# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2d8643b2-8b71-4500-94d5-33f7a6c58009/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 K2NaInAs2 / Ibam (72) / materials id 21510](https://mdr.nims.go.jp/datasets/8b029aa2-7cc2-4b21-99c2-e7edbb455bdd) ## 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:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -3.361182120000000, 7.642596615000000, 3.367406095000000 ] # a - [ 3.361182120000000, -7.642596615000000, 3.367406095000000 ] # b - [ 3.361182120000000, 7.642596615000000, -3.367406095000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: K # 3 coordinates: [ 0.675364170000000, 0.740233410000000, 0.415597580000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.824635830000000, 0.240233410000000, 0.064869240000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.175364170000000, 0.759766590000000, 0.935130760000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.324635830000000, 0.259766590000000, 0.584402420000000 ] mass: 39.098300 - symbol: As # 7 coordinates: [ 0.397882000000000, 0.782416100000000, 0.180298100000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.602118000000000, 0.217583900000000, 0.819701900000000 ] mass: 74.921600 - symbol: As # 9 coordinates: [ 0.102118000000000, 0.282416100000000, 0.384534100000000 ] mass: 74.921600 - symbol: As # 10 coordinates: [ 0.897882000000000, 0.717583900000000, 0.615465900000000 ] mass: 74.921600 - symbol: In # 11 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 114.818000 - symbol: In # 12 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 114.818000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.065422790863861, 0.148482240007349 ] # a* - [ 0.148757187843187, 0.000000000000000, 0.148482240007349 ] # b* - [ 0.148757187843187, 0.065422790863861, 0.000000000000000 ] # c*unit_cell: lattice: - [ 6.722364240000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.285193230000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.734812190000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: K # 5 coordinates: [ 0.240233410000000, 0.175364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.740233410000000, 0.324635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.759766590000000, 0.175364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.259766590000000, 0.324635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.740233410000000, 0.675364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 10 coordinates: [ 0.240233410000000, 0.824635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 11 coordinates: [ 0.259766590000000, 0.675364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 12 coordinates: [ 0.759766590000000, 0.824635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 8 - symbol: As # 13 coordinates: [ 0.782416100000000, 0.397882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 14 coordinates: [ 0.717583900000000, 0.102118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 14 - symbol: As # 15 coordinates: [ 0.282416100000000, 0.102118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 15 - symbol: As # 16 coordinates: [ 0.217583900000000, 0.397882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 16 - symbol: As # 17 coordinates: [ 0.282416100000000, 0.897882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 18 coordinates: [ 0.217583900000000, 0.602118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 14 - symbol: As # 19 coordinates: [ 0.782416100000000, 0.602118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 15 - symbol: As # 20 coordinates: [ 0.717583900000000, 0.897882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 16 - symbol: In # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 22 - symbol: In # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 22supercell: lattice: - [ 20.167092719999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.285193230000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.469624380000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.333333333333333, 0.000000000000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.666666666666667, 0.000000000000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.333333333333333, 0.000000000000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.666666666666667, 0.000000000000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 11 coordinates: [ 0.333333333333333, 0.000000000000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 12 coordinates: [ 0.666666666666667, 0.000000000000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 13 coordinates: [ 0.166666666666667, 0.500000000000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 15 coordinates: [ 0.833333333333333, 0.500000000000000, 0.125000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 16 coordinates: [ 0.166666666666667, 0.500000000000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.833333333333333, 0.500000000000000, 0.625000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.166666666666667, 0.500000000000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 21 coordinates: [ 0.833333333333333, 0.500000000000000, 0.375000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 22 coordinates: [ 0.166666666666667, 0.500000000000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 24 coordinates: [ 0.833333333333333, 0.500000000000000, 0.875000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: K # 25 coordinates: [ 0.080077803333333, 0.175364170000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.413411136666667, 0.175364170000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 27 coordinates: [ 0.746744470000000, 0.175364170000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 28 coordinates: [ 0.080077803333333, 0.175364170000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 29 coordinates: [ 0.413411136666667, 0.175364170000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 30 coordinates: [ 0.746744470000000, 0.175364170000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 31 coordinates: [ 0.246744470000000, 0.324635830000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.580077803333333, 0.324635830000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 33 coordinates: [ 0.913411136666667, 0.324635830000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 34 coordinates: [ 0.246744470000000, 0.324635830000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 35 coordinates: [ 0.580077803333333, 0.324635830000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 36 coordinates: [ 0.913411136666667, 0.324635830000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 37 coordinates: [ 0.253255530000000, 0.175364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 38 coordinates: [ 0.586588863333333, 0.175364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 39 coordinates: [ 0.919922196666667, 0.175364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 40 coordinates: [ 0.253255530000000, 0.175364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 41 coordinates: [ 0.586588863333333, 0.175364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 42 coordinates: [ 0.919922196666667, 0.175364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 43 coordinates: [ 0.086588863333333, 0.324635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 44 coordinates: [ 0.419922196666667, 0.324635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 45 coordinates: [ 0.753255530000000, 0.324635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 46 coordinates: [ 0.086588863333333, 0.324635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 47 coordinates: [ 0.419922196666667, 0.324635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 48 coordinates: [ 0.753255530000000, 0.324635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 49 coordinates: [ 0.246744470000000, 0.675364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 50 coordinates: [ 0.580077803333333, 0.675364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 51 coordinates: [ 0.913411136666667, 0.675364170000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 52 coordinates: [ 0.246744470000000, 0.675364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 53 coordinates: [ 0.580077803333333, 0.675364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 54 coordinates: [ 0.913411136666667, 0.675364170000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 55 coordinates: [ 0.080077803333333, 0.824635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 56 coordinates: [ 0.413411136666667, 0.824635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 57 coordinates: [ 0.746744470000000, 0.824635830000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 58 coordinates: [ 0.080077803333333, 0.824635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 59 coordinates: [ 0.413411136666667, 0.824635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 60 coordinates: [ 0.746744470000000, 0.824635830000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 61 coordinates: [ 0.086588863333333, 0.675364170000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 62 coordinates: [ 0.419922196666667, 0.675364170000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 63 coordinates: [ 0.753255530000000, 0.675364170000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 64 coordinates: [ 0.086588863333333, 0.675364170000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 65 coordinates: [ 0.419922196666667, 0.675364170000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 66 coordinates: [ 0.753255530000000, 0.675364170000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 67 coordinates: [ 0.253255530000000, 0.824635830000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 68 coordinates: [ 0.586588863333333, 0.824635830000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 69 coordinates: [ 0.919922196666667, 0.824635830000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 70 coordinates: [ 0.253255530000000, 0.824635830000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 71 coordinates: [ 0.586588863333333, 0.824635830000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 72 coordinates: [ 0.919922196666667, 0.824635830000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: As # 73 coordinates: [ 0.260805366666667, 0.397882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 74 coordinates: [ 0.594138700000000, 0.397882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 75 coordinates: [ 0.927472033333333, 0.397882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 76 coordinates: [ 0.260805366666667, 0.397882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 77 coordinates: [ 0.594138700000000, 0.397882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 78 coordinates: [ 0.927472033333333, 0.397882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 79 coordinates: [ 0.239194633333333, 0.102118000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 80 coordinates: [ 0.572527966666667, 0.102118000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 81 coordinates: [ 0.905861300000000, 0.102118000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 82 coordinates: [ 0.239194633333333, 0.102118000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 83 coordinates: [ 0.572527966666667, 0.102118000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 84 coordinates: [ 0.905861300000000, 0.102118000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 85 coordinates: [ 0.094138700000000, 0.102118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 86 coordinates: [ 0.427472033333333, 0.102118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 87 coordinates: [ 0.760805366666667, 0.102118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 88 coordinates: [ 0.094138700000000, 0.102118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 89 coordinates: [ 0.427472033333333, 0.102118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 90 coordinates: [ 0.760805366666667, 0.102118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 91 coordinates: [ 0.072527966666667, 0.397882000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 92 coordinates: [ 0.405861300000000, 0.397882000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 93 coordinates: [ 0.739194633333333, 0.397882000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 94 coordinates: [ 0.072527966666667, 0.397882000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 95 coordinates: [ 0.405861300000000, 0.397882000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 96 coordinates: [ 0.739194633333333, 0.397882000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 97 coordinates: [ 0.094138700000000, 0.897882000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 98 coordinates: [ 0.427472033333333, 0.897882000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 99 coordinates: [ 0.760805366666667, 0.897882000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 100 coordinates: [ 0.094138700000000, 0.897882000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 101 coordinates: [ 0.427472033333333, 0.897882000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 102 coordinates: [ 0.760805366666667, 0.897882000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 73 - symbol: As # 103 coordinates: [ 0.072527966666667, 0.602118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 104 coordinates: [ 0.405861300000000, 0.602118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 105 coordinates: [ 0.739194633333333, 0.602118000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 106 coordinates: [ 0.072527966666667, 0.602118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 107 coordinates: [ 0.405861300000000, 0.602118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 108 coordinates: [ 0.739194633333333, 0.602118000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 79 - symbol: As # 109 coordinates: [ 0.260805366666667, 0.602118000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 110 coordinates: [ 0.594138700000000, 0.602118000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 111 coordinates: [ 0.927472033333333, 0.602118000000000, 0.250000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 112 coordinates: [ 0.260805366666667, 0.602118000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 113 coordinates: [ 0.594138700000000, 0.602118000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 114 coordinates: [ 0.927472033333333, 0.602118000000000, 0.750000000000000 ] mass: 74.921600 reduced_to: 85 - symbol: As # 115 coordinates: [ 0.239194633333333, 0.897882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 116 coordinates: [ 0.572527966666667, 0.897882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 117 coordinates: [ 0.905861300000000, 0.897882000000000, 0.000000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 118 coordinates: [ 0.239194633333333, 0.897882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 119 coordinates: [ 0.572527966666667, 0.897882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: As # 120 coordinates: [ 0.905861300000000, 0.897882000000000, 0.500000000000000 ] mass: 74.921600 reduced_to: 91 - symbol: In # 121 coordinates: [ 0.000000000000000, 0.500000000000000, 0.375000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 122 coordinates: [ 0.333333333333333, 0.500000000000000, 0.375000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 123 coordinates: [ 0.666666666666667, 0.500000000000000, 0.375000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 124 coordinates: [ 0.000000000000000, 0.500000000000000, 0.875000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 125 coordinates: [ 0.333333333333333, 0.500000000000000, 0.875000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 126 coordinates: [ 0.666666666666667, 0.500000000000000, 0.875000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 127 coordinates: [ 0.000000000000000, 0.500000000000000, 0.125000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 128 coordinates: [ 0.333333333333333, 0.500000000000000, 0.125000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 129 coordinates: [ 0.666666666666667, 0.500000000000000, 0.125000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 130 coordinates: [ 0.000000000000000, 0.500000000000000, 0.625000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 131 coordinates: [ 0.333333333333333, 0.500000000000000, 0.625000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 132 coordinates: [ 0.666666666666667, 0.500000000000000, 0.625000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 133 coordinates: [ 0.166666666666667, 0.000000000000000, 0.125000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 134 coordinates: [ 0.500000000000000, 0.000000000000000, 0.125000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 135 coordinates: [ 0.833333333333333, 0.000000000000000, 0.125000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 136 coordinates: [ 0.166666666666667, 0.000000000000000, 0.625000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 137 coordinates: [ 0.500000000000000, 0.000000000000000, 0.625000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 138 coordinates: [ 0.833333333333333, 0.000000000000000, 0.625000000000000 ] mass: 114.818000 reduced_to: 121 - symbol: In # 139 coordinates: [ 0.166666666666667, 0.000000000000000, 0.375000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 140 coordinates: [ 0.500000000000000, 0.000000000000000, 0.375000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 141 coordinates: [ 0.833333333333333, 0.000000000000000, 0.375000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 142 coordinates: [ 0.166666666666667, 0.000000000000000, 0.875000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 143 coordinates: [ 0.500000000000000, 0.000000000000000, 0.875000000000000 ] mass: 114.818000 reduced_to: 127 - symbol: In # 144 coordinates: [ 0.833333333333333, 0.000000000000000, 0.875000000000000 ] mass: 114.818000 reduced_to: 127born_effective_charge:- # 1 (Na) - [ 1.406788880000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.163265250000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 0.864258280000000 ]- # 2 (Na) - [ 1.406788880000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.163265250000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 0.864258280000000 ]- # 3 (K) - [ 1.032356790000000, -0.318929780000000, 0.000000000000000 ] - [ -0.059507920000000, 1.398075030000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.149086290000000 ]- # 4 (K) - [ 1.032356790000000, 0.318929780000000, -0.000000000000000 ] - [ 0.059507920000000, 1.398075030000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.149086290000000 ]- # 5 (K) - [ 1.032356790000000, 0.318929780000000, -0.000000000000000 ] - [ 0.059507920000000, 1.398075030000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 1.149086290000000 ]- # 6 (K) - [ 1.032356790000000, -0.318929780000000, 0.000000000000000 ] - [ -0.059507920000000, 1.398075030000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.149086290000000 ]- # 7 (As) - [ -2.448087970000000, -0.857461130000000, 0.000000000000000 ] - [ -0.561747350000000, -1.936010460000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.373323710000000 ]- # 8 (As) - [ -2.448087970000000, -0.857461130000000, 0.000000000000000 ] - [ -0.561747350000000, -1.936010460000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -3.373323710000000 ]- # 9 (As) - [ -2.448087970000000, 0.857461130000000, -0.000000000000000 ] - [ 0.561747350000000, -1.936010460000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.373323710000000 ]- # 10 (As) - [ -2.448087970000000, 0.857461130000000, -0.000000000000000 ] - [ 0.561747350000000, -1.936010460000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, -3.373323710000000 ]- # 11 (In) - [ 1.424673490000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 0.912605610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.584216550000000 ]- # 12 (In) - [ 1.424673490000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 0.912605610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.584216550000000 ]dielectric_constant: - [ 16.493254260000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 8.934920990000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 14.999788690000001 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0293996400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002559000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000766200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002824900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002291400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000529700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0010947200000000, 0.0001277000000000, 0.0000072400000000 ] - [ 0.0002509600000000, -0.0000462200000000, -0.0000211700000000 ] - [ 0.0000743200000000, -0.0000458900000000, 0.0000208400000000 ] - [ -0.0010947200000000, -0.0001277000000000, -0.0000072400000000 ] - [ 0.0002509600000000, 0.0000462200000000, 0.0000211700000000 ] - [ 0.0000743200000000, 0.0000458900000000, -0.0000208400000000 ] - [ -0.0001110200000000, -0.0000114900000000, -0.0000032600000000 ] - [ 0.0000661500000000, 0.0000062500000000, 0.0000000100000000 ] - [ 0.0000653500000000, -0.0000116300000000, 0.0000032600000000 ] - [ -0.0001110200000000, 0.0000114900000000, 0.0000032600000000 ] - [ 0.0000661500000000, -0.0000062500000000, -0.0000000100000000 ] - [ 0.0000653500000000, 