# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d6c74017-123f-42ac-91a3-8c0de6bb9158/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 Na2SiO3 / Cmc2_1 (36) / materials id 4533](https://mdr.nims.go.jp/datasets/e770453b-4b85-4335-863d-5527fe36db93) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 5.274024050000000, -3.048853140000000, 0.000000000000000 ] # a - [ 5.274024050000000, 3.048853140000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.818803090000000 ] # c points: - symbol: O # 1 coordinates: [ 0.413753750000000, 0.586246250000000, 0.621956290000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.586246250000000, 0.413753750000000, 0.121956290000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.658608090000000, 0.080630330000000, 0.517199350000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.341391910000000, 0.919369670000000, 0.017199350000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.919369670000000, 0.341391910000000, 0.517199350000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.080630330000000, 0.658608090000000, 0.017199350000000 ] mass: 15.999400 - symbol: Na # 7 coordinates: [ 0.326636720000000, 0.003921520000000, 0.497966530000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.996078480000000, 0.673363280000000, 0.497966530000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.673363280000000, 0.996078480000000, 0.997966530000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.003921520000000, 0.326636720000000, 0.997966530000000 ] mass: 22.989769 - symbol: Si # 11 coordinates: [ 0.658402170000000, 0.341597830000000, 0.461111950000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.341597830000000, 0.658402170000000, 0.961111950000000 ] mass: 28.085500 reciprocal_lattice: # without 2pi - [ 0.094804269995697, -0.163996091986248, 0.000000000000000 ] # a* - [ 0.094804269995697, 0.163996091986248, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.207520411463835 ] # c*unit_cell: lattice: - [ 10.548048100000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.097706280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.818803090000000 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.586246250000000, 0.621956290000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.413753750000000, 0.121956290000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.869619210000000, 0.211011120000000, 0.517199350000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.130380790000000, 0.788988880000000, 0.017199350000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.130380790000000, 0.211011120000000, 0.517199350000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.869619210000000, 0.788988880000000, 0.017199350000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.086246250000000, 0.621956290000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.913753750000000, 0.121956290000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.369619210000000, 0.711011120000000, 0.517199350000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.630380790000000, 0.288988880000000, 0.017199350000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.630380790000000, 0.711011120000000, 0.517199350000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.369619210000000, 0.288988880000000, 0.017199350000000 ] mass: 15.999400 reduced_to: 6 - symbol: Na # 13 coordinates: [ 0.165279120000000, 0.838642400000000, 0.497966530000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.834720880000000, 0.838642400000000, 0.497966530000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.834720880000000, 0.161357600000000, 0.997966530000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.165279120000000, 0.161357600000000, 0.997966530000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.665279120000000, 0.338642400000000, 0.497966530000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 18 coordinates: [ 0.334720880000000, 0.338642400000000, 0.497966530000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 19 coordinates: [ 0.334720880000000, 0.661357600000000, 0.997966530000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 20 coordinates: [ 0.665279120000000, 0.661357600000000, 0.997966530000000 ] mass: 22.989769 reduced_to: 16 - symbol: Si # 21 coordinates: [ 0.000000000000000, 0.341597830000000, 0.461111950000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.000000000000000, 0.658402170000000, 0.961111950000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.500000000000000, 0.841597830000000, 0.461111950000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 24 coordinates: [ 0.500000000000000, 0.158402170000000, 0.961111950000000 ] mass: 28.085500 reduced_to: 22supercell: lattice: - [ 10.548048100000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.195412559999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.456409270000002 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.293123125000000, 0.207318763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.000000000000000, 0.793123125000000, 0.207318763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.293123125000000, 0.540652096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.000000000000000, 0.793123125000000, 0.540652096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.293123125000000, 0.873985430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.793123125000000, 0.873985430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.206876875000000, 0.040652096666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.706876875000000, 0.040652096666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.206876875000000, 0.373985430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.706876875000000, 0.373985430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.206876875000000, 0.707318763333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.706876875000000, 0.707318763333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.869619210000000, 0.105505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.869619210000000, 0.605505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.869619210000000, 0.105505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.869619210000000, 0.605505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.869619210000000, 0.105505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.869619210000000, 0.605505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.130380790000000, 0.394494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.130380790000000, 0.894494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.130380790000000, 0.394494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.130380790000000, 0.894494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.130380790000000, 0.394494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.130380790000000, 0.894494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.130380790000000, 0.105505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.130380790000000, 0.605505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.130380790000000, 0.105505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.130380790000000, 0.605505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.130380790000000, 0.105505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.130380790000000, 0.605505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.869619210000000, 0.394494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.869619210000000, 0.894494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.869619210000000, 0.394494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.869619210000000, 0.894494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.869619210000000, 0.394494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.869619210000000, 0.894494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.043123125000000, 0.207318763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.543123125000000, 0.207318763333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 39 coordinates: [ 0.500000000000000, 0.043123125000000, 0.540652096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.543123125000000, 0.540652096666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 41 coordinates: [ 0.500000000000000, 0.043123125000000, 0.873985430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 42 coordinates: [ 0.500000000000000, 0.543123125000000, 0.873985430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 43 coordinates: [ 0.500000000000000, 0.456876875000000, 0.040652096666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.956876875000000, 0.040652096666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.456876875000000, 0.373985430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.956876875000000, 0.373985430000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.456876875000000, 0.707318763333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.956876875000000, 0.707318763333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 49 coordinates: [ 0.369619210000000, 0.355505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 50 coordinates: [ 0.369619210000000, 0.855505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 51 coordinates: [ 0.369619210000000, 0.355505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 52 coordinates: [ 0.369619210000000, 0.855505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 53 coordinates: [ 0.369619210000000, 0.355505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 54 coordinates: [ 0.369619210000000, 0.855505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 55 coordinates: [ 0.630380790000000, 0.144494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 56 coordinates: [ 0.630380790000000, 0.644494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 57 coordinates: [ 0.630380790000000, 0.144494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 58 coordinates: [ 0.630380790000000, 0.644494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 59 coordinates: [ 0.630380790000000, 0.144494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 60 coordinates: [ 0.630380790000000, 0.644494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 61 coordinates: [ 0.630380790000000, 0.355505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 62 coordinates: [ 0.630380790000000, 0.855505560000000, 0.172399783333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 63 coordinates: [ 0.630380790000000, 0.355505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 64 coordinates: [ 0.630380790000000, 0.855505560000000, 0.505733116666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 65 coordinates: [ 0.630380790000000, 0.355505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 66 coordinates: [ 0.630380790000000, 0.855505560000000, 0.839066450000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 67 coordinates: [ 0.369619210000000, 0.144494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 68 coordinates: [ 0.369619210000000, 0.644494440000000, 0.005733116666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 69 coordinates: [ 0.369619210000000, 0.144494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 70 coordinates: [ 0.369619210000000, 0.644494440000000, 0.339066450000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 71 coordinates: [ 0.369619210000000, 0.144494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 72 coordinates: [ 0.369619210000000, 0.644494440000000, 0.672399783333333 ] mass: 15.999400 reduced_to: 31 - symbol: Na # 73 coordinates: [ 0.165279120000000, 0.419321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 74 coordinates: [ 0.165279120000000, 0.919321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 75 coordinates: [ 0.165279120000000, 0.419321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 76 coordinates: [ 0.165279120000000, 0.919321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 77 coordinates: [ 0.165279120000000, 0.419321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 78 coordinates: [ 0.165279120000000, 0.919321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 79 coordinates: [ 0.834720880000000, 0.419321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 80 coordinates: [ 0.834720880000000, 0.919321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 81 coordinates: [ 0.834720880000000, 0.419321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 82 coordinates: [ 0.834720880000000, 0.919321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 83 coordinates: [ 0.834720880000000, 0.419321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 84 coordinates: [ 0.834720880000000, 0.919321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 85 coordinates: [ 0.834720880000000, 0.080678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 86 coordinates: [ 0.834720880000000, 0.580678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 87 coordinates: [ 0.834720880000000, 0.080678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 88 coordinates: [ 0.834720880000000, 0.580678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 89 coordinates: [ 0.834720880000000, 0.080678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 90 coordinates: [ 0.834720880000000, 0.580678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 91 coordinates: [ 0.165279120000000, 0.080678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 92 coordinates: [ 0.165279120000000, 0.580678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 93 coordinates: [ 0.165279120000000, 0.080678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 94 coordinates: [ 0.165279120000000, 0.580678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 95 coordinates: [ 0.165279120000000, 0.080678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 96 coordinates: [ 0.165279120000000, 0.580678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 97 coordinates: [ 0.665279120000000, 0.169321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 98 coordinates: [ 0.665279120000000, 0.669321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 99 coordinates: [ 0.665279120000000, 0.169321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 100 coordinates: [ 0.665279120000000, 0.669321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 101 coordinates: [ 0.665279120000000, 0.169321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 102 coordinates: [ 0.665279120000000, 0.669321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 103 coordinates: [ 0.334720880000000, 0.169321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 104 coordinates: [ 0.334720880000000, 0.669321200000000, 0.165988843333333 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 105 coordinates: [ 0.334720880000000, 0.169321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 106 coordinates: [ 0.334720880000000, 0.669321200000000, 0.499322176666667 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 107 coordinates: [ 0.334720880000000, 0.169321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 108 coordinates: [ 0.334720880000000, 0.669321200000000, 0.832655510000000 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 109 coordinates: [ 0.334720880000000, 0.330678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 110 coordinates: [ 0.334720880000000, 0.830678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 111 coordinates: [ 0.334720880000000, 0.330678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 112 coordinates: [ 0.334720880000000, 0.830678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 113 coordinates: [ 0.334720880000000, 0.330678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 114 coordinates: [ 0.334720880000000, 0.830678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 115 coordinates: [ 0.665279120000000, 0.330678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 116 coordinates: [ 0.665279120000000, 0.830678800000000, 0.332655510000000 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 117 coordinates: [ 0.665279120000000, 0.330678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 118 coordinates: [ 0.665279120000000, 0.830678800000000, 0.665988843333333 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 119 coordinates: [ 0.665279120000000, 0.330678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 120 coordinates: [ 0.665279120000000, 0.830678800000000, 0.999322176666667 ] mass: 22.989769 reduced_to: 91 - symbol: Si # 121 coordinates: [ 0.000000000000000, 0.170798915000000, 0.153703983333333 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 122 coordinates: [ 0.000000000000000, 0.670798915000000, 0.153703983333333 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 123 coordinates: [ 0.000000000000000, 0.170798915000000, 0.487037316666667 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 124 coordinates: [ 0.000000000000000, 0.670798915000000, 0.487037316666667 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 125 coordinates: [ 0.000000000000000, 0.170798915000000, 0.820370650000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 126 coordinates: [ 0.000000000000000, 0.670798915000000, 0.820370650000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 127 coordinates: [ 0.000000000000000, 0.329201085000000, 0.320370650000000 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 128 coordinates: [ 0.000000000000000, 0.829201085000000, 0.320370650000000 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 129 coordinates: [ 0.000000000000000, 0.329201085000000, 0.653703983333333 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 130 coordinates: [ 0.000000000000000, 0.829201085000000, 0.653703983333333 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 131 coordinates: [ 0.000000000000000, 0.329201085000000, 0.987037316666667 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 132 coordinates: [ 0.000000000000000, 0.829201085000000, 0.987037316666667 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 133 coordinates: [ 0.500000000000000, 0.420798915000000, 0.153703983333333 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 134 coordinates: [ 0.500000000000000, 0.920798915000000, 0.153703983333333 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 135 coordinates: [ 0.500000000000000, 0.420798915000000, 0.487037316666667 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 136 coordinates: [ 0.500000000000000, 0.920798915000000, 0.487037316666667 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 137 coordinates: [ 0.500000000000000, 0.420798915000000, 0.820370650000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 138 coordinates: [ 0.500000000000000, 0.920798915000000, 0.820370650000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 139 coordinates: [ 0.500000000000000, 0.079201085000000, 0.320370650000000 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 140 coordinates: [ 0.500000000000000, 0.579201085000000, 0.320370650000000 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 141 coordinates: [ 0.500000000000000, 0.079201085000000, 0.653703983333333 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 142 coordinates: [ 0.500000000000000, 0.579201085000000, 0.653703983333333 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 143 coordinates: [ 0.500000000000000, 0.079201085000000, 0.987037316666667 ] mass: 28.085500 reduced_to: 127 - symbol: Si # 144 coordinates: [ 0.500000000000000, 0.579201085000000, 0.987037316666667 ] mass: 28.085500 reduced_to: 127born_effective_charge:- # 1 (O) - [ -1.014884450000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.826659200000000, -0.640282110000000 ] - [ 0.000000000000000, -0.758585480000000, -2.323244460000000 ]- # 2 (O) - [ -1.014884450000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.826659200000000, 0.640282110000000 ] - [ -0.000000000000000, 0.758585480000000, -2.323244460000000 ]- # 3 (O) - [ -1.820780230000000, -0.256863540000000, 0.070630350000000 ] - [ -0.372876810000000, -1.497292160000000, 0.090357720000000 ] - [ 0.091699080000000, 0.022087330000000, -1.370475900000000 ]- # 4 (O) - [ -1.820780230000000, -0.256863540000000, -0.070630350000000 ] - [ -0.372876810000000, -1.497292160000000, -0.090357720000000 ] - [ -0.091699080000000, -0.022087330000000, -1.370475900000000 ]- # 5 (O) - [ -1.820780230000000, 0.256863540000000, -0.070630350000000 ] - [ 0.372876810000000, -1.497292160000000, 0.090357720000000 ] - [ -0.091699080000000, 0.022087330000000, -1.370475900000000 ]- # 6 (O) - [ -1.820780230000000, 0.256863540000000, 0.070630350000000 ] - [ 0.372876810000000, -1.497292160000000, -0.090357720000000 ] - [ 0.091699080000000, -0.022087330000000, -1.370475900000000 ]- # 7 (Na) - [ 1.053341820000000, -0.015404490000000, -0.005109330000000 ] - [ 0.062334160000000, 1.024758190000000, -0.013990670000000 ] - [ -0.014173920000000, -0.015394330000000, 1.037183830000000 ]- # 8 (Na) - [ 1.053341820000000, 0.015404490000000, 0.005109330000000 ] - [ -0.062334160000000, 1.024758190000000, -0.013990670000000 ] - [ 0.014173920000000, -0.015394330000000, 1.037183830000000 ]- # 9 (Na) - [ 1.053341820000000, -0.015404490000000, 0.005109330000000 ] - [ 0.062334160000000, 1.024758190000000, 0.013990670000000 ] - [ 0.014173920000000, 0.015394330000000, 1.037183830000000 ]- # 10 (Na) - [ 1.053341820000000, 0.015404490000000, -0.005109330000000 ] - [ -0.062334160000000, 1.024758190000000, 0.013990670000000 ] - [ -0.014173920000000, 0.015394330000000, 1.037183830000000 ]- # 11 (Si) - [ 2.549761270000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.771727150000000, -0.255665860000000 ] - [ -0.000000000000000, 0.169994210000000, 2.989828610000000 ]- # 12 (Si) - [ 2.549761270000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.771727150000000, 0.255665860000000 ] - [ 0.000000000000000, -0.169994210000000, 2.989828610000000 ]dielectric_constant: - [ 2.425882070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.451942280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.483507860000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0682025500000000, -0.0003475700000000, 0.0013174200000000 ] - [ -0.0007044600000000, 0.0001887300000000, 0.0010202500000000 ] - [ -0.0005012100000000, 0.0001816100000000, 0.0010122700000000 ] - [ -0.0002698300000000, 0.0001868900000000, 0.0010192200000000 ] - [ -0.0005011400000000, 0.0001822600000000, 0.0010179900000000 ] - [ -0.0002698300000000, 0.0001872000000000, 0.0010186300000000 ] - [ -0.0057071300000000, -0.0001902100000000, 0.0010188200000000 ] - [ -0.0005526700000000, -0.0001838600000000, 0.0010163300000000 ] - [ -0.0057070700000000, -0.0001766900000000, 0.0009647200000000 ] - [ -0.0005526200000000, -0.0001848800000000, 0.0010194100000000 ] - [ -0.0000942700000000, -0.0001865000000000, 0.0010173600000000 ] - [ -0.0000926600000000, -0.0001855100000000, 0.0010177900000000 ] - [ 0.0001954800000000, 0.0173149100000000, 0.0054183200000000 ] - [ -0.0009012200000000, -0.0012444600000000, 0.0002495600000000 ] - [ -0.0003923400000000, -0.0002782600000000, 0.0000285900000000 ] - [ -0.0005309200000000, -0.0007687700000000, -0.0005277400000000 ] - [ -0.0001546700000000, -0.0001693200000000, 0.0000486300000000 ] - [ -0.0001105600000000, -0.0002264800000000, 0.0000203900000000 ] - [ -0.0012274600000000, 0.0003513000000000, -0.0021479000000000 ] - [ -0.0005451700000000, -0.0004566800000000, -0.0005851300000000 ] - [ 0.0005817100000000, 0.0108428200000000, 0.0165546000000000 ] - [ -0.0005506200000000, -0.0003901000000000, 0.0003165900000000 ] - [ -0.0002201300000000, 0.0000323300000000, 0.0000491600000000 ] - [ -0.0000706400000000, 0.0001017200000000, -0.0000709200000000 ] - [ 0.0001521700000000, -0.0176625000000000, -0.0055631000000000 ] - [ -0.0009452200000000, 0.0010314000000000, -0.0003777900000000 ] - [ -0.0004427600000000, 0.0000640200000000, -0.0001648800000000 ] - [ -0.0005729700000000, 0.0005479700000000, 0.0004010300000000 ] - [ -0.0001979600000000, -0.0000510900000000, -0.0001764500000000 ] - [ -0.0001532000000000, 0.0000058100000000, -0.0001501000000000 ] - [ -0.0011796900000000, -0.0001356100000000, 0.0020064200000000 ] - [ -0.0005033000000000, 0.0006810800000000, 0.0004566800000000 ] - [ 0.0006072800000000, -0.0105283800000000, -0.0165537900000000 ] - [ -0.0005085000000000, 0.0006144300000000, -0.0004440500000000 ] - [ -0.0001758600000000, 0.0001853200000000, -0.0001793900000000 ] - [ -0.0000285200000000, 0.0001210000000000, -0.0000576300000000 ] - [ 0.0008149200000000, 0.0001851800000000, 0.0010181100000000 ] - [ 0.0008149800000000, 0.0001897400000000, 0.0010212600000000 ] - [ 0.0001188300000000, 0.0001866200000000, 0.0010195900000000 ] - [ 0.0002619500000000, 0.0001856800000000, 0.0010191500000000 ] - [ 0.0002619400000000, 0.0001864400000000, 0.0010175500000000 ] - [ 0.0001187600000000, 0.0001854400000000, 0.0010166500000000 ] - [ 0.0007430800000000, -0.0001832300000000, 0.0010139200000000 ] - [ 0.0004104000000000, -0.0001860500000000, 0.0010179900000000 ] - [ 0.0007431200000000, -0.0001866200000000, 0.0010214300000000 ] - [ 0.0004104800000000, -0.0001870300000000, 0.0010193900000000 ] - [ 0.0001168200000000, -0.0001866400000000, 0.0010178900000000 ] - [ 0.0000501800000000, -0.0001858700000000, 0.0010180900000000 ] - [ 0.0034148400000000, 0.0006572100000000, -0.0005491900000000 ] - [ 0.0007320200000000, -0.0002615100000000, -0.0000923800000000 ] - [ 0.0010121900000000, -0.0000542100000000, 0.0003688400000000 ] - [ 0.0001559300000000, -0.0000655400000000, -0.0000246800000000 ] - [ 0.0002523700000000, -0.0000629800000000, -0.0001846100000000 ] - [ 0.0001192000000000, -0.0000919300000000, -0.0001101100000000 ] - [ 0.0009627600000000, 0.0002853700000000, 0.0004573900000000 ] - [ 0.0002601200000000, 0.0001174400000000, 0.0000307200000000 ] - [ 0.0014870800000000, 0.0006634800000000, -0.0005004100000000 ] - [ 0.0006714500000000, -0.0000550600000000, -0.0000634700000000 ] - [ 0.0000577600000000, 0.0001661100000000, -0.0000835900000000 ] - [ 0.0000865900000000, 0.0001149700000000, -0.0000871800000000 ] - [ 0.0033575900000000, -0.0008726600000000, 0.0004189300000000 ] - [ 0.0006888700000000, 0.0000427400000000, -0.0000363000000000 ] - [ 0.0009704200000000, -0.0001679000000000, -0.0004956300000000 ] - [ 0.0001124900000000, -0.0001540300000000, -0.0001026300000000 ] - [ 0.0002088800000000, -0.0001594500000000, 0.0000544200000000 ] - [ 0.0000752800000000, -0.0001275400000000, -0.0000189400000000 ] - [ 0.0010049700000000, -0.0000676400000000, -0.0005873100000000 ] - [ 0.0003036900000000, 0.0001052700000000, -0.0001612600000000 ] - [ 0.0015300700000000, -0.0004464200000000, 0.0003747100000000 ] - [ 0.0007142100000000, 0.0002766700000000, -0.0000623400000000 ] - [ 0.0001003800000000, 0.0000545600000000, -0.0000448500000000 ] - [ 0.0001303900000000, 0.0001054200000000, -0.0000412600000000 ] - [ 0.0047595100000000, 0.0016812900000000, -0.0001510900000000 ] - [ 0.0001106500000000, 0.0010492400000000, -0.0000407600000000 ] - [ 0.0000959700000000, 0.0000031900000000, -0.0011720600000000 ] - [ -0.0000091900000000, 0.0000010200000000, -0.0001005900000000 ] - [ -0.0000154300000000, -0.0000201400000000, 0.0002003600000000 ] - [ -0.0000226700000000, 0.0000133100000000, 0.0000910100000000 ] - [ 0.0046371900000000, -0.0014569300000000, 0.0000694500000000 ] - [ 0.0001985600000000, -0.0010631400000000, 0.0000472600000000 ] - [ 0.0001836100000000, -0.0000059800000000, 0.0011818400000000 ] - [ 0.0000785700000000, -0.0000085700000000, 0.0001070900000000 ] - [ 0.0000725400000000, 0.0000152000000000, -0.0001920400000000 ] - [ 0.0000654400000000, -0.0000192600000000, -0.0000842700000000 ] - [ 0.0000625700000000, -0.0010345200000000, 0.0015184600000000 ] - [ 0.0001844600000000, 0.0012934900000000, -0.0000051600000000 ] - [ 0.0000616700000000, -0.0000114900000000, 0.0000082000000000 ] - [ 0.0000697400000000, 0.0000370900000000, 0.0000938300000000 ] - [ 0.0001729300000000, -0.0000561700000000, -0.0011713500000000 ] - [ 0.0001089500000000, 0.0002792400000000, -0.0002128200000000 ] - [ -0.0000206900000000, 0.0010441700000000, -0.0015149500000000 ] - [ 0.0000951500000000, -0.0012865300000000, 0.0000081000000000 ] - [ -0.0000259700000000, 0.0000166000000000, -0.0000001100000000 ] - [ -0.0000185000000000, -0.0000312100000000, -0.0000872600000000 ] - [ 0.0000879900000000, 0.0000603600000000, 0.0011733600000000 ] - [ 0.0000206400000000, -0.0002756800000000, 0.0002215900000000 ] - [ -0.0023115300000000, -0.0004853500000000, -0.0003410600000000 ] - [ -0.0002665000000000, 0.0001266100000000, -0.0000593300000000 ] - [ -0.0001897400000000, -0.0001725400000000, 0.0002559900000000 ] - [ -0.0001848400000000, 0.0001072300000000, 0.0001047200000000 ] - [ -0.0000905800000000, -0.0000234700000000, -0.0001066800000000 ] - [ -0.0000787800000000, 0.0000071400000000, -0.0000262900000000 ] - [ -0.0022300500000000, 0.0004959000000000, 0.0003514300000000 ] - [ -0.0001778800000000, -0.0001348800000000, 0.0000656100000000 ] - [ -0.0000986600000000, 0.0001676600000000, -0.0002500600000000 ] - [ -0.0000957500000000, -0.0001131000000000, -0.0000988000000000 ] - [ -0.0000012000000000, 0.0000187100000000, 0.0001138800000000 ] - [ 0.0000102200000000, -0.0000130000000000, 0.0000336700000000 ] - [ -0.0019448400000000, 0.0001275400000000, -0.0006828900000000 ] - [ -0.0001014800000000, 0.0000421900000000, -0.0000918600000000 ] - [ -0.0000061400000000, 0.0000241300000000, -0.0000774200000000 ] - [ 0.0000267200000000, -0.0000102900000000, -0.0000068100000000 ] - [ -0.0004514900000000, -0.0000663600000000, 0.0005437700000000 ] - [ -0.0000895500000000, 0.0000766600000000, 0.0001102500000000 ] - [ -0.0020283900000000, -0.0001250600000000, 0.0006769700000000 ] - [ -0.0001907200000000, -0.0000377400000000, 0.0000978400000000 ] - [ -0.0000955900000000, -0.0000180400000000, 0.0000844900000000 ] - [ -0.0000624700000000, 0.0000153900000000, 0.0000134800000000 ] - [ -0.0005391500000000, 0.0000734500000000, -0.0005318100000000 ] - [ -0.0001786100000000, -0.0000722900000000, -0.0001038900000000 ] - [ 0.0339138400000000, 0.0008858200000000, -0.0007618800000000 ] - [ 0.0021119700000000, 0.0005154800000000, -0.0008961100000000 ] - [ -0.0002000700000000, 0.0005158400000000, -0.0008750300000000 ] - [ 0.0013640900000000, 0.0005195800000000, -0.0008986800000000 ] - [ 0.0002456200000000, 0.0005211700000000, -0.0008971800000000 ] - [ 0.0002710700000000, 0.0005196400000000, -0.0008965900000000 ] - [ 0.0361641700000000, -0.0005743200000000, -0.0012844100000000 ] - [ 0.0012341900000000, -0.0005235900000000, -0.0008990800000000 ] - [ 0.0004113000000000, -0.0005186600000000, -0.0008933700000000 ] - [ 0.0000988200000000, -0.0005221900000000, -0.0008970300000000 ] - [ 0.0038202400000000, -0.0005006300000000, -0.0008935200000000 ] - [ 0.0012081100000000, -0.0005236400000000, -0.0008962600000000 ] - [ -0.0036855500000000, 0.0005131600000000, -0.0008947700000000 ] - [ -0.0011492300000000, 0.0005206600000000, -0.0008970300000000 ] - [ -0.0014137500000000, 0.0005221200000000, -0.0008998900000000 ] - [ -0.0002395700000000, 0.0005202000000000, -0.0008983200000000 ] - [ -0.0003556500000000, 0.0005213800000000, -0.0008957900000000 ] - [ -0.0001389400000000, 0.0005201300000000, -0.0008966600000000 ] - [ -0.0021267300000000, -0.0005191600000000, -0.0008971100000000 ] - [ -0.0011777400000000, -0.0005221900000000, -0.0009010700000000 ] - [ -0.0001626000000000, -0.0005215300000000, -0.0008972000000000 ] - [ -0.0001808500000000, -0.0005207300000000, -0.0008969600000000 ] - [ -0.0014102200000000, -0.0005203600000000, -0.0008963700000000 ] - [ -0.0004235800000000, -0.0005231500000000, -0.0008942400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.2389907200000000, -0.1326335900000000 ] - [ 0.0000000000000000, 0.0032320600000000, 0.0013300000000000 ] - [ 0.0000000000000000, -0.0017527400000000, 0.0012593000000000 ] - [ 0.0000000000000000, 0.0014003100000000, 0.0015115800000000 ] - [ 0.0000000000000000, -0.0017466600000000, 0.0022312000000000 ] - [ 0.0000000000000000, 0.0013999500000000, 0.0020234100000000 ] - [ 0.0000000000000000, -0.0047761100000000, 0.0152700900000000 ] - [ 0.0000000000000000, 0.0022019700000000, -0.0007273000000000 ] - [ 0.0000000000000000, -0.0047339400000000, -0.0124430900000000 ] - [ 0.0000000000000000, 0.0021980400000000, 0.0003875800000000 ] - [ 0.0000000000000000, -0.0011045100000000, 0.0022275400000000 ] - [ 0.0000000000000000, 0.0001421700000000, 0.0014852200000000 ] - [ 0.0127103100000000, 0.0182520900000000, 0.0075594100000000 ] - [ -0.0000474000000000, 0.0032403300000000, -0.0011777700000000 ] - [ 0.0001936300000000, -0.0004540300000000, -0.0006395400000000 ] - [ 0.0001690100000000, 0.0012702000000000, 0.0007309800000000 ] - [ 0.0000541600000000, -0.0003253600000000, 0.0010321600000000 ] - [ 0.0001289800000000, 0.0002329400000000, 0.0000330000000000 ] - [ -0.0003611600000000, -0.0025224200000000, -0.0025508200000000 ] - [ 0.0002235300000000, 0.0022309000000000, 0.0010629000000000 ] - [ 0.0120163400000000, 0.0033187000000000, 0.0195225200000000 ] - [ 0.0002167000000000, 0.0019159000000000, -0.0011423600000000 ] - [ -0.0001644800000000, -0.0002238300000000, 0.0005906000000000 ] - [ 0.0000991400000000, 0.0004235400000000, 0.0002522600000000 ] - [ -0.0127103100000000, 0.0182520900000000, 0.0075594100000000 ] - [ 0.0000474000000000, 0.0032403300000000, -0.0011777700000000 ] - [ -0.0001936300000000, -0.0004540300000000, -0.0006395400000000 ] - [ -0.0001690100000000, 0.0012702000000000, 0.0007309800000000 ] - [ -0.0000541600000000, -0.0003253600000000, 0.0010321600000000 ] - [ -0.0001289800000000, 0.0002329400000000, 0.0000330000000000 ] - [ 0.0003611600000000, -0.0025224200000000, -0.0025508200000000 ] - [ -0.0002235300000000, 0.0022309000000000, 0.0010629000000000 ] - [ -0.0120163400000000, 0.0033187000000000, 0.0195225200000000 ] - [ -0.0002167000000000, 0.0019159000000000, -0.0011423600000000 ] - [ 0.0001644800000000, -0.0002238300000000, 0.0005906000000000 ] - [ -0.0000991400000000, 0.0004235400000000, 0.0002522600000000 ] - [ 0.0000000000000000, 0.0002363200000000, 0.0001674800000000 ] - [ 0.0000000000000000, 0.0002336400000000, 0.0005185900000000 ] - [ 0.0000000000000000, 0.0001584200000000, 0.0009217800000000 ] - [ 0.0000000000000000, 0.0007948100000000, 0.0017765100000000 ] - [ 0.0000000000000000, 0.0007955600000000, 0.0019740000000000 ] - [ 0.0000000000000000, 0.0001559000000000, 0.0009793900000000 ] - [ 0.0000000000000000, 0.0001892900000000, 0.0002499000000000 ] - [ 0.0000000000000000, 0.0001869200000000, 0.0011198100000000 ] - [ 0.0000000000000000, 0.0001883800000000, 0.0010878900000000 ] - [ 0.0000000000000000, 0.0001873700000000, 0.0002912900000000 ] - [ 0.0000000000000000, -0.0003384600000000, 0.0016131200000000 ] - [ 0.0000000000000000, -0.0003153400000000, 0.0014587500000000 ] - [ 0.0009394700000000, -0.0012448000000000, -0.0009744800000000 ] - [ -0.0003438500000000, 0.0010375700000000, -0.0003169600000000 ] - [ 0.0007221000000000, -0.0004708600000000, 0.0007487500000000 ] - [ 0.0000803900000000, 0.0002977900000000, -0.0001990000000000 ] - [ -0.0000297400000000, -0.0005126900000000, 0.0001317600000000 ] - [ -0.0000161900000000, 0.0002475600000000, 0.0002822500000000 ] - [ 0.0009133800000000, -0.0003384200000000, 0.0007836700000000 ] - [ -0.0000603600000000, 0.0006283400000000, -0.0002894400000000 ] - [ 0.0003355000000000, -0.0009177700000000, -0.0011176700000000 ] - [ -0.0003550200000000, 0.0010476000000000, -0.0001870900000000 ] - [ -0.0000074700000000, -0.0001945100000000, 0.0002184000000000 ] - [ 0.0000155900000000, 0.0003911500000000, 0.0003026200000000 ] - [ -0.0009394700000000, -0.0012448000000000, -0.0009744800000000 ] - [ 0.0003438500000000, 0.0010375700000000, -0.0003169600000000 ] - [ -0.0007221000000000, -0.0004708600000000, 0.0007487500000000 ] - [ -0.0000803900000000, 0.0002977900000000, -0.0001990000000000 ] - [ 0.0000297400000000, -0.0005126900000000, 0.0001317600000000 ] - [ 0.0000161900000000, 0.0002475600000000, 0.0002822500000000 ] - [ -0.0009133800000000, -0.0003384200000000, 0.0007836700000000 ] - [ 0.0000603600000000, 0.0006283400000000, -0.0002894400000000 ] - [ -0.0003355000000000, -0.0009177700000000, -0.0011176700000000 ] - [ 0.0003550200000000, 0.0010476000000000, -0.0001870900000000 ] - [ 0.0000074700000000, -0.0001945100000000, 0.0002184000000000 ] - [ -0.0000155900000000, 0.0003911500000000, 0.0003026200000000 ] - [ 0.0005751800000000, 0.0040877300000000, 0.0015550200000000 ] - [ 0.0005266300000000, -0.0030258100000000, 0.0003396900000000 ] - [ -0.0003387500000000, 0.0000511100000000, -0.0020911500000000 ] - [ -0.0000393500000000, -0.0002238000000000, 0.0002802200000000 ] - [ 0.0000316800000000, 0.0001878200000000, 0.0000071800000000 ] - [ 0.0000188700000000, -0.0002346200000000, -0.0004787900000000 ] - [ -0.0005751800000000, 0.0040877300000000, 0.0015550200000000 ] - [ -0.0005266300000000, -0.0030258100000000, 0.0003396900000000 ] - [ 0.0003387500000000, 0.0000511100000000, -0.0020911500000000 ] - [ 0.0000393500000000, -0.0002238000000000, 0.0002802200000000 ] - [ -0.0000316800000000, 0.0001878200000000, 0.0000071800000000 ] - [ -0.0000188700000000, -0.0002346200000000, -0.0004787900000000 ] - [ -0.0009615000000000, 0.0000012900000000, 0.0029681000000000 ] - [ 0.0006808200000000, -0.0025178500000000, -0.0002302800000000 ] - [ 0.0000088300000000, 0.0000678000000000, -0.0002396500000000 ] - [ 0.0000561600000000, -0.0001154400000000, -0.0004209300000000 ] - [ -0.0009457600000000, -0.0003320700000000, -0.0025523700000000 ] - [ 0.0001743800000000, -0.0004346300000000, 0.0006779400000000 ] - [ 0.0009615000000000, 0.0000012900000000, 0.0029681000000000 ] - [ -0.0006808200000000, -0.0025178500000000, -0.0002302800000000 ] - [ -0.0000088300000000, 0.0000678000000000, -0.0002396500000000 ] - [ -0.0000561600000000, -0.0001154400000000, -0.0004209300000000 ] - [ 0.0009457600000000, -0.0003320700000000, -0.0025523700000000 ] - [ -0.0001743800000000, -0.0004346300000000, 0.0006779400000000 ] - [ -0.0022683800000000, 0.0019216100000000, 0.0004272600000000 ] - [ 0.0003400200000000, -0.0008705000000000, 0.0003280500000000 ] - [ 0.0000476100000000, 0.0006823800000000, 0.0000156300000000 ] - [ 0.0001220000000000, -0.0005047800000000, -0.0002243200000000 ] - [ -0.0001455200000000, 0.0002768000000000, -0.0004387100000000 ] - [ -0.0000829100000000, -0.0002349000000000, -0.0000943500000000 ] - [ 0.0022683800000000, 0.0019216100000000, 0.0004272600000000 ] - [ -0.0003400200000000, -0.0008705000000000, 0.0003280500000000 ] - [ -0.0000476100000000, 0.0006823800000000, 0.0000156300000000 ] - [ -0.0001220000000000, -0.0005047800000000, -0.0002243200000000 ] - [ 0.0001455200000000, 0.0002768000000000, -0.0004387100000000 ] - [ 0.0000829100000000, -0.0002349000000000, -0.0000943500000000 ] - [ -0.0017378400000000, 0.0015843600000000, 0.0003309000000000 ] - [ 0.0001956900000000, -0.0007415200000000, 0.0003623600000000 ] - [ 0.0000621300000000, 0.0002371300000000, -0.0004196600000000 ] - [ 0.0000116500000000, -0.0002098700000000, -0.0001597400000000 ] - [ 0.0000842500000000, 0.0009146400000000, 0.0002042300000000 ] - [ 0.0002505000000000, -0.0006377300000000, -0.0002045800000000 ] - [ 0.0017378400000000, 0.0015843600000000, 0.0003309000000000 ] - [ -0.0001956900000000, -0.0007415200000000, 0.0003623600000000 ] - [ -0.0000621300000000, 0.0002371300000000, -0.0004196600000000 ] - [ -0.0000116500000000, -0.0002098700000000, -0.0001597400000000 ] - [ -0.0000842500000000, 0.0009146400000000, 0.0002042300000000 ] - [ -0.0002505000000000, -0.0006377300000000, -0.0002045800000000 ] - [ 0.0000000000000000, 0.1437865500000000, 0.0509646600000000 ] - [ 0.0000000000000000, -0.0046637900000000, 0.0005853500000000 ] - [ 0.0000000000000000, 0.0018811000000000, 0.0010331700000000 ] - [ 0.0000000000000000, -0.0018819700000000, -0.0009028900000000 ] - [ 0.0000000000000000, 0.0012997800000000, -0.0030231200000000 ] - [ 0.0000000000000000, -0.0004581000000000, -0.0015412200000000 ] - [ 0.0000000000000000, 0.0472401700000000, 0.0275596800000000 ] - [ 0.0000000000000000, -0.0042133500000000, -0.0002706300000000 ] - [ 0.0000000000000000, 0.0003964000000000, -0.0023757700000000 ] - [ 0.0000000000000000, -0.0011915900000000, -0.0016521000000000 ] - [ 0.0000000000000000, 0.0115548800000000, -0.0016598900000000 ] - [ 0.0000000000000000, -0.0040687000000000, -0.0013395200000000 ] - [ 0.0000000000000000, 0.0001256800000000, 0.0001314700000000 ] - [ 0.0000000000000000, -0.0000948500000000, -0.0007162400000000 ] - [ 0.0000000000000000, -0.0001417700000000, -0.0014826400000000 ] - [ 0.0000000000000000, 0.0000635600000000, -0.0002781100000000 ] - [ 0.0000000000000000, 0.0009611400000000, -0.0013586400000000 ] - [ 0.0000000000000000, -0.0000011500000000, -0.0016923500000000 ] - [ 0.0000000000000000, -0.0004354700000000, 0.0004975000000000 ] - [ 0.0000000000000000, -0.0012082300000000, -0.0003822200000000 ] - [ 0.0000000000000000, -0.0001509600000000, -0.0011594300000000 ] - [ 0.0000000000000000, -0.0008379300000000, -0.0018497000000000 ] - [ 0.0000000000000000, -0.0013927100000000, -0.0018330900000000 ] - [ 0.0000000000000000, -0.0010293900000000, -0.0005311300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.2482173800000000, 0.1401397500000000 ] - [ 0.0000000000000000, -0.0028657000000000, 0.0007147100000000 ] - [ 0.0000000000000000, 0.0021184400000000, 0.0007484600000000 ] - [ 0.0000000000000000, -0.0010333900000000, 0.0005236500000000 ] - [ 0.0000000000000000, 0.0021240700000000, -0.0002111700000000 ] - [ 0.0000000000000000, -0.0010338400000000, 0.0000034000000000 ] - [ 0.0000000000000000, 0.0044300100000000, -0.0133970300000000 ] - [ 0.0000000000000000, -0.0025799900000000, 0.0027644400000000 ] - [ 0.0000000000000000, 0.0044719000000000, 0.0143611900000000 ] - [ 0.0000000000000000, -0.0025840400000000, 0.0016582100000000 ] - [ 0.0000000000000000, 0.0007375300000000, -0.0002077200000000 ] - [ 0.0000000000000000, -0.0005148600000000, 0.0005445700000000 ] - [ -0.0129420300000000, -0.0187870300000000, -0.0078191500000000 ] - [ 0.0000819600000000, -0.0034588600000000, 0.0010562700000000 ] - [ -0.0001342000000000, 0.0002499000000000, 0.0004922600000000 ] - [ -0.0001278200000000, -0.0015023800000000, -0.0008630000000000 ] - [ -0.0000115600000000, 0.0001052000000000, -0.0011699400000000 ] - [ -0.0000876800000000, -0.0004568700000000, -0.0001648600000000 ] - [ 0.0003237800000000, 0.0027495300000000, 0.0024239400000000 ] - [ -0.0002665500000000, -0.0020188800000000, -0.0011995100000000 ] - [ -0.0119731500000000, -0.0031943100000000, -0.0195564100000000 ] - [ -0.0002591300000000, -0.0016993000000000, 0.0010260400000000 ] - [ 0.0001201600000000, 0.0004424500000000, -0.0007274900000000 ] - [ -0.0001415000000000, -0.0002011300000000, -0.0003844000000000 ] - [ 0.0129420300000000, -0.0187870300000000, -0.0078191500000000 ] - [ -0.0000819600000000, -0.0034588600000000, 0.0010562700000000 ] - [ 0.0001342000000000, 0.0002499000000000, 0.0004922600000000 ] - [ 0.0001278200000000, -0.0015023800000000, -0.0008630000000000 ] - [ 0.0000115600000000, 0.0001052000000000, -0.0011699400000000 ] - [ 0.0000876800000000, -0.0004568700000000, -0.0001648600000000 ] - [ -0.0003237800000000, 0.0027495300000000, 0.0024239400000000 ] - [ 0.0002665500000000, -0.0020188800000000, -0.0011995100000000 ] - [ 0.0119731500000000, -0.0031943100000000, -0.0195564100000000 ] - [ 0.0002591300000000, -0.0016993000000000, 0.0010260400000000 ] - [ -0.0001201600000000, 0.0004424500000000, -0.0007274900000000 ] - [ 0.0001415000000000, -0.0002011300000000, -0.0003844000000000 ] - [ 0.0000000000000000, 0.0001383700000000, 0.0018792300000000 ] - [ 0.0000000000000000, 0.0001373400000000, 0.0015242000000000 ] - [ 0.0000000000000000, 0.0002157200000000, 0.0011163900000000 ] - [ 0.0000000000000000, -0.0004274300000000, 0.0002563200000000 ] - [ 0.0000000000000000, -0.0004278000000000, 0.0000530000000000 ] - [ 0.0000000000000000, 0.0002137600000000, 0.0010538100000000 ] - [ 0.0000000000000000, -0.0005649300000000, 0.0017898800000000 ] - [ 0.0000000000000000, -0.0005614300000000, 0.0009149200000000 ] - [ 0.0000000000000000, -0.0005661100000000, 0.0009524600000000 ] - [ 0.0000000000000000, -0.0005609800000000, 0.0017522700000000 ] - [ 0.0000000000000000, -0.0000339800000000, 0.0004180500000000 ] - [ 0.0000000000000000, -0.0000548800000000, 0.0005720200000000 ] - [ -0.0008986400000000, 0.0010258600000000, 0.0008544100000000 ] - [ 0.0003912300000000, -0.0012644800000000, 0.0001912500000000 ] - [ -0.0006829300000000, 0.0002492500000000, -0.0008791900000000 ] - [ -0.0000377000000000, -0.0005199800000000, 0.0000727400000000 ] - [ 0.0000746800000000, 0.0002927700000000, -0.0002638100000000 ] - [ 0.0000612300000000, -0.0004699500000000, -0.0004145700000000 ] - [ -0.0009638600000000, 0.0005614500000000, -0.0009193200000000 ] - [ 0.0000146400000000, -0.0004108700000000, 0.0001599000000000 ] - [ -0.0003760600000000, 0.0011465000000000, 0.0009996500000000 ] - [ 0.0003129200000000, -0.0008330500000000, 0.0000627000000000 ] - [ -0.0000346100000000, 0.0004173100000000, -0.0003502200000000 ] - [ -0.0000598300000000, -0.0001725900000000, -0.0004337500000000 ] - [ 0.0008986400000000, 0.0010258600000000, 0.0008544100000000 ] - [ -0.0003912300000000, -0.0012644800000000, 0.0001912500000000 ] - [ 0.0006829300000000, 0.0002492500000000, -0.0008791900000000 ] - [ 0.0000377000000000, -0.0005199800000000, 0.0000727400000000 ] - [ -0.0000746800000000, 0.0002927700000000, -0.0002638100000000 ] - [ -0.0000612300000000, -0.0004699500000000, -0.0004145700000000 ] - [ 0.0009638600000000, 0.0005614500000000, -0.0009193200000000 ] - [ -0.0000146400000000, -0.0004108700000000, 0.0001599000000000 ] - [ 0.0003760600000000, 0.0011465000000000, 0.0009996500000000 ] - [ -0.0003129200000000, -0.0008330500000000, 0.0000627000000000 ] - [ 0.0000346100000000, 0.0004173100000000, -0.0003502200000000 ] - [ 0.0000598300000000, -0.0001725900000000, -0.0004337500000000 ] - [ -0.0004478300000000, -0.0039401500000000, -0.0016334100000000 ] - [ -0.0006142500000000, 0.0030317700000000, -0.0003363100000000 ] - [ 0.0002597500000000, -0.0000533100000000, 0.0021151800000000 ] - [ -0.0000449400000000, 0.0002146300000000, -0.0002756000000000 ] - [ -0.0001177200000000, -0.0001937900000000, 0.0000029800000000 ] - [ -0.0001048700000000, 0.0002300500000000, 0.0004901200000000 ] - [ 0.0004478300000000, -0.0039401500000000, -0.0016334100000000 ] - [ 0.0006142500000000, 0.0030317700000000, -0.0003363100000000 ] - [ -0.0002597500000000, -0.0000533100000000, 0.0021151800000000 ] - [ 0.0000449400000000, 0.0002146300000000, -0.0002756000000000 ] - [ 0.0001177200000000, -0.0001937900000000, 0.0000029800000000 ] - [ 0.0001048700000000, 0.0002300500000000, 0.0004901200000000 ] - [ 0.0010440900000000, -0.0000087900000000, -0.0029868000000000 ] - [ -0.0005964600000000, 0.0025368200000000, 0.0002281500000000 ] - [ 0.0000756000000000, -0.0000643500000000, 0.0002524800000000 ] - [ 0.0000291400000000, 0.0001216800000000, 0.0004310400000000 ] - [ 0.0010351900000000, 0.0003389700000000, 0.0025738900000000 ] - [ -0.0000872600000000, 0.0004397300000000, -0.0006694800000000 ] - [ -0.0010440900000000, -0.0000087900000000, -0.0029868000000000 ] - [ 0.0005964600000000, 0.0025368200000000, 0.0002281500000000 ] - [ -0.0000756000000000, -0.0000643500000000, 0.0002524800000000 ] - [ -0.0000291400000000, 0.0001216800000000, 0.0004310400000000 ] - [ -0.0010351900000000, 0.0003389700000000, 0.0025738900000000 ] - [ 0.0000872600000000, 0.0004397300000000, -0.0006694800000000 ] - [ 0.0021918500000000, -0.0019399500000000, -0.0004276200000000 ] - [ -0.0004242300000000, 0.0008686100000000, -0.0003242400000000 ] - [ -0.0001384800000000, -0.0006899700000000, -0.0000088700000000 ] - [ -0.0002091100000000, 0.0005019200000000, 0.0002314000000000 ] - [ 0.0000603300000000, -0.0002834500000000, 0.0004501000000000 ] - [ -0.0000022100000000, 0.0002307500000000, 0.0001031500000000 ] - [ -0.0021918500000000, -0.0019399500000000, -0.0004276200000000 ] - [ 0.0004242300000000, 0.0008686100000000, -0.0003242400000000 ] - [ 0.0001384800000000, -0.0006899700000000, -0.0000088700000000 ] - [ 0.0002091100000000, 0.0005019200000000, 0.0002314000000000 ] - [ -0.0000603300000000, -0.0002834500000000, 0.0004501000000000 ] - [ 0.0000022100000000, 0.0002307500000000, 0.0001031500000000 ] - [ 0.0018398700000000, -0.0015852200000000, -0.0003268800000000 ] - [ -0.0001109900000000, 0.0007491600000000, -0.0003603600000000 ] - [ 0.0000246800000000, -0.0002326800000000, 0.0004298600000000 ] - [ 0.0000744500000000, 0.0002151800000000, 0.0001681200000000 ] - [ -0.0000009500000000, -0.0009142300000000, -0.0001974500000000 ] - [ -0.0001667300000000, 0.0006457300000000, 0.0002134900000000 ] - [ -0.0018398700000000, -0.0015852200000000, -0.0003268800000000 ] - [ 0.0001109900000000, 0.0007491600000000, -0.0003603600000000 ] - [ -0.0000246800000000, -0.0002326800000000, 0.0004298600000000 ] - [ -0.0000744500000000, 0.0002151800000000, 0.0001681200000000 ] - [ 0.0000009500000000, -0.0009142300000000, -0.0001974500000000 ] - [ 0.0001667300000000, 0.0006457300000000, 0.0002134900000000 ] - [ 0.0000000000000000, -0.1509459400000000, -0.0579925400000000 ] - [ 0.0000000000000000, 0.0057050200000000, -0.0023832400000000 ] - [ 0.0000000000000000, -0.0008606300000000, -0.0027331600000000 ] - [ 0.0000000000000000, 0.0029391800000000, -0.0008970700000000 ] - [ 0.0000000000000000, -0.0002605700000000, 0.0012514400000000 ] - [ 0.0000000000000000, 0.0015045100000000, -0.0002438900000000 ] - [ 0.0000000000000000, -0.0484589500000000, -0.0290838400000000 ] - [ 0.0000000000000000, 0.0031832700000000, -0.0015408900000000 ] - [ 0.0000000000000000, -0.0014374300000000, 0.0006093900000000 ] - [ 0.0000000000000000, 0.0001476400000000, -0.0001355200000000 ] - [ 0.0000000000000000, -0.0126420400000000, -0.0001216700000000 ] - [ 0.0000000000000000, 0.0030381300000000, -0.0004454400000000 ] - [ 0.0000000000000000, 0.0009176900000000, -0.0019324800000000 ] - [ 0.0000000000000000, 0.0011374700000000, -0.0010814700000000 ] - [ 0.0000000000000000, 0.0011905800000000, -0.0003125000000000 ] - [ 0.0000000000000000, 0.0009785100000000, -0.0015217800000000 ] - [ 0.0000000000000000, 0.0000790600000000, -0.0004296000000000 ] - [ 0.0000000000000000, 0.0010446200000000, -0.0000933400000000 ] - [ 0.0000000000000000, -0.0006130600000000, -0.0023075300000000 ] - [ 0.0000000000000000, 0.0001700100000000, -0.0014199800000000 ] - [ 0.0000000000000000, -0.0008964700000000, -0.0006310400000000 ] - [ 0.0000000000000000, -0.0002031000000000, 0.0000618900000000 ] - [ 0.0000000000000000, 0.0003561900000000, 0.0000476300000000 ] - [ 0.0000000000000000, -0.0000082000000000, -0.0012614400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.1368227200000000, -0.2957537600000000 ] - [ 0.0000000000000000, 0.0004989300000000, -0.0003809400000000 ] - [ 0.0000000000000000, 0.0014155100000000, 0.0071408000000000 ] - [ 0.0000000000000000, 0.0011983000000000, 0.0019912200000000 ] - [ 0.0000000000000000, 0.0004464700000000, 0.0071205100000000 ] - [ 0.0000000000000000, 0.0006856100000000, 0.0019975100000000 ] - [ 0.0000000000000000, 0.0130458300000000, 0.0315038600000000 ] - [ 0.0000000000000000, 0.0004524100000000, -0.0000301000000000 ] - [ 0.0000000000000000, -0.0146611400000000, 0.0320541100000000 ] - [ 0.0000000000000000, 0.0015658800000000, -0.0000348200000000 ] - [ 0.0000000000000000, -0.0014073100000000, 0.0051322400000000 ] - [ 0.0000000000000000, -0.0006576000000000, 0.0026083700000000 ] - [ 0.0052909700000000, 0.0095539700000000, -0.0065880500000000 ] - [ 0.0002230400000000, 0.0000362900000000, -0.0020755600000000 ] - [ -0.0023478100000000, -0.0026863300000000, 0.0030650700000000 ] - [ 0.0000721900000000, 0.0015137000000000, 0.0009917000000000 ] - [ 0.0006250600000000, 0.0006792300000000, 0.0023211800000000 ] - [ 0.0000264700000000, -0.0006591600000000, 0.0009780300000000 ] - [ -0.0030491600000000, -0.0037258500000000, 0.0037056100000000 ] - [ -0.0000699400000000, 0.0013578000000000, 0.0003153500000000 ] - [ 0.0131750200000000, 0.0132366400000000, 0.0149657200000000 ] - [ 0.0000936200000000, 0.0003893400000000, -0.0014304900000000 ] - [ 0.0002978900000000, 0.0002836500000000, 0.0021517100000000 ] - [ 0.0000794500000000, 0.0000665400000000, 0.0009509100000000 ] - [ -0.0052909700000000, 0.0095539700000000, -0.0065880500000000 ] - [ -0.0002230400000000, 0.0000362900000000, -0.0020755600000000 ] - [ 0.0023478100000000, -0.0026863300000000, 0.0030650700000000 ] - [ -0.0000721900000000, 0.0015137000000000, 0.0009917000000000 ] - [ -0.0006250600000000, 0.0006792300000000, 0.0023211800000000 ] - [ -0.0000264700000000, -0.0006591600000000, 0.0009780300000000 ] - [ 0.0030491600000000, -0.0037258500000000, 0.0037056100000000 ] - [ 0.0000699400000000, 0.0013578000000000, 0.0003153500000000 ] - [ -0.0131750200000000, 0.0132366400000000, 0.0149657200000000 ] - [ -0.0000936200000000, 0.0003893400000000, -0.0014304900000000 ] - [ -0.0002978900000000, 0.0002836500000000, 0.0021517100000000 ] - [ -0.0000794500000000, 0.0000665400000000, 0.0009509100000000 ] - [ 0.0000000000000000, -0.0003164700000000, -0.0006431900000000 ] - [ 0.0000000000000000, -0.0006723500000000, -0.0006418700000000 ] - [ 0.0000000000000000, 0.0001485100000000, 0.0015222400000000 ] - [ 0.0000000000000000, 0.0011491700000000, 0.0021546600000000 ] - [ 0.0000000000000000, 0.0009493100000000, 0.0021579700000000 ] - [ 0.0000000000000000, 0.0000907100000000, 0.0015251500000000 ] - [ 0.0000000000000000, -0.0002563500000000, 0.0002953700000000 ] - [ 0.0000000000000000, 0.0005435600000000, 0.0004559000000000 ] - [ 0.0000000000000000, 0.0005857300000000, 0.0002905500000000 ] - [ 0.0000000000000000, -0.0002883100000000, 0.0004507800000000 ] - [ 0.0000000000000000, -0.0007847700000000, 0.0026319900000000 ] - [ 0.0000000000000000, -0.0006320400000000, 0.0020985500000000 ] - [ -0.0004279600000000, -0.0008046500000000, -0.0019431900000000 ] - [ -0.0001787900000000, 0.0003099100000000, -0.0007273500000000 ] - [ 0.0011173800000000, 0.0000109300000000, 0.0008916100000000 ] - [ 0.0001865500000000, -0.0000321000000000, 0.0000070000000000 ] - [ -0.0005477900000000, -0.0004190300000000, 0.0009882200000000 ] - [ -0.0000947000000000, 0.0000580400000000, 0.0005248600000000 ] - [ 0.0010471600000000, 0.0005752300000000, 0.0002518200000000 ] - [ 0.0002081300000000, -0.0000047600000000, -0.0001743500000000 ] - [ -0.0006010300000000, -0.0008365500000000, -0.0013566800000000 ] - [ -0.0004803700000000, 0.0008071900000000, -0.0007781200000000 ] - [ -0.0001258500000000, -0.0000625700000000, 0.0009274500000000 ] - [ -0.0000051600000000, 0.0002338500000000, 0.0007302600000000 ] - [ 0.0004279600000000, -0.0008046500000000, -0.0019431900000000 ] - [ 0.0001787900000000, 0.0003099100000000, -0.0007273500000000 ] - [ -0.0011173800000000, 0.0000109300000000, 0.0008916100000000 ] - [ -0.0001865500000000, -0.0000321000000000, 0.0000070000000000 ] - [ 0.0005477900000000, -0.0004190300000000, 0.0009882200000000 ] - [ 0.0000947000000000, 0.0000580400000000, 0.0005248600000000 ] - [ -0.0010471600000000, 0.0005752300000000, 0.0002518200000000 ] - [ -0.0002081300000000, -0.0000047600000000, -0.0001743500000000 ] - [ 0.0006010300000000, -0.0008365500000000, -0.0013566800000000 ] - [ 0.0004803700000000, 0.0008071900000000, -0.0007781200000000 ] - [ 0.0001258500000000, -0.0000625700000000, 0.0009274500000000 ] - [ 0.0000051600000000, 0.0002338500000000, 0.0007302600000000 ] - [ -0.0004004000000000, 0.0005855900000000, 0.0059622200000000 ] - [ 0.0003287800000000, -0.0013280200000000, 0.0006385200000000 ] - [ -0.0008713400000000, -0.0005670900000000, -0.0027125500000000 ] - [ -0.0002613600000000, 0.0005583200000000, -0.0000182900000000 ] - [ 0.0004417100000000, 0.0004531100000000, -0.0016322500000000 ] - [ 0.0000927700000000, -0.0003777100000000, -0.0006484500000000 ] - [ 0.0004004000000000, 0.0005855900000000, 0.0059622200000000 ] - [ -0.0003287800000000, -0.0013280200000000, 0.0006385200000000 ] - [ 0.0008713400000000, -0.0005670900000000, -0.0027125500000000 ] - [ 0.0002613600000000, 0.0005583200000000, -0.0000182900000000 ] - [ -0.0004417100000000, 0.0004531100000000, -0.0016322500000000 ] - [ -0.0000927700000000, -0.0003777100000000, -0.0006484500000000 ] - [ 0.0013249800000000, 0.0021316800000000, 0.0024256800000000 ] - [ 0.0006744800000000, -0.0026800500000000, 0.0009636200000000 ] - [ 0.0001199600000000, 0.0001030000000000, -0.0013810900000000 ] - [ 0.0000883500000000, -0.0001468200000000, -0.0009089000000000 ] - [ -0.0019122700000000, -0.0018489100000000, -0.0010721300000000 ] - [ -0.0003237600000000, 0.0011812200000000, 0.0001506700000000 ] - [ -0.0013249800000000, 0.0021316800000000, 0.0024256800000000 ] - [ -0.0006744800000000, -0.0026800500000000, 0.0009636200000000 ] - [ -0.0001199600000000, 0.0001030000000000, -0.0013810900000000 ] - [ -0.0000883500000000, -0.0001468200000000, -0.0009089000000000 ] - [ 0.0019122700000000, -0.0018489100000000, -0.0010721300000000 ] - [ 0.0003237600000000, 0.0011812200000000, 0.0001506700000000 ] - [ -0.0015829700000000, 0.0002473900000000, 0.0012392900000000 ] - [ -0.0000711200000000, -0.0002139200000000, 0.0007007700000000 ] - [ 0.0008364100000000, 0.0004897600000000, -0.0003784700000000 ] - [ 0.0002443600000000, -0.0004049000000000, -0.0002724400000000 ] - [ -0.0004789600000000, -0.0000613900000000, -0.0008186900000000 ] - [ -0.0001745700000000, 0.0000421300000000, -0.0004355900000000 ] - [ 0.0015829700000000, 0.0002473900000000, 0.0012392900000000 ] - [ 0.0000711200000000, -0.0002139200000000, 0.0007007700000000 ] - [ -0.0008364100000000, 0.0004897600000000, -0.0003784700000000 ] - [ -0.0002443600000000, -0.0004049000000000, -0.0002724400000000 ] - [ 0.0004789600000000, -0.0000613900000000, -0.0008186900000000 ] - [ 0.0001745700000000, 0.0000421300000000, -0.0004355900000000 ] - [ -0.0024041400000000, 0.0009273400000000, 0.0011891800000000 ] - [ 0.0000458600000000, -0.0002916600000000, 0.0005076000000000 ] - [ -0.0000762800000000, 0.0000494100000000, -0.0010071800000000 ] - [ -0.0000239000000000, -0.0000587400000000, -0.0004676900000000 ] - [ 0.0015625300000000, 0.0002509200000000, -0.0001082500000000 ] - [ 0.0002526500000000, -0.0002187000000000, -0.0000279300000000 ] - [ 0.0024041400000000, 0.0009273400000000, 0.0011891800000000 ] - [ -0.0000458600000000, -0.0002916600000000, 0.0005076000000000 ] - [ 0.0000762800000000, 0.0000494100000000, -0.0010071800000000 ] - [ 0.0000239000000000, -0.0000587400000000, -0.0004676900000000 ] - [ -0.0015625300000000, 0.0002509200000000, -0.0001082500000000 ] - [ -0.0002526500000000, -0.0002187000000000, -0.0000279300000000 ] - [ 0.0000000000000000, 0.0515370200000000, 0.0621091500000000 ] - [ 0.0000000000000000, -0.0000595100000000, 0.0009807100000000 ] - [ 0.0000000000000000, 0.0048245500000000, -0.0143916300000000 ] - [ 0.0000000000000000, -0.0019685500000000, -0.0009209300000000 ] - [ 0.0000000000000000, -0.0011981000000000, -0.0076754700000000 ] - [ 0.0000000000000000, 0.0009062400000000, -0.0027665100000000 ] - [ 0.0000000000000000, 0.0368023700000000, 0.1513225800000000 ] - [ 0.0000000000000000, -0.0018763900000000, 0.0014420300000000 ] - [ 0.0000000000000000, -0.0004268100000000, -0.0070327300000000 ] - [ 0.0000000000000000, -0.0004047300000000, -0.0027160000000000 ] - [ 0.0000000000000000, 0.0111608500000000, -0.0148292000000000 ] - [ 0.0000000000000000, -0.0021329000000000, -0.0014611300000000 ] - [ 0.0000000000000000, 0.0014394800000000, 0.0006625000000000 ] - [ 0.0000000000000000, 0.0004838600000000, 0.0003093500000000 ] - [ 0.0000000000000000, -0.0010664500000000, -0.0011379700000000 ] - [ 0.0000000000000000, 0.0003526900000000, -0.0006945500000000 ] - [ 0.0000000000000000, 0.0014446200000000, -0.0025619700000000 ] - [ 0.0000000000000000, 0.0001841700000000, -0.0023404100000000 ] - [ 0.0000000000000000, 0.0004596600000000, 0.0011115000000000 ] - [ 0.0000000000000000, -0.0009404600000000, 0.0011890900000000 ] - [ 0.0000000000000000, -0.0000461500000000, -0.0020693700000000 ] - [ 0.0000000000000000, -0.0005302000000000, -0.0027118400000000 ] - [ 0.0000000000000000, -0.0020874900000000, -0.0016036300000000 ] - [ 0.0000000000000000, -0.0005411500000000, -0.0010214500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.1359457900000000, 0.2870051600000000 ] - [ 0.0000000000000000, -0.0001171100000000, 0.0024096500000000 ] - [ 0.0000000000000000, -0.0010271800000000, -0.0050677200000000 ] - [ 0.0000000000000000, -0.0008217400000000, 0.0000456200000000 ] - [ 0.0000000000000000, -0.0000656000000000, -0.0050867600000000 ] - [ 0.0000000000000000, -0.0003032400000000, 0.0000524500000000 ] - [ 0.0000000000000000, -0.0137614300000000, -0.0299992800000000 ] - [ 0.0000000000000000, -0.0008171600000000, 0.0020653300000000 ] - [ 0.0000000000000000, 0.0140071400000000, -0.0294491500000000 ] - [ 0.0000000000000000, -0.0019247000000000, 0.0020597600000000 ] - [ 0.0000000000000000, 0.0010279900000000, -0.0030825100000000 ] - [ 0.0000000000000000, 0.0002833300000000, -0.0005662000000000 ] - [ -0.0051656500000000, -0.0096291000000000, 0.0065680600000000 ] - [ -0.0001781400000000, -0.0002589600000000, 0.0019408200000000 ] - [ 0.0023637900000000, 0.0024397200000000, -0.0031658300000000 ] - [ -0.0000293600000000, -0.0017271500000000, -0.0011168000000000 ] - [ -0.0005882600000000, -0.0009062500000000, -0.0024459800000000 ] - [ 0.0000160100000000, 0.0004399600000000, -0.0011020200000000 ] - [ 0.0030236700000000, 0.0039591500000000, -0.0038467500000000 ] - [ 0.0000290100000000, -0.0011238900000000, -0.0004301600000000 ] - [ -0.0129825000000000, -0.0128073900000000, -0.0149087000000000 ] - [ -0.0001349600000000, -0.0001621200000000, 0.0012874400000000 ] - [ -0.0003359600000000, -0.0000587100000000, -0.0022709500000000 ] - [ -0.0001207900000000, 0.0001530100000000, -0.0010745700000000 ] - [ 0.0051656500000000, -0.0096291000000000, 0.0065680600000000 ] - [ 0.0001781400000000, -0.0002589600000000, 0.0019408200000000 ] - [ -0.0023637900000000, 0.0024397200000000, -0.0031658300000000 ] - [ 0.0000293600000000, -0.0017271500000000, -0.0011168000000000 ] - [ 0.0005882600000000, -0.0009062500000000, -0.0024459800000000 ] - [ -0.0000160100000000, 0.0004399600000000, -0.0011020200000000 ] - [ -0.0030236700000000, 0.0039591500000000, -0.0038467500000000 ] - [ -0.0000290100000000, -0.0011238900000000, -0.0004301600000000 ] - [ 0.0129825000000000, -0.0128073900000000, -0.0149087000000000 ] - [ 0.0001349600000000, -0.0001621200000000, 0.0012874400000000 ] - [ 0.0003359600000000, -0.0000587100000000, -0.0022709500000000 ] - [ 0.0001207900000000, 0.0001530100000000, -0.0010745700000000 ] - [ 0.0000000000000000, 0.0006880800000000, 0.0026683700000000 ] - [ 0.0000000000000000, 0.0010381800000000, 0.0026691800000000 ] - [ 0.0000000000000000, 0.0002223900000000, 0.0005125300000000 ] - [ 0.0000000000000000, -0.0007717000000000, -0.0001151400000000 ] - [ 0.0000000000000000, -0.0005715300000000, -0.0001111100000000 ] - [ 0.0000000000000000, 0.0002840800000000, 0.0005163400000000 ] - [ 0.0000000000000000, -0.0001204500000000, 0.0017439900000000 ] - [ 0.0000000000000000, -0.0009153500000000, 0.0015828900000000 ] - [ 0.0000000000000000, -0.0009544000000000, 0.0017386200000000 ] - [ 0.0000000000000000, -0.0000822000000000, 0.0015764300000000 ] - [ 0.0000000000000000, 0.0004102300000000, -0.0005901700000000 ] - [ 0.0000000000000000, 0.0002550400000000, -0.0000560100000000 ] - [ 0.0004647600000000, 0.0005731600000000, 0.0018103000000000 ] - [ 0.0002193400000000, -0.0005248100000000, 0.0005963000000000 ] - [ -0.0010664300000000, -0.0002322000000000, -0.0010168200000000 ] - [ -0.0001405800000000, -0.0001889200000000, -0.0001373800000000 ] - [ 0.0005937500000000, 0.0001957400000000, -0.0011121100000000 ] - [ 0.0001397600000000, -0.0002777100000000, -0.0006482700000000 ] - [ -0.0010865500000000, -0.0003561500000000, -0.0003700700000000 ] - [ -0.0002522600000000, 0.0002280900000000, 0.0000482000000000 ] - [ 0.0005564000000000, 0.0010527900000000, 0.0012145700000000 ] - [ 0.0004338100000000, -0.0005808900000000, 0.0006446500000000 ] - [ 0.0000783800000000, 0.0002816900000000, -0.0010514200000000 ] - [ -0.0000397400000000, -0.0000112600000000, -0.0008553200000000 ] - [ -0.0004647600000000, 0.0005731600000000, 0.0018103000000000 ] - [ -0.0002193400000000, -0.0005248100000000, 0.0005963000000000 ] - [ 0.0010664300000000, -0.0002322000000000, -0.0010168200000000 ] - [ 0.0001405800000000, -0.0001889200000000, -0.0001373800000000 ] - [ -0.0005937500000000, 0.0001957400000000, -0.0011121100000000 ] - [ -0.0001397600000000, -0.0002777100000000, -0.0006482700000000 ] - [ 0.0010865500000000, -0.0003561500000000, -0.0003700700000000 ] - [ 0.0002522600000000, 0.0002280900000000, 0.0000482000000000 ] - [ -0.0005564000000000, 0.0010527900000000, 0.0012145700000000 ] - [ -0.0004338100000000, -0.0005808900000000, 0.0006446500000000 ] - [ -0.0000783800000000, 0.0002816900000000, -0.0010514200000000 ] - [ 0.0000397400000000, -0.0000112600000000, -0.0008553200000000 ] - [ 0.0003201200000000, -0.0005717200000000, -0.0059222200000000 ] - [ -0.0004090800000000, 0.0012992500000000, -0.0006279200000000 ] - [ 0.0007811000000000, 0.0005570000000000, 0.0027118600000000 ] - [ 0.0001738800000000, -0.0005584000000000, 0.0000278400000000 ] - [ -0.0005287000000000, -0.0004591900000000, 0.0016361200000000 ] - [ -0.0001788700000000, 0.0003739800000000, 0.0006495700000000 ] - [ -0.0003201200000000, -0.0005717200000000, -0.0059222200000000 ] - [ 0.0004090800000000, 0.0012992500000000, -0.0006279200000000 ] - [ -0.0007811000000000, 0.0005570000000000, 0.0027118600000000 ] - [ -0.0001738800000000, -0.0005584000000000, 0.0000278400000000 ] - [ 0.0005287000000000, -0.0004591900000000, 0.0016361200000000 ] - [ 0.0001788700000000, 0.0003739800000000, 0.0006495700000000 ] - [ -0.0012314200000000, -0.0021142100000000, -0.0023839900000000 ] - [ -0.0005865200000000, 0.0026743300000000, -0.0009513800000000 ] - [ -0.0000321000000000, -0.0000958000000000, 0.0013821600000000 ] - [ -0.0000018500000000, 0.0001498000000000, 0.0009124700000000 ] - [ 0.0020011400000000, 0.0018604600000000, 0.0010541900000000 ] - [ 0.0004094300000000, -0.0011780100000000, -0.0001470900000000 ] - [ 0.0012314200000000, -0.0021142100000000, -0.0023839900000000 ] - [ 0.0005865200000000, 0.0026743300000000, -0.0009513800000000 ] - [ 0.0000321000000000, -0.0000958000000000, 0.0013821600000000 ] - [ 0.0000018500000000, 0.0001498000000000, 0.0009124700000000 ] - [ -0.0020011400000000, 0.0018604600000000, 0.0010541900000000 ] - [ -0.0004094300000000, -0.0011780100000000, -0.0001470900000000 ] - [ 0.0014756800000000, -0.0002447300000000, -0.0012310600000000 ] - [ -0.0000147700000000, 0.0002059000000000, -0.0006918300000000 ] - [ -0.0009148600000000, -0.0004919000000000, 0.0003859800000000 ] - [ -0.0003287600000000, 0.0003970700000000, 0.0002790300000000 ] - [ 0.0003952500000000, 0.0000577400000000, 0.0008204700000000 ] - [ 0.0000892100000000, -0.0000484200000000, 0.0004395200000000 ] - [ -0.0014756800000000, -0.0002447300000000, -0.0012310600000000 ] - [ 0.0000147700000000, 0.0002059000000000, -0.0006918300000000 ] - [ 0.0009148600000000, -0.0004919000000000, 0.0003859800000000 ] - [ 0.0003287600000000, 0.0003970700000000, 0.0002790300000000 ] - [ -0.0003952500000000, 0.0000577400000000, 0.0008204700000000 ] - [ -0.0000892100000000, -0.0000484200000000, 0.0004395200000000 ] - [ 0.0024816400000000, -0.0009153900000000, -0.0011709000000000 ] - [ 0.0000405000000000, 0.0002935900000000, -0.0004961300000000 ] - [ 0.0001598700000000, -0.0000443400000000, 0.0010101500000000 ] - [ 0.0001084600000000, 0.0000637300000000, 0.0004723300000000 ] - [ -0.0014782200000000, -0.0002423200000000, 0.0001096600000000 ] - [ -0.0001651300000000, 0.0002206500000000, 0.0000308100000000 ] - [ -0.0024816400000000, -0.0009153900000000, -0.0011709000000000 ] - [ -0.0000405000000000, 0.0002935900000000, -0.0004961300000000 ] - [ -0.0001598700000000, -0.0000443400000000, 0.0010101500000000 ] - [ -0.0001084600000000, 0.0000637300000000, 0.0004723300000000 ] - [ 0.0014782200000000, -0.0002423200000000, 0.0001096600000000 ] - [ 0.0001651300000000, 0.0002206500000000, 0.0000308100000000 ] - [ 0.0000000000000000, -0.0527781000000000, -0.0644196500000000 ] - [ 0.0000000000000000, 0.0010929300000000, -0.0027741400000000 ] - [ 0.0000000000000000, -0.0037647400000000, 0.0125123800000000 ] - [ 0.0000000000000000, 0.0029975100000000, -0.0008676800000000 ] - [ 0.0000000000000000, 0.0022470200000000, 0.0058823600000000 ] - [ 0.0000000000000000, 0.0001285200000000, 0.0009612500000000 ] - [ 0.0000000000000000, -0.0344119300000000, -0.1424941000000000 ] - [ 0.0000000000000000, 0.0008182700000000, -0.0032176200000000 ] - [ 0.0000000000000000, -0.0006205300000000, 0.0052128700000000 ] - [ 0.0000000000000000, -0.0006355500000000, 0.0009166700000000 ] - [ 0.0000000000000000, -0.0122281100000000, 0.0130635400000000 ] - [ 0.0000000000000000, 0.0010734300000000, -0.0003458400000000 ] - [ 0.0000000000000000, -0.0003848300000000, -0.0024566000000000 ] - [ 0.0000000000000000, 0.0005569000000000, -0.0021042100000000 ] - [ 0.0000000000000000, 0.0021006700000000, -0.0006542000000000 ] - [ 0.0000000000000000, 0.0006879900000000, -0.0010911400000000 ] - [ 0.0000000000000000, -0.0004038900000000, 0.0007598700000000 ] - [ 0.0000000000000000, 0.0008553500000000, 0.0005356100000000 ] - [ 0.0000000000000000, -0.0015007100000000, -0.0028889200000000 ] - [ 0.0000000000000000, -0.0001062100000000, -0.0029696600000000 ] - [ 0.0000000000000000, -0.0009893800000000, 0.0002728100000000 ] - [ 0.0000000000000000, -0.0005135500000000, 0.0009117100000000 ] - [ 0.0000000000000000, 0.0010384900000000, -0.0002022700000000 ] - [ 0.0000000000000000, -0.0005017500000000, -0.0007790200000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001322200000000, 0.0130290900000000, 0.0062414000000000 ] - [ -0.0009262500000000, 0.0001241200000000, 0.0012198000000000 ] - [ -0.0001765300000000, 0.0002179400000000, 0.0016245600000000 ] - [ -0.0001320800000000, 0.0002939600000000, 0.0010241500000000 ] - [ -0.0004172200000000, 0.0003491100000000, -0.0013357900000000 ] - [ -0.0005542900000000, 0.0003354800000000, 0.0010712000000000 ] - [ 0.0005530800000000, 0.0118220300000000, -0.0120747600000000 ] - [ -0.0005314800000000, 0.0000533300000000, 0.0009037900000000 ] - [ -0.0012107100000000, -0.0005305200000000, 0.0040481900000000 ] - [ -0.0005261200000000, 0.0000601600000000, 0.0010678700000000 ] - [ -0.0001985900000000, -0.0003280400000000, 0.0007022300000000 ] - [ -0.0000495800000000, -0.0000657500000000, 0.0009187300000000 ] - [ -0.2896077000000000, -0.1320614000000000, 0.0486079300000000 ] - [ -0.0005455600000000, 0.0002245100000000, -0.0000437600000000 ] - [ -0.0010711600000000, -0.0006844300000000, -0.0002212600000000 ] - [ -0.0001459100000000, 0.0000320800000000, -0.0000296700000000 ] - [ -0.0010715100000000, -0.0007140200000000, 0.0000736300000000 ] - [ -0.0001461700000000, 0.0000688400000000, -0.0001309800000000 ] - [ 0.0007477100000000, 0.0022814100000000, -0.0010876600000000 ] - [ -0.0007510900000000, -0.0013338100000000, -0.0010902800000000 ] - [ 0.0007468600000000, 0.0013404800000000, 0.0018233900000000 ] - [ -0.0007506500000000, -0.0011970100000000, 0.0008960600000000 ] - [ 0.0000900000000000, 0.0002222200000000, -0.0001306100000000 ] - [ -0.0000049200000000, 0.0000255800000000, -0.0001061500000000 ] - [ 0.0290673200000000, 0.0046443500000000, -0.0017164700000000 ] - [ -0.0001010000000000, 0.0004608400000000, -0.0000731500000000 ] - [ 0.0000170300000000, -0.0003755800000000, 0.0005340300000000 ] - [ -0.0000412800000000, 0.0001067900000000, 0.0000246100000000 ] - [ 0.0000176200000000, -0.0004658100000000, -0.0008526900000000 ] - [ -0.0000412700000000, 0.0001716100000000, -0.0002372000000000 ] - [ -0.0023102800000000, 0.0014202600000000, -0.0002682000000000 ] - [ -0.0023635100000000, 0.0012660700000000, 0.0009794500000000 ] - [ -0.0023099600000000, 0.0006882300000000, 0.0010645700000000 ] - [ -0.0023620600000000, 0.0014553500000000, -0.0009617000000000 ] - [ -0.0002463700000000, 0.0002398900000000, -0.0001170900000000 ] - [ -0.0001767500000000, 0.0001418500000000, -0.0000930600000000 ] - [ 0.0033826500000000, 0.0011002500000000, 0.0005755900000000 ] - [ 0.0007107400000000, -0.0001800000000000, 0.0008214900000000 ] - [ 0.0002311400000000, 0.0001338100000000, 0.0004510200000000 ] - [ 0.0000974800000000, 0.0001477400000000, 0.0009024600000000 ] - [ 0.0009915900000000, 0.0008856400000000, 0.0021049300000000 ] - [ 0.0001342800000000, 0.0002446200000000, 0.0011814600000000 ] - [ 0.0006933700000000, -0.0005181700000000, 0.0014732100000000 ] - [ 0.0015083900000000, 0.0001679800000000, 0.0015938300000000 ] - [ 0.0002823500000000, -0.0002229800000000, 0.0007901900000000 ] - [ 0.0009843400000000, 0.0007479300000000, -0.0000424000000000 ] - [ 0.0001084900000000, -0.0001482400000000, 0.0010011100000000 ] - [ 0.0000793000000000, -0.0001731000000000, 0.0011203700000000 ] - [ 0.0023592000000000, 0.0006037800000000, -0.0000319500000000 ] - [ 0.0023579300000000, 0.0000352000000000, -0.0000509400000000 ] - [ 0.0004715900000000, -0.0001000600000000, -0.0000519200000000 ] - [ 0.0005023600000000, 0.0001137400000000, -0.0002736100000000 ] - [ 0.0005024300000000, -0.0000751200000000, -0.0001659700000000 ] - [ 0.0004717800000000, 0.0001349100000000, -0.0000205100000000 ] - [ 0.0048294500000000, -0.0000939000000000, 0.0043735200000000 ] - [ 0.0000066400000000, 0.0003998700000000, 0.0001786600000000 ] - [ 0.0048297100000000, 0.0001309500000000, -0.0040821100000000 ] - [ 0.0000069100000000, 0.0003895200000000, -0.0002632600000000 ] - [ -0.0000859300000000, 0.0000063300000000, -0.0001241400000000 ] - [ -0.0000568700000000, 0.0001955000000000, -0.0000894600000000 ] - [ 0.0021679700000000, -0.0031810600000000, 0.0000869200000000 ] - [ 0.0021671200000000, 0.0020586700000000, 0.0000867400000000 ] - [ -0.0000078200000000, -0.0004545800000000, -0.0003557700000000 ] - [ -0.0000365700000000, 0.0001307200000000, -0.0004244600000000 ] - [ -0.0000378500000000, -0.0004322100000000, 0.0001933100000000 ] - [ -0.0000070600000000, 0.0001152900000000, 0.0002199800000000 ] - [ 0.0037632600000000, -0.0002484300000000, -0.0010553700000000 ] - [ 0.0004505500000000, 0.0001514600000000, 0.0000031300000000 ] - [ 0.0037624900000000, -0.0004091700000000, 0.0006285200000000 ] - [ 0.0004501300000000, 0.0001542900000000, -0.0001571900000000 ] - [ 0.0003728100000000, -0.0000707900000000, -0.0001433300000000 ] - [ 0.0001432700000000, 0.0001578000000000, -0.0000972500000000 ] - [ -0.0010254400000000, -0.0014507000000000, 0.0000776700000000 ] - [ -0.0011203700000000, 0.0034339800000000, -0.0000123100000000 ] - [ -0.0002197700000000, -0.0001211700000000, -0.0002955400000000 ] - [ -0.0001574300000000, 0.0001105600000000, -0.0001813200000000 ] - [ -0.0003008700000000, -0.0001960500000000, 0.0003693300000000 ] - [ -0.0001752300000000, 0.0001624100000000, 0.0002255800000000 ] - [ 0.0018864300000000, 0.0006841800000000, 0.0000572000000000 ] - [ 0.0041967900000000, 0.0009121400000000, 0.0000832900000000 ] - [ 0.0003242500000000, -0.0000252500000000, -0.0000854100000000 ] - [ 0.0003012300000000, -0.0000961200000000, 0.0003298600000000 ] - [ 0.0003987000000000, -0.0001116200000000, 0.0001685300000000 ] - [ 0.0002983000000000, -0.0000306800000000, -0.0002483300000000 ] - [ 0.0046693200000000, 0.0002138600000000, 0.0004105400000000 ] - [ 0.0003478400000000, -0.0002527400000000, 0.0000071700000000 ] - [ 0.0002387300000000, 0.0000755400000000, 0.0000698500000000 ] - [ 0.0001417100000000, -0.0000634000000000, 0.0000290500000000 ] - [ 0.0047690500000000, 0.0003779500000000, -0.0024524100000000 ] - [ 0.0003441400000000, -0.0002814300000000, -0.0000271700000000 ] - [ -0.0011418100000000, 0.0006586500000000, -0.0032209600000000 ] - [ -0.0002177900000000, -0.0003653100000000, -0.0001016000000000 ] - [ -0.0001827300000000, 0.0000916800000000, 0.0000682000000000 ] - [ -0.0001169500000000, -0.0000752300000000, 0.0000246800000000 ] - [ -0.0012137700000000, 0.0009165600000000, 0.0029439700000000 ] - [ -0.0002223400000000, -0.0003906000000000, 0.0000718400000000 ] - [ 0.0124720700000000, -0.0031942500000000, 0.0005133500000000 ] - [ 0.0001445400000000, -0.0004815000000000, -0.0000252300000000 ] - [ 0.0001532500000000, 0.0001950400000000, 0.0007949300000000 ] - [ 0.0000398200000000, -0.0001230300000000, 0.0000893000000000 ] - [ 0.0002301500000000, 0.0001858500000000, -0.0006909500000000 ] - [ 0.0000499100000000, -0.0001158300000000, -0.0000603700000000 ] - [ -0.0038240100000000, -0.0006130500000000, -0.0000620500000000 ] - [ -0.0003455500000000, -0.0001312400000000, -0.0000221900000000 ] - [ -0.0003967600000000, 0.0000815200000000, -0.0000171500000000 ] - [ -0.0001064800000000, -0.0000749300000000, 0.0000076600000000 ] - [ -0.0004353200000000, 0.0001021600000000, 0.0001069700000000 ] - [ -0.0001091200000000, -0.0000736100000000, 0.0000215600000000 ] - [ -0.0009630700000000, -0.0001403500000000, -0.0003508000000000 ] - [ -0.0005417300000000, 0.0000372800000000, -0.0000311300000000 ] - [ -0.0001217900000000, 0.0000259000000000, 0.0000364400000000 ] - [ -0.0000900100000000, -0.0000350700000000, 0.0000260800000000 ] - [ -0.0010059100000000, -0.0001838200000000, 0.0003078900000000 ] - [ -0.0005517800000000, 0.0000461700000000, 0.0000049000000000 ] - [ -0.0001350000000000, 0.0015474000000000, 0.0010858700000000 ] - [ -0.0001308000000000, -0.0007978400000000, 0.0006689600000000 ] - [ 0.0000789500000000, 0.0000681000000000, 0.0000368100000000 ] - [ 0.0000478500000000, -0.0000599300000000, 0.0000269900000000 ] - [ 0.0000647800000000, 0.0013340900000000, -0.0010181200000000 ] - [ -0.0000925000000000, -0.0007194900000000, -0.0006634700000000 ] - [ 0.2313660500000000, 0.1061543700000000, -0.0369377300000000 ] - [ 0.0006018900000000, 0.0001613500000000, -0.0007791900000000 ] - [ 0.0010118900000000, 0.0016661700000000, -0.0028615600000000 ] - [ 0.0002051500000000, 0.0003106100000000, -0.0009262200000000 ] - [ 0.0009601700000000, 0.0019334100000000, 0.0006245400000000 ] - [ 0.0001408700000000, 0.0002824400000000, -0.0007783900000000 ] - [ 0.0024178200000000, -0.0030343200000000, -0.0090710200000000 ] - [ 0.0028457300000000, -0.0004166300000000, -0.0015322500000000 ] - [ 0.0001272300000000, -0.0007831200000000, -0.0008983000000000 ] - [ 0.0001833600000000, -0.0006433600000000, -0.0008587400000000 ] - [ 0.0023417200000000, -0.0079122900000000, 0.0033899100000000 ] - [ 0.0027204800000000, -0.0004354400000000, -0.0006278200000000 ] - [ -0.0033416100000000, 0.0012510200000000, -0.0012701500000000 ] - [ -0.0042739300000000, -0.0010969000000000, -0.0016024200000000 ] - [ -0.0004863500000000, 0.0005668300000000, -0.0006076400000000 ] - [ -0.0004297500000000, -0.0000201200000000, 0.0002400400000000 ] - [ -0.0004704400000000, 0.0004346100000000, -0.0009915000000000 ] - [ -0.0002940700000000, -0.0001671700000000, -0.0014208500000000 ] - [ -0.0061701400000000, -0.0015249200000000, 0.0005629600000000 ] - [ -0.0004454100000000, -0.0004799200000000, -0.0005490200000000 ] - [ -0.0002485600000000, -0.0001667100000000, -0.0005850300000000 ] - [ -0.0000798600000000, -0.0005302700000000, -0.0008043700000000 ] - [ -0.0057388100000000, -0.0014618000000000, -0.0022061100000000 ] - [ -0.0003863800000000, -0.0003619800000000, -0.0012190100000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002151100000000, -0.0126205500000000, -0.0042161400000000 ] - [ 0.0009201500000000, 0.0002540400000000, 0.0008181600000000 ] - [ 0.0001760500000000, 0.0001520800000000, 0.0004099600000000 ] - [ 0.0001314400000000, 0.0000774100000000, 0.0010130200000000 ] - [ 0.0004177300000000, 0.0000222000000000, 0.0033769800000000 ] - [ 0.0005495500000000, 0.0000394300000000, 0.0009709900000000 ] - [ -0.0006350100000000, -0.0121677000000000, 0.0140822800000000 ] - [ 0.0005276900000000, -0.0004225100000000, 0.0011327000000000 ] - [ 0.0011966700000000, 0.0001542400000000, -0.0020264400000000 ] - [ 0.0005224100000000, -0.0004293700000000, 0.0009674200000000 ] - [ 0.0001974600000000, -0.0000443400000000, 0.0013364400000000 ] - [ 0.0000493900000000, -0.0003066300000000, 0.0011194200000000 ] - [ 0.2795129100000000, 0.1236584700000000, -0.0460051000000000 ] - [ 0.0005906400000000, -0.0004446200000000, -0.0000838400000000 ] - [ 0.0011156700000000, 0.0004647400000000, 0.0000888500000000 ] - [ 0.0001897900000000, -0.0002526900000000, -0.0000987700000000 ] - [ 0.0011152900000000, 0.0004934500000000, -0.0001966800000000 ] - [ 0.0001898000000000, -0.0002894400000000, 0.0000041500000000 ] - [ -0.0007982300000000, -0.0020697400000000, 0.0009598100000000 ] - [ 0.0006953000000000, 0.0015494000000000, 0.0009571900000000 ] - [ -0.0007989000000000, -0.0011258600000000, -0.0019597000000000 ] - [ 0.0006956100000000, 0.0014123100000000, -0.0010227800000000 ] - [ -0.0001345800000000, -0.0000033400000000, 0.0000015700000000 ] - [ -0.0000397000000000, 0.0001944400000000, -0.0000226600000000 ] - [ -0.0285337200000000, -0.0047968700000000, 0.0015591500000000 ] - [ 0.0000542900000000, -0.0006808800000000, -0.0000559700000000 ] - [ -0.0000660400000000, 0.0001586700000000, -0.0006634800000000 ] - [ -0.0000030800000000, -0.0003276800000000, -0.0001543400000000 ] - [ -0.0000654300000000, 0.0002476300000000, 0.0007236300000000 ] - [ -0.0000028100000000, -0.0003923900000000, 0.0001091100000000 ] - [ 0.0023559000000000, -0.0012036600000000, 0.0001435900000000 ] - [ 0.0024063400000000, -0.0010228900000000, -0.0010905000000000 ] - [ 0.0023562300000000, -0.0004735800000000, -0.0011942800000000 ] - [ 0.0024076500000000, -0.0012167500000000, 0.0008213700000000 ] - [ 0.0002904400000000, -0.0000209200000000, -0.0000107600000000 ] - [ 0.0002197500000000, 0.0000792400000000, -0.0000340800000000 ] - [ -0.0033896700000000, -0.0007371400000000, 0.0014682000000000 ] - [ -0.0007098400000000, 0.0005541100000000, 0.0012186000000000 ] - [ -0.0002305400000000, 0.0002383300000000, 0.0015921100000000 ] - [ -0.0000970700000000, 0.0002245700000000, 0.0011361900000000 ] - [ -0.0009908000000000, -0.0005186500000000, -0.0000773700000000 ] - [ -0.0001339300000000, 0.0001266600000000, 0.0008545700000000 ] - [ -0.0006924400000000, 0.0001485300000000, 0.0005597700000000 ] - [ -0.0015086400000000, -0.0005426600000000, 0.0004363300000000 ] - [ -0.0002815400000000, -0.0001483700000000, 0.0012498200000000 ] - [ -0.0009834600000000, -0.0011277800000000, 0.0020903500000000 ] - [ -0.0001083600000000, -0.0002243000000000, 0.0010360400000000 ] - [ -0.0000787800000000, -0.0001998800000000, 0.0009163200000000 ] - [ -0.0023132800000000, -0.0008151100000000, -0.0000960200000000 ] - [ -0.0023144700000000, -0.0002650700000000, -0.0000775500000000 ] - [ -0.0004286800000000, -0.0001192500000000, -0.0000738000000000 ] - [ -0.0004594300000000, -0.0003356900000000, 0.0001488900000000 ] - [ -0.0004587400000000, -0.0001441300000000, 0.0000368700000000 ] - [ -0.0004277600000000, -0.0003564900000000, -0.0001089500000000 ] - [ -0.0048724600000000, 0.0003213500000000, -0.0045242000000000 ] - [ -0.0000490500000000, -0.0001801400000000, -0.0003094700000000 ] - [ -0.0048720200000000, 0.0000977400000000, 0.0039774400000000 ] - [ -0.0000486800000000, -0.0001700700000000, 0.0001357000000000 ] - [ 0.0000434400000000, 0.0002147300000000, -0.0000042500000000 ] - [ 0.0000130900000000, 0.0000243000000000, -0.0000392300000000 ] - [ -0.0022069400000000, 0.0029703800000000, -0.0002163300000000 ] - [ -0.0022082200000000, -0.0022961100000000, -0.0002170400000000 ] - [ -0.0000350800000000, 0.0002356100000000, 0.0002281400000000 ] - [ -0.0000043800000000, -0.0003524900000000, 0.0002974500000000 ] - [ -0.0000051000000000, 0.0002123900000000, -0.0003232200000000 ] - [ -0.0000345000000000, -0.0003369400000000, -0.0003494600000000 ] - [ -0.0037144900000000, 0.0004711200000000, 0.0009155500000000 ] - [ -0.0004070700000000, 0.0000676100000000, -0.0001325300000000 ] - [ -0.0037151500000000, 0.0006322300000000, -0.0007440200000000 ] - [ -0.0004074300000000, 0.0000648500000000, 0.0000310300000000 ] - [ -0.0003296500000000, 0.0002919900000000, 0.0000164600000000 ] - [ -0.0000990000000000, 0.0000617000000000, -0.0000301100000000 ] - [ 0.0009470200000000, 0.0014438300000000, -0.0000744400000000 ] - [ 0.0010465200000000, -0.0034204000000000, 0.0000164100000000 ] - [ 0.0001360800000000, 0.0001166500000000, 0.0003006300000000 ] - [ 0.0000741400000000, -0.0001152000000000, 0.0001848100000000 ] - [ 0.0002168700000000, 0.0001911200000000, -0.0003660700000000 ] - [ 0.0000918600000000, -0.0001670300000000, -0.0002209700000000 ] - [ -0.0018078100000000, -0.0006801500000000, -0.0000480500000000 ] - [ -0.0041069900000000, -0.0009158500000000, -0.0000686600000000 ] - [ -0.0002407600000000, 0.0000207800000000, 0.0000957200000000 ] - [ -0.0002179500000000, 0.0000906700000000, -0.0003180600000000 ] - [ -0.0003149900000000, 0.0001071300000000, -0.0001600800000000 ] - [ -0.0002148800000000, 0.0000254400000000, 0.0002547600000000 ] - [ -0.0045854000000000, -0.0002117700000000, -0.0003994100000000 ] - [ -0.0002646400000000, 0.0002584100000000, 0.0000020600000000 ] - [ -0.0001547200000000, -0.0000705600000000, -0.0000607700000000 ] - [ -0.0000571900000000, 0.0000687700000000, -0.0000199300000000 ] - [ -0.0047022200000000, -0.0003758100000000, 0.0024322500000000 ] - [ -0.0002608400000000, 0.0002868900000000, 0.0000362400000000 ] - [ 0.0010654600000000, -0.0006505600000000, 0.0032063200000000 ] - [ 0.0001345100000000, 0.0003715500000000, 0.0001055500000000 ] - [ 0.0000986300000000, -0.0000868600000000, -0.0000642900000000 ] - [ 0.0000323200000000, 0.0000805700000000, -0.0000207400000000 ] - [ 0.0011377300000000, -0.0009115600000000, -0.0029228200000000 ] - [ 0.0001393500000000, 0.0003966000000000, -0.0000677100000000 ] - [ -0.0135427000000000, 0.0035694800000000, -0.0005535600000000 ] - [ -0.0002330400000000, 0.0004782400000000, 0.0000295400000000 ] - [ -0.0002421600000000, -0.0002001200000000, -0.0007925700000000 ] - [ -0.0001265000000000, 0.0001184000000000, -0.0000853000000000 ] - [ -0.0003187700000000, -0.0001910600000000, 0.0006968000000000 ] - [ -0.0001365200000000, 0.0001110100000000, 0.0000645800000000 ] - [ 0.0039048600000000, 0.0006004500000000, 0.0000723700000000 ] - [ 0.0004331800000000, 0.0001285500000000, 0.0000315800000000 ] - [ 0.0004843200000000, -0.0000874100000000, 0.0000232100000000 ] - [ 0.0001927600000000, 0.0000706000000000, 0.0000012000000000 ] - [ 0.0005228000000000, -0.0001079700000000, -0.0000949300000000 ] - [ 0.0001953900000000, 0.0000692200000000, -0.0000118400000000 ] - [ 0.0010503100000000, 0.0001399400000000, 0.0003563300000000 ] - [ 0.0006289800000000, -0.0000288400000000, 0.0000374800000000 ] - [ 0.0002080200000000, -0.0000209200000000, -0.0000273400000000 ] - [ 0.0001762000000000, 0.0000406800000000, -0.0000170900000000 ] - [ 0.0010934500000000, 0.0001845400000000, -0.0002952800000000 ] - [ 0.0006390300000000, -0.0000379200000000, 0.0000071500000000 ] - [ 0.0000444200000000, -0.0015458000000000, -0.0010842300000000 ] - [ 0.0000405800000000, 0.0008067700000000, -0.0006687700000000 ] - [ -0.0001654100000000, -0.0000630500000000, -0.0000328900000000 ] - [ -0.0001343400000000, 0.0000653100000000, -0.0000232000000000 ] - [ -0.0001545200000000, -0.0013321000000000, 0.0010241200000000 ] - [ 0.0000015100000000, 0.0007273300000000, 0.0006708700000000 ] - [ -0.2206494600000000, -0.0975118700000000, 0.0325565600000000 ] - [ -0.0006008600000000, 0.0008745200000000, -0.0010162900000000 ] - [ -0.0010075500000000, -0.0006288300000000, 0.0010808300000000 ] - [ -0.0002046200000000, 0.0007302100000000, -0.0008655600000000 ] - [ -0.0009557600000000, -0.0008943400000000, -0.0024236900000000 ] - [ -0.0001408500000000, 0.0007568000000000, -0.0010184800000000 ] - [ -0.0024137900000000, 0.0020118100000000, 0.0073028200000000 ] - [ -0.0028231500000000, -0.0006342300000000, -0.0002559000000000 ] - [ -0.0001270000000000, -0.0002566500000000, -0.0008942100000000 ] - [ -0.0001822200000000, -0.0003976000000000, -0.0009350000000000 ] - [ -0.0023475400000000, 0.0069023800000000, -0.0052056800000000 ] - [ -0.0026948200000000, -0.0006144000000000, -0.0011716000000000 ] - [ 0.0033392700000000, -0.0002158400000000, -0.0005219900000000 ] - [ 0.0042805800000000, 0.0021608400000000, -0.0001853900000000 ] - [ 0.0004862900000000, 0.0004738800000000, -0.0011897200000000 ] - [ 0.0004283600000000, 0.0010663800000000, -0.0020443900000000 ] - [ 0.0004698000000000, 0.0006067200000000, -0.0008016700000000 ] - [ 0.0002924500000000, 0.0012141200000000, -0.0003693900000000 ] - [ 0.0061704600000000, 0.0004852500000000, -0.0023784600000000 ] - [ 0.0004450600000000, -0.0005626600000000, -0.0012482500000000 ] - [ 0.0002480000000000, -0.0008771500000000, -0.0012113600000000 ] - [ 0.0000795200000000, -0.0005116900000000, -0.0009902400000000 ] - [ 0.0057366000000000, 0.0004224400000000, 0.0004258900000000 ] - [ 0.0003857900000000, -0.0006813500000000, -0.0005723800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0176439100000000, 0.0188556800000000, 0.0106750000000000 ] - [ -0.0011339000000000, 0.0035295400000000, 0.0011687500000000 ] - [ -0.0000591700000000, -0.0000306800000000, 0.0018123700000000 ] - [ -0.0001158700000000, 0.0005319100000000, 0.0004708900000000 ] - [ -0.0001710900000000, -0.0001675400000000, -0.0015422700000000 ] - [ -0.0006566900000000, 0.0015717600000000, 0.0026371600000000 ] - [ 0.0107218000000000, 0.0030184500000000, -0.0120332300000000 ] - [ -0.0005010100000000, 0.0016209700000000, 0.0007400700000000 ] - [ 0.0002422300000000, -0.0028330500000000, 0.0048618300000000 ] - [ -0.0005677900000000, 0.0019373800000000, -0.0002200500000000 ] - [ -0.0000766000000000, -0.0005202400000000, 0.0008488100000000 ] - [ -0.0000096500000000, 0.0001258800000000, 0.0010616100000000 ] - [ -0.1295061100000000, -0.1393043600000000, 0.0295614300000000 ] - [ 0.0003551100000000, 0.0020147900000000, -0.0000912900000000 ] - [ -0.0005825900000000, -0.0012004300000000, 0.0000119600000000 ] - [ 0.0002002500000000, 0.0006726200000000, -0.0001703500000000 ] - [ -0.0005529700000000, -0.0011996700000000, -0.0000208900000000 ] - [ 0.0001637500000000, 0.0006720100000000, -0.0000674100000000 ] - [ 0.0012096900000000, 0.0019866600000000, -0.0010728400000000 ] - [ -0.0013216000000000, 0.0003378400000000, 0.0007133300000000 ] - [ 0.0021607600000000, 0.0019974100000000, 0.0033945400000000 ] - [ -0.0014581500000000, 0.0003380600000000, -0.0008240600000000 ] - [ 0.0000910000000000, 0.0002979800000000, -0.0000581000000000 ] - [ -0.0001058400000000, -0.0000759500000000, -0.0000984300000000 ] - [ -0.0048234200000000, -0.0098033400000000, -0.0002884100000000 ] - [ -0.0005905000000000, 0.0018599400000000, -0.0001121600000000 ] - [ 0.0003352500000000, -0.0009934900000000, 0.0002804200000000 ] - [ -0.0003029700000000, 0.0006554700000000, -0.0001685800000000 ] - [ 0.0002455100000000, -0.0009931400000000, -0.0004248200000000 ] - [ -0.0002379700000000, 0.0006542800000000, -0.0000904100000000 ] - [ -0.0005556300000000, 0.0019289800000000, -0.0016499400000000 ] - [ -0.0013137200000000, 0.0034762900000000, 0.0040830700000000 ] - [ -0.0012928700000000, 0.0019336500000000, 0.0025540800000000 ] - [ -0.0011235300000000, 0.0034765100000000, -0.0039898800000000 ] - [ -0.0001089500000000, 0.0003049200000000, -0.0000644600000000 ] - [ -0.0000104600000000, -0.0000218900000000, -0.0000886800000000 ] - [ 0.0007603000000000, -0.0009462500000000, 0.0003301500000000 ] - [ -0.0001530100000000, 0.0013366400000000, 0.0014363700000000 ] - [ 0.0000481300000000, -0.0002158900000000, 0.0007117400000000 ] - [ 0.0000177800000000, 0.0005451100000000, 0.0011876300000000 ] - [ 0.0000565100000000, -0.0001715300000000, 0.0011409500000000 ] - [ 0.0000439800000000, 0.0005941800000000, 0.0010962000000000 ] - [ -0.0001666700000000, 0.0007541600000000, 0.0003226800000000 ] - [ 0.0005526200000000, -0.0012157000000000, 0.0019609200000000 ] - [ 0.0000059700000000, 0.0003330300000000, 0.0011362000000000 ] - [ 0.0001756800000000, -0.0006350500000000, 0.0005530100000000 ] - [ 0.0000045600000000, 0.0000950400000000, 0.0008964400000000 ] - [ 0.0000556300000000, -0.0004922200000000, 0.0011909800000000 ] - [ 0.0001702700000000, -0.0000720400000000, -0.0001631100000000 ] - [ 0.0007276300000000, -0.0000664400000000, -0.0000168800000000 ] - [ 0.0002679500000000, -0.0001143800000000, 0.0001208100000000 ] - [ 0.0000564600000000, -0.0000667000000000, -0.0002832800000000 ] - [ 0.0002468700000000, -0.0000678600000000, -0.0002292800000000 ] - [ 0.0000319100000000, -0.0001126800000000, 0.0001338000000000 ] - [ -0.0000021600000000, -0.0017003200000000, 0.0001597300000000 ] - [ 0.0002565600000000, 0.0010087900000000, 0.0000767000000000 ] - [ -0.0002271300000000, -0.0017011700000000, -0.0002304700000000 ] - [ 0.0002670300000000, 0.0010090300000000, -0.0001252600000000 ] - [ -0.0001264000000000, -0.0001576300000000, -0.0000974000000000 ] - [ 0.0000632900000000, 0.0003771500000000, -0.0000418400000000 ] - [ -0.0022050900000000, 0.0011143200000000, -0.0001999500000000 ] - [ 0.0030448700000000, 0.0011115600000000, 0.0000844200000000 ] - [ -0.0002490400000000, -0.0001180300000000, 0.0001378900000000 ] - [ 0.0002993500000000, -0.0000956700000000, -0.0004442900000000 ] - [ -0.0002638800000000, -0.0000973300000000, -0.0002603800000000 ] - [ 0.0003217200000000, -0.0001169300000000, 0.0003290100000000 ] - [ 0.0005388100000000, -0.0006325000000000, 0.0000559500000000 ] - [ -0.0000228400000000, 0.0007539000000000, -0.0000122700000000 ] - [ 0.0003781800000000, -0.0006331100000000, -0.0003531800000000 ] - [ -0.0000200000000000, 0.0007542200000000, -0.0000393000000000 ] - [ 0.0002032800000000, -0.0001552000000000, -0.0001069000000000 ] - [ -0.0000256800000000, 0.0003454600000000, -0.0000416100000000 ] - [ -0.0015366900000000, -0.0014135200000000, 0.0004699200000000 ] - [ 0.0019165800000000, -0.0004293800000000, -0.0000952200000000 ] - [ -0.0002204800000000, -0.0002389800000000, -0.0005243800000000 ] - [ 0.0000888300000000, 0.0002162200000000, 0.0003925800000000 ] - [ -0.0002683600000000, -0.0003013500000000, 0.0003938500000000 ] - [ 0.0000706600000000, 0.0002825700000000, -0.0003093700000000 ] - [ 0.0012284200000000, -0.0033329400000000, 0.0003004400000000 ] - [ 0.0016113000000000, 0.0130589900000000, 0.0005599600000000 ] - [ 0.0002278800000000, -0.0002478800000000, -0.0005307200000000 ] - [ -0.0000410400000000, 0.0002326500000000, 0.0008311200000000 ] - [ 0.0002717400000000, -0.0002998100000000, 0.0004469600000000 ] - [ -0.0000261900000000, 0.0002689000000000, -0.0007409800000000 ] - [ 0.0002736300000000, 0.0046132500000000, 0.0001840400000000 ] - [ 0.0001022900000000, -0.0011919500000000, -0.0000324900000000 ] - [ 0.0001361800000000, 0.0002294100000000, 0.0000358700000000 ] - [ 0.0000280200000000, -0.0002178800000000, -0.0000001500000000 ] - [ 0.0003951700000000, 0.0045293600000000, -0.0017516000000000 ] - [ 0.0000764400000000, -0.0010379600000000, 0.0000222400000000 ] - [ 0.0002114800000000, 0.0012695200000000, 0.0004510900000000 ] - [ -0.0000640900000000, -0.0010424100000000, -0.0000296900000000 ] - [ -0.0001225900000000, 0.0002142500000000, 0.0000418000000000 ] - [ -0.0000200900000000, -0.0002084400000000, -0.0000094100000000 ] - [ -0.0002480300000000, 0.0015337100000000, -0.0003391300000000 ] - [ -0.0000403500000000, -0.0008227800000000, 0.0000234400000000 ] - [ -0.0038185800000000, 0.0054403900000000, -0.0001225500000000 ] - [ -0.0002080000000000, -0.0010794200000000, 0.0000090400000000 ] - [ 0.0000679600000000, 0.0003232700000000, 0.0000244400000000 ] - [ -0.0001244800000000, -0.0003212800000000, 0.0001071200000000 ] - [ 0.0001008600000000, 0.0002849700000000, -0.0000278200000000 ] - [ -0.0001169700000000, -0.0002877200000000, -0.0000947700000000 ] - [ -0.0002904200000000, 0.0007380200000000, -0.0000663900000000 ] - [ 0.0000526500000000, -0.0005938200000000, 0.0000157200000000 ] - [ -0.0001308800000000, 0.0002552600000000, 0.0000032600000000 ] - [ 0.0000703500000000, -0.0002485800000000, 0.0000404400000000 ] - [ -0.0001796100000000, 0.0002132500000000, 0.0000342600000000 ] - [ 0.0000781800000000, -0.0002167500000000, -0.0000301900000000 ] - [ -0.0005922500000000, 0.0002895200000000, -0.0001967600000000 ] - [ 0.0002280900000000, -0.0002272900000000, 0.0002310500000000 ] - [ -0.0000338700000000, 0.0000465800000000, -0.0000059500000000 ] - [ 0.0000325600000000, -0.0000444600000000, 0.0000157800000000 ] - [ -0.0004863000000000, 0.0001641500000000, 0.0001894700000000 ] - [ 0.0001680300000000, -0.0002101800000000, -0.0002231200000000 ] - [ 0.0010416300000000, -0.0001013700000000, -0.0008625500000000 ] - [ -0.0009167800000000, -0.0007283900000000, 0.0007762500000000 ] - [ 0.0000247000000000, 0.0000596500000000, -0.0000058300000000 ] - [ -0.0000593900000000, -0.0000585300000000, 0.0000151500000000 ] - [ 0.0008843600000000, -0.0000717500000000, 0.0007960700000000 ] - [ -0.0008341900000000, -0.0006671100000000, -0.0007557700000000 ] - [ 0.1048499500000000, 0.1031039900000000, -0.0218108900000000 ] - [ 0.0002391300000000, -0.0036743600000000, -0.0013527500000000 ] - [ 0.0003726600000000, 0.0024135000000000, -0.0031411700000000 ] - [ 0.0001213400000000, -0.0008895300000000, 0.0003344800000000 ] - [ 0.0004096900000000, 0.0025380300000000, 0.0005447500000000 ] - [ 0.0000054000000000, -0.0010421800000000, -0.0014410300000000 ] - [ 0.0000851400000000, -0.0027823700000000, -0.0150800300000000 ] - [ 0.0035485000000000, -0.0041676800000000, 0.0007696900000000 ] - [ 0.0000077600000000, -0.0006922100000000, -0.0011157800000000 ] - [ 0.0001109500000000, -0.0004570300000000, -0.0006305400000000 ] - [ 0.0001019600000000, -0.0066478300000000, 0.0040949600000000 ] - [ 0.0034145500000000, -0.0035892600000000, -0.0026101200000000 ] - [ 0.0010971800000000, -0.0011487500000000, -0.0004306800000000 ] - [ -0.0027638700000000, 0.0020017600000000, -0.0015289100000000 ] - [ -0.0000097900000000, 0.0001172900000000, -0.0010741600000000 ] - [ -0.0002607100000000, 0.0008330900000000, -0.0003862500000000 ] - [ 0.0000093400000000, 0.0000855300000000, -0.0007597000000000 ] - [ -0.0002574900000000, 0.0008812000000000, -0.0012131600000000 ] - [ -0.0003939000000000, 0.0008160700000000, 0.0003060900000000 ] - [ -0.0002154700000000, -0.0016838500000000, -0.0013014600000000 ] - [ -0.0000561900000000, 0.0000394300000000, -0.0007412100000000 ] - [ -0.0000395100000000, -0.0009838000000000, -0.0009856800000000 ] - [ -0.0004919400000000, 0.0008667800000000, -0.0015600800000000 ] - [ -0.0002166900000000, -0.0017629300000000, -0.0007580900000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0173358000000000, -0.0181834700000000, -0.0085095800000000 ] - [ 0.0011420300000000, -0.0031714700000000, 0.0008736800000000 ] - [ 0.0000590600000000, 0.0003994300000000, 0.0002261100000000 ] - [ 0.0001163300000000, -0.0001593000000000, 0.0015709100000000 ] - [ 0.0001711600000000, 0.0005366200000000, 0.0035856900000000 ] - [ 0.0006600200000000, -0.0012020500000000, -0.0006032300000000 ] - [ -0.0106487800000000, -0.0034936800000000, 0.0140106600000000 ] - [ 0.0005035600000000, -0.0019936200000000, 0.0012924100000000 ] - [ -0.0002446500000000, 0.0024405600000000, -0.0028245600000000 ] - [ 0.0005700500000000, -0.0023114700000000, 0.0022627100000000 ] - [ 0.0000763900000000, 0.0001469000000000, 0.0011919900000000 ] - [ 0.0000095200000000, -0.0004980900000000, 0.0009760500000000 ] - [ 0.1261090600000000, 0.1393972200000000, -0.0289432900000000 ] - [ -0.0003140500000000, -0.0022384400000000, -0.0000381700000000 ] - [ 0.0006250100000000, 0.0009817000000000, -0.0001405700000000 ] - [ -0.0001583800000000, -0.0008940200000000, 0.0000451100000000 ] - [ 0.0005961800000000, 0.0009823900000000, -0.0001033600000000 ] - [ -0.0001213300000000, -0.0008945900000000, -0.0000608600000000 ] - [ -0.0012563500000000, -0.0017813600000000, 0.0009436700000000 ] - [ 0.0012874800000000, -0.0001098700000000, -0.0008426700000000 ] - [ -0.0021900900000000, -0.0017707200000000, -0.0035006400000000 ] - [ 0.0014246600000000, -0.0001096800000000, 0.0006958300000000 ] - [ -0.0001346100000000, -0.0000800100000000, -0.0000695200000000 ] - [ 0.0000633000000000, 0.0002978900000000, -0.0000296400000000 ] - [ 0.0046168600000000, 0.0095441100000000, 0.0001701800000000 ] - [ 0.0005513300000000, -0.0020830600000000, -0.0000191900000000 ] - [ -0.0003781800000000, 0.0007744800000000, -0.0004103300000000 ] - [ 0.0002612000000000, -0.0008767400000000, 0.0000421900000000 ] - [ -0.0002886300000000, 0.0007747800000000, 0.0002987200000000 ] - [ 0.0001967200000000, -0.0008778700000000, -0.0000381100000000 ] - [ 0.0006057000000000, -0.0017176400000000, 0.0015160200000000 ] - [ 0.0013590200000000, -0.0032642500000000, -0.0042359400000000 ] - [ 0.0013309500000000, -0.0017132200000000, -0.0026705300000000 ] - [ 0.0011661400000000, -0.0032640600000000, 0.0038880000000000 ] - [ 0.0001519800000000, -0.0000868300000000, -0.0000621200000000 ] - [ 0.0000519900000000, 0.0002444400000000, -0.0000377500000000 ] - [ -0.0007695800000000, 0.0013254700000000, 0.0017093100000000 ] - [ 0.0001514000000000, -0.0009685200000000, 0.0006007200000000 ] - [ -0.0000484400000000, 0.0005896600000000, 0.0013272200000000 ] - [ -0.0000178400000000, -0.0001746000000000, 0.0008514000000000 ] - [ -0.0000571800000000, 0.0005494200000000, 0.0008999500000000 ] - [ -0.0000445300000000, -0.0002253600000000, 0.0009397200000000 ] - [ 0.0001648200000000, -0.0011281500000000, 0.0017132100000000 ] - [ -0.0005571600000000, 0.0008520700000000, 0.0000712000000000 ] - [ -0.0000062600000000, -0.0007068700000000, 0.0009031600000000 ] - [ -0.0001773800000000, 0.0002685600000000, 0.0014842600000000 ] - [ -0.0000049300000000, -0.0004691300000000, 0.0011426800000000 ] - [ -0.0000559900000000, 0.0001216100000000, 0.0008469600000000 ] - [ -0.0001310700000000, -0.0001556500000000, 0.0000339900000000 ] - [ -0.0006903900000000, -0.0001486200000000, -0.0001115400000000 ] - [ -0.0002244300000000, -0.0001080000000000, -0.0002470700000000 ] - [ -0.0000126200000000, -0.0001523700000000, 0.0001564500000000 ] - [ -0.0002030400000000, -0.0001542000000000, 0.0001025200000000 ] - [ 0.0000129200000000, -0.0001055400000000, -0.0002615100000000 ] - [ -0.0000347800000000, 0.0019255000000000, -0.0002858500000000 ] - [ -0.0003033100000000, -0.0007914100000000, -0.0002078200000000 ] - [ 0.0001886400000000, 0.0019248200000000, 0.0001007200000000 ] - [ -0.0003130400000000, -0.0007910800000000, -0.0000026900000000 ] - [ 0.0000824000000000, 0.0003783800000000, -0.0000305800000000 ] - [ -0.0001082500000000, -0.0001580000000000, -0.0000863800000000 ] - [ 0.0021508400000000, -0.0013337400000000, 0.0000693700000000 ] - [ -0.0031073300000000, -0.0013351000000000, -0.0002143500000000 ] - [ 0.0002038100000000, -0.0001030500000000, -0.0002659100000000 ] - [ -0.0003457200000000, -0.0001229200000000, 0.0003167300000000 ] - [ 0.0002200200000000, -0.0001254000000000, 0.0001323200000000 ] - [ -0.0003685600000000, -0.0001013900000000, -0.0004589600000000 ] - [ -0.0005030900000000, 0.0008552500000000, -0.0001771400000000 ] - [ 0.0000667000000000, -0.0005350000000000, -0.0001166500000000 ] - [ -0.0003416300000000, 0.0008545700000000, 0.0002198000000000 ] - [ 0.0000637400000000, -0.0005345200000000, -0.0000878600000000 ] - [ -0.0001600200000000, 0.0003761400000000, -0.0000195400000000 ] - [ 0.0000703800000000, -0.0001263000000000, -0.0000852900000000 ] - [ 0.0014457100000000, 0.0014114200000000, -0.0004603000000000 ] - [ -0.0020157300000000, 0.0004067200000000, 0.0000997500000000 ] - [ 0.0001343900000000, 0.0002352100000000, 0.0005266700000000 ] - [ -0.0001754000000000, -0.0002225900000000, -0.0003885600000000 ] - [ 0.0001826600000000, 0.0002974000000000, -0.0003908800000000 ] - [ -0.0001570400000000, -0.0002892000000000, 0.0003132800000000 ] - [ -0.0011380300000000, 0.0033109200000000, -0.0002878300000000 ] - [ -0.0017324400000000, -0.0141254200000000, -0.0005998800000000 ] - [ -0.0001425700000000, 0.0002440000000000, 0.0005378500000000 ] - [ 0.0001264900000000, -0.0002395500000000, -0.0008234100000000 ] - [ -0.0001871100000000, 0.0002962800000000, -0.0004378100000000 ] - [ 0.0001115900000000, -0.0002759700000000, 0.0007518200000000 ] - [ -0.0001954400000000, -0.0046023700000000, -0.0001791400000000 ] - [ -0.0000163100000000, 0.0011966200000000, 0.0000402200000000 ] - [ -0.0000513500000000, -0.0002249300000000, -0.0000273700000000 ] - [ 0.0000571700000000, 0.0002235200000000, 0.0000086900000000 ] - [ -0.0003217300000000, -0.0045411600000000, 0.0017376600000000 ] - [ 0.0000087600000000, 0.0010446800000000, -0.0000110900000000 ] - [ -0.0002953000000000, -0.0012682400000000, -0.0004294200000000 ] - [ -0.0000231300000000, 0.0010463500000000, 0.0000327200000000 ] - [ 0.0000369600000000, -0.0002097500000000, -0.0000383800000000 ] - [ -0.0000658500000000, 0.0002139800000000, 0.0000127000000000 ] - [ 0.0001639100000000, -0.0015352400000000, 0.0003268300000000 ] - [ -0.0000457400000000, 0.0008296100000000, -0.0000176200000000 ] - [ 0.0036640200000000, -0.0054753700000000, 0.0001278300000000 ] - [ 0.0001250900000000, 0.0010765700000000, -0.0000043300000000 ] - [ -0.0001530800000000, -0.0003273600000000, -0.0000194200000000 ] - [ 0.0000399800000000, 0.0003164100000000, -0.0001040600000000 ] - [ -0.0001864100000000, -0.0002895600000000, 0.0000302600000000 ] - [ 0.0000321900000000, 0.0002830500000000, 0.0000995000000000 ] - [ 0.0003914600000000, -0.0007348600000000, 0.0000767900000000 ] - [ 0.0000313300000000, 0.0005882300000000, -0.0000057700000000 ] - [ 0.0002156000000000, -0.0002594100000000, 0.0000073000000000 ] - [ 0.0000139700000000, 0.0002431500000000, -0.0000318400000000 ] - [ 0.0002647500000000, -0.0002178900000000, -0.0000269900000000 ] - [ 0.0000065200000000, 0.0002117700000000, 0.0000396100000000 ] - [ 0.0006756900000000, -0.0002799600000000, 0.0002072800000000 ] - [ -0.0001431000000000, 0.0002302500000000, -0.0002214700000000 ] - [ 0.0001187900000000, -0.0000407900000000, 0.0000143800000000 ] - [ 0.0000519500000000, 0.0000491300000000, -0.0000070300000000 ] - [ 0.0005731100000000, -0.0001551500000000, -0.0001812800000000 ] - [ -0.0000829000000000, 0.0002135300000000, 0.0002321200000000 ] - [ -0.0011230600000000, 0.0001087900000000, 0.0008638000000000 ] - [ 0.0008352700000000, 0.0007347700000000, -0.0007760600000000 ] - [ -0.0001100100000000, -0.0000539700000000, 0.0000091900000000 ] - [ -0.0000255700000000, 0.0000631500000000, -0.0000115500000000 ] - [ -0.0009680800000000, 0.0000794600000000, -0.0007891000000000 ] - [ 0.0007525900000000, 0.0006736100000000, 0.0007638100000000 ] - [ -0.1013090100000000, -0.1013964600000000, 0.0193031500000000 ] - [ -0.0002421800000000, 0.0047254100000000, -0.0004344600000000 ] - [ -0.0003731700000000, -0.0013712400000000, 0.0013519900000000 ] - [ -0.0001222700000000, 0.0019319400000000, -0.0021343300000000 ] - [ -0.0004095200000000, -0.0014973700000000, -0.0023453000000000 ] - [ -0.0000065400000000, 0.0020870800000000, -0.0003526300000000 ] - [ -0.0000769400000000, 0.0017552400000000, 0.0132163700000000 ] - [ -0.0035648300000000, 0.0031317300000000, -0.0025828500000000 ] - [ -0.0000080600000000, -0.0003473500000000, -0.0006807300000000 ] - [ -0.0001112500000000, -0.0005877300000000, -0.0011662500000000 ] - [ -0.0001153100000000, 0.0056434300000000, -0.0058996100000000 ] - [ -0.0034298100000000, 0.0025498300000000, 0.0008251900000000 ] - [ -0.0010904300000000, 0.0021930000000000, -0.0013619900000000 ] - [ 0.0027832700000000, -0.0009694700000000, -0.0002630300000000 ] - [ 0.0000103000000000, 0.0009260800000000, -0.0007224700000000 ] - [ 0.0002618900000000, 0.0002048700000000, -0.0014075200000000 ] - [ -0.0000092600000000, 0.0009597100000000, -0.0010357800000000 ] - [ 0.0002585000000000, 0.0001554200000000, -0.0005829300000000 ] - [ 0.0003990700000000, -0.0018694300000000, -0.0021036400000000 ] - [ 0.0002171800000000, 0.0006441500000000, -0.0004926400000000 ] - [ 0.0000562100000000, -0.0010826200000000, -0.0010537500000000 ] - [ 0.0000394200000000, -0.0000569700000000, -0.0008099000000000 ] - [ 0.0004957100000000, -0.0019241200000000, -0.0002343800000000 ] - [ 0.0002185000000000, 0.0007234600000000, -0.0010343900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0054655400000000, 0.0078400500000000, -0.0056048900000000 ] - [ 0.0003142600000000, -0.0009318800000000, -0.0009932500000000 ] - [ 0.0001126600000000, 0.0012894400000000, 0.0034051300000000 ] - [ 0.0000852900000000, 0.0002835100000000, 0.0020595800000000 ] - [ 0.0000957500000000, -0.0003780300000000, 0.0041323500000000 ] - [ -0.0004636600000000, 0.0009831800000000, 0.0020737000000000 ] - [ -0.0164421300000000, -0.0196178700000000, 0.0158740200000000 ] - [ -0.0003795800000000, 0.0008968100000000, -0.0003399500000000 ] - [ 0.0020890100000000, 0.0023194800000000, 0.0048001900000000 ] - [ 0.0005221500000000, -0.0013194400000000, 0.0013912100000000 ] - [ -0.0001138300000000, -0.0008445100000000, 0.0032309000000000 ] - [ 0.0000062500000000, -0.0005050500000000, 0.0020323200000000 ] - [ 0.0477392500000000, 0.0293571800000000, -0.0685880000000000 ] - [ 0.0000412500000000, -0.0001384700000000, -0.0010224300000000 ] - [ 0.0001586700000000, -0.0000669600000000, 0.0020310800000000 ] - [ -0.0000461600000000, -0.0001141900000000, 0.0004260500000000 ] - [ -0.0001327000000000, -0.0000333000000000, 0.0020227100000000 ] - [ 0.0000554600000000, -0.0002183700000000, 0.0004268400000000 ] - [ -0.0019084400000000, -0.0033303400000000, -0.0000286000000000 ] - [ -0.0009779100000000, 0.0008719000000000, -0.0002632800000000 ] - [ 0.0009992100000000, 0.0011150800000000, -0.0000429400000000 ] - [ 0.0010058400000000, -0.0006675400000000, -0.0002682100000000 ] - [ 0.0000452600000000, 0.0001047700000000, 0.0008526500000000 ] - [ 0.0000206300000000, 0.0001443000000000, 0.0006554100000000 ] - [ 0.0015585600000000, -0.0003547000000000, -0.0107027000000000 ] - [ -0.0000125300000000, -0.0001586000000000, -0.0009829600000000 ] - [ 0.0007685400000000, -0.0004718200000000, 0.0011583000000000 ] - [ 0.0001520700000000, -0.0001374000000000, 0.0004039800000000 ] - [ -0.0006182000000000, 0.0002347000000000, 0.0011582500000000 ] - [ -0.0001102600000000, -0.0002161900000000, 0.0004051000000000 ] - [ 0.0011488900000000, -0.0025001000000000, 0.0000676900000000 ] - [ -0.0008686000000000, 0.0040397800000000, 0.0012799000000000 ] - [ -0.0001787900000000, 0.0016932800000000, 0.0000570900000000 ] - [ 0.0010585100000000, -0.0040619700000000, 0.0012842600000000 ] - [ -0.0000323200000000, 0.0001117300000000, 0.0008950400000000 ] - [ -0.0000083600000000, 0.0001352200000000, 0.0007804200000000 ] - [ -0.0004875300000000, -0.0007281500000000, -0.0008619300000000 ] - [ -0.0000285600000000, -0.0000709900000000, 0.0003553000000000 ] - [ -0.0001204000000000, 0.0003837200000000, 0.0020702200000000 ] - [ -0.0000461600000000, 0.0005337800000000, 0.0016051500000000 ] - [ 0.0004304500000000, 0.0010006600000000, 0.0019735000000000 ] - [ 0.0000384600000000, 0.0000501000000000, 0.0010913500000000 ] - [ -0.0000000700000000, -0.0000629200000000, 0.0003083700000000 ] - [ 0.0004355300000000, 0.0008725700000000, -0.0002673700000000 ] - [ -0.0000967500000000, 0.0000387400000000, 0.0009059100000000 ] - [ -0.0005245900000000, -0.0010371900000000, 0.0013283900000000 ] - [ 0.0000223200000000, -0.0005547600000000, 0.0018121800000000 ] - [ 0.0000187300000000, -0.0004707600000000, 0.0020092400000000 ] - [ 0.0000322600000000, -0.0000658900000000, -0.0008220100000000 ] - [ 0.0000520300000000, -0.0002073000000000, -0.0008228600000000 ] - [ 0.0000655800000000, 0.0000876700000000, 0.0002872700000000 ] - [ -0.0000795600000000, -0.0002760000000000, 0.0003651100000000 ] - [ -0.0001892700000000, -0.0003303400000000, 0.0003656100000000 ] - [ 0.0000327600000000, 0.0000737200000000, 0.0002885600000000 ] - [ 0.0039970400000000, 0.0002773900000000, 0.0011703500000000 ] - [ 0.0001766500000000, 0.0001707500000000, -0.0002992400000000 ] - [ -0.0044833400000000, -0.0001113500000000, 0.0011731300000000 ] - [ -0.0002669700000000, -0.0000333900000000, -0.0003003600000000 ] - [ 0.0000370100000000, 0.0001437000000000, 0.0007627200000000 ] - [ 0.0000025700000000, 0.0000874300000000, 0.0003948500000000 ] - [ -0.0001723900000000, 0.0000373400000000, -0.0013873800000000 ] - [ -0.0001749600000000, -0.0002451300000000, -0.0013881200000000 ] - [ -0.0003078200000000, 0.0002850600000000, 0.0004464000000000 ] - [ -0.0002819700000000, -0.0003065200000000, 0.0004929700000000 ] - [ 0.0003383700000000, -0.0004906400000000, 0.0004930500000000 ] - [ 0.0002690000000000, 0.0000914700000000, 0.0004469500000000 ] - [ 0.0007024600000000, 0.0003970400000000, -0.0005248500000000 ] - [ -0.0000720300000000, 0.0000856800000000, -0.0002804700000000 ] - [ -0.0009697100000000, -0.0000056100000000, -0.0005328400000000 ] - [ 0.0000895800000000, 0.0000571900000000, -0.0002817100000000 ] - [ -0.0000581500000000, 0.0001541900000000, 0.0006295100000000 ] - [ -0.0000112600000000, 0.0000878300000000, 0.0003687000000000 ] - [ -0.0002985300000000, -0.0000841200000000, 0.0012037300000000 ] - [ -0.0000472100000000, 0.0000443600000000, 0.0011256600000000 ] - [ -0.0002122900000000, -0.0002050600000000, -0.0004453400000000 ] - [ -0.0002111900000000, 0.0002077900000000, -0.0004663800000000 ] - [ 0.0002345200000000, 0.0002687700000000, -0.0006045100000000 ] - [ 0.0001267500000000, -0.0002296500000000, -0.0004145500000000 ] - [ 0.0002511300000000, -0.0000787300000000, 0.0016027700000000 ] - [ 0.0000746300000000, 0.0003024900000000, 0.0043027300000000 ] - [ 0.0001571100000000, -0.0002625000000000, -0.0005524700000000 ] - [ 0.0001207400000000, 0.0004169900000000, -0.0009935900000000 ] - [ -0.0002009200000000, 0.0003179800000000, -0.0006157000000000 ] - [ -0.0000613200000000, -0.0003897900000000, -0.0008436400000000 ] - [ -0.0006025600000000, -0.0005066600000000, 0.0085148600000000 ] - [ 0.0001796400000000, -0.0001405100000000, 0.0001958700000000 ] - [ 0.0000098800000000, -0.0000291200000000, -0.0009986300000000 ] - [ 0.0000286900000000, 0.0000141700000000, -0.0004206800000000 ] - [ -0.0015669400000000, -0.0013263100000000, -0.0018501900000000 ] - [ -0.0001156700000000, 0.0002777400000000, 0.0002495300000000 ] - [ -0.0017864200000000, 0.0001759900000000, -0.0001287200000000 ] - [ -0.0002122100000000, -0.0001448300000000, 0.0001752000000000 ] - [ -0.0000176300000000, -0.0000343100000000, -0.0007852500000000 ] - [ -0.0000320000000000, 0.0000157200000000, -0.0004009800000000 ] - [ 0.0017663800000000, -0.0008229400000000, 0.0000817700000000 ] - [ 0.0001302000000000, 0.0003471000000000, 0.0002342800000000 ] - [ 0.0003658900000000, -0.0001284300000000, 0.0043744900000000 ] - [ -0.0000377500000000, 0.0000261900000000, 0.0004614500000000 ] - [ 0.0003504800000000, -0.0001790800000000, -0.0009847500000000 ] - [ 0.0000716900000000, 0.0001127400000000, -0.0002427300000000 ] - [ -0.0004367300000000, 0.0001108600000000, -0.0008537600000000 ] - [ -0.0001589600000000, -0.0000641300000000, -0.0002217400000000 ] - [ 0.0000888500000000, -0.0001142100000000, 0.0007627900000000 ] - [ 0.0000420600000000, 0.0000265100000000, 0.0003800000000000 ] - [ -0.0000906400000000, -0.0000580700000000, -0.0004253100000000 ] - [ -0.0000222100000000, 0.0000613400000000, -0.0001873700000000 ] - [ 0.0002601600000000, 0.0000168800000000, -0.0004238100000000 ] - [ 0.0001296900000000, -0.0000178500000000, -0.0001799300000000 ] - [ -0.0001677500000000, -0.0002127400000000, 0.0002032300000000 ] - [ -0.0001061900000000, 0.0001861400000000, 0.0001964300000000 ] - [ 0.0000568600000000, -0.0000098700000000, -0.0004433100000000 ] - [ 0.0000454100000000, 0.0000047200000000, -0.0003943600000000 ] - [ 0.0005656000000000, 0.0002134300000000, 0.0002450800000000 ] - [ 0.0001987700000000, -0.0001322700000000, 0.0002194500000000 ] - [ 0.0008685100000000, -0.0011819500000000, -0.0001453700000000 ] - [ 0.0005924500000000, 0.0006352900000000, 0.0001464500000000 ] - [ -0.0000506200000000, -0.0000136100000000, -0.0005248100000000 ] - [ -0.0000402700000000, 0.0000071500000000, -0.0004694900000000 ] - [ -0.0009510700000000, 0.0009464000000000, -0.0000073500000000 ] - [ -0.0006217400000000, -0.0005060400000000, 0.0001887800000000 ] - [ -0.0355193800000000, -0.0194779800000000, 0.0494649500000000 ] - [ 0.0000081400000000, 0.0009541800000000, 0.0013771600000000 ] - [ -0.0008964200000000, 0.0005495300000000, -0.0054595600000000 ] - [ -0.0001244600000000, 0.0006939900000000, -0.0019946300000000 ] - [ 0.0007680900000000, 0.0001133900000000, -0.0044754300000000 ] - [ 0.0000138800000000, 0.0002473200000000, -0.0020924500000000 ] - [ -0.0017938400000000, -0.0052761400000000, -0.0016796300000000 ] - [ -0.0027576200000000, 0.0025678100000000, 0.0006615800000000 ] - [ -0.0000404300000000, -0.0003444000000000, -0.0035521900000000 ] - [ -0.0000146100000000, -0.0004315400000000, -0.0023394200000000 ] - [ -0.0012589400000000, 0.0101499700000000, -0.0055270400000000 ] - [ 0.0024570500000000, -0.0030087900000000, -0.0011691600000000 ] - [ 0.0000886300000000, 0.0005317100000000, 0.0001553900000000 ] - [ -0.0000092600000000, 0.0008141700000000, 0.0013589600000000 ] - [ 0.0002466700000000, -0.0000892200000000, -0.0012290700000000 ] - [ 0.0003051000000000, 0.0006400900000000, -0.0019167300000000 ] - [ -0.0001597800000000, 0.0011448000000000, -0.0016558100000000 ] - [ -0.0001905200000000, 0.0001919700000000, -0.0020299100000000 ] - [ 0.0030029800000000, 0.0016594300000000, 0.0008076400000000 ] - [ 0.0001285800000000, -0.0004437400000000, -0.0001999800000000 ] - [ 0.0000231200000000, -0.0005310000000000, -0.0023143700000000 ] - [ 0.0000125200000000, -0.0004029700000000, -0.0018024500000000 ] - [ -0.0023992500000000, -0.0027571000000000, -0.0009823800000000 ] - [ -0.0000764200000000, -0.0006322400000000, -0.0006878900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0055151000000000, -0.0075365700000000, 0.0075555300000000 ] - [ -0.0003122800000000, 0.0013025200000000, 0.0030268700000000 ] - [ -0.0001119100000000, -0.0009133100000000, -0.0013634400000000 ] - [ -0.0000846400000000, 0.0000854400000000, -0.0000215000000000 ] - [ -0.0000971200000000, 0.0007533100000000, -0.0020981900000000 ] - [ 0.0004658200000000, -0.0006120400000000, -0.0000352300000000 ] - [ 0.0166677800000000, 0.0194634200000000, -0.0139979300000000 ] - [ 0.0003817400000000, -0.0012720000000000, 0.0023808800000000 ] - [ -0.0020648900000000, -0.0026558600000000, -0.0027502000000000 ] - [ -0.0005190600000000, 0.0009435000000000, 0.0006468000000000 ] - [ 0.0001152100000000, 0.0004747100000000, -0.0011943800000000 ] - [ -0.0000063300000000, 0.0001320400000000, 0.0000056000000000 ] - [ -0.0468211600000000, -0.0291431600000000, 0.0675084100000000 ] - [ 0.0000016200000000, -0.0000845400000000, 0.0008958600000000 ] - [ -0.0001119300000000, -0.0001493200000000, -0.0021498500000000 ] - [ 0.0000892300000000, -0.0001069900000000, -0.0005548300000000 ] - [ 0.0001786600000000, -0.0001843600000000, -0.0021585700000000 ] - [ -0.0000129000000000, -0.0000019000000000, -0.0005541900000000 ] - [ 0.0018739300000000, 0.0035640400000000, -0.0000965900000000 ] - [ 0.0009402500000000, -0.0006492500000000, 0.0001391200000000 ] - [ -0.0010484500000000, -0.0009018100000000, -0.0001106500000000 ] - [ -0.0010419500000000, 0.0008878900000000, 0.0001343100000000 ] - [ -0.0000874200000000, 0.0001155700000000, -0.0009820100000000 ] - [ -0.0000636700000000, 0.0000744800000000, -0.0007845400000000 ] - [ -0.0017171300000000, 0.0001046600000000, 0.0105847000000000 ] - [ -0.0000302200000000, -0.0000646100000000, 0.0008556400000000 ] - [ -0.0008076200000000, 0.0002518300000000, -0.0012867500000000 ] - [ -0.0001944900000000, -0.0000844500000000, -0.0005343400000000 ] - [ 0.0005781700000000, -0.0004547200000000, -0.0012870700000000 ] - [ 0.0000678100000000, -0.0000043500000000, -0.0005334300000000 ] - [ -0.0011090900000000, 0.0027235900000000, -0.0001901800000000 ] - [ 0.0009155700000000, -0.0038397900000000, -0.0014105500000000 ] - [ 0.0002331100000000, -0.0014732200000000, -0.0002005300000000 ] - [ -0.0010116200000000, 0.0042566700000000, -0.0014057900000000 ] - [ 0.0000745200000000, 0.0001086900000000, -0.0010231400000000 ] - [ 0.0000511200000000, 0.0000833700000000, -0.0009079300000000 ] - [ 0.0004812700000000, 0.0011007400000000, 0.0028955500000000 ] - [ 0.0000280800000000, 0.0004375900000000, 0.0016815200000000 ] - [ 0.0001192400000000, -0.0000121300000000, -0.0000318700000000 ] - [ 0.0000456900000000, -0.0001633300000000, 0.0004316200000000 ] - [ -0.0004333000000000, -0.0006282300000000, 0.0000646600000000 ] - [ -0.0000389300000000, 0.0003215800000000, 0.0009479200000000 ] - [ -0.0000005900000000, -0.0003120200000000, 0.0017332400000000 ] - [ -0.0004391500000000, -0.0012454400000000, 0.0023070200000000 ] - [ 0.0000959500000000, -0.0004103200000000, 0.0011300300000000 ] - [ 0.0005208100000000, 0.0006655200000000, 0.0007079100000000 ] - [ -0.0000229200000000, 0.0001825200000000, 0.0002254500000000 ] - [ -0.0000193300000000, 0.0000983600000000, 0.0000286000000000 ] - [ 0.0000060800000000, -0.0001594400000000, 0.0006960600000000 ] - [ -0.0000117500000000, -0.0000097100000000, 0.0006954200000000 ] - [ -0.0000230000000000, -0.0003074400000000, -0.0004166300000000 ] - [ 0.0001232300000000, 0.0000560900000000, -0.0004932100000000 ] - [ 0.0002339900000000, 0.0001107300000000, -0.0004927400000000 ] - [ 0.0000114500000000, -0.0002934400000000, -0.0004155600000000 ] - [ -0.0040635700000000, -0.0000547400000000, -0.0013018800000000 ] - [ -0.0002229400000000, 0.0000471400000000, 0.0001709900000000 ] - [ 0.0044147900000000, 0.0003341200000000, -0.0012986700000000 ] - [ 0.0002211000000000, 0.0002506700000000, 0.0001699700000000 ] - [ -0.0000833100000000, 0.0000761700000000, -0.0008917100000000 ] - [ -0.0000481900000000, 0.0001310900000000, -0.0005241600000000 ] - [ 0.0001305000000000, -0.0002602100000000, 0.0012585200000000 ] - [ 0.0001278500000000, 0.0000246200000000, 0.0012580200000000 ] - [ 0.0002614400000000, -0.0005025100000000, -0.0005763500000000 ] - [ 0.0002349400000000, 0.0000864600000000, -0.0006217200000000 ] - [ -0.0003842600000000, 0.0002716900000000, -0.0006217700000000 ] - [ -0.0003157100000000, -0.0003115900000000, -0.0005760100000000 ] - [ -0.0006693200000000, -0.0001768800000000, 0.0004050300000000 ] - [ 0.0001166800000000, 0.0001332500000000, 0.0001538700000000 ] - [ 0.0010011300000000, 0.0002269900000000, 0.0003973100000000 ] - [ -0.0000461600000000, 0.0001611800000000, 0.0001527200000000 ] - [ 0.0001020000000000, 0.0000661200000000, -0.0007570300000000 ] - [ 0.0000563700000000, 0.0001307000000000, -0.0004967900000000 ] - [ 0.0002190000000000, 0.0000890200000000, -0.0012053500000000 ] - [ -0.0000370100000000, -0.0000657500000000, -0.0011211600000000 ] - [ 0.0001261000000000, 0.0001996000000000, 0.0004527500000000 ] - [ 0.0001243200000000, -0.0002120400000000, 0.0004711900000000 ] - [ -0.0003210700000000, -0.0002744600000000, 0.0006083400000000 ] - [ -0.0002132200000000, 0.0002252700000000, 0.0004179200000000 ] - [ -0.0001728200000000, 0.0000837900000000, -0.0015965000000000 ] - [ 0.0000123600000000, -0.0002628400000000, -0.0042855700000000 ] - [ -0.0000722900000000, 0.0002564500000000, 0.0005637500000000 ] - [ -0.0000355400000000, -0.0004190500000000, 0.0009999300000000 ] - [ 0.0002861700000000, -0.0003237000000000, 0.0006247500000000 ] - [ 0.0001464000000000, 0.0003871300000000, 0.0008549100000000 ] - [ 0.0005491900000000, 0.0003970200000000, -0.0077398500000000 ] - [ -0.0000951400000000, 0.0001484200000000, -0.0001854600000000 ] - [ 0.0000756300000000, 0.0000345900000000, 0.0010075800000000 ] - [ 0.0000564000000000, -0.0000088900000000, 0.0004302700000000 ] - [ 0.0016124600000000, 0.0012982800000000, 0.0015547900000000 ] - [ 0.0002006900000000, -0.0002717300000000, -0.0002414900000000 ] - [ 0.0016887100000000, -0.0001742700000000, 0.0001474900000000 ] - [ 0.0001265500000000, 0.0001532600000000, -0.0001699800000000 ] - [ -0.0000689700000000, 0.0000395500000000, 0.0007892500000000 ] - [ -0.0000539900000000, -0.0000105100000000, 0.0004054900000000 ] - [ -0.0018598600000000, 0.0008273600000000, -0.0000916500000000 ] - [ -0.0002158200000000, -0.0003415400000000, -0.0002313700000000 ] - [ -0.0004015000000000, 0.0000995300000000, -0.0043627700000000 ] - [ -0.0000471500000000, -0.0000300300000000, -0.0004573200000000 ] - [ -0.0004327700000000, 0.0001724700000000, 0.0009866500000000 ] - [ -0.0001565100000000, -0.0001165900000000, 0.0002474400000000 ] - [ 0.0003538100000000, -0.0001168600000000, 0.0008597000000000 ] - [ 0.0000741300000000, 0.0000597400000000, 0.0002257400000000 ] - [ 0.0000120600000000, 0.0001132800000000, -0.0007544700000000 ] - [ 0.0000427300000000, -0.0000312100000000, -0.0003708500000000 ] - [ 0.0001751200000000, 0.0000523100000000, 0.0004364000000000 ] - [ 0.0001068500000000, -0.0000656300000000, 0.0001975700000000 ] - [ -0.0001760100000000, -0.0000219600000000, 0.0004321000000000 ] - [ -0.0000452600000000, 0.0000131200000000, 0.0001888600000000 ] - [ 0.0002563500000000, 0.0002188800000000, -0.0001902000000000 ] - [ 0.0001912100000000, -0.0001813200000000, -0.0001853600000000 ] - [ 0.0000274200000000, 0.0000147300000000, 0.0004529600000000 ] - [ 0.0000390400000000, 0.0000009100000000, 0.0004035900000000 ] - [ -0.0004810700000000, -0.0002070700000000, -0.0002393900000000 ] - [ -0.0001135400000000, 0.0001368800000000, -0.0002118300000000 ] - [ -0.0009511400000000, 0.0011810200000000, 0.0001510500000000 ] - [ -0.0006748700000000, -0.0006269200000000, -0.0001416500000000 ] - [ -0.0000340800000000, 0.0000181000000000, 0.0005291600000000 ] - [ -0.0000446100000000, -0.0000014000000000, 0.0004734900000000 ] - [ 0.0008684400000000, -0.0009449100000000, 0.0000092300000000 ] - [ 0.0005382700000000, 0.0005131100000000, -0.0001855100000000 ] - [ 0.0347700400000000, 0.0201014900000000, -0.0506158500000000 ] - [ -0.0000094800000000, 0.0000913500000000, -0.0031756400000000 ] - [ 0.0008877600000000, 0.0004885600000000, 0.0036549000000000 ] - [ 0.0001228700000000, 0.0003517500000000, 0.0002001100000000 ] - [ -0.0007752800000000, 0.0009256300000000, 0.0026842000000000 ] - [ -0.0000145700000000, 0.0007957200000000, 0.0002970200000000 ] - [ 0.0017683100000000, 0.0042149400000000, -0.0000159000000000 ] - [ 0.0027418700000000, -0.0035989000000000, -0.0024486400000000 ] - [ 0.0000394600000000, -0.0007011000000000, 0.0017578800000000 ] - [ 0.0000133800000000, -0.0006086500000000, 0.0005452500000000 ] - [ 0.0012675800000000, -0.0112001800000000, 0.0037255100000000 ] - [ -0.0024693400000000, 0.0019705900000000, -0.0006268000000000 ] - [ -0.0000865500000000, 0.0005160900000000, -0.0019535700000000 ] - [ 0.0000160800000000, 0.0002274700000000, -0.0031563500000000 ] - [ -0.0002444000000000, 0.0011302200000000, -0.0005628800000000 ] - [ -0.0003029200000000, 0.0004013700000000, 0.0001232400000000 ] - [ 0.0001604200000000, -0.0001044400000000, -0.0001397000000000 ] - [ 0.0001917600000000, 0.0008492800000000, 0.0002344000000000 ] - [ -0.0029855100000000, -0.0027004300000000, -0.0025942600000000 ] - [ -0.0001272800000000, -0.0005962900000000, -0.0015906200000000 ] - [ -0.0000219700000000, -0.0005103500000000, 0.0005200300000000 ] - [ -0.0000125300000000, -0.0006376900000000, 0.0000093700000000 ] - [ 0.0024123500000000, 0.0017159300000000, -0.0008144000000000 ] - [ 0.0000770600000000, -0.0004069000000000, -0.0011091700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0045800600000000, 0.0005787500000000, 0.0007044400000000 ] - [ 0.0001491700000000, 0.0007597800000000, 0.0013888500000000 ] - [ 0.0000276500000000, 0.0002607400000000, 0.0015051100000000 ] - [ 0.0000210300000000, 0.0002480900000000, 0.0011547100000000 ] - [ 0.0001352500000000, -0.0001153300000000, 0.0001897200000000 ] - [ 0.0000342400000000, 0.0001893300000000, 0.0008003900000000 ] - [ 0.0000165200000000, -0.0011885700000000, -0.0002589800000000 ] - [ 0.0001343800000000, 0.0004546200000000, 0.0003844400000000 ] - [ 0.0001278300000000, -0.0011784800000000, 0.0029763600000000 ] - [ 0.0000633200000000, -0.0000549300000000, 0.0013860900000000 ] - [ 0.0000178700000000, -0.0002197300000000, 0.0009425700000000 ] - [ 0.0000252900000000, -0.0001725400000000, 0.0009731600000000 ] - [ -0.0009662400000000, -0.0016039500000000, -0.0003243000000000 ] - [ -0.0010645600000000, 0.0018430900000000, -0.0000690100000000 ] - [ -0.0002371700000000, -0.0003354100000000, 0.0002146400000000 ] - [ -0.0001125800000000, 0.0000029600000000, 0.0001061400000000 ] - [ -0.0001563200000000, -0.0002877000000000, -0.0002329300000000 ] - [ -0.0000949300000000, 0.0000210500000000, -0.0002311900000000 ] - [ 0.0046059600000000, 0.0003414900000000, 0.0005123200000000 ] - [ 0.0002838200000000, 0.0001700500000000, -0.0002026800000000 ] - [ 0.0047055400000000, 0.0004650800000000, 0.0015297600000000 ] - [ 0.0002800200000000, 0.0001441500000000, 0.0000942000000000 ] - [ 0.0001744000000000, 0.0002034300000000, -0.0000314100000000 ] - [ 0.0000773700000000, 0.0000957100000000, -0.0000503400000000 ] - [ 0.0018229900000000, -0.0012954100000000, -0.0002765800000000 ] - [ 0.0041350200000000, -0.0017840600000000, -0.0000958600000000 ] - [ 0.0003344100000000, -0.0003396000000000, 0.0001798500000000 ] - [ 0.0002339400000000, -0.0000407600000000, 0.0000404600000000 ] - [ 0.0002601500000000, -0.0002954700000000, -0.0001793300000000 ] - [ 0.0002368800000000, -0.0000257800000000, -0.0001436500000000 ] - [ -0.0010833200000000, -0.0001399800000000, -0.0017914000000000 ] - [ -0.0001547200000000, 0.0001313100000000, -0.0002337400000000 ] - [ -0.0011563300000000, 0.0003203200000000, 0.0017434000000000 ] - [ -0.0001598300000000, 0.0001074700000000, 0.0001096600000000 ] - [ -0.0001190700000000, 0.0001898100000000, -0.0000379200000000 ] - [ -0.0000527600000000, 0.0000875300000000, -0.0000524400000000 ] - [ -0.0002217200000000, 0.0005678500000000, 0.0009901200000000 ] - [ -0.0022794400000000, -0.0020472500000000, -0.0005156700000000 ] - [ -0.0000341200000000, 0.0001459100000000, 0.0008871300000000 ] - [ -0.0000452200000000, 0.0000827000000000, 0.0005806500000000 ] - [ -0.0001399900000000, 0.0003521400000000, 0.0013048800000000 ] - [ -0.0001437200000000, 0.0002790000000000, 0.0018958700000000 ] - [ -0.0019926900000000, -0.0019767900000000, 0.0034650200000000 ] - [ -0.0001457600000000, -0.0000326900000000, 0.0010153600000000 ] - [ -0.0004955100000000, -0.0001430100000000, -0.0005056600000000 ] - [ -0.0001334900000000, 0.0000223500000000, 0.0008098100000000 ] - [ -0.0000506800000000, -0.0001680600000000, 0.0011369000000000 ] - [ -0.0000175200000000, -0.0002177800000000, 0.0010847100000000 ] - [ 0.0135247100000000, -0.0040282200000000, 0.0003362600000000 ] - [ 0.0002113400000000, -0.0002769200000000, -0.0000593900000000 ] - [ 0.0002968500000000, 0.0000336700000000, -0.0004592400000000 ] - [ 0.0001145400000000, -0.0001850100000000, -0.0001801100000000 ] - [ 0.0002204200000000, 0.0000002100000000, 0.0003280100000000 ] - [ 0.0001044900000000, -0.0001925100000000, 0.0000503700000000 ] - [ -0.0006059300000000, 0.0002963000000000, 0.0000837100000000 ] - [ -0.0010277500000000, -0.0005255800000000, 0.0001486600000000 ] - [ -0.0006157000000000, 0.0002362300000000, -0.0002202600000000 ] - [ -0.0010708600000000, -0.0004213600000000, -0.0005901600000000 ] - [ -0.0001539700000000, 0.0001008200000000, -0.0000672700000000 ] - [ -0.0001860700000000, 0.0000334700000000, -0.0000790400000000 ] - [ -0.0038748100000000, 0.0002365400000000, -0.0001039100000000 ] - [ -0.0004103600000000, -0.0001217900000000, -0.0000643600000000 ] - [ -0.0004999400000000, 0.0001124000000000, -0.0002832100000000 ] - [ -0.0001732200000000, -0.0001461400000000, -0.0001519200000000 ] - [ -0.0004610100000000, 0.0000628800000000, 0.0000694400000000 ] - [ -0.0001706800000000, -0.0001384200000000, 0.0000003400000000 ] - [ -0.0000640800000000, 0.0009869300000000, 0.0005698200000000 ] - [ -0.0000659700000000, -0.0009746800000000, 0.0008476800000000 ] - [ -0.0000256500000000, 0.0009043400000000, -0.0006441400000000 ] - [ 0.0001334500000000, -0.0008187800000000, -0.0009757800000000 ] - [ 0.0001122400000000, 0.0001275300000000, -0.0000612300000000 ] - [ 0.0001439400000000, 0.0000423700000000, -0.0000719900000000 ] - [ -0.0400488100000000, 0.0027448900000000, 0.0016332900000000 ] - [ -0.0003534200000000, 0.0000275800000000, 0.0000038600000000 ] - [ -0.0003573900000000, -0.0000835400000000, -0.0001502100000000 ] - [ -0.0001840100000000, 0.0000412500000000, -0.0000177200000000 ] - [ -0.0003572200000000, -0.0000826400000000, 0.0001543000000000 ] - [ -0.0001838300000000, 0.0000309900000000, 0.0000243800000000 ] - [ 0.0048321100000000, 0.0001417200000000, -0.0000413100000000 ] - [ 0.0002933900000000, 0.0000828000000000, 0.0000038100000000 ] - [ 0.0002904400000000, -0.0000852600000000, -0.0002931000000000 ] - [ 0.0001635500000000, 0.0000484200000000, -0.0000362800000000 ] - [ 0.0002905000000000, -0.0000849200000000, 0.0003070900000000 ] - [ 0.0001634600000000, 0.0000364500000000, 0.0000488300000000 ] - [ 0.0004212000000000, 0.0002582300000000, -0.0002006100000000 ] - [ 0.0007377900000000, -0.0004108800000000, -0.0004641600000000 ] - [ 0.0001474300000000, 0.0000360000000000, -0.0000059300000000 ] - [ 0.0001532600000000, -0.0000242400000000, 0.0000031200000000 ] - [ 0.0004208700000000, 0.0002016500000000, 0.0002000500000000 ] - [ 0.0007376600000000, -0.0004051500000000, 0.0004625900000000 ] - [ -0.0005753300000000, 0.0001030200000000, -0.0000777000000000 ] - [ -0.0021071700000000, 0.0000573900000000, 0.0001324700000000 ] - [ -0.0001575200000000, 0.0000319900000000, -0.0000087800000000 ] - [ -0.0001653300000000, -0.0000194800000000, -0.0000017500000000 ] - [ -0.0005750800000000, 0.0000633700000000, 0.0000813800000000 ] - [ -0.0021069200000000, 0.0000491200000000, -0.0001107600000000 ] - [ 0.0008481800000000, -0.0003646700000000, 0.0000179400000000 ] - [ 0.0008481800000000, 0.0002525200000000, -0.0000358700000000 ] - [ 0.0001736700000000, -0.0000096900000000, 0.0000283500000000 ] - [ 0.0001617600000000, 0.0000285100000000, 0.0001057100000000 ] - [ 0.0001614900000000, -0.0000062000000000, -0.0000304900000000 ] - [ 0.0001738000000000, 0.0000384600000000, -0.0000986900000000 ] - [ -0.0000892000000000, -0.0025737600000000, 0.0000185100000000 ] - [ -0.0000917500000000, 0.0025439000000000, 0.0000196700000000 ] - [ -0.0001532000000000, -0.0000485800000000, 0.0001492100000000 ] - [ -0.0001413300000000, 0.0000521300000000, 0.0002085500000000 ] - [ -0.0001410600000000, -0.0000502000000000, -0.0001449100000000 ] - [ -0.0001535300000000, 0.0000614800000000, -0.0002108000000000 ] - [ 0.0005306100000000, -0.0015368000000000, 0.0038971400000000 ] - [ -0.0001935500000000, 0.0001883800000000, 0.0000241400000000 ] - [ -0.0000936200000000, -0.0000325000000000, -0.0000051700000000 ] - [ -0.0000383300000000, 0.0000292500000000, 0.0000018300000000 ] - [ 0.0005298100000000, -0.0015545500000000, -0.0039221400000000 ] - [ -0.0001935700000000, 0.0002019400000000, -0.0000159200000000 ] - [ 0.0009652300000000, -0.0000848200000000, 0.0003315300000000 ] - [ 0.0002200600000000, 0.0001038500000000, -0.0000135300000000 ] - [ 0.0001015400000000, -0.0000295600000000, -0.0000021000000000 ] - [ 0.0000448900000000, 0.0000253100000000, 0.0000001200000000 ] - [ 0.0009649700000000, -0.0001336500000000, -0.0003311600000000 ] - [ 0.0002200500000000, 0.0001010500000000, 0.0000146300000000 ] - [ -0.0000038200000000, 0.0074509100000000, 0.0011222200000000 ] - [ -0.0000391000000000, -0.0033528000000000, -0.0004956800000000 ] - [ -0.0000757900000000, 0.0010563600000000, -0.0020694600000000 ] - [ -0.0001042300000000, 0.0005356200000000, -0.0012969700000000 ] - [ -0.0000637700000000, 0.0011077300000000, -0.0003874300000000 ] - [ -0.0001132600000000, 0.0005659600000000, -0.0006990100000000 ] - [ 0.0018899900000000, 0.0020039100000000, -0.0118377800000000 ] - [ -0.0001026700000000, -0.0008627800000000, -0.0014198400000000 ] - [ -0.0000443800000000, -0.0007564800000000, -0.0011212900000000 ] - [ -0.0000212900000000, -0.0005888500000000, -0.0009558300000000 ] - [ 0.0004778100000000, 0.0009245100000000, 0.0047879600000000 ] - [ -0.0001043100000000, -0.0010544200000000, -0.0004046500000000 ] - [ 0.0107232400000000, 0.0023097400000000, -0.0021598500000000 ] - [ 0.0002081200000000, 0.0002382000000000, -0.0009514200000000 ] - [ 0.0002258500000000, 0.0000221900000000, 0.0004667200000000 ] - [ 0.0000707700000000, 0.0004902400000000, -0.0006293200000000 ] - [ 0.0002537700000000, 0.0000263700000000, -0.0015419300000000 ] - [ 0.0000632400000000, 0.0004143800000000, -0.0010700000000000 ] - [ 0.0006968400000000, -0.0010243800000000, -0.0006159600000000 ] - [ 0.0012077400000000, 0.0009761700000000, 0.0019588500000000 ] - [ 0.0000415400000000, -0.0004083500000000, -0.0008358600000000 ] - [ 0.0000380700000000, -0.0003103000000000, -0.0007536600000000 ] - [ 0.0006954200000000, -0.0009643600000000, -0.0012306300000000 ] - [ 0.0010641500000000, 0.0014941300000000, -0.0028084600000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0048161500000000, -0.0004432700000000, 0.0014273600000000 ] - [ -0.0001601600000000, -0.0003815400000000, 0.0006509700000000 ] - [ -0.0000289700000000, 0.0001117300000000, 0.0005350300000000 ] - [ -0.0000214000000000, 0.0001246700000000, 0.0008836900000000 ] - [ -0.0001441700000000, 0.0004838400000000, 0.0018426800000000 ] - [ -0.0000347300000000, 0.0001838700000000, 0.0012358600000000 ] - [ -0.0000249100000000, 0.0008175200000000, 0.0022975400000000 ] - [ -0.0001448500000000, -0.0008235900000000, 0.0016460300000000 ] - [ -0.0001326400000000, 0.0008026400000000, -0.0009369300000000 ] - [ -0.0000658900000000, -0.0003174800000000, 0.0006530700000000 ] - [ -0.0000179200000000, -0.0001533500000000, 0.0010946500000000 ] - [ -0.0000260900000000, -0.0002003400000000, 0.0010633000000000 ] - [ 0.0010034600000000, 0.0013777900000000, 0.0001935700000000 ] - [ 0.0010989700000000, -0.0020906600000000, -0.0000583600000000 ] - [ 0.0002776100000000, 0.0001140700000000, -0.0003402400000000 ] - [ 0.0001518000000000, -0.0002255900000000, -0.0002334200000000 ] - [ 0.0001965200000000, 0.0000657900000000, 0.0001059800000000 ] - [ 0.0001337400000000, -0.0002442800000000, 0.0001050900000000 ] - [ -0.0046449300000000, -0.0001258900000000, -0.0006351100000000 ] - [ -0.0003252700000000, 0.0000522500000000, 0.0000725300000000 ] - [ -0.0047623100000000, -0.0002504100000000, -0.0016512400000000 ] - [ -0.0003213300000000, 0.0000774300000000, -0.0002218000000000 ] - [ -0.0002157100000000, 0.0000174700000000, -0.0000965200000000 ] - [ -0.0001183100000000, 0.0001261900000000, -0.0000775600000000 ] - [ -0.0018676700000000, 0.0010701200000000, 0.0001477000000000 ] - [ -0.0041651400000000, 0.0015533600000000, -0.0000332000000000 ] - [ -0.0003757700000000, 0.0001177500000000, -0.0003066800000000 ] - [ -0.0002757100000000, -0.0001796600000000, -0.0001667800000000 ] - [ -0.0003016000000000, 0.0000737800000000, 0.0000505200000000 ] - [ -0.0002789300000000, -0.0001944700000000, 0.0000131300000000 ] - [ 0.0011210600000000, 0.0003684000000000, 0.0016841900000000 ] - [ 0.0001946700000000, 0.0000910100000000, 0.0001057700000000 ] - [ 0.0011920400000000, -0.0000900900000000, -0.0018823400000000 ] - [ 0.0001989300000000, 0.0001138300000000, -0.0002360500000000 ] - [ 0.0001591600000000, 0.0000318200000000, -0.0000887100000000 ] - [ 0.0000934600000000, 0.0001343700000000, -0.0000740100000000 ] - [ 0.0002221500000000, -0.0001964900000000, 0.0010458500000000 ] - [ 0.0022617900000000, 0.0024125300000000, 0.0025423400000000 ] - [ 0.0000345900000000, 0.0002267900000000, 0.0011508400000000 ] - [ 0.0000459200000000, 0.0002889600000000, 0.0014543500000000 ] - [ 0.0001403100000000, 0.0000209600000000, 0.0007313600000000 ] - [ 0.0001446200000000, 0.0000933100000000, 0.0001447700000000 ] - [ 0.0019801300000000, 0.0016005300000000, -0.0014207200000000 ] - [ 0.0001463500000000, -0.0003395700000000, 0.0010203500000000 ] - [ 0.0004950100000000, -0.0002280100000000, 0.0025343800000000 ] - [ 0.0001339600000000, -0.0003952800000000, 0.0012271900000000 ] - [ 0.0000510300000000, -0.0002053600000000, 0.0009007800000000 ] - [ 0.0000177700000000, -0.0001552800000000, 0.0009525100000000 ] - [ -0.0124877000000000, 0.0034615000000000, -0.0004314900000000 ] - [ -0.0001644000000000, 0.0000553200000000, -0.0000684700000000 ] - [ -0.0002494800000000, -0.0002538100000000, 0.0003314600000000 ] - [ -0.0000694800000000, -0.0000364900000000, 0.0000532300000000 ] - [ -0.0001734000000000, -0.0002212800000000, -0.0004545000000000 ] - [ -0.0000596300000000, -0.0000288100000000, -0.0001772800000000 ] - [ 0.0005618900000000, -0.0000736500000000, -0.0002132200000000 ] - [ 0.0009831600000000, 0.0007427300000000, -0.0002748900000000 ] - [ 0.0005718600000000, -0.0000138700000000, 0.0000920800000000 ] - [ 0.0010257500000000, 0.0006385900000000, 0.0004565100000000 ] - [ 0.0001099000000000, 0.0001209600000000, -0.0000605600000000 ] - [ 0.0001414900000000, 0.0001869700000000, -0.0000492800000000 ] - [ 0.0038514500000000, -0.0004456100000000, -0.0000268900000000 ] - [ 0.0003670000000000, -0.0001017900000000, -0.0000646800000000 ] - [ 0.0004559800000000, -0.0003323400000000, 0.0001530800000000 ] - [ 0.0001290400000000, -0.0000756900000000, 0.0000234500000000 ] - [ 0.0004171400000000, -0.0002836900000000, -0.0001957400000000 ] - [ 0.0001261500000000, -0.0000831100000000, -0.0001283900000000 ] - [ 0.0001095500000000, -0.0007638700000000, -0.0006970300000000 ] - [ 0.0001156800000000, 0.0011904000000000, -0.0009714500000000 ] - [ 0.0000706900000000, -0.0006815800000000, 0.0005162700000000 ] - [ -0.0000834300000000, 0.0010343700000000, 0.0008441600000000 ] - [ -0.0000677500000000, 0.0000941000000000, -0.0000651500000000 ] - [ -0.0000984200000000, 0.0001779500000000, -0.0000549200000000 ] - [ 0.0391497500000000, -0.0019910900000000, -0.0018303300000000 ] - [ 0.0002636400000000, -0.0000330600000000, 0.0000003500000000 ] - [ 0.0002673800000000, 0.0000780200000000, 0.0001515600000000 ] - [ 0.0000949400000000, -0.0000461900000000, 0.0000216400000000 ] - [ 0.0002675400000000, 0.0000769100000000, -0.0001462100000000 ] - [ 0.0000950600000000, -0.0000359300000000, -0.0000198700000000 ] - [ -0.0047971800000000, -0.0001540400000000, 0.0000534200000000 ] - [ -0.0002036100000000, -0.0000869100000000, 0.0000055300000000 ] - [ -0.0002007200000000, 0.0000799200000000, 0.0003035500000000 ] - [ -0.0000747400000000, -0.0000533700000000, 0.0000454100000000 ] - [ -0.0002006000000000, 0.0000796400000000, -0.0002999600000000 ] - [ -0.0000747500000000, -0.0000413600000000, -0.0000391900000000 ] - [ -0.0003314200000000, -0.0002524600000000, 0.0002090900000000 ] - [ -0.0006485100000000, 0.0004188800000000, 0.0004778700000000 ] - [ -0.0000587800000000, -0.0000302400000000, 0.0000151200000000 ] - [ -0.0000643900000000, 0.0000297900000000, 0.0000059900000000 ] - [ -0.0003317800000000, -0.0001968100000000, -0.0001903100000000 ] - [ -0.0006486300000000, 0.0004145600000000, -0.0004576500000000 ] - [ 0.0004857300000000, -0.0000960500000000, 0.0000804100000000 ] - [ 0.0020152600000000, -0.0000679900000000, -0.0001497200000000 ] - [ 0.0000686800000000, -0.0000264200000000, 0.0000128900000000 ] - [ 0.0000764800000000, 0.0000247500000000, 0.0000057900000000 ] - [ 0.0004859200000000, -0.0000564500000000, -0.0000761900000000 ] - [ 0.0020155200000000, -0.0000606400000000, 0.0001367600000000 ] - [ -0.0009364500000000, 0.0003589300000000, -0.0000135400000000 ] - [ -0.0009364000000000, -0.0002543200000000, 0.0000395800000000 ] - [ -0.0002616400000000, 0.0000040900000000, -0.0000237800000000 ] - [ -0.0002495200000000, -0.0000331800000000, -0.0001004200000000 ] - [ -0.0002498200000000, 0.0000002500000000, 0.0000343400000000 ] - [ -0.0002614800000000, -0.0000429100000000, 0.0001019300000000 ] - [ 0.0001725400000000, 0.0025639800000000, -0.0000090300000000 ] - [ 0.0001701600000000, -0.0025354400000000, -0.0000103900000000 ] - [ 0.0002406700000000, 0.0000431400000000, -0.0001398500000000 ] - [ 0.0002283100000000, -0.0000574100000000, -0.0001985400000000 ] - [ 0.0002284200000000, 0.0000451100000000, 0.0001543600000000 ] - [ 0.0002404100000000, -0.0000664600000000, 0.0002195600000000 ] - [ -0.0004483300000000, 0.0015306300000000, -0.0038690300000000 ] - [ 0.0002801100000000, -0.0001820700000000, -0.0000153900000000 ] - [ 0.0001811600000000, 0.0000379200000000, 0.0000146100000000 ] - [ 0.0001261600000000, -0.0000235000000000, 0.0000075500000000 ] - [ -0.0004492900000000, 0.0015481000000000, 0.0039104300000000 ] - [ 0.0002801500000000, -0.0001955800000000, 0.0000253700000000 ] - [ -0.0010536800000000, 0.0000884800000000, -0.0003273500000000 ] - [ -0.0003078100000000, -0.0000967300000000, 0.0000179400000000 ] - [ -0.0001895400000000, 0.0000347100000000, 0.0000059200000000 ] - [ -0.0001332600000000, -0.0000195200000000, 0.0000039400000000 ] - [ -0.0010539600000000, 0.0001361100000000, 0.0003348100000000 ] - [ -0.0003076100000000, -0.0000940900000000, -0.0000110100000000 ] - [ 0.0000087100000000, -0.0064118800000000, -0.0029039500000000 ] - [ 0.0000972500000000, 0.0044081800000000, -0.0012963500000000 ] - [ 0.0000772400000000, -0.0000131000000000, 0.0002712500000000 ] - [ 0.0001070400000000, 0.0005062200000000, -0.0004996700000000 ] - [ 0.0000643000000000, -0.0000636700000000, -0.0014059100000000 ] - [ 0.0001167400000000, 0.0004759900000000, -0.0010946200000000 ] - [ -0.0018605500000000, -0.0030858200000000, 0.0100988800000000 ] - [ 0.0001046300000000, -0.0001804300000000, -0.0003779600000000 ] - [ 0.0000456900000000, -0.0002862400000000, -0.0006739700000000 ] - [ 0.0000217300000000, -0.0004532600000000, -0.0008386700000000 ] - [ -0.0004296400000000, -0.0019769100000000, -0.0066160200000000 ] - [ 0.0001052400000000, 0.0000100700000000, -0.0013870100000000 ] - [ -0.0106541900000000, -0.0013357000000000, 0.0003752400000000 ] - [ -0.0002099200000000, 0.0008037900000000, -0.0008422300000000 ] - [ -0.0002273500000000, 0.0010163600000000, -0.0022546800000000 ] - [ -0.0000710700000000, 0.0005510000000000, -0.0011648300000000 ] - [ -0.0002558300000000, 0.0010126600000000, -0.0002555000000000 ] - [ -0.0000636800000000, 0.0006267800000000, -0.0007246900000000 ] - [ -0.0006970000000000, -0.0000165100000000, -0.0011777600000000 ] - [ -0.0012067500000000, -0.0020081200000000, -0.0037317000000000 ] - [ -0.0000418400000000, -0.0006328200000000, -0.0009581900000000 ] - [ -0.0000387300000000, -0.0007294200000000, -0.0010395500000000 ] - [ -0.0006954500000000, -0.0000773000000000, -0.0005632000000000 ] - [ -0.0010642400000000, -0.0025229700000000, 0.0010031300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014675500000000, 0.0041089200000000, 0.0016304900000000 ] - [ 0.0010505700000000, -0.0028373300000000, -0.0002916300000000 ] - [ -0.0000178000000000, 0.0003745500000000, 0.0014762900000000 ] - [ 0.0000164300000000, -0.0000465900000000, 0.0006431200000000 ] - [ 0.0000026900000000, 0.0002315700000000, 0.0004539600000000 ] - [ 0.0000050200000000, -0.0000322400000000, 0.0015788900000000 ] - [ -0.0010330200000000, -0.0001866600000000, -0.0010962800000000 ] - [ 0.0012906900000000, -0.0027173500000000, 0.0036960400000000 ] - [ -0.0000584000000000, -0.0005265400000000, 0.0028745600000000 ] - [ 0.0002783200000000, -0.0006237100000000, -0.0001619700000000 ] - [ -0.0000140000000000, -0.0001210900000000, 0.0009199500000000 ] - [ 0.0000343100000000, -0.0003043600000000, 0.0011669800000000 ] - [ -0.0014224700000000, -0.0015273800000000, -0.0001529200000000 ] - [ 0.0034557100000000, -0.0005306700000000, -0.0000084400000000 ] - [ -0.0001726800000000, -0.0004100900000000, 0.0002081500000000 ] - [ 0.0001857000000000, 0.0001748600000000, -0.0002910500000000 ] - [ -0.0000981900000000, -0.0003485600000000, -0.0002651300000000 ] - [ 0.0001336300000000, 0.0001084400000000, 0.0001463900000000 ] - [ 0.0001900200000000, 0.0047217100000000, 0.0003930400000000 ] - [ -0.0002758500000000, -0.0010824600000000, 0.0000810100000000 ] - [ 0.0003526200000000, 0.0046404400000000, 0.0012516200000000 ] - [ -0.0003038700000000, -0.0009297300000000, -0.0003395800000000 ] - [ 0.0000520200000000, 0.0003366300000000, -0.0000323000000000 ] - [ -0.0000865200000000, -0.0001097200000000, -0.0000754400000000 ] - [ -0.0006928500000000, -0.0034188900000000, -0.0001469700000000 ] - [ -0.0010542800000000, 0.0140174600000000, 0.0002344300000000 ] - [ 0.0000887600000000, -0.0004092600000000, 0.0002566600000000 ] - [ 0.0000073200000000, 0.0001618500000000, -0.0004528400000000 ] - [ 0.0000025100000000, -0.0003576000000000, -0.0003228600000000 ] - [ 0.0000727700000000, 0.0001258700000000, 0.0003541600000000 ] - [ -0.0006379300000000, 0.0013756700000000, -0.0002404800000000 ] - [ 0.0003898700000000, -0.0009332000000000, 0.0000858800000000 ] - [ -0.0008964800000000, 0.0016437700000000, 0.0007622800000000 ] - [ 0.0004144700000000, -0.0007150200000000, -0.0004075600000000 ] - [ -0.0000684200000000, 0.0003215800000000, -0.0000266900000000 ] - [ 0.0000985400000000, -0.0001004500000000, -0.0000763600000000 ] - [ 0.0001298700000000, -0.0006842500000000, 0.0008084400000000 ] - [ -0.0004911300000000, 0.0021205400000000, 0.0012660200000000 ] - [ 0.0000101800000000, -0.0000473200000000, 0.0010643500000000 ] - [ -0.0000208900000000, 0.0004654200000000, 0.0009595500000000 ] - [ 0.0001100000000000, -0.0003168300000000, 0.0006186400000000 ] - [ -0.0001704400000000, 0.0008721700000000, 0.0015094200000000 ] - [ 0.0001286800000000, 0.0014023900000000, 0.0000935800000000 ] - [ 0.0000396100000000, -0.0009307100000000, 0.0013110400000000 ] - [ -0.0000691000000000, 0.0007292700000000, 0.0007735800000000 ] - [ 0.0000742600000000, -0.0008268100000000, 0.0012375800000000 ] - [ 0.0000211500000000, 0.0000481300000000, 0.0009719300000000 ] - [ -0.0000128700000000, -0.0003988200000000, 0.0010805700000000 ] - [ -0.0033125400000000, 0.0053509100000000, -0.0001763700000000 ] - [ -0.0004590200000000, -0.0011886700000000, -0.0000357900000000 ] - [ 0.0002110600000000, 0.0001755900000000, 0.0000511700000000 ] - [ -0.0000915500000000, -0.0003959200000000, -0.0001257200000000 ] - [ 0.0002198700000000, 0.0002131700000000, -0.0002402100000000 ] - [ -0.0000991100000000, -0.0004293100000000, 0.0000516000000000 ] - [ 0.0000109700000000, -0.0001194400000000, -0.0002481300000000 ] - [ -0.0001621600000000, 0.0003965300000000, 0.0001512300000000 ] - [ 0.0000197500000000, -0.0001025200000000, 0.0000701300000000 ] - [ -0.0002060500000000, 0.0002705900000000, -0.0002742700000000 ] - [ -0.0000594500000000, 0.0000632100000000, -0.0000658700000000 ] - [ 0.0000017300000000, 0.0001539300000000, -0.0000518500000000 ] - [ 0.0005915600000000, 0.0006258100000000, -0.0001781500000000 ] - [ 0.0001077500000000, -0.0007010100000000, -0.0000357400000000 ] - [ -0.0001262600000000, 0.0001038100000000, -0.0000444700000000 ] - [ 0.0000496100000000, -0.0003243900000000, -0.0000796900000000 ] - [ -0.0001064500000000, 0.0001454800000000, -0.0001196300000000 ] - [ 0.0000509800000000, -0.0003557900000000, -0.0000006000000000 ] - [ 0.0008208800000000, -0.0006215000000000, -0.0006928100000000 ] - [ -0.0015297300000000, 0.0000060400000000, 0.0011211600000000 ] - [ 0.0007424000000000, -0.0005603700000000, 0.0004441000000000 ] - [ -0.0013154000000000, 0.0000351000000000, -0.0010117600000000 ] - [ 0.0000844700000000, 0.0000491100000000, -0.0000675700000000 ] - [ -0.0000438000000000, 0.0001672200000000, -0.0000475600000000 ] - [ 0.0024947400000000, -0.0401267100000000, 0.0008554400000000 ] - [ -0.0000132100000000, 0.0013581900000000, -0.0000102500000000 ] - [ -0.0001235800000000, -0.0002962100000000, -0.0001213800000000 ] - [ -0.0000101600000000, 0.0002369000000000, 0.0000604800000000 ] - [ -0.0001245100000000, -0.0002962300000000, 0.0001259200000000 ] - [ 0.0000002000000000, 0.0002368400000000, -0.0000595600000000 ] - [ -0.0000984500000000, -0.0018537700000000, 0.0001226700000000 ] - [ -0.0000417400000000, 0.0008166800000000, -0.0000202300000000 ] - [ 0.0001261400000000, -0.0002144800000000, -0.0001166800000000 ] - [ 0.0000045800000000, 0.0002010700000000, 0.0000661600000000 ] - [ 0.0001265200000000, -0.0002144300000000, 0.0000833300000000 ] - [ -0.0000073900000000, 0.0002010100000000, -0.0000601600000000 ] - [ 0.0002427300000000, 0.0004648300000000, -0.0003117200000000 ] - [ -0.0003667200000000, -0.0004160900000000, 0.0006520500000000 ] - [ 0.0000767000000000, 0.0001016900000000, -0.0000032500000000 ] - [ 0.0000165300000000, -0.0001007100000000, -0.0000028700000000 ] - [ 0.0002980300000000, 0.0004640100000000, 0.0003148800000000 ] - [ -0.0003716900000000, -0.0004162500000000, -0.0005992500000000 ] - [ -0.0001038500000000, 0.0008041800000000, -0.0007124600000000 ] - [ -0.0000986700000000, 0.0014133800000000, 0.0049347300000000 ] - [ -0.0000727500000000, 0.0001093600000000, -0.0000051400000000 ] - [ -0.0000213100000000, -0.0001154700000000, -0.0000073300000000 ] - [ -0.0001428400000000, 0.0008038100000000, 0.0006999200000000 ] - [ -0.0001064800000000, 0.0014125800000000, -0.0049564100000000 ] - [ 0.0002098100000000, 0.0001171100000000, 0.0000159600000000 ] - [ -0.0004058100000000, 0.0001149600000000, 0.0000007600000000 ] - [ -0.0000025000000000, 0.0000091300000000, -0.0001092000000000 ] - [ -0.0000467300000000, -0.0000049500000000, 0.0001370700000000 ] - [ -0.0000123400000000, -0.0000043100000000, 0.0001022400000000 ] - [ -0.0000503900000000, 0.0000084700000000, -0.0001302000000000 ] - [ -0.0024795100000000, 0.0026824600000000, -0.0000126900000000 ] - [ 0.0026227000000000, 0.0027067700000000, 0.0000320600000000 ] - [ -0.0000207600000000, 0.0000273900000000, -0.0002103400000000 ] - [ 0.0000912300000000, 0.0000204000000000, 0.0003013700000000 ] - [ -0.0000115700000000, 0.0000214400000000, 0.0002146700000000 ] - [ 0.0000895000000000, 0.0000266200000000, -0.0002999100000000 ] - [ -0.0015083700000000, -0.0007712800000000, -0.0021351100000000 ] - [ 0.0002425500000000, 0.0005688900000000, 0.0002295500000000 ] - [ 0.0000081400000000, -0.0000628900000000, -0.0000006700000000 ] - [ 0.0000699100000000, 0.0000768900000000, 0.0000022800000000 ] - [ -0.0014912500000000, -0.0007709200000000, 0.0021584200000000 ] - [ 0.0002291100000000, 0.0005689400000000, -0.0002007300000000 ] - [ 0.0000915700000000, -0.0002281000000000, -0.0001779300000000 ] - [ -0.0001409900000000, 0.0002766600000000, 0.0000971200000000 ] - [ -0.0000112400000000, -0.0000583000000000, -0.0000068900000000 ] - [ -0.0000659900000000, 0.0000655900000000, 0.0000004700000000 ] - [ 0.0000432100000000, -0.0002279300000000, 0.0001494000000000 ] - [ -0.0001437500000000, 0.0002766000000000, -0.0000790500000000 ] - [ 0.0047562100000000, 0.0066990600000000, 0.0005539900000000 ] - [ -0.0068747300000000, 0.0081082900000000, -0.0024518400000000 ] - [ 0.0000669000000000, 0.0008988500000000, -0.0020666000000000 ] - [ -0.0001722900000000, 0.0002707000000000, 0.0001914100000000 ] - [ 0.0000741500000000, 0.0007934400000000, -0.0003605800000000 ] - [ -0.0001782100000000, 0.0003906900000000, -0.0014259200000000 ] - [ 0.0031437700000000, -0.0028846500000000, -0.0090606500000000 ] - [ -0.0001514000000000, 0.0013156300000000, 0.0009183700000000 ] - [ 0.0000108700000000, -0.0008613200000000, -0.0010944800000000 ] - [ -0.0000063800000000, -0.0001651100000000, -0.0007810600000000 ] - [ 0.0019526300000000, -0.0025137500000000, 0.0031080500000000 ] - [ 0.0000043100000000, 0.0019598100000000, -0.0022091000000000 ] - [ -0.0010868600000000, -0.0031372400000000, -0.0003970300000000 ] - [ 0.0002680400000000, 0.0018571400000000, -0.0010170800000000 ] - [ -0.0000780300000000, -0.0000780800000000, -0.0006855300000000 ] - [ 0.0000515400000000, 0.0010307100000000, -0.0010934900000000 ] - [ -0.0001154300000000, -0.0001923200000000, -0.0009872400000000 ] - [ 0.0000710800000000, 0.0011166000000000, -0.0008479800000000 ] - [ -0.0006024800000000, 0.0004879900000000, -0.0008716900000000 ] - [ 0.0012614400000000, -0.0018346800000000, -0.0005887400000000 ] - [ -0.0000246900000000, -0.0003159000000000, -0.0009232600000000 ] - [ 0.0000363600000000, -0.0007265000000000, -0.0008694600000000 ] - [ -0.0006324000000000, 0.0005524800000000, -0.0006414100000000 ] - [ 0.0013306300000000, -0.0022508200000000, -0.0013194900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016698900000000, -0.0039175600000000, 0.0004756700000000 ] - [ -0.0010615400000000, 0.0032197300000000, 0.0023355500000000 ] - [ 0.0000173900000000, -0.0000051900000000, 0.0005646300000000 ] - [ -0.0000160800000000, 0.0004181700000000, 0.0013948100000000 ] - [ -0.0000066400000000, 0.0001290100000000, 0.0015784600000000 ] - [ -0.0000044200000000, 0.0004060800000000, 0.0004626400000000 ] - [ 0.0010457100000000, -0.0001950100000000, 0.0031492700000000 ] - [ -0.0012891700000000, 0.0023381600000000, -0.0016572100000000 ] - [ 0.0000584200000000, 0.0001458200000000, -0.0008343100000000 ] - [ -0.0002765900000000, 0.0002520400000000, 0.0021972900000000 ] - [ 