347000000000, 0.0345814500000000, -0.0008216900000000 ] - [ 0.0076386900000000, 0.0352181200000000, 0.0001196000000000 ] - [ 0.0067721300000000, 0.0341113100000000, 0.0001956700000000 ] - [ 0.0065396500000000, 0.0341238500000000, -0.0000508800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002949500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000711300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000905800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000711500000000 ] - [ -0.0000104200000000, -0.0014041900000000, -0.0023310600000000 ] - [ 0.0000104200000000, 0.0014041900000000, -0.0023310600000000 ] - [ 0.0001941200000000, 0.0001155300000000, 0.0002489200000000 ] - [ -0.0001941200000000, -0.0001155300000000, 0.0002489200000000 ] - [ -0.0001927900000000, 0.0001136800000000, 0.0002493800000000 ] - [ 0.0001927900000000, -0.0001136800000000, 0.0002493800000000 ] - [ 0.0007836300000000, -0.0008091000000000, 0.0006686700000000 ] - [ -0.0007836300000000, 0.0008091000000000, 0.0006686700000000 ] - [ 0.0000003800000000, -0.0000210300000000, 0.0002183900000000 ] - [ -0.0000003800000000, 0.0000210300000000, 0.0002183900000000 ] - [ -0.0007843100000000, -0.0008156600000000, 0.0006628600000000 ] - [ 0.0007843100000000, 0.0008156600000000, 0.0006628600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000556200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001211200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000552900000000 ] - [ 0.0044219600000000, -0.0005869100000000, -0.0005578300000000 ] - [ 0.0010578000000000, 0.0022006100000000, -0.0003148800000000 ] - [ 0.0021308400000000, 0.0020759000000000, 0.0003814700000000 ] - [ 0.0020945000000000, 0.0021122700000000, 0.0002037800000000 ] - [ 0.0021208400000000, 0.0023302500000000, 0.0009596600000000 ] - [ 0.0022377600000000, 0.0022346300000000, 0.0000015300000000 ] - [ -0.0031512500000000, 0.0021070100000000, -0.0003182500000000 ] - [ 0.0001999800000000, 0.0048737900000000, -0.0005577700000000 ] - [ -0.0019712400000000, 0.0020736400000000, 0.0000022800000000 ] - [ -0.0020918400000000, 0.0019759800000000, 0.0009620400000000 ] - [ -0.0021151700000000, 0.0021959200000000, 0.0002041000000000 ] - [ -0.0020792600000000, 0.0022318700000000, 0.0003802500000000 ] - [ 0.0019992200000000, -0.0021285200000000, -0.0002268300000000 ] - [ 0.0021817400000000, -0.0030840700000000, -0.0003493200000000 ] - [ 0.0021259300000000, -0.0021959300000000, 0.0001173600000000 ] - [ 0.0020744800000000, -0.0022247600000000, 0.0001730000000000 ] - [ 0.0019969100000000, -0.0020021600000000, 0.0001363300000000 ] - [ 0.0022366200000000, -0.0018737800000000, 0.0000600500000000 ] - [ -0.0020273300000000, -0.0012227200000000, -0.0003522200000000 ] - [ -0.0022108800000000, -0.0021801500000000, -0.0002268500000000 ] - [ -0.0019739400000000, -0.0024353000000000, 0.0000599000000000 ] - [ -0.0022120200000000, -0.0023051900000000, 0.0001359400000000 ] - [ -0.0021352300000000, -0.0020835300000000, 0.0001736400000000 ] - [ -0.0020838400000000, -0.0021123900000000, 0.0001174700000000 ] - [ 0.0022108800000000, 0.0021801500000000, -0.0002268500000000 ] - [ 0.0020273300000000, 0.0012227200000000, -0.0003522200000000 ] - [ 0.0022120200000000, 0.0023051900000000, 0.0001359400000000 ] - [ 0.0019739400000000, 0.0024353000000000, 0.0000599000000000 ] - [ 0.0020838400000000, 0.0021123900000000, 0.0001174700000000 ] - [ 0.0021352300000000, 0.0020835300000000, 0.0001736400000000 ] - [ -0.0021817400000000, 0.0030840700000000, -0.0003493200000000 ] - [ -0.0019992200000000, 0.0021285200000000, -0.0002268300000000 ] - [ -0.0020744800000000, 0.0022247600000000, 0.0001730000000000 ] - [ -0.0021259300000000, 0.0021959300000000, 0.0001173600000000 ] - [ -0.0022366200000000, 0.0018737800000000, 0.0000600500000000 ] - [ -0.0019969100000000, 0.0020021600000000, 0.0001363300000000 ] - [ -0.0001999800000000, -0.0048737900000000, -0.0005577700000000 ] - [ 0.0031512500000000, -0.0021070100000000, -0.0003182500000000 ] - [ 0.0020918400000000, -0.0019759800000000, 0.0009620400000000 ] - [ 0.0019712400000000, -0.0020736400000000, 0.0000022800000000 ] - [ 0.0020792600000000, -0.0022318700000000, 0.0003802500000000 ] - [ 0.0021151700000000, -0.0021959200000000, 0.0002041000000000 ] - [ -0.0010578000000000, -0.0022006100000000, -0.0003148800000000 ] - [ -0.0044219600000000, 0.0005869100000000, -0.0005578300000000 ] - [ -0.0020945000000000, -0.0021122700000000, 0.0002037800000000 ] - [ -0.0021308400000000, -0.0020759000000000, 0.0003814700000000 ] - [ -0.0022377600000000, -0.0022346300000000, 0.0000015300000000 ] - [ -0.0021208400000000, -0.0023302500000000, 0.0009596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0745666400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009211100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009252300000000 ] - [ -0.0000000600000000, 0.0001107100000000, -0.0011167600000000 ] - [ 0.0000000600000000, -0.0001107100000000, -0.0011167600000000 ] - [ 0.0002274200000000, 0.0000598500000000, 0.0004374000000000 ] - [ -0.0002274200000000, -0.0000598500000000, 0.0004374000000000 ] - [ -0.0002277900000000, 0.0000601500000000, 0.0004398800000000 ] - [ 0.0002277900000000, -0.0000601500000000, 0.0004398800000000 ] - [ -0.0001335600000000, 0.0001529600000000, -0.0001012300000000 ] - [ 0.0001335600000000, -0.0001529600000000, -0.0001012300000000 ] - [ 0.0000006400000000, -0.0000796900000000, 0.0004863300000000 ] - [ -0.0000006400000000, 0.0000796900000000, 0.0004863300000000 ] - [ 0.0001334200000000, 0.0001522900000000, -0.0001039600000000 ] - [ -0.0001334200000000, -0.0001522900000000, -0.0001039600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0114177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008739100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112643100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005376200000000 ] - [ -0.0064933600000000, 0.0334135600000000, 0.0004662900000000 ] - [ -0.0068280600000000, 0.0339220400000000, 0.0007020900000000 ] - [ -0.0067464900000000, 0.0340385200000000, -0.0000629400000000 ] - [ -0.0064096700000000, 0.0345048400000000, -0.0003462800000000 ] - [ -0.0066540900000000, 0.0339881500000000, -0.0003466300000000 ] - [ -0.0067265100000000, 0.0339564800000000, -0.0004824400000000 ] - [ 0.0062000900000000, -0.0335151800000000, 0.0010661400000000 ] - [ -0.0024083400000000, -0.0436351700000000, 0.0149166600000000 ] - [ 0.0066799600000000, -0.0339952000000000, -0.0007917700000000 ] - [ 0.0067905000000000, -0.0338657700000000, -0.0011283400000000 ] - [ 0.0073208800000000, -0.0337128200000000, -0.0005775500000000 ] - [ 0.0063492900000000, -0.0343215200000000, -0.0017471500000000 ] - [ -0.0153924700000000, -0.0247613200000000, 0.0146038000000000 ] - [ -0.0071572000000000, -0.0344863900000000, 0.0010715300000000 ] - [ -0.0070135800000000, -0.0336800300000000, -0.0017578200000000 ] - [ -0.0060427900000000, -0.0342871900000000, -0.0005764900000000 ] - [ -0.0065719000000000, -0.0341362400000000, -0.0011282200000000 ] - [ -0.0066811700000000, -0.0340065500000000, -0.0007928200000000 ] - [ 0.0065324900000000, 0.0340807500000000, 