0.0000116300000000, -0.0000032600000000 ] - [ -0.0001157800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000726200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000604200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001042300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000586500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000723200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0047415300000000, 0.0014551000000000, -0.0011117000000000 ] - [ 0.0047366300000000, -0.0003244700000000, 0.0000072700000000 ] - [ 0.0048819100000000, -0.0004500300000000, 0.0000315700000000 ] - [ 0.0044309000000000, -0.0002266000000000, 0.0002154400000000 ] - [ 0.0047048200000000, -0.0003166600000000, -0.0000086300000000 ] - [ 0.0046724900000000, -0.0003998000000000, -0.0000313900000000 ] - [ 0.0046181100000000, 0.0004430700000000, -0.0000147400000000 ] - [ 0.0046739700000000, 0.0003224500000000, 0.0000071800000000 ] - [ 0.0045219800000000, 0.0000763100000000, -0.0000357800000000 ] - [ 0.0046390400000000, 0.0004202900000000, 0.0000227600000000 ] - [ 0.0046650300000000, 0.0003162900000000, -0.0000068700000000 ] - [ 0.0045393000000000, 0.0002471600000000, 0.0000155300000000 ] - [ -0.0045490900000000, -0.0002424500000000, -0.0000318000000000 ] - [ -0.0045191700000000, -0.0003263900000000, -0.0000086200000000 ] - [ -0.0047933900000000, -0.0004050900000000, 0.0002162600000000 ] - [ -0.0043391400000000, -0.0001908800000000, 0.0000327700000000 ] - [ -0.0044878800000000, -0.0003186300000000, 0.0000072300000000 ] - [ -0.0044756800000000, -0.0020797200000000, -0.0011086600000000 ] - [ -0.0046850000000000, 0.0003963900000000, 0.0000154300000000 ] - [ -0.0045576300000000, 0.0003153200000000, -0.0000070200000000 ] - [ -0.0045831300000000, 0.0002212700000000, 0.0000231900000000 ] - [ -0.0047014100000000, 0.0005665000000000, -0.0000357000000000 ] - [ -0.0045491300000000, 0.0003091500000000, 0.0000072500000000 ] - [ -0.0046041600000000, 0.0001990800000000, -0.0000152100000000 ] - [ 0.0046390400000000, -0.0004202900000000, -0.0000227600000000 ] - [ 0.0046650300000000, -0.0003162900000000, 0.0000068700000000 ] - [ 0.0045393000000000, -0.0002471600000000, -0.0000155300000000 ] - [ 0.0046181100000000, -0.0004430700000000, 0.0000147400000000 ] - [ 0.0046739700000000, -0.0003224500000000, -0.0000071800000000 ] - [ 0.0045219800000000, -0.0000763100000000, 0.0000357800000000 ] - [ 0.0044309000000000, 0.0002266000000000, -0.0002154400000000 ] - [ 0.0047048200000000, 0.0003166600000000, 0.0000086300000000 ] - [ 0.0046724900000000, 0.0003998000000000, 0.0000313900000000 ] - [ 0.0047415300000000, -0.0014551000000000, 0.0011117000000000 ] - [ 0.0047366300000000, 0.0003244700000000, -0.0000072700000000 ] - [ 0.0048819100000000, 0.0004500300000000, -0.0000315700000000 ] - [ -0.0047014100000000, -0.0005665000000000, 0.0000357000000000 ] - [ -0.0045491300000000, -0.0003091500000000, -0.0000072500000000 ] - [ -0.0046041600000000, -0.0001990800000000, 0.0000152100000000 ] - [ -0.0046850000000000, -0.0003963900000000, -0.0000154300000000 ] - [ -0.0045576300000000, -0.0003153200000000, 0.0000070200000000 ] - [ -0.0045831300000000, -0.0002212700000000, -0.0000231900000000 ] - [ -0.0043391400000000, 0.0001908800000000, -0.0000327700000000 ] - [ -0.0044878800000000, 0.0003186300000000, -0.0000072300000000 ] - [ -0.0044756800000000, 0.0020797200000000, 0.0011086600000000 ] - [ -0.0045490900000000, 0.0002424500000000, 0.0000318000000000 ] - [ -0.0045191700000000, 0.0003263900000000, 0.0000086200000000 ] - [ -0.0047933900000000, 0.0004050900000000, -0.0002162600000000 ] - [ 0.0002757500000000, -0.0147396500000000, 0.0000176800000000 ] - [ 0.0001395400000000, -0.0147115900000000, -0.0000079600000000 ] - [ 0.0004712900000000, -0.0145581000000000, -0.0000571000000000 ] - [ 0.0002281900000000, -0.0148013800000000, -0.0000148200000000 ] - [ 0.0001114800000000, -0.0147039800000000, 0.0000085000000000 ] - [ 0.0005125500000000, -0.0145881200000000, 0.0000454500000000 ] - [ -0.0008099900000000, 0.0143474000000000, 0.0003258400000000 ] - [ -0.0005182400000000, 0.0146648500000000, -0.0000193500000000 ] - [ 0.0035284700000000, 0.0117830700000000, 0.0028310200000000 ] - [ -0.0006628200000000, 0.0145656400000000, -0.0003551800000000 ] - [ -0.0005138300000000, 0.0146400700000000, 0.0000122900000000 ] - [ 0.0000958500000000, 0.0150862600000000, 0.0002557000000000 ] - [ 0.0005835000000000, 0.0142985700000000, 0.0002573600000000 ] - [ 0.0000079800000000, 0.0147853200000000, 0.0000126800000000 ] - [ -0.0000202400000000, 0.0147974500000000, -0.0003581400000000 ] - [ 0.0040947800000000, 0.0176811500000000, 0.0029238800000000 ] - [ 0.0000029400000000, 0.0147593000000000, -0.0000194700000000 ] - [ -0.0001669800000000, 0.0150163000000000, 0.0003246300000000 ] - [ -0.0000093900000000, -0.0148371600000000, 0.0000453700000000 ] - [ -0.0003756800000000, -0.0146829200000000, 0.0000083900000000 ] - [ -0.0004147300000000, -0.0145640300000000, -0.0000146100000000 ] - [ -0.0000500700000000, -0.0148672200000000, -0.0000571500000000 ] - [ -0.0003468900000000, -0.0146762400000000, -0.0000078200000000 ] - [ -0.0003668500000000, -0.0146263000000000, 0.0000176200000000 ] - [ 0.0040947800000000, -0.0176811500000000, -0.0029238800000000 ] - [ 0.0000029400000000, -0.0147593000000000, 0.0000194700000000 ] - [ -0.0001669800000000, -0.0150163000000000, -0.0003246300000000 ] - [ 0.0005835000000000, -0.0142985700000000, -0.0002573600000000 ] - [ 0.0000079800000000, -0.0147853200000000, -0.0000126800000000 ] - [ -0.0000202400000000, -0.0147974500000000, 0.0003581400000000 ] - [ -0.0000500700000000, 0.0148672200000000, 0.0000571500000000 ] - [ -0.0003468900000000, 0.0146762400000000, 0.0000078200000000 ] - [ -0.0003668500000000, 0.0146263000000000, -0.0000176200000000 ] - [ -0.0000093900000000, 0.0148371600000000, -0.0000453700000000 ] - [ -0.0003756800000000, 0.0146829200000000, -0.0000083900000000 ] - [ -0.0004147300000000, 0.0145640300000000, 0.0000146100000000 ] - [ 0.0002281900000000, 0.0148013800000000, 0.0000148200000000 ] - [ 0.0001114800000000, 0.0147039800000000, -0.0000085000000000 ] - [ 0.0005125500000000, 0.0145881200000000, -0.0000454500000000 ] - [ 0.0002757500000000, 0.0147396500000000, -0.0000176800000000 ] - [ 0.0001395400000000, 0.0147115900000000, 0.0000079600000000 ] - [ 0.0004712900000000, 0.0145581000000000, 0.0000571000000000 ] - [ -0.0006628200000000, -0.0145656400000000, 0.0003551800000000 ] - [ -0.0005138300000000, -0.0146400700000000, -0.0000122900000000 ] - [ 0.0000958500000000, -0.0150862600000000, -0.0002557000000000 ] - [ -0.0008099900000000, -0.0143474000000000, -0.0003258400000000 ] - [ -0.0005182400000000, -0.0146648500000000, 0.0000193500000000 ] - [ 0.0035284700000000, -0.0117830700000000, -0.0028310200000000 ] - [ -0.0001569600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001115400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000272100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002740100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001071300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000229000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002008200000000, -0.0000148900000000, -0.0000002600000000 ] - [ 0.0001070700000000, -0.0000070700000000, -0.0000427500000000 ] - [ 0.0000228200000000, -0.0000067900000000, 0.0000429600000000 ] - [ -0.0002008200000000, 0.0000148900000000, 0.0000002600000000 ] - [ 0.0001070700000000, 0.0000070700000000, 0.0000427500000000 ] - [ 0.0000228200000000, 0.0000067900000000, -0.0000429600000000 ] - [ 0.0005890700000000, 0.0005442800000000, -0.0007269500000000 ] - [ 0.0001454800000000, -0.0000027500000000, -0.0000000900000000 ] - [ 0.0006703300000000, 0.0005504200000000, 0.0007257400000000 ] - [ 0.0005890700000000, -0.0005442800000000, 0.0007269500000000 ] - [ 0.0001454800000000, 0.0000027500000000, 0.0000000900000000 ] - [ 0.0006703300000000, -0.0005504200000000, -0.0007257400000000 ] - [ 0.0071990700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001338400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0071278400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001210300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001608600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000398300000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0209039800000000, 0.0000000000000000 ] - [ 0.0000886900000000, 0.0000399200000000, -0.0000263900000000 ] - [ -0.0000886900000000, 0.0000399200000000, 0.0000263900000000 ] - [ 0.0000000000000000, 0.0000690800000000, 0.0000000000000000 ] - [ 0.0000881300000000, -0.0001301800000000, 0.0000415800000000 ] - [ -0.0000881300000000, -0.0001301800000000, -0.0000415800000000 ] - [ 0.0001276900000000, -0.0007422500000000, 0.0000073600000000 ] - [ 0.0000422600000000, -0.0000221300000000, -0.0000145000000000 ] - [ -0.0001343600000000, -0.0000218400000000, 0.0000141400000000 ] - [ -0.0001276900000000, -0.0007422500000000, -0.0000073600000000 ] - [ 0.0001343600000000, -0.0000218400000000, -0.0000141400000000 ] - [ -0.0000422600000000, -0.0000221300000000, 0.0000145000000000 ] - [ -0.0000765600000000, -0.0000038500000000, -0.0000064900000000 ] - [ -0.0000061800000000, -0.0000013700000000, -0.0000000100000000 ] - [ 0.0000997900000000, -0.0000039900000000, 0.0000063200000000 ] - [ -0.0000997900000000, -0.0000039900000000, -0.0000063200000000 ] - [ 0.0000061800000000, -0.0000013700000000, 0.0000000100000000 ] - [ 0.0000765600000000, -0.0000038500000000, 0.0000064900000000 ] - [ -0.0000880900000000, -0.0000040600000000, 0.0000133700000000 ] - [ 0.0000000000000000, -0.0000047800000000, 0.0000000000000000 ] - [ 0.0000880900000000, -0.0000040600000000, -0.0000133700000000 ] - [ -0.0000882800000000, -0.0000057200000000, -0.0000010700000000 ] - [ 0.0000000000000000, 0.0000015100000000, 0.0000000000000000 ] - [ 0.0000882800000000, -0.0000057200000000, 0.0000010700000000 ] - [ 0.0064102000000000, 0.0017182300000000, -0.0017809500000000 ] - [ 0.0045835200000000, -0.0003074300000000, 0.0000067300000000 ] - [ 0.0045402000000000, -0.0002366600000000, 0.0000739400000000 ] - [ 0.0045504300000000, -0.0002259300000000, 0.0001412200000000 ] - [ 0.0046501300000000, -0.0003138100000000, -0.0000129200000000 ] - [ 0.0046543200000000, -0.0003373800000000, -0.0000727100000000 ] - [ 0.0046423200000000, 0.0003124500000000, -0.0000016000000000 ] - [ 0.0046066600000000, 0.0003149000000000, 0.0000070000000000 ] - [ 0.0045561700000000, 0.0004532400000000, -0.0000420000000000 ] - [ 0.0046051100000000, 0.0003677600000000, 0.0000011700000000 ] - [ 0.0046112700000000, 0.0003199000000000, -0.0000082700000000 ] - [ 0.0046097600000000, 0.0003106800000000, 0.0000317000000000 ] - [ -0.0046543200000000, -0.0003373800000000, 0.0000727100000000 ] - [ -0.0046501300000000, -0.0003138100000000, 0.0000129200000000 ] - [ -0.0045504300000000, -0.0002259300000000, -0.0001412200000000 ] - [ -0.0045402000000000, -0.0002366600000000, -0.0000739400000000 ] - [ -0.0045835200000000, -0.0003074300000000, -0.0000067300000000 ] - [ -0.0064102000000000, 0.0017182300000000, 0.0017809500000000 ] - [ -0.0046097600000000, 0.0003106800000000, -0.0000317000000000 ] - [ -0.0046112700000000, 0.0003199000000000, 0.0000082700000000 ] - [ -0.0046051100000000, 0.0003677600000000, -0.0000011700000000 ] - [ -0.0045561700000000, 0.0004532400000000, 0.0000420000000000 ] - [ -0.0046066600000000, 0.0003149000000000, -0.0000070000000000 ] - [ -0.0046423200000000, 0.0003124500000000, 0.0000016000000000 ] - [ 0.0046167800000000, -0.0002734300000000, 0.0000013900000000 ] - [ 0.0046119000000000, -0.0003112500000000, -0.0000082800000000 ] - [ 0.0046146900000000, -0.0003323800000000, 0.0000313400000000 ] - [ 0.0045800100000000, -0.0003294800000000, -0.0000017600000000 ] - [ 0.0046165800000000, -0.0003162800000000, 0.0000070100000000 ] - [ 0.0046667300000000, -0.0001892600000000, -0.0000409000000000 ] - [ 0.0046734100000000, 0.0004051800000000, 0.0001426900000000 ] - [ 0.0045741200000000, 0.0003290400000000, -0.0000130000000000 ] - [ 0.0045673600000000, 0.0003042000000000, -0.0000732300000000 ] - [ 0.0028353700000000, 0.0023336900000000, -0.0017585700000000 ] - [ 0.0046412400000000, 0.0003353600000000, 0.0000067800000000 ] - [ 0.0046824000000000, 0.0004043800000000, 0.0000748000000000 ] - [ -0.0046667300000000, -0.0001892600000000, 0.0000409000000000 ] - [ -0.0046165800000000, -0.0003162800000000, -0.0000070100000000 ] - [ -0.0045800100000000, -0.0003294800000000, 0.0000017600000000 ] - [ -0.0046146900000000, -0.0003323800000000, -0.0000313400000000 ] - [ -0.0046119000000000, -0.0003112500000000, 0.0000082800000000 ] - [ -0.0046167800000000, -0.0002734300000000, -0.0000013900000000 ] - [ -0.0046824000000000, 0.0004043800000000, -0.0000748000000000 ] - [ -0.0046412400000000, 0.0003353600000000, -0.0000067800000000 ] - [ -0.0028353700000000, 0.0023336900000000, 0.0017585700000000 ] - [ -0.0045673600000000, 0.0003042000000000, 0.0000732300000000 ] - [ -0.0045741200000000, 0.0003290400000000, 0.0000130000000000 ] - [ -0.0046734100000000, 0.0004051800000000, -0.0001426900000000 ] - [ 0.0003218500000000, -0.0146827200000000, -0.0000196700000000 ] - [ 0.0002481400000000, -0.0147071000000000, 0.0000019900000000 ] - [ 0.0002569500000000, -0.0147213200000000, 0.0000084000000000 ] - [ 0.0003208300000000, -0.0147044100000000, 0.0000189000000000 ] - [ 0.0002309800000000, -0.0146742500000000, -0.0000028100000000 ] - [ 0.0002151100000000, -0.0148968500000000, -0.0000184100000000 ] - [ -0.0002308600000000, 0.0151301100000000, 0.0002656100000000 ] - [ -0.0002535000000000, 0.0147102800000000, -0.0000352700000000 ] - [ -0.0026866900000000, 0.0192640000000000, -0.0024608500000000 ] - [ -0.0006269800000000, 0.0147413300000000, -0.0005396800000000 ] - [ -0.0002478700000000, 0.0147671600000000, 0.0000427100000000 ] - [ -0.0001362000000000, 0.0149981100000000, 0.0001443900000000 ] - [ 0.0001362000000000, 0.0149981100000000, -0.0001443900000000 ] - [ 0.0002478700000000, 0.0147671600000000, -0.0000427100000000 ] - [ 0.0006269800000000, 0.0147413300000000, 0.0005396800000000 ] - [ 0.0026866900000000, 0.0192640000000000, 0.0024608500000000 ] - [ 0.0002535000000000, 0.0147102800000000, 0.0000352700000000 ] - [ 0.0002308600000000, 0.0151301100000000, -0.0002656100000000 ] - [ -0.0002151100000000, -0.0148968500000000, 0.0000184100000000 ] - [ -0.0002309800000000, -0.0146742500000000, 0.0000028100000000 ] - [ -0.0003208300000000, -0.0147044100000000, -0.0000189000000000 ] - [ -0.0002569500000000, -0.0147213200000000, -0.0000084000000000 ] - [ -0.0002481400000000, -0.0147071000000000, -0.0000019900000000 ] - [ -0.0003218500000000, -0.0146827200000000, 0.0000196700000000 ] - [ -0.0021285100000000, -0.0101523900000000, 0.0023976700000000 ] - [ 0.0002676500000000, -0.0147152900000000, 0.0000354900000000 ] - [ 0.0004142100000000, -0.0142355000000000, -0.0002661100000000 ] - [ 0.0003493400000000, -0.0143891100000000, -0.0001461900000000 ] - [ 0.0002737400000000, -0.0146587700000000, -0.0000429700000000 ] - [ 0.0000140300000000, -0.0146244700000000, 0.0005416900000000 ] - [ -0.0002645500000000, 0.0147039500000000, -0.0000083100000000 ] - [ -0.0002386500000000, 0.0146792300000000, -0.0000020600000000 ] - [ -0.0003198300000000, 0.0146839800000000, 0.0000198200000000 ] - [ -0.0003059200000000, 0.0145308200000000, 0.0000179200000000 ] - [ -0.0002546900000000, 0.0147136900000000, 0.0000028200000000 ] - [ -0.0003214000000000, 0.0146607700000000, -0.0000189900000000 ] - [ 0.0003214000000000, 0.0146607700000000, 0.0000189900000000 ] - [ 0.0002546900000000, 0.0147136900000000, -0.0000028200000000 ] - [ 0.0003059200000000, 0.0145308200000000, -0.0000179200000000 ] - [ 0.0003198300000000, 0.0146839800000000, -0.0000198200000000 ] - [ 0.0002386500000000, 0.0146792300000000, 0.0000020600000000 ] - [ 0.0002645500000000, 0.0147039500000000, 0.0000083100000000 ] - [ -0.0000140300000000, -0.0146244700000000, -0.0005416900000000 ] - [ -0.0002737400000000, -0.0146587700000000, 0.0000429700000000 ] - [ -0.0003493400000000, -0.0143891100000000, 0.0001461900000000 ] - [ -0.0004142100000000, -0.0142355000000000, 0.0002661100000000 ] - [ -0.0002676500000000, -0.0147152900000000, -0.0000354900000000 ] - [ 0.0021285100000000, -0.0101523900000000, -0.0023976700000000 ] - [ 0.0000000000000000, 0.0000641900000000, 0.0000000000000000 ] - [ 0.0000420700000000, -0.0000119300000000, -0.0000268700000000 ] - [ -0.0000420700000000, -0.0000119300000000, 0.0000268700000000 ] - [ 0.0000000000000000, -0.0000236400000000, 0.0000000000000000 ] - [ 0.0000423200000000, 0.0000013000000000, 0.0000150800000000 ] - [ -0.0000423200000000, 0.0000013000000000, -0.0000150800000000 ] - [ -0.0000992800000000, 0.0000146300000000, -0.0000007300000000 ] - [ 0.0000563400000000, -0.0000054100000000, 0.0000058300000000 ] - [ -0.0000280300000000, -0.0000054600000000, -0.0000055300000000 ] - [ 0.0000992800000000, 0.0000146300000000, 0.0000007300000000 ] - [ 0.0000280300000000, -0.0000054600000000, 0.0000055300000000 ] - [ -0.0000563400000000, -0.0000054100000000, -0.0000058300000000 ] - [ -0.0004679500000000, -0.0010145400000000, 0.0006338000000000 ] - [ 0.0000128200000000, -0.0000337300000000, -0.0000001700000000 ] - [ -0.0003847500000000, -0.0010101600000000, -0.0006338500000000 ] - [ 0.0003847500000000, -0.0010101600000000, 0.0006338500000000 ] - [ -0.0000128200000000, -0.0000337300000000, 0.0000001700000000 ] - [ 0.0004679500000000, -0.0010145400000000, -0.0006338000000000 ] - [ -0.0000568000000000, -0.0015437800000000, -0.0012175400000000 ] - [ 0.0000000000000000, -0.0000247000000000, 0.0000000000000000 ] - [ 0.0000568000000000, -0.0015437800000000, 0.0012175400000000 ] - [ -0.0000408000000000, -0.0002330300000000, 0.0003099200000000 ] - [ 0.0000000000000000, -0.0000164700000000, 0.0000000000000000 ] - [ 0.0000408000000000, -0.0002330300000000, -0.0003099200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0238173100000000 ] - [ 0.0000886600000000, 0.0000262500000000, -0.0000528100000000 ] - [ -0.0000886600000000, -0.0000262500000000, -0.0000528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001162600000000 ] - [ 0.0000881000000000, -0.0000415900000000, 0.0000079600000000 ] - [ -0.0000881000000000, 0.0000415900000000, 0.0000079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045650300000000 ] - [ 0.0000673000000000, -0.0000145100000000, 0.0000219500000000 ] - [ -0.0000673000000000, 0.0000145100000000, 0.0000219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046521100000000 ] - [ 0.0001092800000000, -0.0000141600000000, 0.0000222700000000 ] - [ -0.0001092800000000, 0.0000141600000000, 0.0000222700000000 ] - [ -0.0000915700000000, 0.0000064500000000, 0.0000171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000044100000000 ] - [ 0.0000915700000000, -0.0000064500000000, 0.0000171900000000 ] - [ -0.0000849700000000, 0.0000063700000000, 0.0000172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000044000000000 ] - [ 0.0000849700000000, -0.0000063700000000, 0.0000172700000000 ] - [ -0.0000882200000000, 0.0000133600000000, -0.0000467700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000184600000000 ] - [ 0.0000882200000000, -0.0000133600000000, -0.0000467700000000 ] - [ -0.0000883300000000, -0.0000010500000000, 0.0000099900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000067700000000 ] - [ 0.0000883300000000, 0.0000010500000000, 0.0000099900000000 ] - [ 0.0034527400000000, -0.0021072800000000, 0.0002932300000000 ] - [ 0.0045919300000000, -0.0003141100000000, 0.0000040300000000 ] - [ 0.0046919500000000, -0.0003033000000000, -0.0000228200000000 ] - [ 0.0046253600000000, -0.0002497000000000, 0.0002220900000000 ] - [ 0.0046264200000000, -0.0003240700000000, -0.0000024300000000 ] - [ 0.0045704800000000, -0.0003159400000000, 0.0000321600000000 ] - [ 0.0046199400000000, 0.0003254500000000, -0.0000354800000000 ] - [ 0.0046196100000000, 0.0003126900000000, -0.0000106300000000 ] - [ 0.0045620600000000, 0.0001694300000000, -0.0000149500000000 ] - [ 0.0046273300000000, 0.0003515000000000, 0.0000353800000000 ] - [ 0.0046125400000000, 0.0003126100000000, 0.0000086500000000 ] - [ 0.0046131300000000, 0.0003615100000000, 0.0000195200000000 ] - [ -0.0046514900000000, -0.0003252900000000, 0.0000317500000000 ] - [ -0.0045978600000000, -0.0003184200000000, -0.0000025300000000 ] - [ -0.0045986500000000, -0.0003807100000000, 0.0002230700000000 ] - [ -0.0045308200000000, -0.0003377200000000, -0.0000216800000000 ] - [ -0.0046327500000000, -0.0003282500000000, 0.0000040000000000 ] - [ -0.0057758000000000, 0.0014871000000000, 0.0002874200000000 ] - [ -0.0046114200000000, 0.0002811200000000, 0.0000194000000000 ] - [ -0.0046107300000000, 0.0003182000000000, 0.0000086400000000 ] - [ -0.0045947200000000, 0.0002893400000000, 0.0000355300000000 ] - [ -0.0046620400000000, 0.0004723400000000, -0.0000144300000000 ] - [ -0.0046037100000000, 0.0003181100000000, -0.0000106300000000 ] - [ -0.0046023900000000, 0.0003160000000000, -0.0000355700000000 ] - [ 0.0045947200000000, -0.0002893400000000, 0.0000355300000000 ] - [ 0.0046107300000000, -0.0003182000000000, 0.0000086400000000 ] - [ 0.0046114200000000, -0.0002811200000000, 0.0000194000000000 ] - [ 0.0046023900000000, -0.0003160000000000, -0.0000355700000000 ] - [ 0.0046037100000000, -0.0003181100000000, -0.0000106300000000 ] - [ 0.0046620400000000, -0.0004723400000000, -0.0000144300000000 ] - [ 0.0045986500000000, 0.0003807100000000, 0.0002230700000000 ] - [ 0.0045978600000000, 0.0003184200000000, -0.0000025300000000 ] - [ 0.0046514900000000, 0.0003252900000000, 0.0000317500000000 ] - [ 0.0057758000000000, -0.0014871000000000, 0.0002874200000000 ] - [ 0.0046327500000000, 0.0003282500000000, 0.0000040000000000 ] - [ 0.0045308200000000, 0.0003377200000000, -0.0000216800000000 ] - [ -0.0045620600000000, -0.0001694300000000, -0.0000149500000000 ] - [ -0.0046196100000000, -0.0003126900000000, -0.0000106300000000 ] - [ -0.0046199400000000, -0.0003254500000000, -0.0000354800000000 ] - [ -0.0046131300000000, -0.0003615100000000, 0.0000195200000000 ] - [ -0.0046125400000000, -0.0003126100000000, 0.0000086500000000 ] - [ -0.0046273300000000, -0.0003515000000000, 0.0000353800000000 ] - [ -0.0046919500000000, 0.0003033000000000, -0.0000228200000000 ] - [ -0.0045919300000000, 0.0003141100000000, 0.0000040300000000 ] - [ -0.0034527400000000, 0.0021072800000000, 0.0002932300000000 ] - [ -0.0045704800000000, 0.0003159400000000, 0.0000321600000000 ] - [ -0.0046264200000000, 0.0003240700000000, -0.0000024300000000 ] - [ -0.0046253600000000, 0.0002497000000000, 0.0002220900000000 ] - [ 0.0003329000000000, -0.0146832800000000, -0.0000356300000000 ] - [ 0.0002367800000000, -0.0146888900000000, -0.0000232200000000 ] - [ 0.0002822900000000, -0.0146738400000000, -0.0000816000000000 ] - [ 0.0002432600000000, -0.0147855100000000, 0.0000345300000000 ] - [ 0.0002692700000000, -0.0146838800000000, 0.0000216600000000 ] - [ 0.0002805700000000, -0.0148058200000000, 0.0000829300000000 ] - [ -0.0001588400000000, 0.0149880300000000, 0.0003800500000000 ] - [ -0.0002996700000000, 0.0147016200000000, 0.0000147400000000 ] - [ 0.0019259400000000, 0.0120926100000000, 0.0036968300000000 ] - [ -0.0003730300000000, 0.0147226900000000, -0.0002973200000000 ] - [ -0.0002707100000000, 0.0146993100000000, -0.0000139800000000 ] - [ -0.0000989100000000, 0.0146281500000000, -0.0004684400000000 ] - [ 0.0003852500000000, 0.0147597800000000, -0.0004661900000000 ] - [ 0.0002504400000000, 0.0147271100000000, -0.0000136200000000 ] - [ 0.0002673900000000, 0.0146438300000000, -0.0003004000000000 ] - [ 0.0024956200000000, 0.0173599900000000, 0.0037507700000000 ] - [ 0.0002218000000000, 0.0147244400000000, 0.0000144400000000 ] - [ 0.0004852400000000, 0.0143787600000000, 0.0003785300000000 ] - [ -0.0002407800000000, -0.0146207000000000, 0.0000830500000000 ] - [ -0.0002171600000000, -0.0147029700000000, 0.0000216300000000 ] - [ -0.0003993100000000, -0.0145810100000000, 0.0000346500000000 ] - [ -0.0002390400000000, -0.0147519200000000, -0.0000816600000000 ] - [ -0.0002494400000000, -0.0146984900000000, -0.0000231900000000 ] - [ -0.0003086100000000, -0.0146841500000000, -0.0000357600000000 ] - [ -0.0019259400000000, -0.0120926100000000, 0.0036968300000000 ] - [ 0.0002996700000000, -0.0147016200000000, 0.0000147400000000 ] - [ 0.0001588400000000, -0.0149880300000000, 0.0003800500000000 ] - [ 0.0000989100000000, -0.0146281500000000, -0.0004684400000000 ] - [ 0.0002707100000000, -0.0146993100000000, -0.0000139800000000 ] - [ 0.0003730300000000, -0.0147226900000000, -0.0002973200000000 ] - [ -0.0002822900000000, 0.0146738400000000, -0.0000816000000000 ] - [ -0.0002367800000000, 0.0146888900000000, -0.0000232200000000 ] - [ -0.0003329000000000, 0.0146832800000000, -0.0000356300000000 ] - [ -0.0002805700000000, 0.0148058200000000, 0.0000829300000000 ] - [ -0.0002692700000000, 0.0146838800000000, 0.0000216600000000 ] - [ -0.0002432600000000, 0.0147855100000000, 0.0000345300000000 ] - [ 0.0003993100000000, 0.0145810100000000, 0.0000346500000000 ] - [ 0.0002171600000000, 0.0147029700000000, 0.0000216300000000 ] - [ 0.0002407800000000, 0.0146207000000000, 0.0000830500000000 ] - [ 0.0003086100000000, 0.0146841500000000, -0.0000357600000000 ] - [ 0.0002494400000000, 0.0146984900000000, -0.0000231900000000 ] - [ 0.0002390400000000, 0.0147519200000000, -0.0000816600000000 ] - [ -0.0002673900000000, -0.0146438300000000, -0.0003004000000000 ] - [ -0.0002504400000000, -0.0147271100000000, -0.0000136200000000 ] - [ -0.0003852500000000, -0.0147597800000000, -0.0004661900000000 ] - [ -0.0004852400000000, -0.0143787600000000, 0.0003785300000000 ] - [ -0.0002218000000000, -0.0147244400000000, 0.0000144400000000 ] - [ -0.0024956200000000, -0.0173599900000000, 0.0037507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001680300000000 ] - [ 0.0000419900000000, 0.0000286100000000, -0.0001289600000000 ] - [ -0.0000419900000000, -0.0000286100000000, -0.0001289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000887300000000 ] - [ 0.0000424300000000, -0.0000064500000000, 0.0000353700000000 ] - [ -0.0000424300000000, 0.0000064500000000, 0.0000353700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000365700000000 ] - [ 0.0000240900000000, 0.0000112700000000, 0.0000455800000000 ] - [ -0.0000240900000000, -0.0000112700000000, 0.0000455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000368800000000 ] - [ 0.0000603300000000, 0.0000109300000000, 0.0000453500000000 ] - [ -0.0000603300000000, -0.0000109300000000, 0.0000453500000000 ] - [ -0.0006242000000000, -0.0004691900000000, 0.0007034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000340600000000 ] - [ 0.0006242000000000, 0.0004691900000000, 0.0007034100000000 ] - [ 0.0005416500000000, -0.0004627600000000, 0.0007028400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000347700000000 ] - [ -0.0005416500000000, 0.0004627600000000, 0.0007028400000000 ] - [ -0.0000549000000000, -0.0012183400000000, -0.0022155800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000677300000000 ] - [ 0.0000549000000000, 0.0012183400000000, -0.0022155800000000 ] - [ -0.0000406100000000, 0.0002005500000000, 0.0003368800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053600000000 ] - [ 0.0000406100000000, -0.0002005500000000, 0.0003368800000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001365000000000, 0.0017838100000000, -0.0011595100000000 ] - [ 0.0003608300000000, -0.0000705000000000, 0.0000785900000000 ] - [ 0.0000359900000000, -0.0000288200000000, -0.0000205400000000 ] - [ -0.0001809600000000, -0.0000615100000000, 0.0000132900000000 ] - [ 0.0001501700000000, 0.0000435700000000, -0.0000405100000000 ] - [ 0.0000045500000000, 0.0000381200000000, 0.0000142700000000 ] - [ 0.0001365000000000, 0.0017838100000000, 0.0011595100000000 ] - [ 0.0003608300000000, -0.0000705000000000, -0.0000785900000000 ] - [ 0.0000359900000000, -0.0000288200000000, 0.0000205400000000 ] - [ -0.0001809600000000, -0.0000615100000000, -0.0000132900000000 ] - [ 0.0001501700000000, 0.0000435700000000, 0.0000405100000000 ] - [ 0.0000045500000000, 0.0000381200000000, -0.0000142700000000 ] - [ -0.0001784900000000, 0.0000555200000000, 0.0000502300000000 ] - [ 0.0000625800000000, 0.0000049200000000, -0.0000079300000000 ] - [ 0.0000954400000000, -0.0000309700000000, -0.0000088100000000 ] - [ -0.0001610300000000, 0.0000025200000000, -0.0000009800000000 ] - [ 0.0000540300000000, 0.0000004200000000, -0.0000008100000000 ] - [ 0.0001162900000000, 0.0000058400000000, -0.0000163200000000 ] - [ -0.0001784900000000, 0.0000555200000000, -0.0000502300000000 ] - [ 0.0000625800000000, 0.0000049200000000, 0.0000079300000000 ] - [ 0.0000954400000000, -0.0000309700000000, 0.0000088100000000 ] - [ -0.0001610300000000, 0.0000025200000000, 0.0000009800000000 ] - [ 0.0000540300000000, 0.0000004200000000, 0.0000008100000000 ] - [ 0.0001162900000000, 0.0000058400000000, 0.0000163200000000 ] - [ -0.0098300000000000, 0.0023888700000000, 0.0000000000000000 ] - [ 0.0048107400000000, -0.0003325700000000, 0.0000000000000000 ] - [ 0.0048092100000000, -0.0004092500000000, 0.0000000000000000 ] - [ 0.0046137400000000, -0.0002500500000000, 0.0000000000000000 ] - [ 0.0046316600000000, -0.0003287000000000, 0.0000000000000000 ] - [ 0.0046302200000000, -0.0003584600000000, 0.0000000000000000 ] - [ 0.0064177900000000, 0.0019541200000000, 0.0000000000000000 ] - [ 0.0046722700000000, 0.0003229600000000, 0.0000000000000000 ] - [ 0.0064038300000000, -0.0013474900000000, 0.0000000000000000 ] - [ 0.0045913700000000, 0.0003177300000000, 0.0000000000000000 ] - [ 0.0046549700000000, 0.0003198300000000, 0.0000000000000000 ] - [ 0.0045926700000000, 0.0003215400000000, 0.0000000000000000 ] - [ -0.0041995800000000, -0.0003373000000000, -0.0005845800000000 ] - [ -0.0045350500000000, -0.0003180300000000, -0.0000055000000000 ] - [ -0.0042806400000000, -0.0002847000000000, 0.0007605100000000 ] - [ -0.0041995800000000, -0.0003373000000000, 0.0005845800000000 ] - [ -0.0045350500000000, -0.0003180300000000, 0.0000055000000000 ] - [ -0.0042806400000000, -0.0002847000000000, -0.0007605100000000 ] - [ -0.0051906000000000, 0.0004538700000000, -0.0000397100000000 ] - [ -0.0045545400000000, 0.0003103000000000, -0.0000136000000000 ] - [ -0.0045837500000000, 0.0002600600000000, 0.0000186900000000 ] - [ -0.0051906000000000, 0.0004538700000000, 0.0000397100000000 ] - [ -0.0045545400000000, 0.0003103000000000, 0.0000136000000000 ] - [ -0.0045837500000000, 0.0002600600000000, -0.0000186900000000 ] - [ 0.0045902800000000, -0.0003692200000000, 0.0000347500000000 ] - [ 0.0046591300000000, -0.0003225100000000, 0.0000080500000000 ] - [ 0.0045916400000000, -0.0002896600000000, -0.0000371100000000 ] - [ 0.0045902800000000, -0.0003692200000000, -0.0000347500000000 ] - [ 0.0046591300000000, -0.0003225100000000, -0.0000080500000000 ] - [ 0.0045916400000000, -0.0002896600000000, 0.0000371100000000 ] - [ 0.0044856700000000, 0.0002341200000000, -0.0000364000000000 ] - [ 0.0046754000000000, 0.0003231100000000, 0.0000031300000000 ] - [ 0.0046738400000000, 0.0003758400000000, 0.0000600000000000 ] - [ 0.0044856700000000, 0.0002341200000000, 0.0000364000000000 ] - [ 0.0046754000000000, 0.0003231100000000, -0.0000031300000000 ] - [ 0.0046738400000000, 0.0003758400000000, -0.0000600000000000 ] - [ -0.0046066900000000, -0.0004483500000000, 0.0000000000000000 ] - [ -0.0045788100000000, -0.0003021300000000, 0.0000000000000000 ] - [ -0.0046356400000000, -0.0002508300000000, 0.0000000000000000 ] - [ -0.0046872800000000, -0.0003740300000000, 0.0000000000000000 ] - [ -0.0045572200000000, -0.0003085500000000, 0.0000000000000000 ] - [ -0.0045876500000000, -0.0002901200000000, 0.0000000000000000 ] - [ -0.0045357900000000, 0.0000738100000000, 0.0000000000000000 ] - [ -0.0045077600000000, 0.0003058300000000, 0.0000000000000000 ] - [ -0.0047656200000000, 0.0005146800000000, 0.0000000000000000 ] - [ -0.0045840300000000, 0.0003224700000000, 0.0000000000000000 ] - [ -0.0045632500000000, 0.0003150600000000, 0.0000000000000000 ] - [ -0.0046969600000000, 0.0003199900000000, 0.0000000000000000 ] - [ 0.0001969300000000, -0.0149139000000000, 0.0001822300000000 ] - [ 0.0001453500000000, -0.0147120200000000, -0.0000157300000000 ] - [ 0.0003772200000000, -0.0144188200000000, -0.0002094500000000 ] - [ 0.0001969300000000, -0.0149139000000000, -0.0001822300000000 ] - [ 0.0001453500000000, -0.0147120200000000, 0.0000157300000000 ] - [ 0.0003772200000000, -0.0144188200000000, 0.0002094500000000 ] - [ 0.0054877200000000, 0.0137512400000000, 0.0000000000000000 ] - [ -0.0004475900000000, 0.0146904200000000, 0.0000000000000000 ] - [ -0.0003715700000000, 0.0139914900000000, 0.0000000000000000 ] - [ -0.0003171500000000, 0.0146313500000000, 0.0000000000000000 ] - [ -0.0004476700000000, 0.0146413800000000, 0.0000000000000000 ] - [ -0.0000278900000000, 0.0148129100000000, 0.0000000000000000 ] - [ 0.0010233800000000, 0.0145292300000000, 0.0000353200000000 ] - [ 0.0000596500000000, 0.0147846200000000, 0.0000951800000000 ] - [ 0.0000626600000000, 0.0147235300000000, -0.0003923500000000 ] - [ 0.0010233800000000, 0.0145292300000000, -0.0000353200000000 ] - [ 0.0000596500000000, 0.0147846200000000, -0.0000951800000000 ] - [ 0.0000626600000000, 0.0147235300000000, 0.0003923500000000 ] - [ 0.0002903200000000, -0.0148190700000000, 0.0000000000000000 ] - [ -0.0004183700000000, -0.0148035600000000, 0.0000000000000000 ] - [ -0.0004654800000000, -0.0145480600000000, 0.0000000000000000 ] - [ -0.0001018100000000, -0.0148086400000000, 0.0000000000000000 ] - [ -0.0003517200000000, -0.0146632200000000, 0.0000000000000000 ] - [ -0.0003769000000000, -0.0146526100000000, 0.0000000000000000 ] - [ 0.0010565000000000, -0.0144666800000000, 0.0000000000000000 ] - [ 0.0000241300000000, -0.0146660200000000, 0.0000000000000000 ] - [ -0.0001606800000000, -0.0152125800000000, 0.0000000000000000 ] - [ 0.0004452200000000, -0.0145389900000000, 0.0000000000000000 ] - [ 0.0001269200000000, -0.0147707200000000, 0.0000000000000000 ] - [ 0.0002365300000000, -0.0147632800000000, 0.0000000000000000 ] - [ -0.0001181600000000, 0.0148186500000000, -0.0000457100000000 ] - [ -0.0003470400000000, 0.0146384100000000, -0.0000134100000000 ] - [ -0.0003916900000000, 0.0146558200000000, -0.0000220200000000 ] - [ -0.0001181600000000, 0.0148186500000000, 0.0000457100000000 ] - [ -0.0003470400000000, 0.0146384100000000, 0.0000134100000000 ] - [ -0.0003916900000000, 0.0146558200000000, 0.0000220200000000 ] - [ 0.0004197400000000, 0.0146995300000000, 0.0000000000000000 ] - [ 0.0001102400000000, 0.0146982400000000, 0.0000000000000000 ] - [ 0.0004217800000000, 0.0146176400000000, 0.0000000000000000 ] - [ 0.0003240400000000, 0.0146812600000000, 0.0000000000000000 ] - [ 0.0001605000000000, 0.0147155700000000, 0.0000000000000000 ] - [ 0.0003451200000000, 0.0147263200000000, 0.0000000000000000 ] - [ -0.0003893400000000, -0.0143441100000000, 0.0005431000000000 ] - [ -0.0004199800000000, -0.0146652300000000, -0.0000308200000000 ] - [ -0.0000228200000000, -0.0149713200000000, -0.0003395000000000 ] - [ -0.0003893400000000, -0.0143441100000000, -0.0005431000000000 ] - [ -0.0004199800000000, -0.0146652300000000, 0.0000308200000000 ] - [ -0.0000228200000000, -0.0149713200000000, 0.0003395000000000 ] - [ 0.0000379200000000, -0.0000808000000000, 0.0001106800000000 ] - [ 0.0000477100000000, 0.0000807300000000, -0.0000444500000000 ] - [ 0.0000203300000000, -0.0000169900000000, -0.0000486600000000 ] - [ -0.0002093800000000, -0.0000045500000000, 0.0000691300000000 ] - [ 0.0001711000000000, 0.0000605900000000, -0.0000756900000000 ] - [ 0.0000141500000000, 0.0000031500000000, 0.0000130600000000 ] - [ 0.0000379200000000, -0.0000808000000000, -0.0001106800000000 ] - [ 0.0000477100000000, 0.0000807300000000, 0.0000444500000000 ] - [ 0.0000203300000000, -0.0000169900000000, 0.0000486600000000 ] - [ -0.0002093800000000, -0.0000045500000000, -0.0000691300000000 ] - [ 0.0001711000000000, 0.0000605900000000, 0.0000756900000000 ] - [ 0.0000141500000000, 0.0000031500000000, -0.0000130600000000 ] - [ 0.0002153300000000, -0.0030292700000000, -0.0023166100000000 ] - [ 0.0001086100000000, 0.0000171200000000, 0.0000039100000000 ] - [ 0.0006085100000000, 0.0006220900000000, 0.0009312700000000 ] - [ 0.0000831200000000, 0.0002846700000000, 0.0000495900000000 ] - [ 0.0001007800000000, -0.0000395400000000, 0.0000237900000000 ] - [ -0.0000288800000000, -0.0000110300000000, -0.0001687300000000 ] - [ 0.0002153300000000, -0.0030292700000000, 0.0023166100000000 ] - [ 0.0001086100000000, 0.0000171200000000, -0.0000039100000000 ] - [ 0.0006085100000000, 0.0006220900000000, -0.0009312700000000 ] - [ 0.0000831200000000, 0.0002846700000000, -0.0000495900000000 ] - [ 0.0001007800000000, -0.0000395400000000, -0.0000237900000000 ] - [ -0.0000288800000000, -0.0000110300000000, 0.0001687300000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001302000000000, -0.0017910500000000, 0.0011634500000000 ] - [ -0.0001826500000000, 0.0000715700000000, -0.0000825400000000 ] - [ -0.0002128800000000, 0.0000286700000000, 0.0000203400000000 ] - [ 0.0001815500000000, 0.0000614600000000, -0.0000134400000000 ] - [ 0.0000265800000000, -0.0000434200000000, 0.0000405400000000 ] - [ -0.0001815900000000, -0.0000380400000000, -0.0000142900000000 ] - [ -0.0001302000000000, -0.0017910500000000, -0.0011634500000000 ] - [ -0.0001826500000000, 0.0000715700000000, 0.0000825400000000 ] - [ -0.0002128800000000, 0.0000286700000000, -0.0000203400000000 ] - [ 0.0001815500000000, 0.0000614600000000, 0.0000134400000000 ] - [ 0.0000265800000000, -0.0000434200000000, -0.0000405400000000 ] - [ -0.0001815900000000, -0.0000380400000000, 0.0000142900000000 ] - [ 0.0000005100000000, -0.0000551400000000, -0.0000497500000000 ] - [ -0.0000624700000000, -0.0000048700000000, 0.0000078700000000 ] - [ 0.0000811900000000, 0.0000315100000000, 0.0000089600000000 ] - [ -0.0000161200000000, -0.0000023800000000, 0.0000008600000000 ] - [ -0.0000539900000000, -0.0000003500000000, 0.0000008100000000 ] - [ 0.0000601800000000, -0.0000058400000000, 0.0000164500000000 ] - [ 0.0000005100000000, -0.0000551400000000, 0.0000497500000000 ] - [ -0.0000624700000000, -0.0000048700000000, -0.0000078700000000 ] - [ 0.0000811900000000, 0.0000315100000000, -0.0000089600000000 ] - [ -0.0000161200000000, -0.0000023800000000, -0.0000008600000000 ] - [ -0.0000539900000000, -0.0000003500000000, -0.0000008100000000 ] - [ 0.0000601800000000, -0.0000058400000000, -0.0000164500000000 ] - [ 0.0188965400000000, -0.0028584300000000, 0.0000000000000000 ] - [ 0.0044130200000000, -0.0003120100000000, 0.0000000000000000 ] - [ 0.0044115800000000, -0.0002325800000000, 0.0000000000000000 ] - [ 0.0046099600000000, -0.0003805300000000, 0.0000000000000000 ] - [ 0.0045928400000000, -0.0003142400000000, 0.0000000000000000 ] - [ 0.0045914200000000, -0.0002829100000000, 0.0000000000000000 ] - [ 0.0028199200000000, -0.0012959000000000, 0.0000000000000000 ] - [ 0.0045508200000000, 0.0003078900000000, 0.0000000000000000 ] - [ 0.0028059300000000, 0.0020096500000000, 0.0000000000000000 ] - [ 0.0046304300000000, 0.0003235100000000, 0.0000000000000000 ] - [ 0.0045681700000000, 0.0003111500000000, 0.0000000000000000 ] - [ 0.0046317400000000, 0.0003213600000000, 0.0000000000000000 ] - [ -0.0050184800000000, -0.0003054100000000, 0.0005796000000000 ] - [ -0.0046895600000000, -0.0003247200000000, 0.0000054500000000 ] - [ -0.0049458900000000, -0.0003464400000000, -0.0007673000000000 ] - [ -0.0050184800000000, -0.0003054100000000, -0.0005796000000000 ] - [ -0.0046895600000000, -0.0003247200000000, -0.0000054500000000 ] - [ -0.0049458900000000, -0.0003464400000000, 0.0007673000000000 ] - [ -0.0040345300000000, 0.0001850100000000, 0.0000463100000000 ] - [ -0.0046683700000000, 0.0003205200000000, 0.0000135900000000 ] - [ -0.0046384500000000, 0.0003816000000000, -0.0000188400000000 ] - [ -0.0040345300000000, 0.0001850100000000, -0.0000463100000000 ] - [ -0.0046683700000000, 0.0003205200000000, -0.0000135900000000 ] - [ -0.0046384500000000, 0.0003816000000000, 0.0000188400000000 ] - [ 0.0046315100000000, -0.0002721300000000, -0.0000345600000000 ] - [ 0.0045640500000000, -0.0003082300000000, -0.0000080200000000 ] - [ 0.0046328800000000, -0.0003534700000000, 0.0000376100000000 ] - [ 0.0046315100000000, -0.0002721300000000, 0.0000345600000000 ] - [ 0.0045640500000000, -0.0003082300000000, 0.0000080200000000 ] - [ 0.0046328800000000, -0.0003534700000000, -0.0000376100000000 ] - [ 0.0047376800000000, 0.0003968500000000, 0.0000360800000000 ] - [ 0.0045492700000000, 0.0003199700000000, -0.0000027100000000 ] - [ 0.0045476900000000, 0.0002654900000000, -0.0000595300000000 ] - [ 0.0047376800000000, 0.0003968500000000, -0.0000360800000000 ] - [ 0.0045492700000000, 0.0003199700000000, 0.0000027100000000 ] - [ 0.0045476900000000, 0.0002654900000000, 0.0000595300000000 ] - [ -0.0046181000000000, -0.0001959400000000, 0.0000000000000000 ] - [ -0.0046441400000000, -0.0003283900000000, 0.0000000000000000 ] - [ -0.0045861400000000, -0.0003902800000000, 0.0000000000000000 ] - [ -0.0045373100000000, -0.0002686500000000, 0.0000000000000000 ] - [ -0.0046657600000000, -0.0003223600000000, 0.0000000000000000 ] - [ -0.0046344600000000, -0.0003515400000000, 0.0000000000000000 ] - [ -0.0046853500000000, 0.0005680400000000, 0.0000000000000000 ] - [ -0.0047164900000000, 0.0003369500000000, 0.0000000000000000 ] - [ -0.0044578100000000, 0.0001148700000000, 0.0000000000000000 ] - [ -0.0046382000000000, 0.0003193000000000, 0.0000000000000000 ] - [ -0.0046612700000000, 0.0003279700000000, 0.0000000000000000 ] - [ -0.0045259200000000, 0.0003108300000000, 0.0000000000000000 ] - [ 0.0004438200000000, -0.0144541800000000, -0.0001806300000000 ] - [ 0.0003408600000000, -0.0146738200000000, 0.0000161000000000 ] - [ 0.0001420200000000, -0.0150089400000000, 0.0002102800000000 ] - [ 0.0004438200000000, -0.0144541800000000, 0.0001806300000000 ] - [ 0.0003408600000000, -0.0146738200000000, -0.0000161000000000 ] - [ 0.0001420200000000, -0.0150089400000000, -0.0002102800000000 ] - [ -0.0059028500000000, 0.0155261800000000, 0.0000000000000000 ] - [ -0.0000727400000000, 0.0147360500000000, 0.0000000000000000 ] - [ -0.0001861300000000, 0.0153612800000000, 0.0000000000000000 ] - [ -0.0003237600000000, 0.0147339500000000, 0.0000000000000000 ] - [ -0.0000738400000000, 0.0147840600000000, 0.0000000000000000 ] - [ -0.0004575800000000, 0.0145729800000000, 0.0000000000000000 ] - [ -0.0005349700000000, 0.0148590000000000, -0.0000255300000000 ] - [ 0.0004620200000000, 0.0146404400000000, -0.0000963900000000 ] - [ 0.0005804000000000, 0.0146411400000000, 0.0003924000000000 ] - [ -0.0005349700000000, 0.0148590000000000, 0.0000255300000000 ] - [ 0.0004620200000000, 0.0146404400000000, 0.0000963900000000 ] - [ 0.0005804000000000, 0.0146411400000000, -0.0003924000000000 ] - [ -0.0008148300000000, -0.0146178800000000, 0.0000000000000000 ] - [ -0.0000695000000000, -0.0145830900000000, 0.0000000000000000 ] - [ -0.0001737100000000, -0.0148213200000000, 0.0000000000000000 ] - [ -0.0004212700000000, -0.0146146300000000, 0.0000000000000000 ] - [ -0.0001344900000000, -0.0147230800000000, 0.0000000000000000 ] - [ -0.0002645500000000, -0.0147140700000000, 0.0000000000000000 ] - [ -0.0005691300000000, -0.0149206000000000, 0.0000000000000000 ] - [ 0.0005012500000000, -0.0147617700000000, 0.0000000000000000 ] - [ 0.0008025200000000, -0.0141553300000000, 0.0000000000000000 ] - [ 0.0000418300000000, -0.0148475100000000, 0.0000000000000000 ] - [ 0.0003942800000000, -0.0146544300000000, 0.0000000000000000 ] - [ 0.0004076100000000, -0.0146012600000000, 0.0000000000000000 ] - [ -0.0004039200000000, 0.0146071500000000, 0.0000437400000000 ] - [ -0.0001399600000000, 0.0147471200000000, 0.0000131000000000 ] - [ -0.0002505400000000, 0.0147092900000000, 0.0000220800000000 ] - [ -0.0004039200000000, 0.0146071500000000, -0.0000437400000000 ] - [ -0.0001399600000000, 0.0147471200000000, -0.0000131000000000 ] - [ -0.0002505400000000, 0.0147092900000000, -0.0000220800000000 ] - [ 0.0002229800000000, 0.0146656500000000, 0.0000000000000000 ] - [ 0.0003766800000000, 0.0146868100000000, 0.0000000000000000 ] - [ 0.0000961600000000, 0.0148101400000000, 0.0000000000000000 ] - [ 0.0003184600000000, 0.0146836700000000, 0.0000000000000000 ] - [ 0.0003260300000000, 0.0146702700000000, 0.0000000000000000 ] - [ 0.0001767100000000, 0.0146963200000000, 0.0000000000000000 ] - [ -0.0002528200000000, -0.0150194400000000, -0.0005415400000000 ] - [ -0.0001011100000000, -0.0147596600000000, 0.0000304800000000 ] - [ -0.0004629700000000, -0.0144122700000000, 0.0003417400000000 ] - [ -0.0002528200000000, -0.0150194400000000, 0.0005415400000000 ] - [ -0.0001011100000000, -0.0147596600000000, -0.0000304800000000 ] - [ -0.0004629700000000, -0.0144122700000000, -0.0003417400000000 ] - [ -0.0000333300000000, 0.0000802100000000, -0.0001147800000000 ] - [ 0.0000364200000000, -0.0000794400000000, 0.0000439000000000 ] - [ -0.0001049400000000, 0.0000176400000000, 0.0000486700000000 ] - [ 0.0002110100000000, 0.0000054300000000, -0.0000688400000000 ] - [ -0.0000856900000000, -0.0000596800000000, 0.0000750800000000 ] - [ -0.0000988000000000, -0.0000027800000000, -0.0000126400000000 ] - [ -0.0000333300000000, 0.0000802100000000, 0.0001147800000000 ] - [ 0.0000364200000000, -0.0000794400000000, -0.0000439000000000 ] - [ -0.0001049400000000, 0.0000176400000000, -0.0000486700000000 ] - [ 0.0002110100000000, 0.0000054300000000, 0.0000688400000000 ] - [ -0.0000856900000000, -0.0000596800000000, -0.0000750800000000 ] - [ -0.0000988000000000, -0.0000027800000000, 0.0000126400000000 ] - [ -0.0003030900000000, 0.0030082000000000, 0.0023006400000000 ] - [ -0.0001093700000000, -0.0000177000000000, -0.0000024300000000 ] - [ -0.0005316100000000, -0.0006209000000000, -0.0009283300000000 ] - [ -0.0001686500000000, -0.0002847900000000, -0.0000495900000000 ] - [ -0.0001010200000000, 0.0000399600000000, -0.0000240700000000 ] - [ 0.0001125900000000, 0.0000117900000000, 0.0001688400000000 ] - [ -0.0003030900000000, 0.0030082000000000, -0.0023006400000000 ] - [ -0.0001093700000000, -0.0000177000000000, 0.0000024300000000 ] - [ -0.0005316100000000, -0.0006209000000000, 0.0009283300000000 ] - [ -0.0001686500000000, -0.0002847900000000, 0.0000495900000000 ] - [ -0.0001010200000000, 0.0000399600000000, 0.0000240700000000 ] - [ 0.0001125900000000, 0.0000117900000000, -0.0001688400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017578700000000, 0.0020200300000000, -0.0017869600000000 ] - [ -0.0000409400000000, 0.0000847600000000, 0.0000168200000000 ] - [ -0.0000910200000000, 0.0000146100000000, 0.0000070000000000 ] - [ 0.0000896300000000, 0.0000902900000000, 0.0000654000000000 ] - [ 0.0000091700000000, -0.0000158100000000, 0.0000046100000000 ] - [ -0.0000834400000000, 0.0000083000000000, -0.0000028000000000 ] - [ 0.0017578700000000, 0.0020200300000000, 0.0017869600000000 ] - [ -0.0000409400000000, 0.0000847600000000, -0.0000168200000000 ] - [ -0.0000910200000000, 0.0000146100000000, -0.0000070000000000 ] - [ 0.0000896300000000, 0.0000902900000000, -0.0000654000000000 ] - [ 0.0000091700000000, -0.0000158100000000, -0.0000046100000000 ] - [ -0.0000834400000000, 0.0000083000000000, 0.0000028000000000 ] - [ 0.0001566900000000, 0.0001340400000000, -0.0001515100000000 ] - [ -0.0000067000000000, 0.0000002400000000, -0.0000027500000000 ] - [ -0.0000340400000000, -0.0000071700000000, 0.0000050500000000 ] - [ -0.0000136600000000, -0.0000098100000000, 0.0000404000000000 ] - [ -0.0000003400000000, 0.0000053700000000, -0.0000028200000000 ] - [ -0.0000116500000000, 0.0000481600000000, 0.0000313500000000 ] - [ 0.0001566900000000, 0.0001340400000000, 0.0001515100000000 ] - [ -0.0000067000000000, 0.0000002400000000, 0.0000027500000000 ] - [ -0.0000340400000000, -0.0000071700000000, -0.0000050500000000 ] - [ -0.0000136600000000, -0.0000098100000000, -0.0000404000000000 ] - [ -0.0000003400000000, 0.0000053700000000, 0.0000028200000000 ] - [ -0.0000116500000000, 0.0000481600000000, -0.0000313500000000 ] - [ 0.0072143700000000, -0.0191215800000000, 0.0000000000000000 ] - [ 0.0045234100000000, -0.0003706700000000, 0.0000000000000000 ] - [ 0.0046007500000000, -0.0003700000000000, 0.0000000000000000 ] - [ 0.0046767000000000, -0.0004842200000000, 0.0000000000000000 ] - [ 0.0045739400000000, -0.0003905500000000, 0.0000000000000000 ] - [ 0.0046034100000000, -0.0003898700000000, 0.0000000000000000 ] - [ 0.0062948200000000, 0.0007974700000000, 0.0000000000000000 ] - [ 0.0046038700000000, 0.0002599300000000, 0.0000000000000000 ] - [ 0.0029818800000000, 0.0007985300000000, 0.0000000000000000 ] - [ 0.0046107900000000, 0.0001880500000000, 0.0000000000000000 ] - [ 0.0046070400000000, 0.0002600600000000, 0.0000000000000000 ] - [ 0.0046148500000000, 0.0001887900000000, 0.0000000000000000 ] - [ -0.0045954800000000, -0.0005420200000000, -0.0000188100000000 ] - [ -0.0046152900000000, -0.0003745700000000, -0.0000038700000000 ] - [ -0.0046418100000000, -0.0006347200000000, -0.0000770400000000 ] - [ -0.0045954800000000, -0.0005420200000000, 0.0000188100000000 ] - [ -0.0046152900000000, -0.0003745700000000, 0.0000038700000000 ] - [ -0.0046418100000000, -0.0006347200000000, 0.0000770400000000 ] - [ -0.0044770700000000, 0.0007565400000000, -0.0016101700000000 ] - [ -0.0046164700000000, 0.0002481200000000, 0.0000138200000000 ] - [ -0.0046718200000000, 0.0002404000000000, 0.0000168700000000 ] - [ -0.0044770700000000, 0.0007565400000000, 0.0016101700000000 ] - [ -0.0046164700000000, 0.0002481200000000, -0.0000138200000000 ] - [ -0.0046718200000000, 0.0002404000000000, -0.0000168700000000 ] - [ 0.0046428100000000, -0.0001738200000000, 0.0000157800000000 ] - [ 0.0046041300000000, -0.0002685000000000, -0.0000013600000000 ] - [ 0.0045633600000000, -0.0001745000000000, -0.0000352800000000 ] - [ 0.0046428100000000, -0.0001738200000000, -0.0000157800000000 ] - [ 0.0046041300000000, -0.0002685000000000, 0.0000013600000000 ] - [ 0.0045633600000000, -0.0001745000000000, 0.0000352800000000 ] - [ 0.0046929700000000, 0.0005467700000000, 0.0002375800000000 ] - [ 0.0045568000000000, 0.0003815300000000, -0.0000150900000000 ] - [ 0.0046092400000000, 0.0003809700000000, -0.0000199200000000 ] - [ 0.0046929700000000, 0.0005467700000000, -0.0002375800000000 ] - [ 0.0045568000000000, 0.0003815300000000, 0.0000150900000000 ] - [ 0.0046092400000000, 0.0003809700000000, 0.0000199200000000 ] - [ -0.0044857700000000, 0.0001198500000000, 0.0000000000000000 ] - [ -0.0046243400000000, -0.0002683300000000, 0.0000000000000000 ] - [ -0.0046805900000000, -0.0002823500000000, 0.0000000000000000 ] - [ -0.0045592300000000, -0.0002233700000000, 0.0000000000000000 ] - [ -0.0046181400000000, -0.0002515800000000, 0.0000000000000000 ] - [ -0.0046416900000000, -0.0002573800000000, 0.0000000000000000 ] - [ -0.0048572800000000, 0.0004500600000000, 0.0000000000000000 ] - [ -0.0046276600000000, 0.0003728700000000, 0.0000000000000000 ] - [ -0.0044122100000000, 0.0004917600000000, 0.0000000000000000 ] - [ -0.0046094000000000, 0.0004266500000000, 0.0000000000000000 ] - [ -0.0046184800000000, 0.0003744200000000, 0.0000000000000000 ] - [ -0.0046066900000000, 0.0004256200000000, 0.0000000000000000 ] - [ 0.0001104500000000, -0.0147611700000000, 0.0001596000000000 ] - [ 0.0002938100000000, -0.0146459100000000, -0.0000092600000000 ] - [ 0.0005674900000000, -0.0147919400000000, 0.0005167700000000 ] - [ 0.0001104500000000, -0.0147611700000000, -0.0001596000000000 ] - [ 0.0002938100000000, -0.0146459100000000, 0.0000092600000000 ] - [ 0.0005674900000000, -0.0147919400000000, -0.0005167700000000 ] - [ -0.0016504300000000, 0.0159661500000000, 0.0000000000000000 ] - [ -0.0002171700000000, 0.0147290200000000, 0.0000000000000000 ] - [ -0.0004468600000000, 0.0153686200000000, 0.0000000000000000 ] - [ -0.0001409700000000, 0.0147524700000000, 0.0000000000000000 ] - [ -0.0002114000000000, 0.0147460800000000, 0.0000000000000000 ] - [ -0.0003274400000000, 0.0147107900000000, 0.0000000000000000 ] - [ 0.0001847300000000, 0.0153684300000000, 0.0003031500000000 ] - [ 0.0003738300000000, 0.0146994800000000, -0.0000200200000000 ] - [ 0.0002400800000000, 0.0147304500000000, -0.0000687600000000 ] - [ 0.0001847300000000, 0.0153684300000000, -0.0003031500000000 ] - [ 0.0003738300000000, 0.0146994800000000, 0.0000200200000000 ] - [ 0.0002400800000000, 0.0147304500000000, 0.0000687600000000 ] - [ -0.0000898800000000, -0.0097865500000000, 0.0000000000000000 ] - [ -0.0003078800000000, -0.0146500600000000, 0.0000000000000000 ] - [ -0.0002080000000000, -0.0146680500000000, 0.0000000000000000 ] - [ -0.0003873500000000, -0.0145669500000000, 0.0000000000000000 ] - [ -0.0003045800000000, -0.0146404500000000, 0.0000000000000000 ] - [ -0.0002173500000000, -0.0146895800000000, 0.0000000000000000 ] - [ 0.0008367500000000, -0.0164982300000000, 0.0000000000000000 ] - [ 0.0003093400000000, -0.0147448300000000, 0.0000000000000000 ] - [ 0.0003411700000000, -0.0147390200000000, 0.0000000000000000 ] - [ 0.0001126600000000, -0.0148851200000000, 0.0000000000000000 ] - [ 0.0003625500000000, -0.0147272800000000, 0.0000000000000000 ] - [ 0.0002741300000000, -0.0147638200000000, 0.0000000000000000 ] - [ -0.0004480600000000, 0.0142208900000000, 0.0003501100000000 ] - [ -0.0002752200000000, 0.0146046500000000, -0.0000030500000000 ] - [ -0.0002217200000000, 0.0146495500000000, 0.0000165700000000 ] - [ -0.0004480600000000, 0.0142208900000000, -0.0003501100000000 ] - [ -0.0002752200000000, 0.0146046500000000, 0.0000030500000000 ] - [ -0.0002217200000000, 0.0146495500000000, -0.0000165700000000 ] - [ 0.0001580600000000, 0.0144259900000000, 0.0000000000000000 ] - [ 0.0002845700000000, 0.0146550900000000, 0.0000000000000000 ] - [ 0.0006657800000000, 0.0140856300000000, 0.0000000000000000 ] - [ 0.0002848600000000, 0.0145819900000000, 0.0000000000000000 ] - [ 0.0002878900000000, 0.0146340300000000, 0.0000000000000000 ] - [ 0.0003662200000000, 0.0145001900000000, 0.0000000000000000 ] - [ 0.0000078700000000, -0.0150157600000000, -0.0003765600000000 ] - [ -0.0002138500000000, -0.0147740000000000, 0.0000224000000000 ] - [ -0.0003584000000000, -0.0148002600000000, -0.0000813000000000 ] - [ 0.0000078700000000, -0.0150157600000000, 0.0003765600000000 ] - [ -0.0002138500000000, -0.0147740000000000, -0.0000224000000000 ] - [ -0.0003584000000000, -0.0148002600000000, 0.0000813000000000 ] - [ -0.0005896400000000, 0.0008678700000000, 0.0008064600000000 ] - [ 0.0000884600000000, 0.0000108000000000, -0.0000424100000000 ] - [ -0.0000723600000000, 0.0000079200000000, 0.0000055800000000 ] - [ 0.0001464900000000, 0.0000454000000000, -0.0002164800000000 ] - [ 0.0000876500000000, 0.0001002100000000, -0.0000693900000000 ] - [ -0.0000868600000000, 0.0000070300000000, 0.0000038400000000 ] - [ -0.0005896400000000, 0.0008678700000000, -0.0008064600000000 ] - [ 0.0000884600000000, 0.0000108000000000, 0.0000424100000000 ] - [ -0.0000723600000000, 0.0000079200000000, -0.0000055800000000 ] - [ 0.0001464900000000, 0.0000454000000000, 0.0002164800000000 ] - [ 0.0000876500000000, 0.0001002100000000, 0.0000693900000000 ] - [ -0.0000868600000000, 0.0000070300000000, -0.0000038400000000 ] - [ -0.0029945900000000, 0.0028995200000000, 0.0028496300000000 ] - [ -0.0000335200000000, 0.0000284700000000, -0.0000192500000000 ] - [ 0.0001646000000000, 0.0002052300000000, 0.0000021100000000 ] - [ 0.0000784200000000, 0.0002942500000000, -0.0000905300000000 ] - [ -0.0000487800000000, 0.0000221100000000, 0.0000033200000000 ] - [ 0.0000467100000000, -0.0000025900000000, -0.0000149100000000 ] - [ -0.0029945900000000, 0.0028995200000000, -0.0028496300000000 ] - [ -0.0000335200000000, 0.0000284700000000, 0.0000192500000000 ] - [ 0.0001646000000000, 0.0002052300000000, -0.0000021100000000 ] - [ 0.0000784200000000, 0.0002942500000000, 0.0000905300000000 ] - [ -0.0000487800000000, 0.0000221100000000, -0.0000033200000000 ] - [ 0.0000467100000000, -0.0000025900000000, 0.0000149100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017773100000000, -0.0020333400000000, 0.0018076200000000 ] - [ 0.0002180000000000, -0.0000846200000000, -0.0000175300000000 ] - [ -0.0000853700000000, -0.0000146600000000, -0.0000070300000000 ] - [ -0.0000887300000000, -0.0000902700000000, -0.0000656600000000 ] - [ 0.0001668500000000, 0.0000164300000000, -0.0000046700000000 ] - [ -0.0000931000000000, -0.0000080500000000, 0.0000028100000000 ] - [ -0.0017773100000000, -0.0020333400000000, -0.0018076200000000 ] - [ 0.0002180000000000, -0.0000846200000000, 0.0000175300000000 ] - [ -0.0000853700000000, -0.0000146600000000, 0.0000070300000000 ] - [ -0.0000887300000000, -0.0000902700000000, 0.0000656600000000 ] - [ 0.0001668500000000, 0.0000164300000000, 0.0000046700000000 ] - [ -0.0000931000000000, -0.0000080500000000, -0.0000028100000000 ] - [ -0.0003335700000000, -0.0001318300000000, 0.0001515100000000 ] - [ 0.0000067900000000, 0.0000000600000000, 0.0000026900000000 ] - [ 0.0002102100000000, 0.0000080500000000, -0.0000044400000000 ] - [ -0.0001628000000000, 0.0000103300000000, -0.0000402400000000 ] - [ 0.0000004700000000, -0.0000050000000000, 0.0000027900000000 ] - [ 0.0001875300000000, -0.0000475300000000, -0.0000310400000000 ] - [ -0.0003335700000000, -0.0001318300000000, -0.0001515100000000 ] - [ 0.0000067900000000, 0.0000000600000000, -0.0000026900000000 ] - [ 0.0002102100000000, 0.0000080500000000, 0.0000044400000000 ] - [ -0.0001628000000000, 0.0000103300000000, 0.0000402400000000 ] - [ 0.0000004700000000, -0.0000050000000000, -0.0000027900000000 ] - [ 0.0001875300000000, -0.0000475300000000, 0.0000310400000000 ] - [ 0.0019685600000000, 0.0183299600000000, 0.0000000000000000 ] - [ 0.0047002900000000, -0.0002727700000000, 0.0000000000000000 ] - [ 0.0046215200000000, -0.0002722900000000, 0.0000000000000000 ] - [ 0.0045464700000000, -0.0001474700000000, 0.0000000000000000 ] - [ 0.0046497900000000, -0.0002527000000000, 0.0000000000000000 ] - [ 0.0046181800000000, -0.0002519800000000, 0.0000000000000000 ] - [ 0.0029377300000000, -0.0001563700000000, 0.0000000000000000 ] - [ 0.0046188500000000, 0.0003714200000000, 0.0000000000000000 ] - [ 0.0062320200000000, -0.0001553700000000, 0.0000000000000000 ] - [ 0.0046111700000000, 0.0004529300000000, 0.0000000000000000 ] - [ 0.0046159000000000, 0.0003710900000000, 0.0000000000000000 ] - [ 0.0046092000000000, 0.0004536300000000, 0.0000000000000000 ] - [ -0.0046276500000000, -0.0001007900000000, 0.0000193800000000 ] - [ -0.0046089100000000, -0.0002684400000000, 0.0000036400000000 ] - [ -0.0045803400000000, 0.0000024200000000, 0.0000784200000000 ] - [ -0.0046276500000000, -0.0001007900000000, -0.0000193800000000 ] - [ -0.0046089100000000, -0.0002684400000000, -0.0000036400000000 ] - [ -0.0045803400000000, 0.0000024200000000, -0.0000784200000000 ] - [ -0.0047461200000000, -0.0001135100000000, 0.0015995200000000 ] - [ -0.0046063600000000, 0.0003829500000000, -0.0000137500000000 ] - [ -0.0045504700000000, 0.0004009500000000, -0.0000168400000000 ] - [ -0.0047461200000000, -0.0001135100000000, -0.0015995200000000 ] - [ -0.0046063600000000, 0.0003829500000000, 0.0000137500000000 ] - [ -0.0045504700000000, 0.0004009500000000, 0.0000168400000000 ] - [ 0.0045791800000000, -0.0004670200000000, -0.0000159900000000 ] - [ 0.0046186600000000, -0.0003623400000000, 0.0000013200000000 ] - [ 0.0046606900000000, -0.0004676700000000, 0.0000356400000000 ] - [ 0.0045791800000000, -0.0004670200000000, 0.0000159900000000 ] - [ 0.0046186600000000, -0.0003623400000000, -0.0000013200000000 ] - [ 0.0046606900000000, -0.0004676700000000, -0.0000356400000000 ] - [ 0.0045303000000000, 0.0000850600000000, -0.0002389200000000 ] - [ 0.0046672200000000, 0.0002618100000000, 0.0000153600000000 ] - [ 0.0046125400000000, 0.0002612000000000, 0.0000201800000000 ] - [ 0.0045303000000000, 0.0000850600000000, 0.0002389200000000 ] - [ 0.0046672200000000, 0.0002618100000000, -0.0000153600000000 ] - [ 0.0046125400000000, 0.0002612000000000, -0.0000201800000000 ] - [ -0.0047386000000000, -0.0007649000000000, 0.0000000000000000 ] - [ -0.0045983600000000, -0.0003621700000000, 0.0000000000000000 ] - [ -0.0045412000000000, -0.0003586100000000, 0.0000000000000000 ] - [ -0.0046648800000000, -0.0004189200000000, 0.0000000000000000 ] - [ -0.0046046400000000, -0.0003794000000000, 0.0000000000000000 ] - [ -0.0045805200000000, -0.0003838400000000, 0.0000000000000000 ] - [ -0.0043633000000000, 0.0001920000000000, 0.0000000000000000 ] - [ -0.0045965100000000, 0.0002702500000000, 0.0000000000000000 ] - [ -0.0048120000000000, 0.0001398300000000, 0.0000000000000000 ] - [ -0.0046128100000000, 0.0002156100000000, 0.0000000000000000 ] - [ -0.0046057600000000, 0.0002687300000000, 0.0000000000000000 ] - [ -0.0046160100000000, 0.0002060900000000, 0.0000000000000000 ] - [ 0.0005303500000000, -0.0146057500000000, -0.0001582900000000 ] - [ 0.0001925400000000, -0.0147409700000000, 0.0000090900000000 ] - [ -0.0000437500000000, -0.0146348700000000, -0.0005131600000000 ] - [ 0.0005303500000000, -0.0146057500000000, 0.0001582900000000 ] - [ 0.0001925400000000, -0.0147409700000000, -0.0000090900000000 ] - [ -0.0000437500000000, -0.0146348700000000, 0.0005131600000000 ] - [ 0.0010184200000000, 0.0134006400000000, 0.0000000000000000 ] - [ -0.0003050600000000, 0.0146950400000000, 0.0000000000000000 ] - [ -0.0000474900000000, 0.0140105200000000, 0.0000000000000000 ] - [ -0.0004972100000000, 0.0146144000000000, 0.0000000000000000 ] - [ -0.0003104700000000, 0.0146776300000000, 0.0000000000000000 ] - [ -0.0001601200000000, 0.0146736800000000, 0.0000000000000000 ] - [ 0.0003072000000000, 0.0140101100000000, -0.0003088400000000 ] - [ 0.0001480100000000, 0.0147254900000000, 0.0000198200000000 ] - [ 0.0004022500000000, 0.0146352800000000, 0.0000673300000000 ] - [ 0.0003072000000000, 0.0140101100000000, 0.0003088400000000 ] - [ 0.0001480100000000, 0.0147254900000000, -0.0000198200000000 ] - [ 0.0004022500000000, 0.0146352800000000, -0.0000673300000000 ] - [ -0.0004556200000000, -0.0193934800000000, 0.0000000000000000 ] - [ -0.0001789600000000, -0.0147365800000000, 0.0000000000000000 ] - [ -0.0004337400000000, -0.0146965700000000, 0.0000000000000000 ] - [ -0.0001339900000000, -0.0148589100000000, 0.0000000000000000 ] - [ -0.0001822600000000, -0.0147440200000000, 0.0000000000000000 ] - [ -0.0004240600000000, -0.0146761000000000, 0.0000000000000000 ] - [ -0.0003548600000000, -0.0128861500000000, 0.0000000000000000 ] - [ 0.0002129900000000, -0.0146827500000000, 0.0000000000000000 ] - [ 0.0003003900000000, -0.0146280100000000, 0.0000000000000000 ] - [ 0.0003729800000000, -0.0145032400000000, 0.0000000000000000 ] - [ 0.0001589900000000, -0.0146971700000000, 0.0000000000000000 ] - [ 0.0003688800000000, -0.0146008200000000, 0.0000000000000000 ] - [ -0.0000738300000000, 0.0152031100000000, -0.0003513500000000 ] - [ -0.0002112300000000, 0.0147810700000000, 0.0000031700000000 ] - [ -0.0004196400000000, 0.0147162500000000, -0.0000170200000000 ] - [ -0.0000738300000000, 0.0152031100000000, 0.0003513500000000 ] - [ -0.0002112300000000, 0.0147810700000000, -0.0000031700000000 ] - [ -0.0004196400000000, 0.0147162500000000, 0.0000170200000000 ] - [ 0.0004846800000000, 0.0149375900000000, 0.0000000000000000 ] - [ 0.0002012200000000, 0.0147301900000000, 0.0000000000000000 ] - [ -0.0001483100000000, 0.0153400600000000, 0.0000000000000000 ] - [ 0.0003571100000000, 0.0147837900000000, 0.0000000000000000 ] - [ 0.0001983800000000, 0.0147511300000000, 0.0000000000000000 ] - [ 0.0001553700000000, 0.0149228000000000, 0.0000000000000000 ] - [ -0.0006506900000000, -0.0143511400000000, 0.0003786900000000 ] - [ -0.0003082200000000, -0.0146510800000000, -0.0000225100000000 ] - [ -0.0001281200000000, -0.0145863500000000, 0.0000814200000000 ] - [ -0.0006506900000000, -0.0143511400000000, -0.0003786900000000 ] - [ -0.0003082200000000, -0.0146510800000000, 0.0000225100000000 ] - [ -0.0001281200000000, -0.0145863500000000, -0.0000814200000000 ] - [ 0.0005935900000000, -0.0008559300000000, -0.0008115700000000 ] - [ -0.0000041500000000, -0.0000100700000000, 0.0000423000000000 ] - [ -0.0000119000000000, -0.0000077100000000, -0.0000051900000000 ] - [ -0.0001452300000000, -0.0000435200000000, 0.0002152400000000 ] - [ -0.0000029900000000, -0.0000991900000000, 0.0000685800000000 ] - [ 0.0000025700000000, -0.0000067000000000, -0.0000033700000000 ] - [ 0.0005935900000000, -0.0008559300000000, 0.0008115700000000 ] - [ -0.0000041500000000, -0.0000100700000000, -0.0000423000000000 ] - [ -0.0000119000000000, -0.0000077100000000, 0.0000051900000000 ] - [ -0.0001452300000000, -0.0000435200000000, -0.0002152400000000 ] - [ -0.0000029900000000, -0.0000991900000000, -0.0000685800000000 ] - [ 0.0000025700000000, -0.0000067000000000, 0.0000033700000000 ] - [ 0.0029569400000000, -0.0029352300000000, -0.0028978000000000 ] - [ 0.0000336500000000, -0.0000287400000000, 0.0000200900000000 ] - [ -0.0000807700000000, -0.0002026700000000, 0.0000007300000000 ] - [ -0.0001665400000000, -0.0002911300000000, 0.0000912300000000 ] - [ 0.0000487200000000, -0.0000218100000000, -0.0000030600000000 ] - [ 0.0000373300000000, 0.0000031500000000, 0.0000143300000000 ] - [ 0.0029569400000000, -0.0029352300000000, 0.0028978000000000 ] - [ 0.0000336500000000, -0.0000287400000000, -0.0000200900000000 ] - [ -0.0000807700000000, -0.0002026700000000, -0.0000007300000000 ] - [ -0.0001665400000000, -0.0002911300000000, -0.0000912300000000 ] - [ 0.0000487200000000, -0.0000218100000000, 0.0000030600000000 ] - [ 0.0000373300000000, 0.0000031500000000, -0.0000143300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011127800000000, -0.0017736700000000, 0.0002875700000000 ] - [ 0.0001205600000000, 0.0000739800000000, -0.0000214500000000 ] - [ -0.0000810300000000, 0.0000066900000000, 0.0000045400000000 ] - [ 0.0002166000000000, 0.0001414200000000, 0.0002220900000000 ] - [ 0.0000564500000000, -0.0000727300000000, 0.0000323600000000 ] - [ -0.0000969900000000, -0.0000128700000000, -0.0000017600000000 ] - [ 0.0011075100000000, 0.0017656700000000, 0.0002945900000000 ] - [ 0.0000562800000000, -0.0000747200000000, -0.0000216300000000 ] - [ -0.0000954500000000, -0.0000067400000000, 0.0000047400000000 ] - [ -0.0002150200000000, -0.0001425400000000, 0.0002244000000000 ] - [ 0.0001196300000000, 0.0000732900000000, 0.0000330200000000 ] - [ -0.0000796300000000, 0.0000131000000000, -0.0000017100000000 ] - [ -0.0000529800000000, -0.0000413200000000, -0.0000132700000000 ] - [ -0.0000070500000000, 0.0000070300000000, -0.0000098700000000 ] - [ 0.0001033500000000, -0.0000014600000000, -0.0000345500000000 ] - [ -0.0001039000000000, 0.0000318400000000, 0.0000202800000000 ] - [ 0.0000069100000000, -0.0000082500000000, 0.0000094400000000 ] - [ 0.0000650100000000, 0.0000014200000000, 0.0000364300000000 ] - [ -0.0001245100000000, 0.0000415500000000, -0.0000145200000000 ] - [ 0.0000071200000000, -0.0000069500000000, -0.0000100200000000 ] - [ 0.0000733400000000, 0.0000018900000000, -0.0000351200000000 ] - [ -0.0000727000000000, -0.0000313600000000, 0.0000201800000000 ] - [ -0.0000068600000000, 0.0000083300000000, 0.0000094100000000 ] - [ 0.0001114200000000, -0.0000014100000000, 0.0000361400000000 ] - [ 0.0046002300000000, -0.0002499200000000, -0.0107714000000000 ] - [ 0.0046124200000000, -0.0003213800000000, 0.0000386600000000 ] - [ 0.0046111800000000, -0.0003210800000000, 0.0000387100000000 ] - [ 0.0046122100000000, -0.0003167000000000, 0.0005041100000000 ] - [ 0.0046119900000000, -0.0003217000000000, -0.0000220600000000 ] - [ 0.0046109700000000, -0.0003209600000000, -0.0000221500000000 ] - [ 0.0046074500000000, 0.0003192400000000, -0.0004851700000000 ] - [ 0.0046115400000000, 0.0003157500000000, -0.0000008500000000 ] - [ 0.0046158000000000, 0.0003193900000000, -0.0004852600000000 ] - [ 0.0046111600000000, 0.0003208000000000, 0.0000606600000000 ] - [ 0.0046116300000000, 0.0003158500000000, -0.0000005500000000 ] - [ 0.0046121400000000, 0.0003216900000000, 0.0000606700000000 ] - [ -0.0051910600000000, -0.0003022200000000, 0.0002363000000000 ] - [ -0.0046176800000000, -0.0003177500000000, 0.0000032200000000 ] - [ -0.0038514900000000, -0.0002381500000000, 0.0004524500000000 ] - [ -0.0040268600000000, -0.0003404700000000, 0.0002395600000000 ] - [ -0.0046066500000000, -0.0003253700000000, 0.0000031100000000 ] - [ -0.0053793300000000, -0.0003937300000000, 0.0004557200000000 ] - [ -0.0046548500000000, -0.0012745300000000, 0.0016550600000000 ] - [ -0.0046251100000000, 0.0003295900000000, -0.0000009700000000 ] - [ -0.0045922800000000, 0.0003378300000000, 0.0000005800000000 ] - [ -0.0045687700000000, 0.0019349100000000, 0.0016682900000000 ] - [ -0.0045980300000000, 0.0003018500000000, -0.0000011300000000 ] - [ -0.0046298500000000, 0.0003040200000000, 0.0000004900000000 ] - [ 0.0046482200000000, -0.0002855100000000, 0.0000018300000000 ] - [ 0.0046035300000000, -0.0003144700000000, 0.0000002700000000 ] - [ 0.0045778000000000, -0.0003373600000000, 0.0000019800000000 ] - [ 0.0045736000000000, -0.0003563100000000, 0.0000017300000000 ] - [ 0.0046196000000000, -0.0003171400000000, 0.0000001100000000 ] - [ 0.0046469900000000, -0.0003056500000000, 0.0000016600000000 ] - [ 0.0046479500000000, 0.0005535900000000, -0.0000013100000000 ] - [ 0.0045524500000000, 0.0003015500000000, -0.0000000600000000 ] - [ 0.0046082200000000, 0.0003058400000000, 0.0000000800000000 ] - [ 0.0045754900000000, 0.0000771300000000, -0.0000000500000000 ] - [ 0.0046721000000000, 0.0003416900000000, -0.0000001400000000 ] - [ 0.0046140100000000, 0.0003362900000000, -0.0000002500000000 ] - [ -0.0046121900000000, -0.0003224100000000, 0.0000621800000000 ] - [ -0.0046115600000000, -0.0003157800000000, -0.0000289800000000 ] - [ -0.0046109800000000, -0.0003209000000000, -0.0000154100000000 ] - [ -0.0046121700000000, -0.0003211700000000, -0.0000428600000000 ] - [ -0.0046115900000000, -0.0003157800000000, 0.0000312100000000 ] - [ -0.0046111400000000, -0.0003210600000000, 0.0000121600000000 ] - [ -0.0046107700000000, 0.0003208800000000, -0.0000942300000000 ] - [ -0.0046121200000000, 0.0003215600000000, -0.0000030800000000 ] - [ -0.0046118000000000, 0.0003158800000000, -0.0000119500000000 ] - [ -0.0046116800000000, 0.0003213300000000, 0.0001089800000000 ] - [ -0.0046122800000000, 0.0003216200000000, 0.0000014700000000 ] - [ -0.0046111400000000, 0.0003159200000000, 0.0000057400000000 ] - [ 0.0004921700000000, -0.0144858700000000, -0.0000728800000000 ] - [ 0.0002438000000000, -0.0147054900000000, 0.0000002400000000 ] - [ 0.0001987300000000, -0.0143862100000000, -0.0001145000000000 ] - [ 0.0001476100000000, -0.0148806400000000, -0.0000731600000000 ] - [ 0.0002417500000000, -0.0146819500000000, 0.0000003600000000 ] - [ 0.0003223400000000, -0.0150431700000000, -0.0001136300000000 ] - [ -0.0003348400000000, 0.0146862300000000, 0.0010526300000000 ] - [ -0.0002608000000000, 0.0147120500000000, -0.0000278400000000 ] - [ -0.0002412900000000, 0.0146938400000000, 0.0010555100000000 ] - [ -0.0003185300000000, 0.0146839800000000, -0.0008600800000000 ] - [ -0.0002603200000000, 0.0147130800000000, 0.0000316900000000 ] - [ -0.0002423100000000, 0.0146939000000000, -0.0002229300000000 ] - [ 0.0009694500000000, 0.0141168300000000, 0.0010041600000000 ] - [ 0.0002458600000000, 0.0147549700000000, 0.0000106300000000 ] - [ 0.0003770100000000, 0.0146716100000000, 0.0000701600000000 ] - [ -0.0004603200000000, 0.0152224800000000, 0.0011153900000000 ] - [ 0.0002744600000000, 0.0146692000000000, 0.0000099600000000 ] - [ 0.0002640100000000, 0.0146943200000000, 0.0000709800000000 ] - [ -0.0002606600000000, -0.0147190400000000, 0.0009395400000000 ] - [ -0.0002429800000000, -0.0146929100000000, 0.0000507200000000 ] - [ -0.0003212700000000, -0.0146824400000000, 0.0000188400000000 ] - [ -0.0002599800000000, -0.0147143200000000, -0.0002370300000000 ] - [ -0.0002433200000000, -0.0146933700000000, -0.0000695100000000 ] - [ -0.0003206300000000, -0.0146825900000000, -0.0000160800000000 ] - [ 0.0002426400000000, -0.0146938700000000, 0.0007704200000000 ] - [ 0.0002605900000000, -0.0147118900000000, 0.0000421800000000 ] - [ 0.0003203500000000, -0.0146838100000000, -0.0000190700000000 ] - [ 0.0002429900000000, -0.0146964000000000, -0.0009241900000000 ] - [ 0.0002601200000000, -0.0147132400000000, -0.0000496000000000 ] - [ 0.0003207300000000, -0.0146823000000000, 0.0000014000000000 ] - [ -0.0002434300000000, 0.0146785000000000, 0.0000901800000000 ] - [ -0.0001924100000000, 0.0146956000000000, -0.0000001900000000 ] - [ -0.0003629900000000, 0.0146841600000000, -0.0000022400000000 ] - [ -0.0002772400000000, 0.0147469700000000, 0.0000917000000000 ] - [ -0.0002928600000000, 0.0146911300000000, -0.0000002400000000 ] - [ -0.0002787100000000, 0.0146814700000000, -0.0000019800000000 ] - [ 0.0003213400000000, 0.0146827200000000, 0.0000753500000000 ] - [ 0.0002426900000000, 0.0146932300000000, 0.0000195800000000 ] - [ 0.0002590600000000, 0.0147141300000000, 0.0000055100000000 ] - [ 0.0003205300000000, 0.0146824500000000, -0.0000882300000000 ] - [ 0.0002432500000000, 0.0146930500000000, -0.0000193800000000 ] - [ 0.0002597500000000, 0.0147124700000000, -0.0000697600000000 ] - [ 0.0001086400000000, -0.0150869700000000, 0.0000331400000000 ] - [ -0.0002561000000000, -0.0146932000000000, 0.0000012500000000 ] - [ -0.0004349700000000, -0.0147580100000000, 0.0000268600000000 ] - [ -0.0007522700000000, -0.0142769400000000, 0.0000320200000000 ] - [ -0.0002653400000000, -0.0147316900000000, 0.0000014200000000 ] - [ -0.0000487700000000, -0.0146273500000000, 0.0000271700000000 ] - [ 0.0003261800000000, 0.0000495000000000, -0.0001889600000000 ] - [ 0.0000499100000000, 0.0000214300000000, -0.0001119800000000 ] - [ -0.0000533000000000, -0.0000116300000000, -0.0000190500000000 ] - [ -0.0001645600000000, -0.0000743400000000, 0.0000910100000000 ] - [ 0.0000036800000000, -0.0000543300000000, 0.0001357300000000 ] - [ -0.0000309000000000, 0.0000117100000000, 0.0000197800000000 ] - [ -0.0003221900000000, -0.0000497000000000, -0.0001831700000000 ] - [ 0.0000342500000000, -0.0000211700000000, -0.0001111300000000 ] - [ -0.0000314500000000, 0.0000115800000000, -0.0000196100000000 ] - [ 0.0001652700000000, 0.0000757900000000, 0.0000908100000000 ] - [ 0.0000810900000000, 0.0000543500000000, 0.0001370800000000 ] - [ -0.0000535600000000, -0.0000119000000000, 0.0000200500000000 ] - [ -0.0022516000000000, 0.0028256600000000, -0.0001147900000000 ] - [ 0.0000138300000000, 0.0000000300000000, -0.0000009800000000 ] - [ 0.0000141000000000, -0.0002492900000000, -0.0001311400000000 ] - [ 0.0008067600000000, -0.0007232300000000, 0.0010899200000000 ] - [ -0.0000135400000000, 0.0000027100000000, 0.0000004700000000 ] - [ -0.0000090500000000, 0.0000989400000000, 0.0000353200000000 ] - [ 0.0021814600000000, -0.0028444000000000, -0.0001197500000000 ] - [ -0.0000131600000000, -0.0000000300000000, -0.0000004600000000 ] - [ 0.0000709700000000, 0.0002502200000000, -0.0001348700000000 ] - [ -0.0009014700000000, 0.0007272100000000, 0.0010836400000000 ] - [ 0.0000141000000000, -0.0000031300000000, -0.0000003700000000 ] - [ 0.0000930900000000, -0.0000995400000000, 0.0000356200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000459400000000, 0.0000011500000000, 0.0000122800000000 ] - [ 0.0002989200000000, -0.0000036400000000, 0.0000213400000000 ] - [ -0.0001924500000000, 0.0000044700000000, -0.0000065400000000 ] - [ -0.0000926800000000, -0.0000005100000000, -0.0000777300000000 ] - [ 0.0003396500000000, -0.0000451000000000, 0.0000199600000000 ] - [ -0.0002207800000000, -0.0000117900000000, 0.0000263500000000 ] - [ -0.0000926800000000, -0.0000005100000000, 0.0000777300000000 ] - [ 0.0003396500000000, -0.0000451000000000, -0.0000199600000000 ] - [ -0.0002207800000000, -0.0000117900000000, -0.0000263500000000 ] - [ -0.0000459400000000, 0.0000011500000000, -0.0000122800000000 ] - [ 0.0002989200000000, -0.0000036400000000, -0.0000213400000000 ] - [ -0.0001924500000000, 0.0000044700000000, 0.0000065400000000 ] - [ 0.0036851300000000, -0.0023642800000000, -0.0021593600000000 ] - [ -0.0004871200000000, 0.0000914000000000, -0.0001641500000000 ] - [ -0.0001684400000000, 0.0000071800000000, 0.0000389000000000 ] - [ 0.0002485900000000, 0.0001057600000000, -0.0001431700000000 ] - [ -0.0003398500000000, -0.0003054300000000, 0.0000521400000000 ] - [ -0.0001642900000000, 0.0000130900000000, 0.0000102800000000 ] - [ 0.0002485900000000, 0.0001057600000000, 0.0001431700000000 ] - [ -0.0003398500000000, -0.0003054300000000, -0.0000521400000000 ] - [ -0.0001642900000000, 0.0000130900000000, -0.0000102800000000 ] - [ 0.0036851300000000, -0.0023642800000000, 0.0021593600000000 ] - [ -0.0004871200000000, 0.0000914000000000, 0.0001641500000000 ] - [ -0.0001684400000000, 0.0000071800000000, -0.0000389000000000 ] - [ 0.0044885900000000, -0.0005245000000000, 0.0001707500000000 ] - [ 0.0047302100000000, -0.0000167100000000, -0.0000618800000000 ] - [ 0.0045128900000000, -0.0002697100000000, 0.0000011000000000 ] - [ 0.0044885900000000, -0.0005245000000000, -0.0001707500000000 ] - [ 0.0047302100000000, -0.0000167100000000, 0.0000618800000000 ] - [ 0.0045128900000000, -0.0002697100000000, -0.0000011000000000 ] - [ 0.0053848300000000, 0.0003803700000000, 0.0007128600000000 ] - [ 0.0043531400000000, 0.0003962400000000, 0.0000563300000000 ] - [ 0.0044112000000000, 0.0002089300000000, -0.0000142200000000 ] - [ 0.0053848300000000, 0.0003803700000000, -0.0007128600000000 ] - [ 0.0043531400000000, 0.0003962400000000, -0.0000563300000000 ] - [ 0.0044112000000000, 0.0002089300000000, 0.0000142200000000 ] - [ -0.0040617800000000, -0.0004928700000000, 0.0000000000000000 ] - [ -0.0047871700000000, -0.0002564800000000, 0.0000000000000000 ] - [ -0.0047579200000000, -0.0004276200000000, 0.0000000000000000 ] - [ -0.0044513700000000, -0.0001939100000000, 0.0000000000000000 ] - [ -0.0047205400000000, -0.0002600900000000, 0.0000000000000000 ] - [ -0.0046675500000000, -0.0004181400000000, 0.0000000000000000 ] - [ -0.0047370600000000, 0.0001079100000000, 0.0000000000000000 ] - [ 0.0011972900000000, -0.0010598200000000, 0.0000000000000000 ] - [ -0.0047985300000000, 0.0003646800000000, 0.0000000000000000 ] - [ -0.0043976400000000, 0.0002377900000000, 0.0000000000000000 ] - [ -0.0046087300000000, 0.0004923100000000, 0.0000000000000000 ] - [ -0.0047981000000000, 0.0003705400000000, 0.0000000000000000 ] - [ 0.0054234400000000, 0.0002782000000000, 0.0000000000000000 ] - [ 0.0041294200000000, -0.0002945800000000, 0.0000000000000000 ] - [ 0.0043733900000000, -0.0002731700000000, 0.0000000000000000 ] - [ 0.0048118100000000, -0.0004508000000000, 0.0000000000000000 ] - [ 0.0045258700000000, -0.0003619700000000, 0.0000000000000000 ] - [ 0.0044788800000000, -0.0002192700000000, 0.0000000000000000 ] - [ 0.0047096800000000, 0.0004792200000000, 0.0000000000000000 ] - [ 0.0047748600000000, -0.0000852500000000, 0.0000000000000000 ] - [ 0.0044781300000000, 0.0002787200000000, 0.0000000000000000 ] - [ 0.0046143200000000, 0.0003509200000000, 0.0000000000000000 ] - [ 0.0046966300000000, 0.0002165900000000, 0.0000000000000000 ] - [ 0.0045282600000000, 0.0002753100000000, 0.0000000000000000 ] - [ -0.0043933100000000, -0.0002057800000000, 0.0001931100000000 ] - [ -0.0046784700000000, -0.0006433500000000, -0.0004313400000000 ] - [ -0.0047706800000000, -0.0003678700000000, -0.0000046600000000 ] - [ -0.0043933100000000, -0.0002057800000000, -0.0001931100000000 ] - [ -0.0046784700000000, -0.0006433500000000, 0.0004313400000000 ] - [ -0.0047706800000000, -0.0003678700000000, 0.0000046600000000 ] - [ -0.0044684500000000, 0.0001350800000000, -0.0000173600000000 ] - [ -0.0047156500000000, 0.0002894900000000, -0.0000506000000000 ] - [ -0.0046818100000000, 0.0004140800000000, 0.0000420000000000 ] - [ -0.0044684500000000, 0.0001350800000000, 0.0000173600000000 ] - [ -0.0047156500000000, 0.0002894900000000, 0.0000506000000000 ] - [ -0.0046818100000000, 0.0004140800000000, -0.0000420000000000 ] - [ -0.0455401200000000, -0.0286392900000000, 0.0000000000000000 ] - [ 0.0009344400000000, -0.0144907600000000, 0.0000000000000000 ] - [ 0.0009652600000000, -0.0146463200000000, 0.0000000000000000 ] - [ -0.0006619700000000, -0.0150652200000000, 0.0000000000000000 ] - [ 0.0007697600000000, -0.0144353200000000, 0.0000000000000000 ] - [ 0.0007867400000000, -0.0146174000000000, 0.0000000000000000 ] - [ -0.0005209600000000, 0.0149993700000000, -0.0003397900000000 ] - [ -0.0001256300000000, 0.0146721600000000, 0.0000445500000000 ] - [ -0.0000545300000000, 0.0147907900000000, -0.0000407200000000 ] - [ -0.0005209600000000, 0.0149993700000000, 0.0003397900000000 ] - [ -0.0001256300000000, 0.0146721600000000, -0.0000445500000000 ] - [ -0.0000545300000000, 0.0147907900000000, 0.0000407200000000 ] - [ 0.0002721600000000, 0.0155563900000000, 0.0000000000000000 ] - [ 0.0002893000000000, 0.0143050000000000, 0.0000000000000000 ] - [ 0.0006037800000000, 0.0146126600000000, 0.0000000000000000 ] - [ 0.0002058700000000, 0.0147273500000000, 0.0000000000000000 ] - [ 0.0002233500000000, 0.0145874000000000, 0.0000000000000000 ] - [ 0.0005293300000000, 0.0146225000000000, 0.0000000000000000 ] - [ 0.0004721400000000, -0.0152191300000000, -0.0012024800000000 ] - [ 0.0005110500000000, -0.0144915100000000, 0.0028254200000000 ] - [ 0.0001451600000000, -0.0148169900000000, -0.0000193700000000 ] - [ 0.0004721400000000, -0.0152191300000000, 0.0012024800000000 ] - [ 0.0005110500000000, -0.0144915100000000, -0.0028254200000000 ] - [ 0.0001451600000000, -0.0148169900000000, 0.0000193700000000 ] - [ 0.0001826800000000, -0.0146720700000000, -0.0001458200000000 ] - [ 0.0002011400000000, -0.0146083300000000, 0.0001856100000000 ] - [ 0.0005486400000000, -0.0146229500000000, -0.0000103400000000 ] - [ 0.0001826800000000, -0.0146720700000000, 0.0001458200000000 ] - [ 0.0002011400000000, -0.0146083300000000, -0.0001856100000000 ] - [ 0.0005486400000000, -0.0146229500000000, 0.0000103400000000 ] - [ 0.0019548900000000, 0.0131084100000000, 0.0000000000000000 ] - [ 0.0015851500000000, 0.0181412500000000, 0.0000000000000000 ] - [ 0.0001893400000000, 0.0148558600000000, 0.0000000000000000 ] - [ -0.0004975800000000, 0.0143252100000000, 0.0000000000000000 ] - [ -0.0001177000000000, 0.0155511200000000, 0.0000000000000000 ] - [ 0.0000801300000000, 0.0148297400000000, 0.0000000000000000 ] - [ -0.0013431100000000, 0.0146590200000000, -0.0001564200000000 ] - [ 0.0006008300000000, 0.0146291600000000, 0.0001099000000000 ] - [ 0.0006187200000000, 0.0144791500000000, -0.0002127500000000 ] - [ -0.0013431100000000, 0.0146590200000000, 0.0001564200000000 ] - [ 0.0006008300000000, 0.0146291600000000, -0.0001099000000000 ] - [ 0.0006187200000000, 0.0144791500000000, 0.0002127500000000 ] - [ -0.0007932100000000, -0.0143894400000000, 0.0000000000000000 ] - [ 0.0000280000000000, -0.0145396900000000, 0.0000000000000000 ] - [ 0.0000800400000000, -0.0148512700000000, 0.0000000000000000 ] - [ -0.0005902200000000, -0.0144813700000000, 0.0000000000000000 ] - [ -0.0001224500000000, -0.0147370500000000, 0.0000000000000000 ] - [ -0.0000943600000000, -0.0147613500000000, 0.0000000000000000 ] - [ -0.0001949100000000, 0.0006545200000000, 0.0004384200000000 ] - [ 0.0011294300000000, -0.0007809300000000, -0.0003365100000000 ] - [ -0.0003226200000000, -0.0000509800000000, 0.0000392200000000 ] - [ -0.0006767200000000, -0.0003109700000000, -0.0004514000000000 ] - [ 0.0129045900000000, 0.0096293500000000, -0.0097619900000000 ] - [ -0.0003056700000000, -0.0001017100000000, 0.0000956100000000 ] - [ -0.0006767200000000, -0.0003109700000000, 0.0004514000000000 ] - [ 0.0129045900000000, 0.0096293500000000, 0.0097619900000000 ] - [ -0.0003056700000000, -0.0001017100000000, -0.0000956100000000 ] - [ -0.0001949100000000, 0.0006545200000000, -0.0004384200000000 ] - [ 0.0011294300000000, -0.0007809300000000, 0.0003365100000000 ] - [ -0.0003226200000000, -0.0000509800000000, -0.0000392200000000 ] - [ 0.0001994100000000, -0.0001977000000000, 0.0001351900000000 ] - [ -0.0000944700000000, -0.0000338300000000, -0.0001937800000000 ] - [ -0.0001349000000000, 0.0000371500000000, 0.0000556100000000 ] - [ -0.0000990700000000, -0.0000243700000000, -0.0001579200000000 ] - [ -0.0001081200000000, 0.0000006500000000, 0.0000399700000000 ] - [ -0.0000840900000000, -0.0000217600000000, -0.0000251500000000 ] - [ -0.0000990700000000, -0.0000243700000000, 0.0001579200000000 ] - [ -0.0001081200000000, 0.0000006500000000, -0.0000399700000000 ] - [ -0.0000840900000000, -0.0000217600000000, 0.0000251500000000 ] - [ 0.0001994100000000, -0.0001977000000000, -0.0001351900000000 ] - [ -0.0000944700000000, -0.0000338300000000, 0.0001937800000000 ] - [ -0.0001349000000000, 0.0000371500000000, -0.0000556100000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000467400000000, -0.0000011800000000, -0.0000124400000000 ] - [ -0.0001219200000000, 0.0000037900000000, -0.0000216900000000 ] - [ 0.0000169400000000, -0.0000044200000000, 0.0000064500000000 ] - [ 0.0000939800000000, 0.0000006200000000, 0.0000784700000000 ] - [ -0.0001627900000000, 0.0000451000000000, -0.0000196700000000 ] - [ 0.0000452700000000, 0.0000118800000000, -0.0000263200000000 ] - [ 0.0000939800000000, 0.0000006200000000, -0.0000784700000000 ] - [ -0.0001627900000000, 0.0000451000000000, 0.0000196700000000 ] - [ 0.0000452700000000, 0.0000118800000000, 0.0000263200000000 ] - [ 0.0000467400000000, -0.0000011800000000, 0.0000124400000000 ] - [ -0.0001219200000000, 0.0000037900000000, 0.0000216900000000 ] - [ 0.0000169400000000, -0.0000044200000000, -0.0000064500000000 ] - [ -0.0039370900000000, 0.0024505400000000, 0.0022622800000000 ] - [ 0.0004899200000000, -0.0000907600000000, 0.0001624400000000 ] - [ 0.0003464600000000, -0.0000071700000000, -0.0000392300000000 ] - [ -0.0004277400000000, -0.0001076000000000, 0.0001428000000000 ] - [ 0.0003430900000000, 0.0003063100000000, -0.0000530900000000 ] - [ 0.0003424200000000, -0.0000132900000000, -0.0000103200000000 ] - [ -0.0004277400000000, -0.0001076000000000, -0.0001428000000000 ] - [ 0.0003430900000000, 0.0003063100000000, 0.0000530900000000 ] - [ 0.0003424200000000, -0.0000132900000000, 0.0000103200000000 ] - [ -0.0039370900000000, 0.0024505400000000, -0.0022622800000000 ] - [ 0.0004899200000000, -0.0000907600000000, -0.0001624400000000 ] - [ 0.0003464600000000, -0.0000071700000000, 0.0000392300000000 ] - [ 0.0047368200000000, -0.0001051000000000, -0.0001732800000000 ] - [ 0.0044955900000000, -0.0006283000000000, 0.0000625900000000 ] - [ 0.0047101500000000, -0.0003722300000000, -0.0000011700000000 ] - [ 0.0047368200000000, -0.0001051000000000, 0.0001732800000000 ] - [ 0.0044955900000000, -0.0006283000000000, -0.0000625900000000 ] - [ 0.0047101500000000, -0.0003722300000000, 0.0000011700000000 ] - [ 0.0038276800000000, 0.0002579500000000, -0.0007162200000000 ] - [ 0.0048719100000000, 0.0002345700000000, -0.0000568700000000 ] - [ 0.0048144800000000, 0.0004344700000000, 0.0000143500000000 ] - [ 0.0038276800000000, 0.0002579500000000, 0.0007162200000000 ] - [ 0.0048719100000000, 0.0002345700000000, 0.0000568700000000 ] - [ 0.0048144800000000, 0.0004344700000000, -0.0000143500000000 ] - [ -0.0051660500000000, -0.0001276500000000, 0.0000000000000000 ] - [ -0.0044370100000000, -0.0003859000000000, 0.0000000000000000 ] - [ -0.0044631800000000, -0.0002030700000000, 0.0000000000000000 ] - [ -0.0047702500000000, -0.0004486300000000, 0.0000000000000000 ] - [ -0.0045027900000000, -0.0003831100000000, 0.0000000000000000 ] - [ -0.0045547000000000, -0.0002127900000000, 0.0000000000000000 ] - [ -0.0045501100000000, 0.0005069700000000, 0.0000000000000000 ] - [ -0.0101922000000000, 0.0016113800000000, 0.0000000000000000 ] - [ -0.0044221200000000, 0.0002769800000000, 0.0000000000000000 ] - [ -0.0048269600000000, 0.0004055500000000, 0.0000000000000000 ] - [ -0.0046138800000000, 0.0001364000000000, 0.0000000000000000 ] - [ -0.0044232300000000, 0.0002710900000000, 0.0000000000000000 ] - [ 0.0037984500000000, -0.0009140400000000, 0.0000000000000000 ] - [ 0.0050942500000000, -0.0003356300000000, 0.0000000000000000 ] - [ 0.0048513700000000, -0.0003697100000000, 0.0000000000000000 ] - [ 0.0044093700000000, -0.0001904000000000, 0.0000000000000000 ] - [ 0.0046977400000000, -0.0002691200000000, 0.0000000000000000 ] - [ 0.0047464200000000, -0.0004238800000000, 0.0000000000000000 ] - [ 0.0045139900000000, 0.0001528900000000, 0.0000000000000000 ] - [ 0.0044502200000000, 0.0007294800000000, 0.0000000000000000 ] - [ 0.0047447200000000, 0.0003632100000000, 0.0000000000000000 ] - [ 0.0046090900000000, 0.0002805100000000, 0.0000000000000000 ] - [ 0.0045286500000000, 0.0004277500000000, 0.0000000000000000 ] - [ 0.0046946400000000, 0.0003665700000000, 0.0000000000000000 ] - [ -0.0048327400000000, -0.0004369300000000, -0.0001934200000000 ] - [ -0.0045410700000000, 0.0000145800000000, 0.0004298100000000 ] - [ -0.0044501100000000, -0.0002735500000000, 0.0000046300000000 ] - [ -0.0048327400000000, -0.0004369300000000, 0.0001934200000000 ] - [ -0.0045410700000000, 0.0000145800000000, -0.0004298100000000 ] - [ -0.0044501100000000, -0.0002735500000000, -0.0000046300000000 ] - [ -0.0047530700000000, 0.0005097700000000, 0.0000168500000000 ] - [ -0.0045078400000000, 0.0003535700000000, 0.0000503500000000 ] - [ -0.0045402800000000, 0.0002172200000000, -0.0000421800000000 ] - [ -0.0047530700000000, 0.0005097700000000, -0.0000168500000000 ] - [ -0.0045078400000000, 0.0003535700000000, -0.0000503500000000 ] - [ -0.0045402800000000, 0.0002172200000000, 0.0000421800000000 ] - [ 0.0458566500000000, -0.0013431500000000, 0.0000000000000000 ] - [ -0.0004543500000000, -0.0148937300000000, 0.0000000000000000 ] - [ -0.0004408900000000, -0.0147776300000000, 0.0000000000000000 ] - [ 0.0013069900000000, -0.0142951200000000, 0.0000000000000000 ] - [ -0.0002854100000000, -0.0149521200000000, 0.0000000000000000 ] - [ -0.0002683200000000, -0.0148087500000000, 0.0000000000000000 ] - [ -0.0001189300000000, 0.0143656700000000, 0.0003420100000000 ] - [ -0.0003961300000000, 0.0147523100000000, -0.0000443700000000 ] - [ -0.0004310400000000, 0.0145969100000000, 0.0000412300000000 ] - [ -0.0001189300000000, 0.0143656700000000, -0.0003420100000000 ] - [ -0.0003961300000000, 0.0147523100000000, 0.0000443700000000 ] - [ -0.0004310400000000, 0.0145969100000000, -0.0000412300000000 ] - [ 0.0002155000000000, 0.0138227200000000, 0.0000000000000000 ] - [ 0.0002334300000000, 0.0151206100000000, 0.0000000000000000 ] - [ 0.0000389000000000, 0.0147531700000000, 0.0000000000000000 ] - [ 0.0002821300000000, 0.0146587700000000, 0.0000000000000000 ] - [ 0.0002990500000000, 0.0148378900000000, 0.0000000000000000 ] - [ 0.0001140100000000, 0.0147430100000000, 0.0000000000000000 ] - [ -0.0009957000000000, -0.0142010800000000, 0.0012063900000000 ] - [ -0.0010009000000000, -0.0148953900000000, -0.0028178500000000 ] - [ -0.0007882300000000, -0.0145483300000000, 0.0000197900000000 ] - [ -0.0009957000000000, -0.0142010800000000, -0.0012063900000000 ] - [ -0.0010009000000000, -0.0148953900000000, 0.0028178500000000 ] - [ -0.0007882300000000, -0.0145483300000000, -0.0000197900000000 ] - [ 0.0003046200000000, -0.0147148800000000, 0.0001474600000000 ] - [ 0.0003219000000000, -0.0148176700000000, -0.0001845400000000 ] - [ 0.0000932900000000, -0.0147440100000000, 0.0000106200000000 ] - [ 0.0003046200000000, -0.0147148800000000, -0.0001474600000000 ] - [ 0.0003219000000000, -0.0148176700000000, 0.0001845400000000 ] - [ 0.0000932900000000, -0.0147440100000000, -0.0000106200000000 ] - [ -0.0024785900000000, 0.0163249300000000, 0.0000000000000000 ] - [ -0.0020557700000000, 0.0112819100000000, 0.0000000000000000 ] - [ -0.0008324900000000, 0.0145098800000000, 0.0000000000000000 ] - [ -0.0000205200000000, 0.0151031500000000, 0.0000000000000000 ] - [ -0.0003696300000000, 0.0138334300000000, 0.0000000000000000 ] - [ -0.0007236000000000, 0.0145356500000000, 0.0000000000000000 ] - [ 0.0019918300000000, 0.0146969900000000, 0.0001454500000000 ] - [ -0.0001152700000000, 0.0147560900000000, -0.0001089900000000 ] - [ -0.0000969500000000, 0.0149471700000000, 0.0002134900000000 ] - [ 0.0019918300000000, 0.0146969900000000, -0.0001454500000000 ] - [ -0.0001152700000000, 0.0147560900000000, 0.0001089900000000 ] - [ -0.0000969500000000, 0.0149471700000000, -0.0002134900000000 ] - [ 0.0001535000000000, -0.0149783000000000, 0.0000000000000000 ] - [ -0.0005494200000000, -0.0148835600000000, 0.0000000000000000 ] - [ -0.0005684900000000, -0.0145332800000000, 0.0000000000000000 ] - [ -0.0000490800000000, -0.0148881100000000, 0.0000000000000000 ] - [ -0.0003994000000000, -0.0146876700000000, 0.0000000000000000 ] - [ -0.0003921300000000, -0.0146254900000000, 0.0000000000000000 ] - [ 0.0001960800000000, -0.0006569800000000, -0.0004405300000000 ] - [ -0.0010433700000000, 0.0007759500000000, 0.0003412600000000 ] - [ 0.0002402000000000, 0.0000510200000000, -0.0000398200000000 ] - [ 0.0006792000000000, 0.0003092600000000, 0.0004508000000000 ] - [ -0.0127099600000000, -0.0093770900000000, 0.0095059300000000 ] - [ 0.0002232900000000, 0.0001012300000000, -0.0000946500000000 ] - [ 0.0006792000000000, 0.0003092600000000, -0.0004508000000000 ] - [ -0.0127099600000000, -0.0093770900000000, -0.0095059300000000 ] - [ 0.0002232900000000, 0.0001012300000000, 0.0000946500000000 ] - [ 0.0001960800000000, -0.0006569800000000, 0.0004405300000000 ] - [ -0.0010433700000000, 0.0007759500000000, -0.0003412600000000 ] - [ 0.0002402000000000, 0.0000510200000000, 0.0000398200000000 ] - [ -0.0002850900000000, 0.0001988200000000, -0.0001376100000000 ] - [ 0.0000954600000000, 0.0000337700000000, 0.0001936800000000 ] - [ 0.0002206800000000, -0.0000373000000000, -0.0000560900000000 ] - [ 0.0000154200000000, 0.0000248900000000, 0.0001593700000000 ] - [ 0.0001088800000000, -0.0000004700000000, -0.0000398600000000 ] - [ 0.0001696800000000, 0.0000217300000000, 0.0000252600000000 ] - [ 0.0000154200000000, 0.0000248900000000, -0.0001593700000000 ] - [ 0.0001088800000000, -0.0000004700000000, 0.0000398600000000 ] - [ 0.0001696800000000, 0.0000217300000000, -0.0000252600000000 ] - [ -0.0002850900000000, 0.0001988200000000, 0.0001376100000000 ] - [ 0.0000954600000000, 0.0000337700000000, -0.0001936800000000 ] - [ 0.0002206800000000, -0.0000373000000000, 0.0000560900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000565200000000, 0.0000015900000000, 0.0000008400000000 ] - [ 0.0002424600000000, -0.0000078700000000, 0.0000387200000000 ] - [ -0.0001064000000000, -0.0000130800000000, 0.0000046500000000 ] - [ -0.0001182900000000, -0.0000210900000000, -0.0001024700000000 ] - [ 0.0002124100000000, -0.0001811100000000, -0.0000923600000000 ] - [ -0.0000995400000000, 0.0000205900000000, 0.0000098500000000 ] - [ -0.0001182900000000, -0.0000210900000000, 0.0001024700000000 ] - [ 0.0002124100000000, -0.0001811100000000, 0.0000923600000000 ] - [ -0.0000995400000000, 0.0000205900000000, -0.0000098500000000 ] - [ -0.0000565200000000, 0.0000015900000000, -0.0000008400000000 ] - [ 0.0002424600000000, -0.0000078700000000, -0.0000387200000000 ] - [ -0.0001064000000000, -0.0000130800000000, -0.0000046500000000 ] - [ -0.0030693900000000, 0.0045633000000000, 0.0026625600000000 ] - [ -0.0003333200000000, 0.0004489000000000, -0.0003056000000000 ] - [ 0.0000421900000000, -0.0000013300000000, 0.0000114200000000 ] - [ 0.0003037800000000, 0.0003053400000000, 0.0000652400000000 ] - [ -0.0001134000000000, 0.0000602100000000, -0.0000398900000000 ] - [ 0.0000158100000000, 0.0000551900000000, 0.0000141900000000 ] - [ 0.0003037800000000, 0.0003053400000000, -0.0000652400000000 ] - [ -0.0001134000000000, 0.0000602100000000, 0.0000398900000000 ] - [ 0.0000158100000000, 0.0000551900000000, -0.0000141900000000 ] - [ -0.0030693900000000, 0.0045633000000000, -0.0026625600000000 ] - [ -0.0003333200000000, 0.0004489000000000, 0.0003056000000000 ] - [ 0.0000421900000000, -0.0000013300000000, -0.0000114200000000 ] - [ 0.0043829800000000, -0.0003927200000000, 0.0001967000000000 ] - [ 0.0049060700000000, -0.0004006700000000, 0.0003277200000000 ] - [ 0.0045920900000000, -0.0002725200000000, -0.0000116000000000 ] - [ 0.0043829800000000, -0.0003927200000000, -0.0001967000000000 ] - [ 0.0049060700000000, -0.0004006700000000, -0.0003277200000000 ] - [ 0.0045920900000000, -0.0002725200000000, 0.0000116000000000 ] - [ 0.0047733900000000, 0.0009952900000000, 0.0005598500000000 ] - [ 0.0045717300000000, 0.0003629800000000, 0.0000100100000000 ] - [ 0.0045398700000000, 0.0003097900000000, -0.0000429500000000 ] - [ 0.0047733900000000, 0.0009952900000000, -0.0005598500000000 ] - [ 0.0045717300000000, 0.0003629800000000, -0.0000100100000000 ] - [ 0.0045398700000000, 0.0003097900000000, 0.0000429500000000 ] - [ -0.0045216500000000, 0.0043680900000000, 0.0000000000000000 ] - [ -0.0045014300000000, -0.0002784100000000, 0.0000000000000000 ] - [ -0.0047485600000000, -0.0003002800000000, 0.0000000000000000 ] - [ -0.0045146900000000, -0.0001759600000000, 0.0000000000000000 ] - [ -0.0046418200000000, -0.0002693900000000, 0.0000000000000000 ] - [ -0.0046422500000000, -0.0003213600000000, 0.0000000000000000 ] - [ -0.0053003400000000, 0.0009951700000000, 0.0000000000000000 ] - [ -0.0054889900000000, 0.0015998700000000, 0.0000000000000000 ] - [ -0.0046339200000000, 0.0003380400000000, 0.0000000000000000 ] - [ -0.0044919000000000, 0.0003404500000000, 0.0000000000000000 ] - [ -0.0046627500000000, 0.0003841600000000, 0.0000000000000000 ] - [ -0.0046817600000000, 0.0003563700000000, 0.0000000000000000 ] - [ 0.0048385900000000, -0.0021258500000000, 0.0000000000000000 ] - [ 0.0040827700000000, -0.0003708400000000, 0.0000000000000000 ] - [ 0.0046588700000000, -0.0003524700000000, 0.0000000000000000 ] - [ 0.0047642900000000, -0.0005112900000000, 0.0000000000000000 ] - [ 0.0045308600000000, -0.0003971000000000, 0.0000000000000000 ] - [ 0.0045543000000000, -0.0003369100000000, 0.0000000000000000 ] - [ 0.0045950400000000, 0.0000615700000000, 0.0000000000000000 ] - [ 0.0047086900000000, -0.0003056100000000, 0.0000000000000000 ] - [ 0.0046056600000000, 0.0002833600000000, 0.0000000000000000 ] - [ 0.0046123900000000, 0.0002147900000000, 0.0000000000000000 ] - [ 0.0045967800000000, 0.0001116200000000, 0.0000000000000000 ] - [ 0.0045885400000000, 0.0002625100000000, 0.0000000000000000 ] - [ -0.0043338400000000, -0.0004281800000000, -0.0000642000000000 ] - [ -0.0049478500000000, -0.0006471500000000, -0.0004053800000000 ] - [ -0.0046579600000000, -0.0003824000000000, 0.0000195300000000 ] - [ -0.0043338400000000, -0.0004281800000000, 0.0000642000000000 ] - [ -0.0049478500000000, -0.0006471500000000, 0.0004053800000000 ] - [ -0.0046579600000000, -0.0003824000000000, -0.0000195300000000 ] - [ -0.0045055800000000, -0.0001678800000000, 0.0000340200000000 ] - [ -0.0046659400000000, 0.0002339800000000, -0.0000027200000000 ] - [ -0.0046380600000000, 0.0002823900000000, -0.0000016100000000 ] - [ -0.0045055800000000, -0.0001678800000000, -0.0000340200000000 ] - [ -0.0046659400000000, 0.0002339800000000, 0.0000027200000000 ] - [ -0.0046380600000000, 0.0002823900000000, 0.0000016100000000 ] - [ -0.0135518600000000, -0.0610432200000000, 0.0000000000000000 ] - [ 0.0003082900000000, -0.0150540900000000, 0.0000000000000000 ] - [ 0.0004615700000000, -0.0150726600000000, 0.0000000000000000 ] - [ -0.0000608200000000, -0.0157453000000000, 0.0000000000000000 ] - [ 0.0003368100000000, -0.0148019700000000, 0.0000000000000000 ] - [ 0.0005189600000000, -0.0148208500000000, 0.0000000000000000 ] - [ -0.0000047300000000, 0.0154734400000000, -0.0007205000000000 ] - [ -0.0003011600000000, 0.0147009100000000, -0.0001118800000000 ] - [ -0.0001462000000000, 0.0147127700000000, -0.0000149000000000 ] - [ -0.0000047300000000, 0.0154734400000000, 0.0007205000000000 ] - [ -0.0003011600000000, 0.0147009100000000, 0.0001118800000000 ] - [ -0.0001462000000000, 0.0147127700000000, 0.0000149000000000 ] - [ 0.0006497600000000, 0.0156239300000000, 0.0000000000000000 ] - [ -0.0006047500000000, 0.0156460200000000, 0.0000000000000000 ] - [ 0.0003912600000000, 0.0146395300000000, 0.0000000000000000 ] - [ 0.0003672300000000, 0.0146417800000000, 0.0000000000000000 ] - [ 0.0002270700000000, 0.0146606400000000, 0.0000000000000000 ] - [ 0.0003813500000000, 0.0146535900000000, 0.0000000000000000 ] - [ 0.0002480300000000, -0.0156332200000000, -0.0005954600000000 ] - [ -0.0004493600000000, -0.0163471300000000, -0.0002801600000000 ] - [ -0.0001875200000000, -0.0148167500000000, -0.0000269800000000 ] - [ 0.0002480300000000, -0.0156332200000000, 0.0005954600000000 ] - [ -0.0004493600000000, -0.0163471300000000, 0.0002801600000000 ] - [ -0.0001875200000000, -0.0148167500000000, 0.0000269800000000 ] - [ 0.0003469000000000, -0.0143401100000000, -0.0000844200000000 ] - [ 0.0002823700000000, -0.0143582200000000, -0.0000399100000000 ] - [ 0.0003809300000000, -0.0146495100000000, -0.0000121000000000 ] - [ 0.0003469000000000, -0.0143401100000000, 0.0000844200000000 ] - [ 0.0002823700000000, -0.0143582200000000, 0.0000399100000000 ] - [ 0.0003809300000000, -0.0146495100000000, 0.0000121000000000 ] - [ -0.0018669100000000, 0.0146954400000000, 0.0000000000000000 ] - [ 0.0032056600000000, 0.0168510000000000, 0.0000000000000000 ] - [ -0.0001486400000000, 0.0146431600000000, 0.0000000000000000 ] - [ -0.0006489500000000, 0.0144016300000000, 0.0000000000000000 ] - [ 0.0006134800000000, 0.0146265500000000, 0.0000000000000000 ] - [ -0.0001738400000000, 0.0147284100000000, 0.0000000000000000 ] - [ 0.0003416700000000, 0.0153020400000000, 0.0027932500000000 ] - [ 0.0004781500000000, 0.0144777900000000, 0.0001670000000000 ] - [ 0.0003240500000000, 0.0144987500000000, 0.0002076100000000 ] - [ 0.0003416700000000, 0.0153020400000000, -0.0027932500000000 ] - [ 0.0004781500000000, 0.0144777900000000, -0.0001670000000000 ] - [ 0.0003240500000000, 0.0144987500000000, -0.0002076100000000 ] - [ -0.0006153000000000, -0.0139100100000000, 0.0000000000000000 ] - [ -0.0004321700000000, -0.0141861500000000, 0.0000000000000000 ] - [ -0.0000852500000000, -0.0146073500000000, 0.0000000000000000 ] - [ -0.0005239600000000, -0.0141148000000000, 0.0000000000000000 ] - [ -0.0002359600000000, -0.0146482400000000, 0.0000000000000000 ] - [ -0.0001752900000000, -0.0146877500000000, 0.0000000000000000 ] - [ -0.0001523700000000, 0.0005659500000000, 0.0002978000000000 ] - [ -0.0007595900000000, 0.0011943300000000, -0.0003991100000000 ] - [ -0.0001336800000000, 0.0001502600000000, -0.0000523600000000 ] - [ 0.0000880600000000, 0.0005833700000000, 0.0005440700000000 ] - [ 0.0096807100000000, 0.0142740800000000, -0.0104444200000000 ] - [ -0.0001622300000000, 0.0000810500000000, -0.0001024200000000 ] - [ 0.0000880600000000, 0.0005833700000000, -0.0005440700000000 ] - [ 0.0096807100000000, 0.0142740800000000, 0.0104444200000000 ] - [ -0.0001622300000000, 0.0000810500000000, 0.0001024200000000 ] - [ -0.0001523700000000, 0.0005659500000000, -0.0002978000000000 ] - [ -0.0007595900000000, 0.0011943300000000, 0.0003991100000000 ] - [ -0.0001336800000000, 0.0001502600000000, 0.0000523600000000 ] - [ 0.0000944100000000, -0.0004149200000000, 0.0000628900000000 ] - [ 0.0002371200000000, -0.0002759300000000, 0.0004685300000000 ] - [ -0.0000180500000000, 0.0000295000000000, -0.0000095200000000 ] - [ -0.0003769800000000, -0.0002405300000000, -0.0003336300000000 ] - [ -0.0000777000000000, -0.0000227100000000, -0.0000043600000000 ] - [ 0.0000082400000000, -0.0000136900000000, -0.0000105700000000 ] - [ -0.0003769800000000, -0.0002405300000000, 0.0003336300000000 ] - [ -0.0000777000000000, -0.0000227100000000, 0.0000043600000000 ] - [ 0.0000082400000000, -0.0000136900000000, 0.0000105700000000 ] - [ 0.0000944100000000, -0.0004149200000000, -0.0000628900000000 ] - [ 0.0002371200000000, -0.0002759300000000, -0.0004685300000000 ] - [ -0.0000180500000000, 0.0000295000000000, 0.0000095200000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000570400000000, -0.0000017900000000, -0.0000008200000000 ] - [ -0.0000665800000000, 0.0000079100000000, -0.0000391300000000 ] - [ -0.0000699800000000, 0.0000130300000000, -0.0000046900000000 ] - [ 0.0001192500000000, 0.0000210900000000, 0.0001030800000000 ] - [ -0.0000371600000000, 0.0001825800000000, 0.0000933300000000 ] - [ -0.0000769600000000, -0.0000208700000000, -0.0000096600000000 ] - [ 0.0001192500000000, 0.0000210900000000, -0.0001030800000000 ] - [ -0.0000371600000000, 0.0001825800000000, -0.0000933300000000 ] - [ -0.0000769600000000, -0.0000208700000000, 0.0000096600000000 ] - [ 0.0000570400000000, -0.0000017900000000, 0.0000008200000000 ] - [ -0.0000665800000000, 0.0000079100000000, 0.0000391300000000 ] - [ -0.0000699800000000, 0.0000130300000000, 0.0000046900000000 ] - [ 0.0028294500000000, -0.0045493800000000, -0.0026046400000000 ] - [ 0.0003347400000000, -0.0004468000000000, 0.0003038600000000 ] - [ 0.0001346300000000, 0.0000012800000000, -0.0000116700000000 ] - [ -0.0004814000000000, -0.0003060700000000, -0.0000663900000000 ] - [ 0.0001157900000000, -0.0000586900000000, 0.0000398400000000 ] - [ 0.0001611000000000, -0.0000554100000000, -0.0000142900000000 ] - [ -0.0004814000000000, -0.0003060700000000, 0.0000663900000000 ] - [ 0.0001157900000000, -0.0000586900000000, -0.0000398400000000 ] - [ 0.0001611000000000, -0.0000554100000000, 0.0000142900000000 ] - [ 0.0028294500000000, -0.0045493800000000, 0.0026046400000000 ] - [ 0.0003347400000000, -0.0004468000000000, -0.0003038600000000 ] - [ 0.0001346300000000, 0.0000012800000000, 0.0000116700000000 ] - [ 0.0048428200000000, -0.0002378100000000, -0.0001991200000000 ] - [ 0.0043158700000000, -0.0002433500000000, -0.0003296500000000 ] - [ 0.0046300600000000, -0.0003696600000000, 0.0000117500000000 ] - [ 0.0048428200000000, -0.0002378100000000, 0.0001991200000000 ] - [ 0.0043158700000000, -0.0002433500000000, 0.0003296500000000 ] - [ 0.0046300600000000, -0.0003696600000000, -0.0000117500000000 ] - [ 0.0044435600000000, -0.0003644400000000, -0.0005456800000000 ] - [ 0.0046529800000000, 0.0002677200000000, -0.0000107000000000 ] - [ 0.0046844900000000, 0.0003331800000000, 0.0000429000000000 ] - [ 0.0044435600000000, -0.0003644400000000, 0.0005456800000000 ] - [ 0.0046529800000000, 0.0002677200000000, 0.0000107000000000 ] - [ 0.0046844900000000, 0.0003331800000000, -0.0000429000000000 ] - [ -0.0047227900000000, -0.0052385500000000, 0.0000000000000000 ] - [ -0.0047225400000000, -0.0003652600000000, 0.0000000000000000 ] - [ -0.0044737100000000, -0.0003312200000000, 0.0000000000000000 ] - [ -0.0047075700000000, -0.0004667300000000, 0.0000000000000000 ] - [ -0.0045819000000000, -0.0003743900000000, 0.0000000000000000 ] - [ -0.0045807000000000, -0.0003103400000000, 0.0000000000000000 ] - [ -0.0039306300000000, -0.0003646600000000, 0.0000000000000000 ] - [ -0.0037157500000000, -0.0009660500000000, 0.0000000000000000 ] - [ -0.0045875800000000, 0.0003034400000000, 0.0000000000000000 ] - [ -0.0047325500000000, 0.0003020000000000, 0.0000000000000000 ] - [ -0.0045599100000000, 0.0002464500000000, 0.0000000000000000 ] - [ -0.0045396300000000, 0.0002850700000000, 0.0000000000000000 ] - [ 0.0043843300000000, 0.0014859800000000, 0.0000000000000000 ] - [ 0.0051404600000000, -0.0002598400000000, 0.0000000000000000 ] - [ 0.0045645800000000, -0.0002906800000000, 0.0000000000000000 ] - [ 0.0044555700000000, -0.0001291100000000, 0.0000000000000000 ] - [ 0.0046931700000000, -0.0002340000000000, 0.0000000000000000 ] - [ 0.0046701800000000, -0.0003063200000000, 0.0000000000000000 ] - [ 0.0046287300000000, 0.0005721700000000, 0.0000000000000000 ] - [ 0.0045158900000000, 0.0009487200000000, 0.0000000000000000 ] - [ 0.0046163700000000, 0.0003587700000000, 0.0000000000000000 ] - [ 0.0046108500000000, 0.0004170800000000, 0.0000000000000000 ] - [ 0.0046275000000000, 0.0005329300000000, 0.0000000000000000 ] - [ 0.0046336300000000, 0.0003795400000000, 0.0000000000000000 ] - [ -0.0048918500000000, -0.0002139300000000, 0.0000657000000000 ] - [ -0.0042720400000000, 0.0000175800000000, 0.0004042800000000 ] - [ -0.0045636000000000, -0.0002592200000000, -0.0000193600000000 ] - [ -0.0048918500000000, -0.0002139300000000, -0.0000657000000000 ] - [ -0.0042720400000000, 