0.0006999700000000 ] - [ 0.0068671600000000, 0.0345871700000000, 0.0004646900000000 ] - [ 0.0066341800000000, 0.0340454200000000, -0.0004827200000000 ] - [ 0.0067079100000000, 0.0340125400000000, -0.0003473700000000 ] - [ 0.0069534500000000, 0.0334922900000000, -0.0003460200000000 ] - [ 0.0066152600000000, 0.0339618900000000, -0.0000627300000000 ] - [ 0.0024083400000000, 0.0436351700000000, 0.0149166600000000 ] - [ -0.0062000900000000, 0.0335151800000000, 0.0010661400000000 ] - [ -0.0067905000000000, 0.0338657700000000, -0.0011283400000000 ] - [ -0.0066799600000000, 0.0339952000000000, -0.0007917700000000 ] - [ -0.0063492900000000, 0.0343215200000000, -0.0017471500000000 ] - [ -0.0073208800000000, 0.0337128200000000, -0.0005775500000000 ] - [ 0.0068280600000000, -0.0339220400000000, 0.0007020900000000 ] - [ 0.0064933600000000, -0.0334135600000000, 0.0004662900000000 ] - [ 0.0064096700000000, -0.0345048400000000, -0.0003462800000000 ] - [ 0.0067464900000000, -0.0340385200000000, -0.0000629400000000 ] - [ 0.0067265100000000, -0.0339564800000000, -0.0004824400000000 ] - [ 0.0066540900000000, -0.0339881500000000, -0.0003466300000000 ] - [ -0.0068671600000000, -0.0345871700000000, 0.0004646900000000 ] - [ -0.0065324900000000, -0.0340807500000000, 0.0006999700000000 ] - [ -0.0067079100000000, -0.0340125400000000, -0.0003473700000000 ] - [ -0.0066341800000000, -0.0340454200000000, -0.0004827200000000 ] - [ -0.0066152600000000, -0.0339618900000000, -0.0000627300000000 ] - [ -0.0069534500000000, -0.0334922900000000, -0.0003460200000000 ] - [ 0.0071572000000000, 0.0344863900000000, 0.0010715300000000 ] - [ 0.0153924700000000, 0.0247613200000000, 0.0146038000000000 ] - [ 0.0060427900000000, 0.0342871900000000, -0.0005764900000000 ] - [ 0.0070135800000000, 0.0336800300000000, -0.0017578200000000 ] - [ 0.0066811700000000, 0.0340065500000000, -0.0007928200000000 ] - [ 0.0065719000000000, 0.0341362400000000, -0.0011282200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006833600000000, 0.0001475600000000, 0.0001789900000000 ] - [ 0.0047828400000000, -0.0030649600000000, 0.0031111300000000 ] - [ -0.0000933100000000, 0.0000427600000000, 0.0000371100000000 ] - [ 0.0000606100000000, -0.0000386200000000, -0.0000116300000000 ] - [ -0.0004209300000000, -0.0003316000000000, -0.0000814500000000 ] - [ 0.0001479500000000, 0.0001605800000000, 0.0001721200000000 ] - [ 0.0001956100000000, -0.0000557400000000, 0.0000128400000000 ] - [ -0.0001578600000000, -0.0000084000000000, -0.0000402000000000 ] - [ 0.0000529700000000, 0.0000106800000000, -0.0000006800000000 ] - [ -0.0000360000000000, -0.0000063500000000, -0.0000005600000000 ] - [ 0.0001232800000000, -0.0000083300000000, 0.0000251400000000 ] - [ -0.0000654800000000, 0.0000187400000000, 0.0000122100000000 ] - [ 0.0001232800000000, -0.0000083300000000, -0.0000251400000000 ] - [ -0.0000654800000000, 0.0000187400000000, -0.0000122100000000 ] - [ 0.0000529700000000, 0.0000106800000000, 0.0000006800000000 ] - [ -0.0000360000000000, -0.0000063500000000, 0.0000005600000000 ] - [ 0.0001956100000000, -0.0000557400000000, -0.0000128400000000 ] - [ -0.0001578600000000, -0.0000084000000000, 0.0000402000000000 ] - [ -0.0004209300000000, -0.0003316000000000, 0.0000814500000000 ] - [ 0.0001479500000000, 0.0001605800000000, -0.0001721200000000 ] - [ -0.0000933100000000, 0.0000427600000000, -0.0000371100000000 ] - [ 0.0000606100000000, -0.0000386200000000, 0.0000116300000000 ] - [ -0.0006833600000000, 0.0001475600000000, -0.0001789900000000 ] - [ 0.0047828400000000, -0.0030649600000000, -0.0031111300000000 ] - [ 0.0021581600000000, 0.0024355800000000, 0.0000778100000000 ] - [ 0.0019292800000000, 0.0019725100000000, -0.0001849600000000 ] - [ 0.0021146100000000, 0.0021686300000000, 0.0000000000000000 ] - [ 0.0021039800000000, 0.0021725600000000, 0.0000000000000000 ] - [ 0.0021581600000000, 0.0024355800000000, -0.0000778100000000 ] - [ 0.0019292800000000, 0.0019725100000000, 0.0001849600000000 ] - [ -0.0015946400000000, 0.0019721900000000, 0.0000000000000000 ] - [ -0.0023754600000000, 0.0021361400000000, 0.0000000000000000 ] - [ -0.0020378400000000, 0.0022064400000000, -0.0000776900000000 ] - [ -0.0021633000000000, 0.0021345400000000, 0.0000171000000000 ] - [ -0.0020378400000000, 0.0022064400000000, 0.0000776900000000 ] - [ -0.0021633000000000, 0.0021345400000000, -0.0000171000000000 ] - [ 0.0027241200000000, -0.0020507400000000, -0.0004923500000000 ] - [ 0.0017480200000000, -0.0022211900000000, -0.0000260700000000 ] - [ 0.0021110600000000, -0.0021168400000000, 0.0000000000000000 ] - [ 0.0021096000000000, -0.0021696500000000, 0.0000000000000000 ] - [ 0.0027241200000000, -0.0020507400000000, 0.0004923500000000 ] - [ 0.0017480200000000, -0.0022211900000000, 0.0000260700000000 ] - [ 0.0065941800000000, -0.0047176400000000, 0.0000000000000000 ] - [ -0.0031221300000000, -0.0025386900000000, 0.0000000000000000 ] - [ -0.0021216800000000, -0.0020291600000000, 0.0003149700000000 ] - [ -0.0020621300000000, -0.0021591600000000, -0.0001447300000000 ] - [ -0.0021216800000000, -0.0020291600000000, -0.0003149700000000 ] - [ -0.0020621300000000, -0.0021591600000000, 0.0001447300000000 ] - [ 0.0029489700000000, 0.0028613600000000, 0.0000000000000000 ] - [ 0.0014856600000000, 0.0022638800000000, 0.0000000000000000 ] - [ 0.0021815400000000, 0.0020992500000000, 0.0000122300000000 ] - [ 0.0020320700000000, 0.0021841100000000, -0.0000448700000000 ] - [ 0.0021815400000000, 0.0020992500000000, -0.0000122300000000 ] - [ 0.0020320700000000, 0.0021841100000000, 0.0000448700000000 ] - [ -0.0022267800000000, 0.0018073400000000, 0.0006103900000000 ] - [ -0.0019905500000000, 0.0022450700000000, -0.0002414000000000 ] - [ -0.0021425600000000, 0.0021787400000000, 0.0000000000000000 ] - [ -0.0020749600000000, 0.0021279300000000, 0.0000000000000000 ] - [ -0.0022267800000000, 0.0018073400000000, -0.0006103900000000 ] - [ -0.0019905500000000, 0.0022450700000000, 0.0002414000000000 ] - [ 0.0021889800000000, -0.0025616600000000, 0.0000000000000000 ] - [ 0.0021396900000000, -0.0020183300000000, 0.0000000000000000 ] - [ 0.0021221900000000, -0.0021975900000000, 0.0000011800000000 ] - [ 0.0020899300000000, -0.0021622400000000, -0.0000236500000000 ] - [ 0.0021221900000000, -0.0021975900000000, -0.0000011800000000 ] - [ 0.0020899300000000, -0.0021622400000000, 0.0000236500000000 ] - [ -0.0020132800000000, -0.0023005700000000, 0.0000049900000000 ] - [ -0.0022280600000000, -0.0021035400000000, 0.0000274300000000 ] - [ -0.0020566600000000, -0.0021950000000000, 0.0000000000000000 ] - [ -0.0021381700000000, -0.0021426500000000, 0.0000000000000000 ] - [ -0.0020132800000000, -0.0023005700000000, -0.0000049900000000 ] - [ -0.0022280600000000, -0.0021035400000000, -0.0000274300000000 ] - [ -0.0001715900000000, -0.0000114200000000, 0.0001860200000000 ] - [ 0.0001366300000000, -0.0001735800000000, -0.0001491700000000 ] - [ -0.0000815400000000, 0.0000088400000000, 0.0000282900000000 ] - [ 0.0000355900000000, 0.0000289100000000, -0.0000464600000000 ] - [ -0.0001226000000000, -0.0000366000000000, -0.0000663900000000 ] - [ -0.0001583800000000, -0.0000373300000000, 