0.0000175800000000, -0.0004042800000000 ] - [ -0.0045636000000000, -0.0002592200000000, 0.0000193600000000 ] - [ -0.0047170700000000, 0.0008127300000000, -0.0000346900000000 ] - [ -0.0045582000000000, 0.0004093900000000, 0.0000023900000000 ] - [ -0.0045848200000000, 0.0003493400000000, 0.0000016200000000 ] - [ -0.0047170700000000, 0.0008127300000000, 0.0000346900000000 ] - [ -0.0045582000000000, 0.0004093900000000, -0.0000023900000000 ] - [ -0.0045848200000000, 0.0003493400000000, -0.0000016200000000 ] - [ 0.0137363000000000, 0.0315910200000000, 0.0000000000000000 ] - [ 0.0001774900000000, -0.0143330800000000, 0.0000000000000000 ] - [ 0.0000586600000000, -0.0143515600000000, 0.0000000000000000 ] - [ 0.0007084000000000, -0.0136168800000000, 0.0000000000000000 ] - [ 0.0001466200000000, -0.0145848700000000, 0.0000000000000000 ] - [ 0.0000019900000000, -0.0146051800000000, 0.0000000000000000 ] - [ -0.0006387800000000, 0.0138882000000000, 0.0007243900000000 ] - [ -0.0002200800000000, 0.0147246600000000, 0.0001126200000000 ] - [ -0.0003412700000000, 0.0146728600000000, 0.0000149300000000 ] - [ -0.0006387800000000, 0.0138882000000000, -0.0007243900000000 ] - [ -0.0002200800000000, 0.0147246600000000, -0.0001126200000000 ] - [ -0.0003412700000000, 0.0146728600000000, -0.0000149300000000 ] - [ -0.0001654500000000, 0.0137564700000000, 0.0000000000000000 ] - [ 0.0011293600000000, 0.0137784100000000, 0.0000000000000000 ] - [ 0.0002513500000000, 0.0147261600000000, 0.0000000000000000 ] - [ 0.0001179800000000, 0.0147458600000000, 0.0000000000000000 ] - [ 0.0002947900000000, 0.0147657400000000, 0.0000000000000000 ] - [ 0.0002618700000000, 0.0147112100000000, 0.0000000000000000 ] - [ -0.0007697700000000, -0.0137861700000000, 0.0005955000000000 ] - [ -0.0000455200000000, -0.0130351200000000, 0.0002699900000000 ] - [ -0.0004559100000000, -0.0145488900000000, 0.0000273500000000 ] - [ -0.0007697700000000, -0.0137861700000000, -0.0005955000000000 ] - [ -0.0000455200000000, -0.0130351200000000, -0.0002699900000000 ] - [ -0.0004559100000000, -0.0145488900000000, -0.0000273500000000 ] - [ 0.0001386800000000, -0.0150492300000000, 0.0000855700000000 ] - [ 0.0002399900000000, -0.0150675200000000, 0.0000407500000000 ] - [ 0.0002619300000000, -0.0147148800000000, 0.0000123000000000 ] - [ 0.0001386800000000, -0.0150492300000000, -0.0000855700000000 ] - [ 0.0002399900000000, -0.0150675200000000, -0.0000407500000000 ] - [ 0.0002619300000000, -0.0147148800000000, -0.0000123000000000 ] - [ 0.0013502600000000, 0.0147196900000000, 0.0000000000000000 ] - [ -0.0036529700000000, 0.0125531500000000, 0.0000000000000000 ] - [ -0.0004942100000000, 0.0147221500000000, 0.0000000000000000 ] - [ 0.0001291000000000, 0.0150249000000000, 0.0000000000000000 ] - [ -0.0011035600000000, 0.0147591700000000, 0.0000000000000000 ] - [ -0.0004681900000000, 0.0146368500000000, 0.0000000000000000 ] - [ 0.0003033900000000, 0.0140495000000000, -0.0027864700000000 ] - [ 0.0000089900000000, 0.0149068400000000, -0.0001656700000000 ] - [ 0.0001974400000000, 0.0149266200000000, -0.0002077500000000 ] - [ 0.0003033900000000, 0.0140495000000000, 0.0027864700000000 ] - [ 0.0000089900000000, 0.0149068400000000, 0.0001656700000000 ] - [ 0.0001974400000000, 0.0149266200000000, 0.0002077500000000 ] - [ -0.0000263600000000, -0.0154576300000000, 0.0000000000000000 ] - [ -0.0000884800000000, -0.0152396100000000, 0.0000000000000000 ] - [ -0.0004020800000000, -0.0147796000000000, 0.0000000000000000 ] - [ -0.0001164500000000, -0.0152540400000000, 0.0000000000000000 ] - [ -0.0002856100000000, -0.0147773500000000, 0.0000000000000000 ] - [ -0.0003113200000000, -0.0146998700000000, 0.0000000000000000 ] - [ 0.0001528500000000, -0.0005665500000000, -0.0002988100000000 ] - [ 0.0008406100000000, -0.0011943700000000, 0.0004049700000000 ] - [ 0.0000500800000000, -0.0001493200000000, 0.0000517700000000 ] - [ -0.0000918600000000, -0.0005856100000000, -0.0005460300000000 ] - [ -0.0093144100000000, -0.0141129000000000, 0.0101472800000000 ] - [ 0.0000782000000000, -0.0000809900000000, 0.0001025700000000 ] - [ -0.0000918600000000, -0.0005856100000000, 0.0005460300000000 ] - [ -0.0093144100000000, -0.0141129000000000, -0.0101472800000000 ] - [ 0.0000782000000000, -0.0000809900000000, -0.0001025700000000 ] - [ 0.0001528500000000, -0.0005665500000000, 0.0002988100000000 ] - [ 0.0008406100000000, -0.0011943700000000, -0.0004049700000000 ] - [ 0.0000500800000000, -0.0001493200000000, -0.0000517700000000 ] - [ -0.0001787100000000, 0.0004176300000000, -0.0000651700000000 ] - [ -0.0002371600000000, 0.0002762000000000, -0.0004705400000000 ] - [ 0.0001030100000000, -0.0000298800000000, 0.0000097800000000 ] - [ 0.0002943100000000, 0.0002414100000000, 0.0003358100000000 ] - [ 0.0000776400000000, 0.0000225200000000, 0.0000044100000000 ] - [ 0.0000764800000000, 0.0000135400000000, 0.0000106800000000 ] - [ 0.0002943100000000, 0.0002414100000000, -0.0003358100000000 ] - [ 0.0000776400000000, 0.0000225200000000, -0.0000044100000000 ] - [ 0.0000764800000000, 0.0000135400000000, -0.0000106800000000 ] - [ -0.0001787100000000, 0.0004176300000000, 0.0000651700000000 ] - [ -0.0002371600000000, 0.0002762000000000, 0.0004705400000000 ] - [ 0.0001030100000000, -0.0000298800000000, -0.0000097800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000177400000000, -0.0000195700000000, -0.0000354200000000 ] - [ 0.0000308200000000, 0.0000083400000000, -0.0000815200000000 ] - [ -0.0000962200000000, 0.0000019800000000, -0.0000229500000000 ] - [ -0.0000147300000000, 0.0000188900000000, 0.0000344600000000 ] - [ 0.0001334700000000, -0.0000182300000000, 0.0000827100000000 ] - [ -0.0000797800000000, -0.0000028200000000, 0.0000217900000000 ] - [ 0.0000145300000000, -0.0000191000000000, 0.0000351000000000 ] - [ 0.0000426000000000, 0.0000180800000000, 0.0000836200000000 ] - [ -0.0000967200000000, 0.0000028000000000, 0.0000220600000000 ] - [ -0.0000176100000000, 0.0000196900000000, -0.0000354100000000 ] - [ 0.0001450000000000, -0.0000084400000000, -0.0000814800000000 ] - [ -0.0000804700000000, -0.0000020100000000, -0.0000230200000000 ] - [ -0.0030068600000000, 0.0024630500000000, 0.0037492000000000 ] - [ -0.0003244800000000, -0.0002670000000000, 0.0003808500000000 ] - [ 0.0001079500000000, 0.0000354100000000, 0.0000150100000000 ] - [ -0.0003444300000000, -0.0001456900000000, -0.0004665600000000 ] - [ 0.0003573100000000, 0.0005400200000000, -0.0002991600000000 ] - [ 0.0000759400000000, -0.0000430400000000, -0.0000135600000000 ] - [ 0.0001684900000000, 0.0001449100000000, -0.0004676400000000 ] - [ -0.0003563300000000, -0.0005412400000000, -0.0002985600000000 ] - [ 0.0001010500000000, 0.0000426000000000, -0.0000134600000000 ] - [ 0.0027480200000000, -0.0023955200000000, 0.0036987200000000 ] - [ 0.0003259800000000, 0.0002649700000000, 0.0003783600000000 ] - [ 0.0000687300000000, -0.0000354200000000, 0.0000145300000000 ] - [ 0.0047935800000000, -0.0001571600000000, -0.0000731600000000 ] - [ 0.0044020200000000, 0.0001938200000000, -0.0001144200000000 ] - [ 0.0045952800000000, -0.0003306600000000, -0.0000001200000000 ] - [ 0.0044309000000000, -0.0004750000000000, -0.0000737800000000 ] - [ 0.0048214300000000, -0.0008363600000000, -0.0001146800000000 ] - [ 0.0046270100000000, -0.0003123300000000, -0.0000002200000000 ] - [ 0.0046361600000000, -0.0000038300000000, 0.0011157200000000 ] - [ 0.0042192700000000, 0.0003836000000000, 0.0000702800000000 ] - [ 0.0047079900000000, 0.0003417300000000, 0.0000098400000000 ] - [ 0.0045748300000000, 0.0006077400000000, 0.0010025400000000 ] - [ 0.0050039900000000, 0.0002482000000000, 0.0000697700000000 ] - [ 0.0045166800000000, 0.0003024800000000, 0.0000094300000000 ] - [ -0.0046096900000000, -0.0003072200000000, 0.0009390400000000 ] - [ -0.0046122600000000, -0.0003220700000000, 0.0000505700000000 ] - [ -0.0046120800000000, -0.0003162100000000, 0.0000186600000000 ] - [ -0.0046114300000000, -0.0003208400000000, -0.0002370200000000 ] - [ -0.0046126100000000, -0.0003220300000000, -0.0000701300000000 ] - [ -0.0046116900000000, -0.0003162600000000, -0.0000165800000000 ] - [ -0.0046104300000000, 0.0003232600000000, 0.0010545900000000 ] - [ -0.0046199000000000, 0.0003177800000000, 0.0010520400000000 ] - [ -0.0046112400000000, 0.0003212700000000, -0.0000281600000000 ] - [ -0.0046123300000000, 0.0003220400000000, -0.0002231900000000 ] - [ -0.0046116900000000, 0.0003156900000000, -0.0008604500000000 ] - [ -0.0046116500000000, 0.0003212500000000, 0.0000312500000000 ] - [ 0.0046106600000000, -0.0003185400000000, 0.0007701100000000 ] - [ 0.0046130900000000, -0.0003161000000000, -0.0000194900000000 ] - [ 0.0046122000000000, -0.0003217100000000, 0.0000422200000000 ] - [ 0.0046102700000000, -0.0003206800000000, -0.0009243300000000 ] - [ 0.0046120600000000, -0.0003161700000000, 0.0000008300000000 ] - [ 0.0046124600000000, -0.0003221800000000, -0.0000501300000000 ] - [ 0.0046116000000000, 0.0003162500000000, 0.0000749700000000 ] - [ 0.0046121600000000, 0.0003232500000000, 0.0000049700000000 ] - [ 0.0046113600000000, 0.0003214700000000, 0.0000189900000000 ] - [ 0.0046119000000000, 0.0003158100000000, -0.0000884000000000 ] - [ 0.0046118900000000, 0.0003221800000000, -0.0000703500000000 ] - [ 0.0046112800000000, 0.0003213500000000, -0.0000198500000000 ] - [ -0.0042715200000000, -0.0004030800000000, 0.0000273700000000 ] - [ -0.0051541700000000, -0.0006934800000000, 0.0000334700000000 ] - [ -0.0045803100000000, -0.0002988800000000, 0.0000009300000000 ] - [ -0.0049527400000000, -0.0002406400000000, 0.0000260100000000 ] - [ -0.0040697300000000, 0.0000620800000000, 0.0000309500000000 ] - [ -0.0046417200000000, -0.0003437100000000, 0.0000006900000000 ] - [ -0.0045669900000000, -0.0000292200000000, 0.0000907900000000 ] - [ -0.0045990400000000, 0.0003250100000000, -0.0000005000000000 ] - [ -0.0045895900000000, 0.0002989600000000, -0.0000028200000000 ] - [ -0.0046562200000000, 0.0006723500000000, 0.0000900600000000 ] - [ -0.0046254900000000, 0.0003190900000000, -0.0000006300000000 ] - [ -0.0046337900000000, 0.0003330100000000, -0.0000025100000000 ] - [ 0.0000922400000000, -0.0150956200000000, -0.0480735200000000 ] - [ 0.0002410500000000, -0.0146930400000000, -0.0002032300000000 ] - [ 0.0002619400000000, -0.0147128700000000, -0.0002043900000000 ] - [ 0.0003231100000000, -0.0146809100000000, 0.0016905100000000 ] - [ 0.0002432600000000, -0.0146914000000000, 0.0006578700000000 ] - [ 0.0002589100000000, -0.0147131100000000, 0.0006578300000000 ] - [ -0.0006626500000000, 0.0139585900000000, 0.0003027100000000 ] - [ -0.0002163400000000, 0.0146001700000000, -0.0000217100000000 ] - [ -0.0002841600000000, 0.0146780700000000, -0.0000027900000000 ] - [ 0.0000194700000000, 0.0154036800000000, 0.0003037900000000 ] - [ -0.0003048900000000, 0.0148257000000000, -0.0000212800000000 ] - [ -0.0002017000000000, 0.0147084000000000, -0.0000022100000000 ] - [ 0.0002433400000000, 0.0146951800000000, -0.0004050100000000 ] - [ 0.0002595100000000, 0.0147136600000000, -0.0004048600000000 ] - [ 0.0003203000000000, 0.0146836400000000, -0.0000286000000000 ] - [ 0.0002426100000000, 0.0146933700000000, 0.0002429000000000 ] - [ 0.0002604600000000, 0.0147123900000000, 0.0002428000000000 ] - [ 0.0003208300000000, 0.0146824500000000, 0.0000236300000000 ] - [ -0.0014677000000000, -0.0141151400000000, 0.0008970700000000 ] - [ 0.0025905700000000, -0.0144190200000000, 0.0031354500000000 ] - [ -0.0003405600000000, -0.0146554100000000, 0.0000894900000000 ] - [ 0.0009409600000000, -0.0153061800000000, 0.0008956100000000 ] - [ -0.0030525100000000, -0.0149691700000000, 0.0031223900000000 ] - [ -0.0003016900000000, -0.0147097300000000, 0.0000900700000000 ] - [ 0.0000571000000000, -0.0146531000000000, -0.0000349600000000 ] - [ 0.0004072900000000, -0.0146274900000000, -0.0000349100000000 ] - [ 0.0003315100000000, -0.0146703700000000, 0.0000005100000000 ] - [ 0.0004274400000000, -0.0147337400000000, -0.0000332900000000 ] - [ 0.0001140400000000, -0.0147981500000000, -0.0000338100000000 ] - [ 0.0003100600000000, -0.0146954300000000, 0.0000009900000000 ] - [ -0.0002557500000000, 0.0147110000000000, -0.0009475100000000 ] - [ -0.0002488400000000, 0.0146867900000000, -0.0016130000000000 ] - [ -0.0003212000000000, 0.0146831100000000, -0.0000020300000000 ] - [ -0.0002610000000000, 0.0147130100000000, 0.0004945200000000 ] - [ -0.0002434800000000, 0.0146925200000000, 0.0019069100000000 ] - [ -0.0003215700000000, 0.0146827200000000, -0.0000710500000000 ] - [ 0.0004712400000000, 0.0174863700000000, 0.0028217500000000 ] - [ 0.0004560400000000, 0.0149022100000000, -0.0000843600000000 ] - [ 0.0001509100000000, 0.0148799200000000, -0.0000846000000000 ] - [ 0.0001692900000000, 0.0119061900000000, 0.0028091900000000 ] - [ 0.0000284000000000, 0.0144866800000000, -0.0000830200000000 ] - [ 0.0003691700000000, 0.0145481200000000, -0.0000826000000000 ] - [ -0.0003208100000000, -0.0146836200000000, -0.0003747400000000 ] - [ -0.0002609800000000, -0.0147137300000000, -0.0000512200000000 ] - [ -0.0002427100000000, -0.0146929700000000, -0.0000560600000000 ] - [ -0.0003212600000000, -0.0146828800000000, 0.0006412500000000 ] - [ -0.0002600400000000, -0.0147134100000000, 0.0000558800000000 ] - [ -0.0002425000000000, -0.0146939200000000, 0.0000579100000000 ] - [ 0.0002807300000000, -0.0006498900000000, -0.0006666600000000 ] - [ 0.0000908100000000, -0.0000779500000000, -0.0022781700000000 ] - [ -0.0000985700000000, 0.0001576200000000, -0.0000754600000000 ] - [ -0.0002981800000000, 0.0003513800000000, 0.0005004500000000 ] - [ -0.0079809800000000, -0.0088090200000000, 0.0131489000000000 ] - [ -0.0000015700000000, -0.0000945300000000, 0.0000331700000000 ] - [ 0.0002963900000000, -0.0003544600000000, 0.0005060200000000 ] - [ 0.0083866300000000, 0.0091562700000000, 0.0133942900000000 ] - [ -0.0000828700000000, 0.0000938900000000, 0.0000338300000000 ] - [ -0.0002814000000000, 0.0006474100000000, -0.0006654800000000 ] - [ -0.0000087100000000, 0.0000759400000000, -0.0022755200000000 ] - [ 0.0000140900000000, -0.0001582000000000, -0.0000761700000000 ] - [ 0.0001009700000000, 0.0000785400000000, 0.0003773600000000 ] - [ 0.0000706800000000, -0.0000608400000000, 0.0001708100000000 ] - [ 0.0000397200000000, 0.0000047400000000, 0.0000464200000000 ] - [ -0.0002476000000000, -0.0001246500000000, -0.0004615200000000 ] - [ -0.0000421000000000, 0.0000134100000000, -0.0001267800000000 ] - [ 0.0000440300000000, -0.0000025200000000, -0.0000471500000000 ] - [ 0.0001646500000000, 0.0001245200000000, -0.0004620100000000 ] - [ 0.0000424100000000, -0.0000132700000000, -0.0001260600000000 ] - [ 0.0000402600000000, 0.0000028500000000, -0.0000474600000000 ] - [ -0.0001841400000000, -0.0000787100000000, 0.0003735100000000 ] - [ -0.0000706200000000, 0.0000606800000000, 0.0001693000000000 ] - [ 0.0000449100000000, -0.0000047200000000, 0.0000452400000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001571300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001584800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000178800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002734200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001538000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000228400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002006800000000, -0.0000992500000000, -0.0000001300000000 ] - [ 0.0001542400000000, 0.0000140800000000, -0.0000181400000000 ] - [ -0.0000222700000000, 0.0000140700000000, 0.0000182900000000 ] - [ -0.0002006800000000, 0.0000992500000000, 0.0000001300000000 ] - [ 0.0001542400000000, -0.0000140800000000, 0.0000181400000000 ] - [ -0.0000222700000000, -0.0000140700000000, -0.0000182900000000 ] - [ 0.0005431300000000, 0.0004232900000000, -0.0005836900000000 ] - [ 0.0001462800000000, -0.0000128000000000, -0.0000000300000000 ] - [ 0.0007168200000000, 0.0004292100000000, 0.0005816900000000 ] - [ 0.0005431300000000, -0.0004232900000000, 0.0005836900000000 ] - [ 0.0001462800000000, 0.0000128000000000, 0.0000000300000000 ] - [ 0.0007168200000000, -0.0004292100000000, -0.0005816900000000 ] - [ 0.0071588400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001345000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0071777500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001672100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001612700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000064400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0046489200000000, -0.0009067500000000, 0.0003235000000000 ] - [ 0.0046745800000000, -0.0003519500000000, -0.0000111700000000 ] - [ 0.0046169400000000, -0.0002749100000000, 0.0000079100000000 ] - [ 0.0044018000000000, -0.0001704600000000, -0.0001648500000000 ] - [ 0.0046694200000000, -0.0003661900000000, 0.0000110300000000 ] - [ 0.0047401200000000, -0.0002751700000000, -0.0000389100000000 ] - [ 0.0051801800000000, 0.0001971000000000, 0.0000271800000000 ] - [ 0.0047205300000000, 0.0003488800000000, -0.0000136800000000 ] - [ 0.0048710900000000, 0.0032844000000000, 0.0022096000000000 ] - [ 0.0045410900000000, 0.0003160600000000, 0.0000511800000000 ] - [ 0.0047125400000000, 0.0003645400000000, 0.0000138800000000 ] - [ 0.0047357500000000, 0.0001981500000000, -0.0008544900000000 ] - [ -0.0044824300000000, -0.0003658400000000, -0.0000381000000000 ] - [ -0.0045553600000000, -0.0002767300000000, 0.0000113400000000 ] - [ -0.0048212400000000, -0.0004623700000000, -0.0001653400000000 ] - [ -0.0046047500000000, -0.0003672900000000, 0.0000076200000000 ] - [ -0.0045495700000000, -0.0002909500000000, -0.0000111000000000 ] - [ -0.0045775400000000, 0.0002765900000000, 0.0003250900000000 ] - [ -0.0044831500000000, 0.0004426100000000, -0.0008540200000000 ] - [ -0.0045106200000000, 0.0002668000000000, 0.0000137100000000 ] - [ -0.0046821500000000, 0.0003254700000000, 0.0000506900000000 ] - [ -0.0043520800000000, -0.0026670700000000, 0.0022238000000000 ] - [ -0.0045021800000000, 0.0002823400000000, -0.0000135100000000 ] - [ -0.0040400000000000, 0.0004425900000000, 0.0000299500000000 ] - [ 0.0045410900000000, -0.0003160600000000, -0.0000511800000000 ] - [ 0.0047125400000000, -0.0003645400000000, -0.0000138800000000 ] - [ 0.0047357500000000, -0.0001981500000000, 0.0008544900000000 ] - [ 0.0051801800000000, -0.0001971000000000, -0.0000271800000000 ] - [ 0.0047205300000000, -0.0003488800000000, 0.0000136800000000 ] - [ 0.0048710900000000, -0.0032844000000000, -0.0022096000000000 ] - [ 0.0044018000000000, 0.0001704600000000, 0.0001648500000000 ] - [ 0.0046694200000000, 0.0003661900000000, -0.0000110300000000 ] - [ 0.0047401200000000, 0.0002751700000000, 0.0000389100000000 ] - [ 0.0046489200000000, 0.0009067500000000, -0.0003235000000000 ] - [ 0.0046745800000000, 0.0003519500000000, 0.0000111700000000 ] - [ 0.0046169400000000, 0.0002749100000000, -0.0000079100000000 ] - [ -0.0043520800000000, 0.0026670700000000, -0.0022238000000000 ] - [ -0.0045021800000000, -0.0002823400000000, 0.0000135100000000 ] - [ -0.0040400000000000, -0.0004425900000000, -0.0000299500000000 ] - [ -0.0044831500000000, -0.0004426100000000, 0.0008540200000000 ] - [ -0.0045106200000000, -0.0002668000000000, -0.0000137100000000 ] - [ -0.0046821500000000, -0.0003254700000000, -0.0000506900000000 ] - [ -0.0046047500000000, 0.0003672900000000, -0.0000076200000000 ] - [ -0.0045495700000000, 0.0002909500000000, 0.0000111000000000 ] - [ -0.0045775400000000, -0.0002765900000000, -0.0003250900000000 ] - [ -0.0044824300000000, 0.0003658400000000, 0.0000381000000000 ] - [ -0.0045553600000000, 0.0002767300000000, -0.0000113400000000 ] - [ -0.0048212400000000, 0.0004623700000000, 0.0001653400000000 ] - [ 0.0001265800000000, -0.0148342500000000, 0.0002794100000000 ] - [ -0.0000382900000000, -0.0147851100000000, -0.0000552100000000 ] - [ 0.0013501300000000, -0.0155122700000000, 0.0000521900000000 ] - [ -0.0003585500000000, -0.0145928400000000, -0.0002979700000000 ] - [ -0.0000200100000000, -0.0148128500000000, 0.0000398700000000 ] - [ 0.0130102900000000, -0.0053317000000000, -0.0080614400000000 ] - [ -0.0004143100000000, 0.0149196500000000, -0.0000706200000000 ] - [ -0.0004379200000000, 0.0146521800000000, 0.0000025700000000 ] - [ 0.0000005700000000, 0.0148306800000000, -0.0001424400000000 ] - [ -0.0004297200000000, 0.0146050100000000, 0.0000423400000000 ] - [ -0.0003863800000000, 0.0146787900000000, -0.0000017400000000 ] - [ -0.0003003300000000, 0.0143563400000000, 0.0002066000000000 ] - [ 0.0001863800000000, 0.0150279200000000, 0.0002061500000000 ] - [ 0.0001343700000000, 0.0147468300000000, -0.0000016600000000 ] - [ 0.0002131900000000, 0.0147607100000000, 0.0000424400000000 ] - [ 0.0004855300000000, 0.0145574600000000, -0.0001426400000000 ] - [ 0.0000839300000000, 0.0147730800000000, 0.0000025600000000 ] - [ 0.0002273000000000, 0.0144443900000000, -0.0000710000000000 ] - [ 0.0126055100000000, -0.0243254200000000, -0.0083036100000000 ] - [ -0.0005065200000000, -0.0145733800000000, 0.0000409100000000 ] - [ -0.0009962400000000, -0.0147726500000000, -0.0002967800000000 ] - [ 0.0008240700000000, -0.0139119600000000, 0.0000470400000000 ] - [ -0.0005238400000000, -0.0146011300000000, -0.0000570600000000 ] - [ -0.0005165900000000, -0.0145276800000000, 0.0002825400000000 ] - [ 0.0004855300000000, -0.0145574600000000, 0.0001426400000000 ] - [ 0.0000839300000000, -0.0147730800000000, -0.0000025600000000 ] - [ 0.0002273000000000, -0.0144443900000000, 0.0000710000000000 ] - [ 0.0001863800000000, -0.0150279200000000, -0.0002061500000000 ] - [ 0.0001343700000000, -0.0147468300000000, 0.0000016600000000 ] - [ 0.0002131900000000, -0.0147607100000000, -0.0000424400000000 ] - [ 0.0008240700000000, 0.0139119600000000, -0.0000470400000000 ] - [ -0.0005238400000000, 0.0146011300000000, 0.0000570600000000 ] - [ -0.0005165900000000, 0.0145276800000000, -0.0002825400000000 ] - [ 0.0126055100000000, 0.0243254200000000, 0.0083036100000000 ] - [ -0.0005065200000000, 0.0145733800000000, -0.0000409100000000 ] - [ -0.0009962400000000, 0.0147726500000000, 0.0002967800000000 ] - [ -0.0003585500000000, 0.0145928400000000, 0.0002979700000000 ] - [ -0.0000200100000000, 0.0148128500000000, -0.0000398700000000 ] - [ 0.0130102900000000, 0.0053317000000000, 0.0080614400000000 ] - [ 0.0001265800000000, 0.0148342500000000, -0.0002794100000000 ] - [ -0.0000382900000000, 0.0147851100000000, 0.0000552100000000 ] - [ 0.0013501300000000, 0.0155122700000000, -0.0000521900000000 ] - [ -0.0004297200000000, -0.0146050100000000, -0.0000423400000000 ] - [ -0.0003863800000000, -0.0146787900000000, 0.0000017400000000 ] - [ -0.0003003300000000, -0.0143563400000000, -0.0002066000000000 ] - [ -0.0004143100000000, -0.0149196500000000, 0.0000706200000000 ] - [ -0.0004379200000000, -0.0146521800000000, -0.0000025700000000 ] - [ 0.0000005700000000, -0.0148306800000000, 0.0001424400000000 ] - [ -0.0613105300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003697400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002842600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001341400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000905700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000072200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0058082000000000, 0.0047980700000000, 0.0000208100000000 ] - [ 0.0002096600000000, -0.0002496600000000, -0.0001485600000000 ] - [ 0.0001250600000000, -0.0002480800000000, 0.0001457800000000 ] - [ -0.0058082000000000, -0.0047980700000000, -0.0000208100000000 ] - [ 0.0002096600000000, 0.0002496600000000, 0.0001485600000000 ] - [ 0.0001250600000000, 0.0002480800000000, -0.0001457800000000 ] - [ 0.0000235900000000, -0.0001113300000000, 0.0001425300000000 ] - [ 0.0000994100000000, 0.0000235900000000, -0.0000000300000000 ] - [ 0.0001074300000000, -0.0001119100000000, -0.0001428700000000 ] - [ 0.0000235900000000, 0.0001113300000000, -0.0001425300000000 ] - [ 0.0000994100000000, -0.0000235900000000, 0.0000000300000000 ] - [ 0.0001074300000000, 0.0001119100000000, 0.0001428700000000 ] - [ -0.0002018800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001241100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001193800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003106600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000715600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003959000000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000632500000000, 0.0000000000000000 ] - [ 0.0000880800000000, -0.0000115400000000, -0.0000286100000000 ] - [ -0.0000880800000000, -0.0000115400000000, 0.0000286100000000 ] - [ 0.0000000000000000, -0.0000228600000000, 0.0000000000000000 ] - [ 0.0000882300000000, 0.0000010900000000, 0.0000064000000000 ] - [ -0.0000882300000000, 0.0000010900000000, -0.0000064000000000 ] - [ -0.0000146900000000, 0.0000146300000000, -0.0000001900000000 ] - [ 0.0000813100000000, -0.0000054600000000, 0.0000112100000000 ] - [ -0.0000950400000000, -0.0000054500000000, -0.0000110100000000 ] - [ 0.0000146900000000, 0.0000146300000000, 0.0000001900000000 ] - [ 0.0000950400000000, -0.0000054500000000, 0.0000110100000000 ] - [ -0.0000813100000000, -0.0000054600000000, -0.0000112100000000 ] - [ -0.0006351600000000, -0.0010146000000000, 0.0004656200000000 ] - [ 0.0000024900000000, -0.0000332900000000, -0.0000000900000000 ] - [ -0.0004595700000000, -0.0010108300000000, -0.0004665600000000 ] - [ 0.0004595700000000, -0.0010108300000000, 0.0004665600000000 ] - [ -0.0000024900000000, -0.0000332900000000, 0.0000000900000000 ] - [ 0.0006351600000000, -0.0010146000000000, -0.0004656200000000 ] - [ -0.0000990700000000, -0.0015430800000000, -0.0012184200000000 ] - [ 0.0000000000000000, -0.0000252500000000, 0.0000000000000000 ] - [ 0.0000990700000000, -0.0015430800000000, 0.0012184200000000 ] - [ -0.0000871300000000, -0.0002330000000000, 0.0002003700000000 ] - [ 0.0000000000000000, -0.0000160400000000, 0.0000000000000000 ] - [ 0.0000871300000000, -0.0002330000000000, -0.0002003700000000 ] - [ 0.0045322400000000, 0.0005457700000000, 0.0000480700000000 ] - [ 0.0045948100000000, -0.0003144300000000, -0.0000117800000000 ] - [ 0.0046911200000000, -0.0003111600000000, 0.0000215400000000 ] - [ 0.0046063800000000, -0.0002727600000000, -0.0000750700000000 ] - [ 0.0046153200000000, -0.0003151700000000, 0.0000119500000000 ] - [ 0.0046716500000000, -0.0002216900000000, -0.0000545600000000 ] - [ 0.0039885800000000, 0.0005226900000000, -0.0002507300000000 ] - [ 0.0045938900000000, 0.0003434200000000, -0.0000000300000000 ] - [ 0.0076076100000000, 0.0032157000000000, 0.0028133200000000 ] - [ 0.0046232200000000, 0.0003172100000000, 0.0000992800000000 ] - [ 0.0046514900000000, 0.0003369800000000, 0.0000031300000000 ] - [ 0.0043260400000000, 0.0006115600000000, -0.0007265800000000 ] - [ -0.0046716500000000, -0.0002216900000000, 0.0000545600000000 ] - [ -0.0046153200000000, -0.0003151700000000, -0.0000119500000000 ] - [ -0.0046063800000000, -0.0002727600000000, 0.0000750700000000 ] - [ -0.0046911200000000, -0.0003111600000000, -0.0000215400000000 ] - [ -0.0045948100000000, -0.0003144300000000, 0.0000117800000000 ] - [ -0.0045322400000000, 0.0005457700000000, -0.0000480700000000 ] - [ -0.0043260400000000, 0.0006115600000000, 0.0007265800000000 ] - [ -0.0046514900000000, 0.0003369800000000, -0.0000031300000000 ] - [ -0.0046232200000000, 0.0003172100000000, -0.0000992800000000 ] - [ -0.0076076100000000, 0.0032157000000000, -0.0028133200000000 ] - [ -0.0045938900000000, 0.0003434200000000, 0.0000000300000000 ] - [ -0.0039885800000000, 0.0005226900000000, 0.0002507300000000 ] - [ 0.0046003000000000, -0.0003240300000000, 0.0000988300000000 ] - [ 0.0045719600000000, -0.0002942400000000, 0.0000029500000000 ] - [ 0.0048952900000000, -0.0000276700000000, -0.0007241000000000 ] - [ 0.0052314700000000, -0.0001161100000000, -0.0002488900000000 ] - [ 0.0046291700000000, -0.0002871500000000, -0.0000000100000000 ] - [ 0.0015700000000000, 0.0026181700000000, 0.0028570800000000 ] - [ 0.0046168100000000, 0.0003602700000000, -0.0000752400000000 ] - [ 0.0046093000000000, 0.0003278500000000, 0.0000119500000000 ] - [ 0.0045516600000000, 0.0004196100000000, -0.0000537600000000 ] - [ 0.0046938000000000, 0.0011762200000000, 0.0000510800000000 ] - [ 0.0046296100000000, 0.0003287100000000, -0.0000117500000000 ] - [ 0.0045311000000000, 0.0003313600000000, 0.0000212800000000 ] - [ -0.0015700000000000, 0.0026181700000000, -0.0028570800000000 ] - [ -0.0046291700000000, -0.0002871500000000, 0.0000000100000000 ] - [ -0.0052314700000000, -0.0001161100000000, 0.0002488900000000 ] - [ -0.0048952900000000, -0.0000276700000000, 0.0007241000000000 ] - [ -0.0045719600000000, -0.0002942400000000, -0.0000029500000000 ] - [ -0.0046003000000000, -0.0003240300000000, -0.0000988300000000 ] - [ -0.0045311000000000, 0.0003313600000000, -0.0000212800000000 ] - [ -0.0046296100000000, 0.0003287100000000, 0.0000117500000000 ] - [ -0.0046938000000000, 0.0011762200000000, -0.0000510800000000 ] - [ -0.0045516600000000, 0.0004196100000000, 0.0000537600000000 ] - [ -0.0046093000000000, 0.0003278500000000, -0.0000119500000000 ] - [ -0.0046168100000000, 0.0003602700000000, 0.0000752400000000 ] - [ 0.0009773500000000, -0.0141161800000000, -0.0006491800000000 ] - [ 0.0001912900000000, -0.0145453700000000, 0.0001585400000000 ] - [ -0.0005166100000000, -0.0135170100000000, -0.0000740500000000 ] - [ 0.0000085500000000, -0.0140984700000000, 0.0003529600000000 ] - [ 0.0001420800000000, -0.0146123100000000, -0.0000943900000000 ] - [ 0.0096320300000000, -0.0006048200000000, -0.0088346500000000 ] - [ -0.0003546200000000, 0.0144051200000000, 0.0000612600000000 ] - [ -0.0002234300000000, 0.0147418700000000, -0.0000049000000000 ] - [ -0.0004413800000000, 0.0142777400000000, -0.0000784500000000 ] - [ -0.0003203100000000, 0.0146603500000000, -0.0000135800000000 ] - [ -0.0002821200000000, 0.0146990100000000, 0.0000031100000000 ] - [ -0.0002683400000000, 0.0144507900000000, 0.0001253200000000 ] - [ 0.0002683400000000, 0.0144507900000000, -0.0001253200000000 ] - [ 0.0002821200000000, 0.0146990100000000, -0.0000031100000000 ] - [ 0.0003203100000000, 0.0146603500000000, 0.0000135800000000 ] - [ 0.0004413800000000, 0.0142777400000000, 0.0000784500000000 ] - [ 0.0002234300000000, 0.0147418700000000, 0.0000049000000000 ] - [ 0.0003546200000000, 0.0144051200000000, -0.0000612600000000 ] - [ -0.0096320300000000, -0.0006048200000000, 0.0088346500000000 ] - [ -0.0001420800000000, -0.0146123100000000, 0.0000943900000000 ] - [ -0.0000085500000000, -0.0140984700000000, -0.0003529600000000 ] - [ 0.0005166100000000, -0.0135170100000000, 0.0000740500000000 ] - [ -0.0001912900000000, -0.0145453700000000, -0.0001585400000000 ] - [ -0.0009773500000000, -0.0141161800000000, 0.0006491800000000 ] - [ 0.0000443100000000, -0.0151114500000000, 0.0000789400000000 ] - [ 0.0002985200000000, -0.0146836600000000, 0.0000049300000000 ] - [ 0.0002869500000000, -0.0149589400000000, -0.0000605500000000 ] - [ 0.0002191500000000, -0.0149333700000000, -0.0001240200000000 ] - [ 0.0002388700000000, -0.0147268100000000, -0.0000030200000000 ] - [ 0.0003207700000000, -0.0147067800000000, 0.0000132000000000 ] - [ -0.0010401600000000, 0.0159041300000000, 0.0000801800000000 ] - [ -0.0002942500000000, 0.0148428000000000, -0.0001571200000000 ] - [ 0.0003346800000000, 0.0152472600000000, 0.0006483600000000 ] - [ 0.0093745600000000, 0.0289899600000000, 0.0091295100000000 ] - [ -0.0003450100000000, 0.0147731000000000, 0.0000937000000000 ] - [ -0.0006290500000000, 0.0152654800000000, -0.0003530600000000 ] - [ 0.0006290500000000, 0.0152654800000000, 0.0003530600000000 ] - [ 0.0003450100000000, 0.0147731000000000, -0.0000937000000000 ] - [ -0.0093745600000000, 0.0289899600000000, -0.0091295100000000 ] - [ -0.0003346800000000, 0.0152472600000000, -0.0006483600000000 ] - [ 0.0002942500000000, 0.0148428000000000, 0.0001571200000000 ] - [ 0.0010401600000000, 0.0159041300000000, -0.0000801800000000 ] - [ -0.0003207700000000, -0.0147067800000000, -0.0000132000000000 ] - [ -0.0002388700000000, -0.0147268100000000, 0.0000030200000000 ] - [ -0.0002191500000000, -0.0149333700000000, 0.0001240200000000 ] - [ -0.0002869500000000, -0.0149589400000000, 0.0000605500000000 ] - [ -0.0002985200000000, -0.0146836600000000, -0.0000049300000000 ] - [ -0.0000443100000000, -0.0151114500000000, -0.0000789400000000 ] - [ 0.0000000000000000, -0.0600305900000000, 0.0000000000000000 ] - [ 0.0000431300000000, 0.0001763900000000, -0.0002292100000000 ] - [ -0.0000431300000000, 0.0001763900000000, 0.0002292100000000 ] - [ 0.0000000000000000, -0.0001637700000000, 0.0000000000000000 ] - [ 0.0000419700000000, -0.0008659500000000, 0.0006110500000000 ] - [ -0.0000419700000000, -0.0008659500000000, -0.0006110500000000 ] - [ 0.0047980000000000, -0.0058238100000000, 0.0000212100000000 ] - [ -0.0002062100000000, -0.0002178800000000, -0.0001253200000000 ] - [ -0.0002915000000000, -0.0002166800000000, 0.0001228700000000 ] - [ -0.0047980000000000, -0.0058238100000000, -0.0000212100000000 ] - [ 0.0002915000000000, -0.0002166800000000, -0.0001228700000000 ] - [ 0.0002062100000000, -0.0002178800000000, 0.0001253200000000 ] - [ 0.0000696500000000, 0.0000769000000000, -0.0001072400000000 ] - [ -0.0000237500000000, -0.0000088400000000, -0.0000000200000000 ] - [ 0.0001538900000000, 0.0000755500000000, 0.0001066400000000 ] - [ -0.0001538900000000, 0.0000755500000000, -0.0001066400000000 ] - [ 0.0000237500000000, -0.0000088400000000, 0.0000000200000000 ] - [ -0.0000696500000000, 0.0000769000000000, 0.0001072400000000 ] - [ -0.0000410500000000, 0.0001240300000000, 0.0000967000000000 ] - [ 0.0000000000000000, -0.0000340800000000, 0.0000000000000000 ] - [ 0.0000410500000000, 0.0001240300000000, -0.0000967000000000 ] - [ -0.0000436500000000, 0.0000162300000000, 0.0001091500000000 ] - [ 0.0000000000000000, 0.0000134200000000, 0.0000000000000000 ] - [ 0.0000436500000000, 0.0000162300000000, -0.0001091500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001695000000000 ] - [ 0.0000882900000000, 0.0000268900000000, -0.0001289600000000 ] - [ -0.0000882900000000, -0.0000268900000000, -0.0001289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000891800000000 ] - [ 0.0000883300000000, -0.0000150100000000, 0.0000351700000000 ] - [ -0.0000883300000000, 0.0000150100000000, 0.0000351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000365900000000 ] - [ 0.0000454100000000, 0.0000057300000000, 0.0000454000000000 ] - [ -0.0000454100000000, -0.0000057300000000, 0.0000454000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000369700000000 ] - [ 0.0001312400000000, 0.0000057400000000, 0.0000454600000000 ] - [ -0.0001312400000000, -0.0000057400000000, 0.0000454600000000 ] - [ -0.0008138600000000, -0.0006369700000000, 0.0007007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000348000000000 ] - [ 0.0008138600000000, 0.0006369700000000, 0.0007007300000000 ] - [ 0.0006385900000000, -0.0006307200000000, 0.0007047600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000350600000000 ] - [ -0.0006385900000000, 0.0006307200000000, 0.0007047600000000 ] - [ -0.0001007600000000, -0.0012177100000000, -0.0022154000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000683000000000 ] - [ 0.0001007600000000, 0.0012177100000000, -0.0022154000000000 ] - [ -0.0000871100000000, 0.0003099200000000, 0.0003365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000055300000000 ] - [ 0.0000871100000000, -0.0003099200000000, 0.0003365900000000 ] - [ 0.0047248000000000, 0.0004939300000000, -0.0001886300000000 ] - [ 0.0045630800000000, -0.0003162100000000, -0.0000204900000000 ] - [ 0.0045667500000000, -0.0003631600000000, -0.0001121000000000 ] - [ 0.0046804300000000, -0.0005320500000000, 0.0000901200000000 ] - [ 0.0046251100000000, -0.0003175700000000, 0.0000191100000000 ] - [ 0.0045357300000000, -0.0003895900000000, 0.0001350000000000 ] - [ 0.0036811500000000, 0.0003208900000000, -0.0001354500000000 ] - [ 0.0046080700000000, 0.0002959900000000, -0.0000016200000000 ] - [ 0.0069139800000000, 0.0031834400000000, -0.0001173200000000 ] - [ 0.0047803900000000, 0.0003063200000000, 0.0000348000000000 ] - [ 0.0045871900000000, 0.0003190300000000, -0.0000005400000000 ] - [ 0.0045609900000000, 0.0002293200000000, 0.0010850200000000 ] - [ -0.0046866900000000, -0.0002515600000000, 0.0001355600000000 ] - [ -0.0045990400000000, -0.0003251100000000, 0.0000190700000000 ] - [ -0.0045423100000000, -0.0001005400000000, 0.0000902400000000 ] - [ -0.0046547500000000, -0.0002790000000000, -0.0001121200000000 ] - [ -0.0046610500000000, -0.0003267100000000, -0.0000204700000000 ] - [ -0.0044995500000000, -0.0011240600000000, -0.0001857500000000 ] - [ -0.0046599300000000, 0.0004110400000000, 0.0010867500000000 ] - [ -0.0046356100000000, 0.0003124500000000, -0.0000008700000000 ] - [ -0.0044429900000000, 0.0003353500000000, 0.0000345400000000 ] - [ -0.0022966100000000, -0.0025638100000000, -0.0001186700000000 ] - [ -0.0046145500000000, 0.0003352700000000, -0.0000013200000000 ] - [ -0.0055407400000000, 0.0003199000000000, -0.0001327200000000 ] - [ 0.0044429900000000, -0.0003353500000000, 0.0000345400000000 ] - [ 0.0046356100000000, -0.0003124500000000, -0.0000008700000000 ] - [ 0.0046599300000000, -0.0004110400000000, 0.0010867500000000 ] - [ 0.0055407400000000, -0.0003199000000000, -0.0001327200000000 ] - [ 0.0046145500000000, -0.0003352700000000, -0.0000013200000000 ] - [ 0.0022966100000000, 0.0025638100000000, -0.0001186700000000 ] - [ 0.0045423100000000, 0.0001005400000000, 0.0000902400000000 ] - [ 0.0045990400000000, 0.0003251100000000, 0.0000190700000000 ] - [ 0.0046866900000000, 0.0002515600000000, 0.0001355600000000 ] - [ 0.0044995500000000, 0.0011240600000000, -0.0001857500000000 ] - [ 0.0046610500000000, 0.0003267100000000, -0.0000204700000000 ] - [ 0.0046547500000000, 0.0002790000000000, -0.0001121200000000 ] - [ -0.0069139800000000, -0.0031834400000000, -0.0001173200000000 ] - [ -0.0046080700000000, -0.0002959900000000, -0.0000016200000000 ] - [ -0.0036811500000000, -0.0003208900000000, -0.0001354500000000 ] - [ -0.0045609900000000, -0.0002293200000000, 0.0010850200000000 ] - [ -0.0045871900000000, -0.0003190300000000, -0.0000005400000000 ] - [ -0.0047803900000000, -0.0003063200000000, 0.0000348000000000 ] - [ -0.0045667500000000, 0.0003631600000000, -0.0001121000000000 ] - [ -0.0045630800000000, 0.0003162100000000, -0.0000204900000000 ] - [ -0.0047248000000000, -0.0004939300000000, -0.0001886300000000 ] - [ -0.0045357300000000, 0.0003895900000000, 0.0001350000000000 ] - [ -0.0046251100000000, 0.0003175700000000, 0.0000191100000000 ] - [ -0.0046804300000000, 0.0005320500000000, 0.0000901200000000 ] - [ 0.0007614500000000, -0.0143838500000000, -0.0006673200000000 ] - [ 0.0002824800000000, -0.0147459100000000, -0.0000751200000000 ] - [ -0.0000761300000000, -0.0151129000000000, -0.0022734700000000 ] - [ -0.0001320700000000, -0.0141376300000000, 0.0005019500000000 ] - [ 0.0003382800000000, -0.0147957300000000, 0.0000328900000000 ] - [ -0.0095405200000000, -0.0251861000000000, 0.0133901800000000 ] - [ -0.0001271200000000, 0.0142135200000000, 0.0001703600000000 ] - [ -0.0003165400000000, 0.0147223700000000, 0.0000453900000000 ] - [ -0.0003797400000000, 0.0146300900000000, 0.0003757100000000 ] - [ -0.0003614200000000, 0.0146876700000000, -0.0001271600000000 ] - [ -0.0002355200000000, 0.0147236900000000, -0.0000475200000000 ] - [ -0.0000846500000000, 0.0150276200000000, -0.0004622100000000 ] - [ 0.0004025500000000, 0.0143573700000000, -0.0004625700000000 ] - [ 0.0002858200000000, 0.0147024100000000, -0.0000474500000000 ] - [ 0.0002809200000000, 0.0146794600000000, -0.0001267300000000 ] - [ 0.0001065800000000, 0.0147581900000000, 0.0003748500000000 ] - [ 0.0002048700000000, 0.0147036200000000, 0.0000452200000000 ] - [ 0.0005147600000000, 0.0151522100000000, 0.0001695100000000 ] - [ -0.0097279700000000, -0.0045941600000000, 0.0131518000000000 ] - [ -0.0001480800000000, -0.0145911500000000, 0.0000336200000000 ] - [ -0.0007708500000000, -0.0152279600000000, 0.0005037000000000 ] - [ -0.0006017300000000, -0.0143082400000000, -0.0022814900000000 ] - [ -0.0002026800000000, -0.0146412200000000, -0.0000772700000000 ] - [ 0.0001171300000000, -0.0149796300000000, -0.0006652700000000 ] - [ 0.0003797400000000, -0.0146300900000000, 0.0003757100000000 ] - [ 0.0003165400000000, -0.0147223700000000, 0.0000453900000000 ] - [ 0.0001271200000000, -0.0142135200000000, 0.0001703600000000 ] - [ 0.0000846500000000, -0.0150276200000000, -0.0004622100000000 ] - [ 0.0002355200000000, -0.0147236900000000, -0.0000475200000000 ] - [ 0.0003614200000000, -0.0146876700000000, -0.0001271600000000 ] - [ 0.0000761300000000, 0.0151129000000000, -0.0022734700000000 ] - [ -0.0002824800000000, 0.0147459100000000, -0.0000751200000000 ] - [ -0.0007614500000000, 0.0143838500000000, -0.0006673200000000 ] - [ 0.0095405200000000, 0.0251861000000000, 0.0133901800000000 ] - [ -0.0003382800000000, 0.0147957300000000, 0.0000328900000000 ] - [ 0.0001320700000000, 0.0141376300000000, 0.0005019500000000 ] - [ 0.0007708500000000, 0.0152279600000000, 0.0005037000000000 ] - [ 0.0001480800000000, 0.0145911500000000, 0.0000336200000000 ] - [ 0.0097279700000000, 0.0045941600000000, 0.0131518000000000 ] - [ -0.0001171300000000, 0.0149796300000000, -0.0006652700000000 ] - [ 0.0002026800000000, 0.0146412200000000, -0.0000772700000000 ] - [ 0.0006017300000000, 0.0143082400000000, -0.0022814900000000 ] - [ -0.0002809200000000, -0.0146794600000000, -0.0001267300000000 ] - [ -0.0002858200000000, -0.0147024100000000, -0.0000474500000000 ] - [ -0.0004025500000000, -0.0143573700000000, -0.0004625700000000 ] - [ -0.0005147600000000, -0.0151522100000000, 0.0001695100000000 ] - [ -0.0002048700000000, -0.0147036200000000, 0.0000452200000000 ] - [ -0.0001065800000000, -0.0147581900000000, 0.0003748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0774002200000000 ] - [ 0.0000429200000000, 0.0002298100000000, -0.0003404600000000 ] - [ -0.0000429200000000, -0.0002298100000000, -0.0003404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021202300000000 ] - [ 0.0000413600000000, -0.0006107900000000, 0.0004074900000000 ] - [ -0.0000413600000000, 0.0006107900000000, 0.0004074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0148288600000000 ] - [ -0.0001052000000000, -0.0001245400000000, 0.0000037200000000 ] - [ 0.0001052000000000, 0.0001245400000000, 0.0000037200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0150867200000000 ] - [ 0.0001896100000000, -0.0001228800000000, 0.0000067200000000 ] - [ -0.0001896100000000, 0.0001228800000000, 0.0000067200000000 ] - [ 0.0001001000000000, 0.0001075700000000, 0.0001332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248200000000 ] - [ -0.0001001000000000, -0.0001075700000000, 0.0001332600000000 ] - [ -0.0001852000000000, 0.0001067200000000, 0.0001350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0001852000000000, -0.0001067200000000, 0.0001350700000000 ] - [ -0.0000421700000000, 0.0000966800000000, -0.0006119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001251500000000 ] - [ 0.0000421700000000, -0.0000966800000000, -0.0006119900000000 ] - [ -0.0000435200000000, 0.0001096400000000, 0.0003668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000746900000000 ] - [ 0.0000435200000000, -0.0001096400000000, 0.0003668200000000 ]