0.0002723300000000 ] - [ 0.0136394700000000, 0.0087146300000000, -0.0087551600000000 ] - [ -0.0007795800000000, -0.0006126300000000, -0.0004818100000000 ] - [ 0.0001098600000000, 0.0001434200000000, 0.0001095200000000 ] - [ 0.0000527500000000, -0.0000932100000000, 0.0000003900000000 ] - [ 0.0010890900000000, -0.0009574300000000, -0.0003353600000000 ] - [ -0.0003017200000000, 0.0006487500000000, 0.0006413000000000 ] - [ 0.0010890900000000, -0.0009574300000000, 0.0003353600000000 ] - [ -0.0003017200000000, 0.0006487500000000, -0.0006413000000000 ] - [ 0.0001098600000000, 0.0001434200000000, -0.0001095200000000 ] - [ 0.0000527500000000, -0.0000932100000000, -0.0000003900000000 ] - [ 0.0136394700000000, 0.0087146300000000, 0.0087551600000000 ] - [ -0.0007795800000000, -0.0006126300000000, 0.0004818100000000 ] - [ -0.0001226000000000, -0.0000366000000000, 0.0000663900000000 ] - [ -0.0001583800000000, -0.0000373300000000, -0.0002723300000000 ] - [ -0.0000815400000000, 0.0000088400000000, -0.0000282900000000 ] - [ 0.0000355900000000, 0.0000289100000000, 0.0000464600000000 ] - [ -0.0001715900000000, -0.0000114200000000, -0.0001860200000000 ] - [ 0.0001366300000000, -0.0001735800000000, 0.0001491700000000 ] - [ -0.0599725400000000, 0.0228130800000000, 0.0000000000000000 ] - [ -0.0054954200000000, 0.0342941100000000, 0.0000000000000000 ] - [ -0.0070955200000000, 0.0337844800000000, -0.0000084700000000 ] - [ -0.0062757200000000, 0.0341481600000000, 0.0001481500000000 ] - [ -0.0070955200000000, 0.0337844800000000, 0.0000084700000000 ] - [ -0.0062757200000000, 0.0341481600000000, -0.0001481500000000 ] - [ 0.0066762600000000, -0.0336532000000000, 0.0004006100000000 ] - [ 0.0068693600000000, -0.0339747100000000, -0.0000171800000000 ] - [ 0.0066232200000000, -0.0340669800000000, 0.0000000000000000 ] - [ 0.0067579000000000, -0.0339642900000000, 0.0000000000000000 ] - [ 0.0066762600000000, -0.0336532000000000, -0.0004006100000000 ] - [ 0.0068693600000000, -0.0339747100000000, 0.0000171800000000 ] - [ -0.0065026200000000, -0.0344110100000000, 0.0000000000000000 ] - [ -0.0065019200000000, -0.0331801800000000, 0.0000000000000000 ] - [ -0.0066571700000000, -0.0340554200000000, -0.0000785300000000 ] - [ -0.0066569600000000, -0.0340014800000000, 0.0001090400000000 ] - [ -0.0066571700000000, -0.0340554200000000, 0.0000785300000000 ] - [ -0.0066569600000000, -0.0340014800000000, -0.0001090400000000 ] - [ 0.0074075600000000, 0.0343059300000000, -0.0031260000000000 ] - [ 0.0075516800000000, 0.0335181600000000, 0.0012797500000000 ] - [ 0.0067363700000000, 0.0340360500000000, 0.0000000000000000 ] - [ 0.0066527000000000, 0.0340577900000000, 0.0000000000000000 ] - [ 0.0074075600000000, 0.0343059300000000, 0.0031260000000000 ] - [ 0.0075516800000000, 0.0335181600000000, -0.0012797500000000 ] - [ -0.0066237500000000, 0.0340985500000000, -0.0002361500000000 ] - [ -0.0066229500000000, 0.0340562400000000, 0.0001757900000000 ] - [ -0.0066563300000000, 0.0340201100000000, 0.0000000000000000 ] - [ -0.0066564400000000, 0.0340044800000000, 0.0000000000000000 ] - [ -0.0066237500000000, 0.0340985500000000, 0.0002361500000000 ] - [ -0.0066229500000000, 0.0340562400000000, -0.0001757900000000 ] - [ 0.0100684400000000, -0.0288360700000000, 0.0000000000000000 ] - [ 0.0096197700000000, -0.0353233200000000, 0.0000000000000000 ] - [ 0.0065824300000000, -0.0335339100000000, -0.0003680100000000 ] - [ 0.0066147600000000, -0.0340771300000000, 0.0001458100000000 ] - [ 0.0065824300000000, -0.0335339100000000, 0.0003680100000000 ] - [ 0.0066147600000000, -0.0340771300000000, -0.0001458100000000 ] - [ -0.0080545300000000, -0.0343145300000000, 0.0003025300000000 ] - [ -0.0061798500000000, -0.0342472800000000, 0.0001590800000000 ] - [ -0.0067962200000000, -0.0340307200000000, 0.0000000000000000 ] - [ -0.0066361800000000, -0.0340797600000000, 0.0000000000000000 ] - [ -0.0080545300000000, -0.0343145300000000, -0.0003025300000000 ] - [ -0.0061798500000000, -0.0342472800000000, -0.0001590800000000 ] - [ 0.0063996400000000, 0.0342456400000000, 0.0000000000000000 ] - [ 0.0072196500000000, 0.0340687700000000, 0.0000000000000000 ] - [ 0.0065997800000000, 0.0341007200000000, 0.0001485900000000 ] - [ 0.0067925100000000, 0.0339617600000000, -0.0000085200000000 ] - [ 0.0065997800000000, 0.0341007200000000, -0.0001485900000000 ] - [ 0.0067925100000000, 0.0339617600000000, 0.0000085200000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006835200000000, -0.0001490100000000, -0.0001808200000000 ] - [ -0.0046758700000000, 0.0029651600000000, -0.0029813300000000 ] - [ 0.0000953100000000, -0.0000424400000000, -0.0000372800000000 ] - [ -0.0000564600000000, 0.0000379300000000, 0.0000115500000000 ] - [ 0.0004208400000000, 0.0003293300000000, 0.0000801600000000 ] - [ -0.0001416400000000, -0.0001583900000000, -0.0001716900000000 ] - [ -0.0001919400000000, 0.0000554200000000, -0.0000133000000000 ] - [ 0.0001604800000000, 0.0000076900000000, 0.0000392600000000 ] - [ -0.0000492700000000, -0.0000108500000000, 0.0000012000000000 ] - [ 0.0000393500000000, 0.0000059300000000, 0.0000004300000000 ] - [ -0.0001191800000000, 0.0000076600000000, -0.0000245000000000 ] - [ 0.0000685200000000, -0.0000189100000000, -0.0000118300000000 ] - [ -0.0001191800000000, 0.0000076600000000, 0.0000245000000000 ] - [ 0.0000685200000000, -0.0000189100000000, 0.0000118300000000 ] - [ -0.0000492700000000, -0.0000108500000000, -0.0000012000000000 ] - [ 0.0000393500000000, 0.0000059300000000, -0.0000004300000000 ] - [ -0.0001919400000000, 0.0000554200000000, 0.0000133000000000 ] - [ 0.0001604800000000, 0.0000076900000000, -0.0000392600000000 ] - [ 0.0004208400000000, 0.0003293300000000, -0.0000801600000000 ] - [ -0.0001416400000000, -0.0001583900000000, 0.0001716900000000 ] - [ 0.0000953100000000, -0.0000424400000000, 0.0000372800000000 ] - [ -0.0000564600000000, 0.0000379300000000, -0.0000115500000000 ] - [ 0.0006835200000000, -0.0001490100000000, 0.0001808200000000 ] - [ -0.0046758700000000, 0.0029651600000000, 0.0029813300000000 ] - [ 0.0020544000000000, 0.0018776600000000, -0.0000774700000000 ] - [ 0.0022819900000000, 0.0023358500000000, 0.0001816000000000 ] - [ 0.0020984500000000, 0.0021434200000000, 0.0000000000000000 ] - [ 0.0021095000000000, 0.0021383800000000, 0.0000000000000000 ] - [ 0.0020544000000000, 0.0018776600000000, 0.0000774700000000 ] - [ 0.0022819900000000, 0.0023358500000000, -0.0001816000000000 ] - [ -0.0026059800000000, 0.0023169200000000, 0.0000000000000000 ] - [ -0.0018316500000000, 0.0021733100000000, 0.0000000000000000 ] - [ -0.0021680500000000, 0.0021053200000000, 0.0000767100000000 ] - [ -0.0020431700000000, 0.0021761800000000, -0.0000175500000000 ] - [ -0.0021680500000000, 0.0021053200000000, -0.0000767100000000 ] - [ -0.0020431700000000, 0.0021761800000000, 0.0000175500000000 ] - [ 0.0015011700000000, -0.0022569400000000, 0.0004880300000000 ] - [ 0.0024635400000000, -0.0020900700000000, 0.0000254300000000 ] - [ 0.0021030800000000, -0.0021939700000000, 0.0000000000000000 ] - [ 0.0021037800000000, -0.0021420700000000, 0.0000000000000000 ] - [ 0.0015011700000000, -0.0022569400000000, -0.0004880300000000 ] - [ 0.0024635400000000, -0.0020900700000000, -0.0000254300000000 ] - [ -0.0111108000000000, 0.0005288500000000, 0.0000000000000000 ] - [ -0.0010487700000000, -0.0017545300000000, 0.0000000000000000 ] - [ -0.0020855200000000, -0.0022806500000000, -0.0003129800000000 ] - [ -0.0021441900000000, -0.0021524200000000, 0.0001439300000000 ] - [ -0.0020855200000000, -0.0022806500000000, 0.0003129800000000 ] - [ -0.0021441900000000, -0.0021524200000000, -0.0001439300000000 ] - [ 0.0012658300000000, 0.0014461200000000, 0.0000000000000000 ] - [ 0.0027278500000000, 0.0020462100000000, 0.0000000000000000 ] - [ 0.0020336700000000, 0.0022104400000000, -0.0000098800000000 ] - [ 0.0021810100000000, 0.0021262300000000, 0.0000440300000000 ] - [ 0.0020336700000000, 0.0022104400000000, 0.0000098800000000 ] - [ 0.0021810100000000, 0.0021262300000000, -0.0000440300000000 ] - [ -0.0019833800000000, 0.0025001300000000, -0.0006114700000000 ] - [ -0.0022137100000000, 0.0020657900000000, 0.0002393900000000 ] - [ -0.0020642800000000, 0.0021314300000000, 0.0000000000000000 ] - [ -0.0021317500000000, 0.0021824900000000, 0.0000000000000000 ] - [ -0.0019833800000000, 0.0025001300000000, 0.0006114700000000 ] - [ -0.0022137100000000, 0.0020657900000000, -0.0002393900000000 ] - [ 0.0020250300000000, -0.0017528100000000, 0.0000000000000000 ] - [ 0.0020744100000000, -0.0022934200000000, 0.0000000000000000 ] - [ 0.0020906500000000, -0.0021156400000000, -0.0000017200000000 ] - [ 0.0021236100000000, -0.0021504800000000, 0.0000233500000000 ] - [ 0.0020906500000000, -0.0021156400000000, 0.0000017200000000 ] - [ 0.0021236100000000, -0.0021504800000000, -0.0000233500000000 ] - [ -0.0021924900000000, -0.0020146300000000, -0.0000057700000000 ] - [ -0.0019784900000000, -0.0022077400000000, -0.0000279900000000 ] - [ -0.0021492700000000, -0.0021173100000000, 0.0000000000000000 ] - [ -0.0020682800000000, -0.0021702000000000, 0.0000000000000000 ] - [ -0.0021924900000000, -0.0020146300000000, 0.0000057700000000 ] - [ -0.0019784900000000, -0.0022077400000000, 0.0000279900000000 ] - [ 0.0001747100000000, 0.0000101900000000, -0.0001895800000000 ] - [ -0.0001295300000000, 0.0001730600000000, 0.0001461800000000 ] - [ 0.0000856700000000, -0.0000088300000000, -0.0000263400000000 ] - [ -0.0000305400000000, -0.0000300000000000, 0.0000453500000000 ] - [ 0.0001246900000000, 0.0000376000000000, 0.0000667200000000 ] - [ 0.0001607700000000, 0.0000354200000000, -0.0002710700000000 ] - [ -0.0137617000000000, -0.0089862000000000, 0.0090414000000000 ] - [ 0.0007811700000000, 0.0006132500000000, 0.0004791500000000 ] - [ -0.0001041300000000, -0.0001401600000000, -0.0001055400000000 ] - [ -0.0000524100000000, 0.0000931800000000, -0.0000005300000000 ] - [ -0.0010832400000000, 0.0009608300000000, 0.0003294700000000 ] - [ 0.0003028300000000, -0.0006453500000000, -0.0006382700000000 ] - [ -0.0010832400000000, 0.0009608300000000, -0.0003294700000000 ] - [ 0.0003028300000000, -0.0006453500000000, 0.0006382700000000 ] - [ -0.0001041300000000, -0.0001401600000000, 0.0001055400000000 ] - [ -0.0000524100000000, 0.0000931800000000, 0.0000005300000000 ] - [ -0.0137617000000000, -0.0089862000000000, -0.0090414000000000 ] - [ 0.0007811700000000, 0.0006132500000000, -0.0004791500000000 ] - [ 0.0001246900000000, 0.0000376000000000, -0.0000667200000000 ] - [ 0.0001607700000000, 0.0000354200000000, 0.0002710700000000 ] - [ 0.0000856700000000, -0.0000088300000000, 0.0000263400000000 ] - [ -0.0000305400000000, -0.0000300000000000, -0.0000453500000000 ] - [ 0.0001747100000000, 0.0000101900000000, 0.0001895800000000 ] - [ -0.0001295300000000, 0.0001730600000000, -0.0001461800000000 ] - [ 0.0463880900000000, 0.0459195000000000, 0.0000000000000000 ] - [ -0.0078616400000000, 0.0336995400000000, 0.0000000000000000 ] - [ -0.0062644400000000, 0.0342088700000000, 0.0000085300000000 ] - [ -0.0070816900000000, 0.0338465100000000, -0.0001463100000000 ] - [ -0.0062644400000000, 0.0342088700000000, -0.0000085300000000 ] - [ -0.0070816900000000, 0.0338465100000000, 0.0001463100000000 ] - [ 0.0066878900000000, -0.0343403800000000, -0.0003945200000000 ] - [ 0.0064979000000000, -0.0340212400000000, 0.0000188600000000 ] - [ 0.0067447000000000, -0.0339265900000000, 0.0000000000000000 ] - [ 0.0066096000000000, -0.0340316900000000, 0.0000000000000000 ] - [ 0.0066878900000000, -0.0343403800000000, 0.0003945200000000 ] - [ 0.0064979000000000, -0.0340212400000000, -0.0000188600000000 ] - [ -0.0068547900000000, -0.0335869700000000, 0.0000000000000000 ] - [ -0.0068525800000000, -0.0348078000000000, 0.0000000000000000 ] - [ -0.0067005000000000, -0.0339442400000000, 0.0000790200000000 ] - [ -0.0067014200000000, -0.0339963600000000, -0.0001072800000000 ] - [ -0.0067005000000000, -0.0339442400000000, -0.0000790200000000 ] - [ -0.0067014200000000, -0.0339963600000000, 0.0001072800000000 ] - [ 0.0059659700000000, 0.0336959000000000, 0.0031284000000000 ] - [ 0.0058195700000000, 0.0344706400000000, -0.0012736700000000 ] - [ 0.0066316400000000, 0.0339587900000000, 0.0000000000000000 ] - [ 0.0067127500000000, 0.0339393100000000, 0.0000000000000000 ] - [ 0.0059659700000000, 0.0336959000000000, -0.0031284000000000 ] - [ 0.0058195700000000, 0.0344706400000000, 0.0012736700000000 ] - [ -0.0067346300000000, 0.0338961500000000, 0.0002383100000000 ] - [ -0.0067339300000000, 0.0339421200000000, -0.0001715100000000 ] - [ -0.0067028500000000, 0.0339761900000000, 0.0000000000000000 ] - [ -0.0067054400000000, 0.0339884000000000, 0.0000000000000000 ] - [ -0.0067346300000000, 0.0338961500000000, -0.0002383100000000 ] - [ -0.0067339300000000, 0.0339421200000000, 0.0001715100000000 ] - [ 0.0032781200000000, -0.0392168300000000, 0.0000000000000000 ] - [ 0.0037533000000000, -0.0326840300000000, 0.0000000000000000 ] - [ 0.0067850900000000, -0.0344610200000000, 0.0003626600000000 ] - [ 0.0067481100000000, -0.0339229500000000, -0.0001428200000000 ] - [ 0.0067850900000000, -0.0344610200000000, -0.0003626600000000 ] - [ 0.0067481100000000, -0.0339229500000000, 0.0001428200000000 ] - [ -0.0053102700000000, -0.0336756800000000, -0.0003180000000000 ] - [ -0.0071731400000000, -0.0337515300000000, -0.0001592000000000 ] - [ -0.0065643500000000, -0.0339665000000000, 0.0000000000000000 ] - [ -0.0067220200000000, -0.0339178600000000, 0.0000000000000000 ] - [ -0.0053102700000000, -0.0336756800000000, 0.0003180000000000 ] - [ -0.0071731400000000, -0.0337515300000000, 0.0001592000000000 ] - [ 0.0069614100000000, 0.0337546900000000, 0.0000000000000000 ] - [ 0.0061479700000000, 0.0339254800000000, 0.0000000000000000 ] - [ 0.0067660000000000, 0.0338957500000000, -0.0001474000000000 ] - [ 0.0065759600000000, 0.0340326800000000, 0.0000092600000000 ] - [ 0.0067660000000000, 0.0338957500000000, 0.0001474000000000 ] - [ 0.0065759600000000, 0.0340326800000000, -0.0000092600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003501700000000, 0.0005320500000000, 0.0003742500000000 ] - [ -0.0036241100000000, 0.0044591400000000, -0.0027827400000000 ] - [ -0.0000777500000000, 0.0000768800000000, 0.0000186900000000 ] - [ 0.0000346400000000, -0.0000070000000000, 0.0000297200000000 ] - [ -0.0000660400000000, 0.0000126900000000, 0.0000091900000000 ] - [ 0.0003015400000000, 0.0003191500000000, -0.0000679600000000 ] - [ 0.0001104700000000, -0.0002169800000000, -0.0001142300000000 ] - [ -0.0001011900000000, 0.0000140100000000, -0.0001067800000000 ] - [ 0.0000226800000000, 0.0000180000000000, -0.0000114800000000 ] - [ -0.0000247500000000, -0.0000110900000000, -0.0000053000000000 ] - [ 0.0001045100000000, -0.0000227300000000, 0.0000578700000000 ] - [ -0.0000312400000000, 0.0000084100000000, 0.0000258200000000 ] - [ 0.0001045100000000, -0.0000227300000000, -0.0000578700000000 ] - [ -0.0000312400000000, 0.0000084100000000, -0.0000258200000000 ] - [ 0.0000226800000000, 0.0000180000000000, 0.0000114800000000 ] - [ -0.0000247500000000, -0.0000110900000000, 0.0000053000000000 ] - [ 0.0001104700000000, -0.0002169800000000, 0.0001142300000000 ] - [ -0.0001011900000000, 0.0000140100000000, 0.0001067800000000 ] - [ -0.0000660400000000, 0.0000126900000000, -0.0000091900000000 ] - [ 0.0003015400000000, 0.0003191500000000, 0.0000679600000000 ] - [ -0.0000777500000000, 0.0000768800000000, -0.0000186900000000 ] - [ 0.0000346400000000, -0.0000070000000000, -0.0000297200000000 ] - [ -0.0003501700000000, 0.0005320500000000, -0.0003742500000000 ] - [ -0.0036241100000000, 0.0044591400000000, 0.0027827400000000 ] - [ 0.0024052000000000, 0.0020133900000000, -0.0003622600000000 ] - [ 0.0018688200000000, 0.0020717600000000, -0.0002165100000000 ] - [ 0.0020916000000000, 0.0022066800000000, 0.0000000000000000 ] - [ 0.0021131700000000, 0.0022018800000000, 0.0000000000000000 ] - [ 0.0024052000000000, 0.0020133900000000, 0.0003622600000000 ] - [ 0.0018688200000000, 0.0020717600000000, 0.0002165100000000 ] - [ -0.0019826900000000, 0.0063013600000000, 0.0000000000000000 ] - [ -0.0020872900000000, 0.0022067500000000, 0.0000000000000000 ] - [ -0.0020606000000000, 0.0022245300000000, -0.0001458400000000 ] - [ -0.0021256000000000, 0.0021864100000000, -0.0000133700000000 ] - [ -0.0020606000000000, 0.0022245300000000, 0.0001458400000000 ] - [ -0.0021256000000000, 0.0021864100000000, 0.0000133700000000 ] - [ 0.0023113400000000, -0.0014950200000000, -0.0002477100000000 ] - [ 0.0020580800000000, -0.0021530300000000, 0.0000286900000000 ] - [ 0.0021416100000000, -0.0021249500000000, 0.0000000000000000 ] - [ 0.0021056300000000, -0.0021342400000000, 0.0000000000000000 ] - [ 0.0023113400000000, -0.0014950200000000, 0.0002477100000000 ] - [ 0.0020580800000000, -0.0021530300000000, -0.0000286900000000 ] - [ -0.0043580500000000, -0.0005732300000000, 0.0000000000000000 ] - [ -0.0031432600000000, -0.0014530800000000, 0.0000000000000000 ] - [ -0.0021505700000000, -0.0021001300000000, 0.0000071600000000 ] - [ -0.0020830700000000, -0.0021144200000000, -0.0000647100000000 ] - [ -0.0021505700000000, -0.0021001300000000, -0.0000071600000000 ] - [ -0.0020830700000000, -0.0021144200000000, 0.0000647100000000 ] - [ 0.0023491100000000, 0.0007323200000000, 0.0000000000000000 ] - [ 0.0016137600000000, 0.0020998600000000, 0.0000000000000000 ] - [ 0.0022239400000000, 0.0020185000000000, 0.0003399000000000 ] - [ 0.0020544500000000, 0.0021037800000000, -0.0000100100000000 ] - [ 0.0022239400000000, 0.0020185000000000, -0.0003399000000000 ] - [ 0.0020544500000000, 0.0021037800000000, 0.0000100100000000 ] - [ -0.0024973700000000, 0.0018058600000000, 0.0005533200000000 ] - [ -0.0019121800000000, 0.0020394600000000, 0.0000547100000000 ] - [ -0.0020815900000000, 0.0020838200000000, 0.0000000000000000 ] - [ -0.0020996200000000, 0.0021023300000000, 0.0000000000000000 ] - [ -0.0024973700000000, 0.0018058600000000, -0.0005533200000000 ] - [ -0.0019121800000000, 0.0020394600000000, -0.0000547100000000 ] - [ 0.0021669400000000, -0.0028238400000000, 0.0000000000000000 ] - [ 0.0021181400000000, -0.0024070300000000, 0.0000000000000000 ] - [ 0.0020881900000000, -0.0022750100000000, 0.0000272800000000 ] - [ 0.0020994700000000, -0.0022320200000000, -0.0000214400000000 ] - [ 0.0020881900000000, -0.0022750100000000, -0.0000272800000000 ] - [ 0.0020994700000000, -0.0022320200000000, 0.0000214400000000 ] - [ -0.0020120500000000, -0.0026050500000000, -0.0000395500000000 ] - [ -0.0021630000000000, -0.0022704600000000, -0.0000054800000000 ] - [ -0.0020747600000000, -0.0022137600000000, 0.0000000000000000 ] - [ -0.0021217000000000, -0.0021970700000000, 0.0000000000000000 ] - [ -0.0020120500000000, -0.0026050500000000, 0.0000395500000000 ] - [ -0.0021630000000000, -0.0022704600000000, 0.0000054800000000 ] - [ 0.0002176600000000, -0.0002612900000000, -0.0005881000000000 ] - [ 0.0001682800000000, -0.0003872700000000, -0.0000798900000000 ] - [ -0.0000258900000000, -0.0000022300000000, -0.0000099800000000 ] - [ 0.0000764800000000, 0.0000313800000000, -0.0000434600000000 ] - [ -0.0000917700000000, -0.0000334200000000, 0.0000396400000000 ] - [ -0.0003778700000000, -0.0002280800000000, 0.0005081400000000 ] - [ 0.0087012800000000, 0.0145403400000000, -0.0092791300000000 ] - [ 0.0000226700000000, 0.0006360700000000, 0.0004861800000000 ] - [ 0.0002074900000000, 0.0001261200000000, 0.0001337600000000 ] - [ 0.0000336900000000, 0.0001125400000000, 0.0000057200000000 ] - [ -0.0010582500000000, 0.0012221000000000, -0.0003243300000000 ] - [ -0.0002731200000000, 0.0005840400000000, 0.0002895000000000 ] - [ -0.0010582500000000, 0.0012221000000000, 0.0003243300000000 ] - [ -0.0002731200000000, 0.0005840400000000, -0.0002895000000000 ] - [ 0.0002074900000000, 0.0001261200000000, -0.0001337600000000 ] - [ 0.0000336900000000, 0.0001125400000000, -0.0000057200000000 ] - [ 0.0087012800000000, 0.0145403400000000, 0.0092791300000000 ] - [ 0.0000226700000000, 0.0006360700000000, -0.0004861800000000 ] - [ -0.0000917700000000, -0.0000334200000000, -0.0000396400000000 ] - [ -0.0003778700000000, -0.0002280800000000, -0.0005081400000000 ] - [ -0.0000258900000000, -0.0000022300000000, 0.0000099800000000 ] - [ 0.0000764800000000, 0.0000313800000000, 0.0000434600000000 ] - [ 0.0002176600000000, -0.0002612900000000, 0.0005881000000000 ] - [ 0.0001682800000000, -0.0003872700000000, 0.0000798900000000 ] - [ -0.0180933500000000, -0.0129706200000000, 0.0000000000000000 ] - [ -0.0063810600000000, 0.0329916500000000, 0.0000000000000000 ] - [ -0.0068918400000000, 0.0334751500000000, -0.0000190300000000 ] - [ -0.0065283700000000, 0.0338513400000000, 0.0001529500000000 ] - [ -0.0068918400000000, 0.0334751500000000, 0.0000190300000000 ] - [ -0.0065283700000000, 0.0338513400000000, -0.0001529500000000 ] - [ 0.0070252100000000, -0.0332208700000000, 0.0007773500000000 ] - [ 0.0067063100000000, -0.0340102700000000, 0.0001798900000000 ] - [ 0.0066137700000000, -0.0340754300000000, 0.0000000000000000 ] - [ 0.0067142000000000, -0.0340128100000000, 0.0000000000000000 ] - [ 0.0070252100000000, -0.0332208700000000, -0.0007773500000000 ] - [ 0.0067063100000000, -0.0340102700000000, -0.0001798900000000 ] - [ -0.0074941800000000, -0.0330211700000000, 0.0000000000000000 ] - [ -0.0062658000000000, -0.0330214300000000, 0.0000000000000000 ] - [ -0.0066752300000000, -0.0340214900000000, 0.0000312400000000 ] - [ -0.0066228700000000, -0.0340218400000000, 0.0001829000000000 ] - [ -0.0066752300000000, -0.0340214900000000, -0.0000312400000000 ] - [ -0.0066228700000000, -0.0340218400000000, -0.0001829000000000 ] - [ 0.0063785800000000, 0.0325253300000000, 0.0004079700000000 ] - [ 0.0071593600000000, 0.0330840500000000, 0.0007260400000000 ] - [ 0.0066447000000000, 0.0338734800000000, 0.0000000000000000 ] - [ 0.0066228400000000, 0.0339701300000000, 0.0000000000000000 ] - [ 0.0063785800000000, 0.0325253300000000, -0.0004079700000000 ] - [ 0.0071593600000000, 0.0330840500000000, -0.0007260400000000 ] - [ -0.0066233500000000, 0.0343241100000000, 0.0000680800000000 ] - [ -0.0065782100000000, 0.0343267200000000, 0.0001771600000000 ] - [ -0.0066717300000000, 0.0340298900000000, 0.0000000000000000 ] - [ -0.0066583900000000, 0.0340308900000000, 0.0000000000000000 ] - [ -0.0066233500000000, 0.0343241100000000, -0.0000680800000000 ] - [ -0.0065782100000000, 0.0343267200000000, -0.0001771600000000 ] - [ 0.0118442600000000, -0.0306753700000000, 0.0000000000000000 ] - [ 0.0053577400000000, -0.0342929300000000, 0.0000000000000000 ] - [ 0.0071448000000000, -0.0341733400000000, -0.0004083400000000 ] - [ 0.0066034200000000, -0.0340918500000000, -0.0000384300000000 ] - [ 0.0071448000000000, -0.0341733400000000, 0.0004083400000000 ] - [ 0.0066034200000000, -0.0340918500000000, 0.0000384300000000 ] - [ -0.0063592800000000, -0.0338747400000000, -0.0031345200000000 ] - [ -0.0064309700000000, -0.0343079000000000, -0.0005180400000000 ] - [ -0.0066473300000000, -0.0340459500000000, 0.0000000000000000 ] - [ -0.0065973900000000, -0.0340752500000000, 0.0000000000000000 ] - [ -0.0063592800000000, -0.0338747400000000, 0.0031345200000000 ] - [ -0.0064309700000000, -0.0343079000000000, 0.0005180400000000 ] - [ 0.0064337000000000, 0.0348368100000000, 0.0000000000000000 ] - [ 0.0066094800000000, 0.0346397900000000, 0.0000000000000000 ] - [ 0.0065793500000000, 0.0342558900000000, 0.0001724400000000 ] - [ 0.0067175900000000, 0.0340435900000000, 0.0000516900000000 ] - [ 0.0065793500000000, 0.0342558900000000, -0.0001724400000000 ] - [ 0.0067175900000000, 0.0340435900000000, -0.0000516900000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003490800000000, -0.0005364800000000, -0.0003760500000000 ] - [ 0.0036813600000000, -0.0044498200000000, 0.0028274500000000 ] - [ 0.0000781900000000, -0.0000781600000000, -0.0000188600000000 ] - [ -0.0000327800000000, 0.0000047800000000, -0.0000297200000000 ] - [ 0.0000648100000000, -0.0000161000000000, -0.0000091000000000 ] - [ -0.0002987400000000, -0.0003191900000000, 0.0000668700000000 ] - [ -0.0001076800000000, 0.0002133400000000, 0.0001131500000000 ] - [ 0.0001013700000000, -0.0000156200000000, 0.0001059100000000 ] - [ -0.0000205200000000, -0.0000193100000000, 0.0000119200000000 ] - [ 0.0000254000000000, 0.0000090400000000, 0.0000052700000000 ] - [ -0.0001030200000000, 0.0000208000000000, -0.0000573300000000 ] - [ 0.0000325500000000, -0.0000098000000000, -0.0000256900000000 ] - [ -0.0001030200000000, 0.0000208000000000, 0.0000573300000000 ] - [ 0.0000325500000000, -0.0000098000000000, 0.0000256900000000 ] - [ -0.0000205200000000, -0.0000193100000000, -0.0000119200000000 ] - [ 0.0000254000000000, 0.0000090400000000, -0.0000052700000000 ] - [ -0.0001076800000000, 0.0002133400000000, -0.0001131500000000 ] - [ 0.0001013700000000, -0.0000156200000000, -0.0001059100000000 ] - [ 0.0000648100000000, -0.0000161000000000, 0.0000091000000000 ] - [ -0.0002987400000000, -0.0003191900000000, -0.0000668700000000 ] - [ 0.0000781900000000, -0.0000781600000000, 0.0000188600000000 ] - [ -0.0000327800000000, 0.0000047800000000, 0.0000297200000000 ] - [ 0.0003490800000000, -0.0005364800000000, 0.0003760500000000 ] - [ 0.0036813600000000, -0.0044498200000000, -0.0028274500000000 ] - [ 0.0018099000000000, 0.0022955800000000, 0.0003597300000000 ] - [ 0.0023406900000000, 0.0022348000000000, 0.0002136800000000 ] - [ 0.0021202400000000, 0.0021024800000000, 0.0000000000000000 ] - [ 0.0020991300000000, 0.0021069200000000, 0.0000000000000000 ] - [ 0.0018099000000000, 0.0022955800000000, -0.0003597300000000 ] - [ 0.0023406900000000, 0.0022348000000000, -0.0002136800000000 ] - [ -0.0021981500000000, -0.0017885300000000, 0.0000000000000000 ] - [ -0.0021235800000000, 0.0021020800000000, 0.0000000000000000 ] - [ -0.0021488800000000, 0.0020848100000000, 0.0001443300000000 ] - [ -0.0020846800000000, 0.0021219500000000, 0.0000132800000000 ] - [ -0.0021488800000000, 0.0020848100000000, -0.0001443300000000 ] - [ -0.0020846800000000, 0.0021219500000000, -0.0000132800000000 ] - [ 0.0019065800000000, -0.0028067100000000, 0.0002665000000000 ] - [ 0.0021530500000000, -0.0021588600000000, -0.0000286400000000 ] - [ 0.0020714700000000, -0.0021856800000000, 0.0000000000000000 ] - [ 0.0021068700000000, -0.0021763800000000, 0.0000000000000000 ] - [ 0.0019065800000000, -0.0028067100000000, -0.0002665000000000 ] - [ 0.0021530500000000, -0.0021588600000000, 0.0000286400000000 ] - [ 0.0001256000000000, -0.0037466200000000, 0.0000000000000000 ] - [ -0.0010651100000000, -0.0028432000000000, 0.0000000000000000 ] - [ -0.0020596400000000, -0.0022099500000000, -0.0000059500000000 ] - [ -0.0021272000000000, -0.0021962900000000, 0.0000641000000000 ] - [ -0.0020596400000000, -0.0022099500000000, 0.0000059500000000 ] - [ -0.0021272000000000, -0.0021962900000000, -0.0000641000000000 ] - [ 0.0018632700000000, 0.0035477500000000, 0.0000000000000000 ] - [ 0.0025989100000000, 0.0022081100000000, 0.0000000000000000 ] - [ 0.0019899500000000, 0.0022894100000000, -0.0003367700000000 ] - [ 0.0021573000000000, 0.0022038400000000, 0.0000093200000000 ] - [ 0.0019899500000000, 0.0022894100000000, 0.0003367700000000 ] - [ 0.0021573000000000, 0.0022038400000000, -0.0000093200000000 ] - [ -0.0017170000000000, 0.0025007100000000, -0.0005548500000000 ] - [ -0.0022955700000000, 0.0022681300000000, -0.0000537300000000 ] - [ -0.0021286700000000, 0.0022241100000000, 0.0000000000000000 ] - [ -0.0021108700000000, 0.0022052000000000, 0.0000000000000000 ] - [ -0.0017170000000000, 0.0025007100000000, 0.0005548500000000 ] - [ -0.0022955700000000, 0.0022681300000000, 0.0000537300000000 ] - [ 0.0020456200000000, -0.0014873600000000, 0.0000000000000000 ] - [ 0.0020942800000000, -0.0019059500000000, 0.0000000000000000 ] - [ 0.0021241200000000, -0.0020376000000000, -0.0000272300000000 ] - [ 0.0021132100000000, -0.0020795300000000, 0.0000206000000000 ] - [ 0.0021241200000000, -0.0020376000000000, 0.0000272300000000 ] - [ 0.0021132100000000, -0.0020795300000000, -0.0000206000000000 ] - [ -0.0021969000000000, -0.0017101300000000, 0.0000378600000000 ] - [ -0.0020476300000000, -0.0020406700000000, 0.0000046600000000 ] - [ -0.0021346800000000, -0.0020984700000000, 0.0000000000000000 ] - [ -0.0020884000000000, -0.0021142400000000, 0.0000000000000000 ] - [ -0.0021969000000000, -0.0017101300000000, -0.0000378600000000 ] - [ -0.0020476300000000, -0.0020406700000000, -0.0000046600000000 ] - [ -0.0002162800000000, 0.0002570300000000, 0.0005860500000000 ] - [ -0.0001660000000000, 0.0003813900000000, 0.0000764900000000 ] - [ 0.0000263000000000, 0.0000004600000000, 0.0000118600000000 ] - [ -0.0000742100000000, -0.0000339800000000, 0.0000449200000000 ] - [ 0.0000918800000000, 0.0000308700000000, -0.0000379500000000 ] - [ 0.0003766300000000, 0.0002243200000000, -0.0005046600000000 ] - [ -0.0089920000000000, -0.0146942100000000, 0.0095951300000000 ] - [ -0.0000170800000000, -0.0006344100000000, -0.0004841200000000 ] - [ -0.0002039500000000, -0.0001290300000000, -0.0001337000000000 ] - [ -0.0000334200000000, -0.0001151400000000, -0.0000062100000000 ] - [ 0.0010599700000000, -0.0012218700000000, 0.0003162400000000 ] - [ 0.0002724800000000, -0.0005860700000000, -0.0002853800000000 ] - [ 0.0010599700000000, -0.0012218700000000, -0.0003162400000000 ] - [ 0.0002724800000000, -0.0005860700000000, 0.0002853800000000 ] - [ -0.0002039500000000, -0.0001290300000000, 0.0001337000000000 ] - [ -0.0000334200000000, -0.0001151400000000, 0.0000062100000000 ] - [ -0.0089920000000000, -0.0146942100000000, -0.0095951300000000 ] - [ -0.0000170800000000, -0.0006344100000000, 0.0004841200000000 ] - [ 0.0000918800000000, 0.0000308700000000, 0.0000379500000000 ] - [ 0.0003766300000000, 0.0002243200000000, 0.0005046600000000 ] - [ 0.0000263000000000, 0.0000004600000000, -0.0000118600000000 ] - [ -0.0000742100000000, -0.0000339800000000, -0.0000449200000000 ] - [ -0.0002162800000000, 0.0002570300000000, -0.0005860500000000 ] - [ -0.0001660000000000, 0.0003813900000000, -0.0000764900000000 ] - [ 0.0050486700000000, 0.0812793200000000, 0.0000000000000000 ] - [ -0.0069756500000000, 0.0350019400000000, 0.0000000000000000 ] - [ -0.0064682800000000, 0.0345219600000000, 0.0000193500000000 ] - [ -0.0068270600000000, 0.0341477000000000, -0.0001548200000000 ] - [ -0.0064682800000000, 0.0345219600000000, -0.0000193500000000 ] - [ -0.0068270600000000, 0.0341477000000000, 0.0001548200000000 ] - [ 0.0063362500000000, -0.0347733100000000, -0.0007706500000000 ] - [ 0.0066569900000000, -0.0339873200000000, -0.0001781700000000 ] - [ 0.0067480000000000, -0.0339233000000000, 0.0000000000000000 ] - [ 0.0066492700000000, -0.0339854600000000, 0.0000000000000000 ] - [ 0.0063362500000000, -0.0347733100000000, 0.0007706500000000 ] - [ 0.0066569900000000, -0.0339873200000000, 0.0001781700000000 ] - [ -0.0058691800000000, -0.0349735400000000, 0.0000000000000000 ] - [ -0.0070927100000000, -0.0349700500000000, 0.0000000000000000 ] - [ -0.0066832100000000, -0.0339791300000000, -0.0000314100000000 ] - [ -0.0067375700000000, -0.0339769500000000, -0.0001809000000000 ] - [ -0.0066832100000000, -0.0339791300000000, 0.0000314100000000 ] - [ -0.0067375700000000, -0.0339769500000000, 0.0001809000000000 ] - [ 0.0069881700000000, 0.0354665300000000, -0.0004182600000000 ] - [ 0.0062042500000000, 0.0349068800000000, -0.0007235500000000 ] - [ 0.0067168300000000, 0.0341209800000000, 0.0000000000000000 ] - [ 0.0067380300000000, 0.0340261200000000, 0.0000000000000000 ] - [ 0.0069881700000000, 0.0354665300000000, 0.0004182600000000 ] - [ 0.0062042500000000, 0.0349068800000000, 0.0007235500000000 ] - [ -0.0067336900000000, 0.0336735200000000, -0.0000670500000000 ] - [ -0.0067790600000000, 0.0336739700000000, -0.0001737100000000 ] - [ -0.0066858300000000, 0.0339659200000000, 0.0000000000000000 ] - [ -0.0067016700000000, 0.0339648000000000, 0.0000000000000000 ] - [ -0.0067336900000000, 0.0336735200000000, 0.0000670500000000 ] - [ -0.0067790600000000, 0.0336739700000000, 0.0001737100000000 ] - [ 0.0014621000000000, -0.0373539800000000, 0.0000000000000000 ] - [ 0.0079955800000000, -0.0336960000000000, 0.0000000000000000 ] - [ 0.0062183200000000, -0.0338255200000000, 0.0004043200000000 ] - [ 0.0067566300000000, -0.0339086000000000, 0.0000381000000000 ] - [ 0.0062183200000000, -0.0338255200000000, -0.0004043200000000 ] - [ 0.0067566300000000, -0.0339086000000000, -0.0000381000000000 ] - [ -0.0070005300000000, -0.0341072600000000, 0.0031332500000000 ] - [ -0.0069265000000000, -0.0336927300000000, 0.0005183200000000 ] - [ -0.0067128800000000, -0.0339540300000000, 0.0000000000000000 ] - [ -0.0067603400000000, -0.0339266800000000, 0.0000000000000000 ] - [ -0.0070005300000000, -0.0341072600000000, -0.0031332500000000 ] - [ -0.0069265000000000, -0.0336927300000000, -0.0005183200000000 ] - [ 0.0069257600000000, 0.0331626700000000, 0.0000000000000000 ] - [ 0.0067540500000000, 0.0333547100000000, 0.0000000000000000 ] - [ 0.0067797300000000, 0.0337438600000000, -0.0001711600000000 ] - [ 0.0066459400000000, 0.0339522300000000, -0.0000515500000000 ] - [ 0.0067797300000000, 0.0337438600000000, 0.0001711600000000 ] - [ 0.0066459400000000, 0.0339522300000000, 0.0000515500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003194100000000, 0.0003024100000000, 0.0005244000000000 ] - [ 0.0038940000000000, -0.0025748400000000, 0.0042734300000000 ] - [ 0.0000590200000000, -0.0000374500000000, -0.0002383600000000 ] - [ -0.0000743800000000, 0.0000465200000000, -0.0001837600000000 ] - [ -0.0004532400000000, -0.0004514000000000, -0.0001543700000000 ] - [ 0.0003891700000000, 0.0000895400000000, -0.0004463800000000 ] - [ 0.0000470700000000, -0.0000191500000000, 0.0001502700000000 ] - [ -0.0000069900000000, 0.0000235900000000, 0.0001090900000000 ] - [ 0.0000250500000000, 0.0000190000000000, -0.0000978800000000 ] - [ -0.0000105600000000, -0.0000155200000000, -0.0000724300000000 ] - [ -0.0000838000000000, -0.0000095200000000, -0.0000512100000000 ] - [ 0.0000233600000000, -0.0000058100000000, -0.0000364800000000 ] - [ 0.0000843300000000, 0.0000102600000000, -0.0000511500000000 ] - [ -0.0000220100000000, 0.0000068800000000, -0.0000364800000000 ] - [ -0.0000228800000000, -0.0000186500000000, -0.0000984100000000 ] - [ 0.0000110900000000, 0.0000154600000000, -0.0000723000000000 ] - [ -0.0000464200000000, 0.0000203400000000, 0.0001490200000000 ] - [ 0.0000084300000000, -0.0000229800000000, 0.0001073000000000 ] - [ 0.0004524700000000, 0.0004533400000000, -0.0001528200000000 ] - [ -0.0003892900000000, -0.0000882400000000, -0.0004475900000000 ] - [ -0.0000578500000000, 0.0000389300000000, -0.0002385000000000 ] - [ 0.0000747100000000, -0.0000464600000000, -0.0001836400000000 ] - [ -0.0003205000000000, -0.0002996900000000, 0.0005208600000000 ] - [ -0.0037989500000000, 0.0025064400000000, 0.0042206100000000 ] - [ 0.0023724700000000, 0.0015726000000000, -0.0000531500000000 ] - [ 0.0019093500000000, 0.0019431900000000, -0.0000157700000000 ] - [ 0.0021073300000000, 0.0021511600000000, -0.0001247500000000 ] - [ 0.0021066100000000, 0.0021525100000000, -0.0001248700000000 ] - [ 0.0018423900000000, 0.0027302700000000, -0.0000534100000000 ] - [ 0.0023038700000000, 0.0023602600000000, -0.0000169800000000 ] - [ -0.0021089200000000, 0.0021376400000000, 0.0011415300000000 ] - [ -0.0021055200000000, 0.0021523600000000, 0.0001450600000000 ] - [ -0.0021262900000000, 0.0020088900000000, -0.0001933300000000 ] - [ -0.0020959400000000, 0.0020444300000000, -0.0000815500000000 ] - [ -0.0020857200000000, 0.0022946400000000, -0.0001928500000000 ] - [ -0.0021160000000000, 0.0022588600000000, -0.0000815900000000 ] - [ 0.0023249900000000, -0.0014904800000000, 0.0020854700000000 ] - [ 0.0024121000000000, -0.0022659900000000, 0.0001666400000000 ] - [ 0.0021066200000000, -0.0021519400000000, -0.0002945500000000 ] - [ 0.0021064600000000, -0.0021515600000000, -0.0002394600000000 ] - [ 0.0019067100000000, -0.0027588600000000, 0.0019396300000000 ] - [ 0.0018014600000000, -0.0020371100000000, 0.0001658400000000 ] - [ -0.0020927000000000, -0.0021551100000000, 0.0010099600000000 ] - [ -0.0021047800000000, -0.0021538400000000, 0.0013056700000000 ] - [ -0.0021486100000000, -0.0024159300000000, -0.0005096500000000 ] - [ -0.0021327800000000, -0.0022199100000000, -0.0001802100000000 ] - [ -0.0020631400000000, -0.0018871700000000, -0.0005098100000000 ] - [ -0.0020790900000000, -0.0020833600000000, -0.0001800100000000 ] - [ 0.0021070200000000, 0.0021499800000000, 0.0009877400000000 ] - [ 0.0021051500000000, 0.0021526100000000, 0.0001628400000000 ] - [ 0.0018886400000000, 0.0022491900000000, -0.0005587300000000 ] - [ 0.0021901700000000, 0.0022339600000000, -0.0000890400000000 ] - [ 0.0023254900000000, 0.0020546000000000, -0.0005598100000000 ] - [ 0.0020226600000000, 0.0020701900000000, -0.0000897100000000 ] - [ -0.0015152800000000, 0.0026616800000000, 0.0002270200000000 ] - [ -0.0024534900000000, 0.0022424600000000, 0.0001039700000000 ] - [ -0.0021054400000000, 0.0021520900000000, -0.0003544100000000 ] - [ -0.0021059000000000, 0.0021525900000000, -0.0001536900000000 ] - [ -0.0026964400000000, 0.0016410500000000, 0.0002225300000000 ] - [ -0.0017595100000000, 0.0020616100000000, 0.0001024000000000 ] - [ 0.0021066000000000, -0.0021534300000000, 0.0000947600000000 ] - [ 0.0021064700000000, -0.0021518800000000, 0.0001703200000000 ] - [ 0.0022110300000000, -0.0019698500000000, -0.0000870900000000 ] - [ 0.0020483000000000, -0.0021069000000000, -0.0000961000000000 ] - [ 0.0020039700000000, -0.0023330800000000, -0.0000866800000000 ] - [ 0.0021650000000000, -0.0021962400000000, -0.0000956500000000 ] - [ -0.0021813600000000, -0.0017443300000000, 0.0001753100000000 ] - [ -0.0021422900000000, -0.0020990400000000, 0.0000547300000000 ] - [ -0.0021058200000000, -0.0021516500000000, -0.0001952300000000 ] - [ -0.0021066200000000, -0.0021506000000000, -0.0000962800000000 ] - [ -0.0020305400000000, -0.0025591600000000, 0.0001739700000000 ] - [ -0.0020693900000000, -0.0022051800000000, 0.0000534100000000 ] - [ -0.0000771700000000, 0.0000685900000000, 0.0004674200000000 ] - [ -0.0001805300000000, -0.0000958600000000, 0.0007051200000000 ] - [ 0.0000360300000000, -0.0000297700000000, -0.0003465300000000 ] - [ -0.0001051900000000, 0.0000788600000000, -0.0004828300000000 ] - [ -0.0000051400000000, 0.0000197700000000, -0.0000655200000000 ] - [ 0.0003644000000000, 0.0000781300000000, -0.0003446100000000 ] - [ -0.0081149800000000, -0.0086373300000000, 0.0149207300000000 ] - [ -0.0002608300000000, 0.0003088000000000, 0.0010725900000000 ] - [ -0.0000368800000000, -0.0000457700000000, -0.0011255700000000 ] - [ 0.0000897600000000, 0.0001986100000000, -0.0007895900000000 ] - [ 0.0001281200000000, 0.0001236600000000, -0.0017502200000000 ] - [ 0.0001061400000000, -0.0008215500000000, -0.0005779800000000 ] - [ -0.0001261900000000, -0.0001239800000000, -0.0017546200000000 ] - [ -0.0001032100000000, 0.0008234900000000, -0.0005779200000000 ] - [ 0.0000401100000000, 0.0000511300000000, -0.0011285000000000 ] - [ -0.0000874200000000, -0.0001966400000000, -0.0007902800000000 ] - [ 0.0077335100000000, 0.0082356500000000, 0.0146019200000000 ] - [ 0.0002642300000000, -0.0003040800000000, 0.0010653300000000 ] - [ 0.0000018200000000, -0.0000163400000000, -0.0000610200000000 ] - [ -0.0003666100000000, -0.0000789100000000, -0.0003456800000000 ] - [ -0.0000354400000000, 0.0000319300000000, -0.0003497500000000 ] - [ 0.0001066700000000, -0.0000788500000000, -0.0004814100000000 ] - [ 0.0000763600000000, -0.0000653300000000, 0.0004651400000000 ] - [ 0.0001782700000000, 0.0000982000000000, 0.0006976200000000 ] - [ -0.0064587000000000, 0.0344226900000000, -0.0550824800000000 ] - [ -0.0066787800000000, 0.0340018900000000, -0.0007792100000000 ] - [ -0.0066713500000000, 0.0340232700000000, 0.0011859000000000 ] - [ -0.0068257900000000, 0.0338471300000000, 0.0008914000000000 ] - [ -0.0066875700000000, 0.0339804200000000, 0.0011808000000000 ] - [ -0.0065284200000000, 0.0341574800000000, 0.0008900100000000 ] - [ 0.0070766500000000, -0.0332289400000000, 0.0001953200000000 ] - [ 0.0066609500000000, -0.0338207100000000, -0.0001491200000000 ] - [ 0.0066804200000000, -0.0339997400000000, 0.0004310600000000 ] - [ 0.0066796100000000, -0.0339996900000000, 0.0002841300000000 ] - [ 0.0062812700000000, -0.0347731700000000, 0.0001967700000000 ] - [ 0.0066983600000000, -0.0341773300000000, -0.0001477100000000 ] - [ -0.0066790000000000, -0.0340012200000000, -0.0007134700000000 ] - [ -0.0066801700000000, -0.0340039300000000, -0.0007130400000000 ] - [ -0.0067843100000000, -0.0338202800000000, 0.0002324300000000 ] - [ -0.0065995500000000, -0.0339679800000000, 0.0002329800000000 ] - [ -0.0065719600000000, -0.0341823400000000, 0.0002343800000000 ] - [ -0.0067577200000000, -0.0340324300000000, 0.0002330100000000 ] - [ 0.0035328900000000, 0.0335923100000000, 0.0031438900000000 ] - [ 0.0079584700000000, 0.0332746400000000, 0.0007378000000000 ] - [ 0.0066802400000000, 0.0340001400000000, 0.0009947100000000 ] - [ 0.0066786100000000, 0.0340014100000000, 0.0006484200000000 ] - [ 0.0097908800000000, 0.0344159900000000, 0.0031254300000000 ] - [ 0.0054049300000000, 0.0347227000000000, 0.0007392700000000 ] - [ -0.0068521400000000, 0.0338257600000000, -0.0002426200000000 ] - [ -0.0064411500000000, 0.0339345800000000, -0.0002434000000000 ] - [ -0.0066782500000000, 0.0340016900000000, 0.0003660400000000 ] - [ -0.0066791100000000, 0.0339991900000000, 0.0003660200000000 ] - [ -0.0065042100000000, 0.0341759400000000, -0.0002405800000000 ] - [ -0.0069146900000000, 0.0340688900000000, -0.0002412200000000 ] - [ 0.0066901600000000, -0.0339860200000000, -0.0025737100000000 ] - [ 0.0066738900000000, -0.0339969700000000, -0.0014975000000000 ] - [ 0.0063096400000000, -0.0344111700000000, 0.0013426000000000 ] - [ 0.0068229000000000, -0.0340396000000000, 0.0004007600000000 ] - [ 0.0070448400000000, -0.0335948500000000, 0.0013449500000000 ] - [ 0.0065358900000000, -0.0339632600000000, 0.0004011900000000 ] - [ -0.0069840700000000, -0.0371556700000000, 0.0030033900000000 ] - [ -0.0068365900000000, -0.0345204700000000, -0.0005267000000000 ] - [ -0.0066784200000000, -0.0340009000000000, 0.0010934600000000 ] - [ -0.0066784700000000, -0.0340019400000000, 0.0007202700000000 ] - [ -0.0063660900000000, -0.0308873000000000, 0.0029820200000000 ] - [ -0.0065205300000000, -0.0334822400000000, -0.0005218000000000 ] - [ 0.0066795400000000, 0.0340004900000000, -0.0006000800000000 ] - [ 0.0066810200000000, 0.0340002000000000, -0.0003110300000000 ] - [ 0.0068288900000000, 0.0338249400000000, 0.0004836900000000 ] - [ 0.0066679100000000, 0.0339494900000000, 0.0001621600000000 ] - [ 0.0065331200000000, 0.0341718900000000, 0.0004832700000000 ] - [ 0.0066896100000000, 0.0340533800000000, 0.0001646300000000 ]