0.0000143000000000, -0.0002519600000000, 0.0011189600000000 ] - [ -0.0000341300000000, -0.0000664600000000, 0.0008712000000000 ] - [ 0.0014726100000000, 0.0012980200000000, 0.0000200700000000 ] - [ -0.0033976000000000, 0.0003084900000000, -0.0001190800000000 ] - [ 0.0002149800000000, 0.0001894600000000, -0.0003349200000000 ] - [ -0.0001427700000000, -0.0003938600000000, 0.0001632500000000 ] - [ 0.0001399600000000, 0.0001266100000000, 0.0001389100000000 ] - [ -0.0000912600000000, -0.0003274900000000, -0.0002736000000000 ] - [ -0.0002360500000000, -0.0044927900000000, -0.0005077200000000 ] - [ 0.0002344000000000, 0.0013049900000000, -0.0002078300000000 ] - [ -0.0004014600000000, -0.0044292600000000, -0.0013745600000000 ] - [ 0.0002633500000000, 0.0011521400000000, 0.0002090200000000 ] - [ -0.0000944600000000, -0.0001169200000000, -0.0000962500000000 ] - [ 0.0000447300000000, 0.0003304500000000, -0.0000528300000000 ] - [ 0.0006713500000000, 0.0032259700000000, 0.0000154300000000 ] - [ 0.0007777100000000, -0.0131639000000000, -0.0003321800000000 ] - [ -0.0001304100000000, 0.0001878700000000, -0.0003853300000000 ] - [ -0.0000493900000000, -0.0003803500000000, 0.0003231900000000 ] - [ -0.0000439600000000, 0.0001356300000000, 0.0001957400000000 ] - [ -0.0001146000000000, -0.0003438500000000, -0.0004818100000000 ] - [ 0.0006714100000000, -0.0011606000000000, 0.0001095200000000 ] - [ -0.0003458900000000, 0.0011537800000000, -0.0002127100000000 ] - [ 0.0009321600000000, -0.0014239900000000, -0.0008883700000000 ] - [ -0.0003721300000000, 0.0009358400000000, 0.0002805900000000 ] - [ 0.0001106300000000, -0.0001016100000000, -0.0001006600000000 ] - [ -0.0000563800000000, 0.0003212100000000, -0.0000505600000000 ] - [ -0.0001318700000000, 0.0010542300000000, 0.0012279400000000 ] - [ 0.0004895900000000, -0.0017383900000000, 0.0007748100000000 ] - [ -0.0000099800000000, 0.0004183600000000, 0.0009739600000000 ] - [ 0.0000211500000000, -0.0000929100000000, 0.0010791700000000 ] - [ -0.0001106100000000, 0.0006894500000000, 0.0014203600000000 ] - [ 0.0001697400000000, -0.0004979900000000, 0.0005290200000000 ] - [ -0.0001239900000000, -0.0017641200000000, 0.0019361900000000 ] - [ -0.0000405600000000, 0.0005593100000000, 0.0007270600000000 ] - [ 0.0000705200000000, -0.0010966500000000, 0.0012665400000000 ] - [ -0.0000747700000000, 0.0004559100000000, 0.0007992900000000 ] - [ -0.0000210000000000, -0.0004193600000000, 0.0010656200000000 ] - [ 0.0000130100000000, 0.0000265100000000, 0.0009582500000000 ] - [ 0.0034451100000000, -0.0055611600000000, 0.0000510700000000 ] - [ 0.0005012100000000, 0.0009678600000000, -0.0000922300000000 ] - [ -0.0001653000000000, -0.0003962700000000, -0.0001767900000000 ] - [ 0.0001358100000000, 0.0001760200000000, -0.0000021700000000 ] - [ -0.0001742800000000, -0.0004344900000000, 0.0001109400000000 ] - [ 0.0001429800000000, 0.0002095200000000, -0.0001780000000000 ] - [ -0.0000562300000000, 0.0003377700000000, 0.0001186200000000 ] - [ 0.0001174700000000, -0.0001730300000000, -0.0002803000000000 ] - [ -0.0000652000000000, 0.0003210500000000, -0.0001989900000000 ] - [ 0.0001616500000000, -0.0000485000000000, 0.0001454300000000 ] - [ 0.0000154800000000, 0.0001565000000000, -0.0000623800000000 ] - [ -0.0000456300000000, 0.0000668100000000, -0.0000767300000000 ] - [ -0.0006230100000000, -0.0008442100000000, 0.0000488300000000 ] - [ -0.0001523900000000, 0.0004812500000000, -0.0000935900000000 ] - [ 0.0000827400000000, -0.0003242600000000, -0.0000835000000000 ] - [ -0.0000939100000000, 0.0001048100000000, -0.0000492900000000 ] - [ 0.0000618400000000, -0.0003663400000000, -0.0000097100000000 ] - [ -0.0000952700000000, 0.0001364200000000, -0.0001275500000000 ] - [ -0.0007830200000000, 0.0008415200000000, 0.0005690300000000 ] - [ 0.0015642800000000, 0.0002165500000000, -0.0012419500000000 ] - [ -0.0007037500000000, 0.0007801000000000, -0.0005753400000000 ] - [ 0.0013513700000000, 0.0001868100000000, 0.0008792800000000 ] - [ -0.0000403200000000, 0.0001706300000000, -0.0000592600000000 ] - [ 0.0000879200000000, 0.0000535500000000, -0.0000795600000000 ] - [ -0.0022368600000000, 0.0390583100000000, -0.0010271800000000 ] - [ -0.0000747400000000, -0.0013676500000000, 0.0000148200000000 ] - [ 0.0000351500000000, 0.0002899500000000, 0.0001228900000000 ] - [ -0.0000779400000000, -0.0002417500000000, -0.0000553500000000 ] - [ 0.0000362800000000, 0.0002898900000000, -0.0001176000000000 ] - [ -0.0000879900000000, -0.0002418000000000, 0.0000628700000000 ] - [ 0.0001980000000000, 0.0018454200000000, -0.0001134800000000 ] - [ 0.0001288700000000, -0.0008226900000000, 0.0000301100000000 ] - [ -0.0000376800000000, 0.0002087500000000, 0.0001248100000000 ] - [ 0.0000832800000000, -0.0002059400000000, -0.0000563900000000 ] - [ -0.0000378700000000, 0.0002087900000000, -0.0000725200000000 ] - [ 0.0000951400000000, -0.0002059600000000, 0.0000691100000000 ] - [ -0.0001549700000000, -0.0004576900000000, 0.0003219300000000 ] - [ 0.0004535800000000, 0.0004190800000000, -0.0006411000000000 ] - [ 0.0000112000000000, -0.0000955100000000, 0.0000124200000000 ] - [ 0.0000712900000000, 0.0001059100000000, 0.0000121700000000 ] - [ -0.0002119100000000, -0.0004584800000000, -0.0003066400000000 ] - [ 0.0004587000000000, 0.0004189200000000, 0.0006070700000000 ] - [ 0.0000152600000000, -0.0008004700000000, 0.0007237400000000 ] - [ 0.0000102500000000, -0.0014070200000000, -0.0048960400000000 ] - [ -0.0000151300000000, -0.0001033600000000, 0.0000092100000000 ] - [ -0.0000663800000000, 0.0001204400000000, 0.0000114700000000 ] - [ 0.0000554600000000, -0.0008008100000000, -0.0007026600000000 ] - [ 0.0000180700000000, -0.0014077900000000, 0.0049240900000000 ] - [ -0.0002982000000000, -0.0001188300000000, -0.0000114900000000 ] - [ 0.0003170500000000, -0.0001211000000000, 0.0000035500000000 ] - [ -0.0000849000000000, -0.0000133500000000, 0.0001137800000000 ] - [ -0.0000410200000000, -0.0000007300000000, -0.0001324800000000 ] - [ -0.0000752900000000, 0.0000000400000000, -0.0000982000000000 ] - [ -0.0000373200000000, -0.0000141400000000, 0.0001343400000000 ] - [ 0.0026010000000000, -0.0027104600000000, 0.0000223600000000 ] - [ -0.0025145800000000, -0.0026863900000000, -0.0000219600000000 ] - [ 0.0001082900000000, -0.0000314400000000, 0.0002205100000000 ] - [ -0.0000032900000000, -0.0000263100000000, -0.0002907600000000 ] - [ 0.0000990900000000, -0.0000250400000000, -0.0002059100000000 ] - [ -0.0000015200000000, -0.0000324100000000, 0.0003081700000000 ] - [ 0.0015950800000000, 0.0007955400000000, 0.0021404000000000 ] - [ -0.0001542800000000, -0.0005626600000000, -0.0002190400000000 ] - [ 0.0000795100000000, 0.0000689700000000, 0.0000102300000000 ] - [ 0.0000178400000000, -0.0000713900000000, 0.0000071000000000 ] - [ 0.0015771000000000, 0.0007958100000000, -0.0021450100000000 ] - [ -0.0001407000000000, -0.0005626200000000, 0.0002087400000000 ] - [ -0.0001791100000000, 0.0002350700000000, 0.0001805000000000 ] - [ 0.0000533200000000, -0.0002711800000000, -0.0000924800000000 ] - [ -0.0000765100000000, 0.0000641600000000, 0.0000109200000000 ] - [ -0.0000218600000000, -0.0000601500000000, 0.0000036200000000 ] - [ -0.0001311200000000, 0.0002351600000000, -0.0001437900000000 ] - [ 0.0000561100000000, -0.0002712700000000, 0.0000826600000000 ] - [ -0.0048377300000000, -0.0056668200000000, -0.0023313000000000 ] - [ 0.0068837500000000, -0.0070047200000000, 0.0006651700000000 ] - [ -0.0000666500000000, 0.0001468000000000, 0.0002703000000000 ] - [ 0.0001718600000000, 0.0007684500000000, -0.0019825800000000 ] - [ -0.0000746100000000, 0.0002547100000000, -0.0014343800000000 ] - [ 0.0001778700000000, 0.0006481100000000, -0.0003702100000000 ] - [ -0.0031393500000000, 0.0018840300000000, 0.0072598200000000 ] - [ 0.0001479300000000, -0.0023574000000000, -0.0027165900000000 ] - [ -0.0000103100000000, -0.0001801000000000, -0.0007011000000000 ] - [ 0.0000065300000000, -0.0008767100000000, -0.0010129800000000 ] - [ -0.0019379300000000, 0.0015206100000000, -0.0049048300000000 ] - [ -0.0000064100000000, -0.0030006700000000, 0.0004111200000000 ] - [ 0.0010574400000000, 0.0041519600000000, -0.0013930300000000 ] - [ -0.0002646100000000, -0.0008150500000000, -0.0007775100000000 ] - [ 0.0000775100000000, 0.0011179700000000, -0.0011108500000000 ] - [ -0.0000507600000000, 0.0000104100000000, -0.0006994600000000 ] - [ 0.0001141800000000, 0.0012314500000000, -0.0008061000000000 ] - [ -0.0000705300000000, -0.0000756300000000, -0.0009478000000000 ] - [ 0.0006071300000000, -0.0015281900000000, -0.0009208200000000 ] - [ -0.0012560500000000, 0.0007829400000000, -0.0012073300000000 ] - [ 0.0000248100000000, -0.0007238800000000, -0.0008706000000000 ] - [ -0.0000362600000000, -0.0003158400000000, -0.0009246600000000 ] - [ 0.0006372400000000, -0.0015933500000000, -0.0011534900000000 ] - [ -0.0013238900000000, 0.0011951800000000, -0.0004726600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001047300000000, 0.0017847300000000, 0.0069643600000000 ] - [ -0.0000448000000000, 0.0005285800000000, 0.0016526200000000 ] - [ 0.0001974700000000, 0.0001889000000000, -0.0006155400000000 ] - [ 0.0000891700000000, -0.0002983900000000, 0.0003695200000000 ] - [ -0.0011790000000000, -0.0019215900000000, -0.0016976600000000 ] - [ -0.0001023300000000, 0.0004636200000000, 0.0009930600000000 ] - [ -0.0015117900000000, -0.0031569300000000, 0.0034169000000000 ] - [ 0.0000067800000000, 0.0000447800000000, 0.0019686800000000 ] - [ 0.0011759300000000, 0.0023789600000000, -0.0000453200000000 ] - [ 0.0002191400000000, -0.0008620700000000, 0.0011680600000000 ] - [ -0.0000025800000000, 0.0000595800000000, -0.0003637800000000 ] - [ -0.0000889100000000, 0.0002386100000000, 0.0001075500000000 ] - [ 0.0000964400000000, 0.0003538000000000, 0.0011374800000000 ] - [ 0.0000015000000000, -0.0002054900000000, 0.0010579300000000 ] - [ 0.0003895800000000, 0.0002828400000000, -0.0006705900000000 ] - [ 0.0002452400000000, -0.0004218800000000, -0.0004803400000000 ] - [ -0.0002767000000000, -0.0006358000000000, -0.0005136500000000 ] - [ -0.0001617000000000, 0.0002795200000000, -0.0005331600000000 ] - [ -0.0005089300000000, -0.0001317700000000, 0.0076704100000000 ] - [ -0.0000240800000000, 0.0001466500000000, 0.0001238800000000 ] - [ 0.0023896900000000, 0.0018325100000000, -0.0016172600000000 ] - [ 0.0000107000000000, 0.0000937400000000, 0.0001810400000000 ] - [ -0.0000863600000000, 0.0000785700000000, -0.0010677600000000 ] - [ -0.0000456600000000, 0.0001145600000000, -0.0004906900000000 ] - [ -0.0000749400000000, 0.0001803400000000, 0.0015328200000000 ] - [ -0.0000942300000000, 0.0004395200000000, 0.0042244700000000 ] - [ -0.0001855700000000, 0.0003327700000000, -0.0006851200000000 ] - [ 0.0002312400000000, -0.0008578800000000, -0.0009153800000000 ] - [ 0.0000691900000000, -0.0006439800000000, -0.0006232200000000 ] - [ -0.0003446200000000, 0.0007157400000000, -0.0010604400000000 ] - [ -0.0031856900000000, -0.0003292300000000, -0.0002025800000000 ] - [ -0.0000822800000000, 0.0001417700000000, 0.0001068200000000 ] - [ 0.0029602900000000, 0.0004456500000000, 0.0000236900000000 ] - [ 0.0000910900000000, 0.0000895100000000, 0.0001691200000000 ] - [ 0.0000876000000000, 0.0000699400000000, -0.0008514700000000 ] - [ 0.0000440900000000, 0.0001212300000000, -0.0004672400000000 ] - [ -0.0000610100000000, 0.0005117400000000, 0.0017134900000000 ] - [ -0.0003416500000000, 0.0006170800000000, 0.0022554700000000 ] - [ -0.0000288800000000, 0.0000881400000000, 0.0005811300000000 ] - [ -0.0001092000000000, -0.0002580400000000, 0.0001986100000000 ] - [ 0.0001030100000000, -0.0000412700000000, 0.0007413000000000 ] - [ 0.0002537000000000, 0.0001978200000000, 0.0006342400000000 ] - [ 0.0006805800000000, -0.0005126200000000, 0.0021902200000000 ] - [ 0.0000961100000000, -0.0005466800000000, 0.0015173300000000 ] - [ -0.0005382800000000, -0.0003882900000000, 0.0009098400000000 ] - [ -0.0001059500000000, 0.0000223500000000, 0.0009889400000000 ] - [ 0.0000818900000000, 0.0002373600000000, 0.0000098800000000 ] - [ 0.0000112800000000, -0.0000224200000000, 0.0005478500000000 ] - [ 0.0005249300000000, -0.0002264200000000, 0.0042994800000000 ] - [ -0.0000042500000000, -0.0001026700000000, 0.0003937600000000 ] - [ -0.0006733100000000, -0.0001392000000000, -0.0009221800000000 ] - [ -0.0000403900000000, -0.0002073800000000, -0.0002877000000000 ] - [ 0.0008144100000000, -0.0000884200000000, -0.0010488600000000 ] - [ 0.0001091900000000, -0.0000044200000000, -0.0003096900000000 ] - [ 0.0000121300000000, -0.0001160100000000, 0.0001245000000000 ] - [ 0.0003304100000000, 0.0003118500000000, 0.0001301500000000 ] - [ -0.0000209200000000, 0.0003376000000000, 0.0001510700000000 ] - [ -0.0003243300000000, -0.0000751400000000, 0.0001784700000000 ] - [ -0.0000435800000000, 0.0000990200000000, -0.0004635600000000 ] - [ -0.0000541900000000, 0.0001197600000000, -0.0005127400000000 ] - [ 0.0000503800000000, -0.0001810900000000, 0.0006920000000000 ] - [ 0.0000047800000000, -0.0000991100000000, 0.0003089200000000 ] - [ -0.0001231600000000, -0.0000793500000000, -0.0004927100000000 ] - [ -0.0000388400000000, -0.0001448400000000, -0.0002490400000000 ] - [ -0.0000028300000000, -0.0001119900000000, -0.0004960400000000 ] - [ -0.0000255900000000, -0.0000738800000000, -0.0002578600000000 ] - [ 0.0006899000000000, -0.0006649300000000, 0.0000775200000000 ] - [ 0.0011046100000000, 0.0009708800000000, -0.0002148400000000 ] - [ -0.0006466400000000, 0.0008711600000000, 0.0001236900000000 ] - [ -0.0010025300000000, -0.0006847500000000, -0.0000712600000000 ] - [ 0.0000468500000000, 0.0000972100000000, -0.0005354000000000 ] - [ 0.0000567300000000, 0.0001171400000000, -0.0005910300000000 ] - [ 0.0018383700000000, 0.0010492000000000, -0.0342783000000000 ] - [ -0.0000417600000000, -0.0000158600000000, -0.0003024100000000 ] - [ 0.0001061200000000, 0.0001187000000000, 0.0016291800000000 ] - [ -0.0000211100000000, -0.0000635800000000, 0.0001566400000000 ] - [ -0.0001953100000000, -0.0001255700000000, 0.0016265000000000 ] - [ -0.0000629200000000, 0.0000554600000000, 0.0001572700000000 ] - [ 0.0000950000000000, 0.0001161700000000, -0.0017894400000000 ] - [ 0.0000443600000000, -0.0000278500000000, -0.0002636800000000 ] - [ -0.0002605000000000, 0.0000754100000000, 0.0006694400000000 ] - [ -0.0000008900000000, -0.0000670900000000, 0.0001381200000000 ] - [ 0.0003416300000000, -0.0001233400000000, 0.0006690400000000 ] - [ 0.0000839800000000, 0.0000588200000000, 0.0001387600000000 ] - [ -0.0001519900000000, -0.0003081600000000, -0.0001829800000000 ] - [ -0.0004177800000000, 0.0006066200000000, -0.0001371100000000 ] - [ 0.0000536800000000, 0.0000104600000000, 0.0003972300000000 ] - [ 0.0000445400000000, 0.0000102200000000, 0.0004290400000000 ] - [ 0.0002477400000000, 0.0003190400000000, -0.0001818100000000 ] - [ 0.0005133900000000, -0.0006428400000000, -0.0001345200000000 ] - [ 0.0000354100000000, -0.0006996600000000, -0.0001507800000000 ] - [ -0.0001676700000000, 0.0049686600000000, 0.0032736200000000 ] - [ -0.0000541000000000, 0.0000096700000000, 0.0004375800000000 ] - [ -0.0000469700000000, 0.0000120500000000, 0.0005994700000000 ] - [ -0.0001221800000000, 0.0007195900000000, -0.0001489300000000 ] - [ 0.0000967900000000, -0.0048882100000000, 0.0032483600000000 ] - [ -0.0000810300000000, -0.0000031300000000, -0.0004216000000000 ] - [ -0.0000269700000000, 0.0000108100000000, -0.0004215500000000 ] - [ -0.0001434100000000, -0.0001348400000000, 0.0002146000000000 ] - [ -0.0000755100000000, 0.0000979700000000, 0.0002089400000000 ] - [ 0.0000601400000000, 0.0001320300000000, 0.0002093700000000 ] - [ -0.0000169900000000, -0.0001136500000000, 0.0002150000000000 ] - [ 0.0000250800000000, 0.0000297000000000, -0.0012939800000000 ] - [ 0.0000254700000000, -0.0000259000000000, -0.0012940100000000 ] - [ 0.0002583100000000, -0.0003071700000000, 0.0003999200000000 ] - [ 0.0001928600000000, 0.0002083500000000, 0.0003910200000000 ] - [ -0.0001607000000000, 0.0002930400000000, 0.0003906500000000 ] - [ -0.0001012700000000, -0.0002173400000000, 0.0003995200000000 ] - [ 0.0039776400000000, -0.0021610500000000, 0.0026002700000000 ] - [ 0.0000632000000000, 0.0002076700000000, -0.0001311800000000 ] - [ 0.0000526900000000, 0.0000079400000000, 0.0006166300000000 ] - [ 0.0000458600000000, 0.0000052200000000, 0.0002675700000000 ] - [ -0.0038230300000000, 0.0021290600000000, 0.0025812900000000 ] - [ 0.0000228500000000, -0.0002213200000000, -0.0001298700000000 ] - [ -0.0003763000000000, -0.0001440700000000, -0.0002199300000000 ] - [ -0.0000300300000000, 0.0000834800000000, -0.0001139000000000 ] - [ -0.0000469900000000, 0.0000114100000000, 0.0004381600000000 ] - [ -0.0000451000000000, 0.0000043000000000, 0.0002281900000000 ] - [ 0.0002859200000000, 0.0001816800000000, -0.0002173900000000 ] - [ -0.0000585800000000, -0.0000921400000000, -0.0001130800000000 ] - [ 0.0005963400000000, -0.0004657000000000, -0.0065294600000000 ] - [ 0.0001317500000000, 0.0001083900000000, -0.0025765000000000 ] - [ -0.0002330200000000, -0.0004285900000000, 0.0012282900000000 ] - [ -0.0005569600000000, 0.0014813100000000, -0.0003609400000000 ] - [ 0.0001122200000000, 0.0020566500000000, 0.0009900600000000 ] - [ 0.0005587500000000, -0.0004020100000000, 0.0000112800000000 ] - [ -0.0116132800000000, -0.0089750100000000, 0.0023956600000000 ] - [ -0.0000828300000000, -0.0001795800000000, -0.0017633200000000 ] - [ -0.0000033400000000, -0.0005380300000000, 0.0011440800000000 ] - [ -0.0000120000000000, -0.0006459400000000, 0.0000765300000000 ] - [ 0.0083055200000000, 0.0057995700000000, 0.0041282600000000 ] - [ 0.0001166100000000, -0.0007787900000000, -0.0010121400000000 ] - [ -0.0003394800000000, 0.0006064200000000, -0.0032099000000000 ] - [ -0.0000131100000000, 0.0004148400000000, -0.0017213100000000 ] - [ 0.0006128800000000, 0.0010242500000000, -0.0001034700000000 ] - [ 0.0000843600000000, 0.0006227100000000, -0.0005960400000000 ] - [ -0.0005989800000000, 0.0000188600000000, 0.0001673200000000 ] - [ -0.0000771600000000, 0.0005110500000000, -0.0003750100000000 ] - [ 0.0004690400000000, -0.0011309900000000, -0.0015596400000000 ] - [ 0.0013085000000000, -0.0004390500000000, -0.0018025700000000 ] - [ -0.0000000500000000, -0.0005574100000000, -0.0002348500000000 ] - [ 0.0000130400000000, -0.0006162300000000, 0.0002581700000000 ] - [ -0.0004835600000000, 0.0001167400000000, -0.0009258300000000 ] - [ -0.0012627800000000, -0.0005250600000000, -0.0007157900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001111600000000, -0.0014045000000000, -0.0049167900000000 ] - [ 0.0000405500000000, -0.0001466400000000, 0.0003891300000000 ] - [ -0.0001973200000000, 0.0001843300000000, 0.0026528200000000 ] - [ -0.0000884900000000, 0.0006697900000000, 0.0016675500000000 ] - [ 0.0011720600000000, 0.0022846400000000, 0.0037273600000000 ] - [ 0.0001027800000000, -0.0000917700000000, 0.0010406600000000 ] - [ 0.0015188800000000, 0.0027966600000000, -0.0013894800000000 ] - [ -0.0000090000000000, -0.0004143000000000, 0.0000560100000000 ] - [ -0.0011710900000000, -0.0027469700000000, 0.0020827300000000 ] - [ -0.0002177400000000, 0.0004850600000000, 0.0008725100000000 ] - [ 0.0000030700000000, -0.0004320200000000, 0.0023990100000000 ] - [ 0.0000895100000000, -0.0006125900000000, 0.0019287600000000 ] - [ -0.0000562200000000, -0.0005768200000000, -0.0012690900000000 ] - [ 0.0000298000000000, -0.0000110800000000, -0.0011862100000000 ] - [ -0.0003461100000000, -0.0005019600000000, 0.0005431100000000 ] - [ -0.0002017000000000, 0.0002001600000000, 0.0003529500000000 ] - [ 0.0003189500000000, 0.0004144100000000, 0.0003852700000000 ] - [ 0.0002042900000000, -0.0005016200000000, 0.0004051200000000 ] - [ 0.0002975300000000, 0.0002283500000000, -0.0085818700000000 ] - [ -0.0000181600000000, 0.0000747700000000, -0.0002554100000000 ] - [ -0.0024926700000000, -0.0016549300000000, 0.0017892500000000 ] - [ -0.0000525500000000, 0.0001269100000000, -0.0003075700000000 ] - [ 0.0000446200000000, 0.0001419500000000, 0.0009384100000000 ] - [ 0.0000036600000000, 0.0001061100000000, 0.0003616800000000 ] - [ 0.0000308300000000, -0.0004081800000000, -0.0016642500000000 ] - [ 0.0000584500000000, -0.0007199500000000, -0.0043611800000000 ] - [ 0.0001431200000000, -0.0005520400000000, 0.0005562700000000 ] - [ -0.0002715100000000, 0.0006340800000000, 0.0007838900000000 ] - [ -0.0001110900000000, 0.0004239100000000, 0.0004939400000000 ] - [ 0.0003041200000000, -0.0009386200000000, 0.0009339700000000 ] - [ 0.0032408700000000, 0.0005516800000000, 0.0000757300000000 ] - [ 0.0001245100000000, 0.0000797400000000, -0.0002363900000000 ] - [ -0.0029063400000000, -0.0002199200000000, -0.0001476700000000 ] - [ -0.0000493900000000, 0.0001310700000000, -0.0002947400000000 ] - [ -0.0000452000000000, 0.0001504300000000, 0.0007233700000000 ] - [ -0.0000017400000000, 0.0000995000000000, 0.0003396000000000 ] - [ 0.0000613000000000, -0.0001398200000000, 0.0003238600000000 ] - [ 0.0003481600000000, -0.0002369700000000, -0.0002115500000000 ] - [ 0.0000289000000000, 0.0002854000000000, 0.0014570300000000 ] - [ 0.0001087500000000, 0.0006296800000000, 0.0018374900000000 ] - [ -0.0001030500000000, 0.0004140900000000, 0.0012935200000000 ] - [ -0.0002547200000000, 0.0001737800000000, 0.0013997000000000 ] - [ -0.0006815700000000, 0.0001443800000000, -0.0001667900000000 ] - [ -0.0000960500000000, 0.0001754800000000, 0.0005167500000000 ] - [ 0.0005348900000000, 0.0000129700000000, 0.0011297600000000 ] - [ 0.0001057700000000, -0.0003954100000000, 0.0010488500000000 ] - [ -0.0000824700000000, -0.0006116100000000, 0.0020265600000000 ] - [ -0.0000112700000000, -0.0003501000000000, 0.0014882000000000 ] - [ -0.0005420600000000, 0.0000234600000000, -0.0044350400000000 ] - [ 0.0000499800000000, -0.0001164200000000, -0.0005221900000000 ] - [ 0.0007143200000000, -0.0000813600000000, 0.0007922600000000 ] - [ 0.0000842300000000, -0.0000132400000000, 0.0001606300000000 ] - [ -0.0007734600000000, -0.0001327100000000, 0.0009235700000000 ] - [ -0.0000655200000000, -0.0002161600000000, 0.0001813700000000 ] - [ -0.0000559700000000, 0.0003363600000000, -0.0002557600000000 ] - [ -0.0003758500000000, -0.0000913000000000, -0.0002616300000000 ] - [ -0.0000226300000000, -0.0001168700000000, -0.0002784600000000 ] - [ 0.0002793800000000, 0.0002954900000000, -0.0003042400000000 ] - [ 0.0000000500000000, 0.0001220600000000, 0.0003346200000000 ] - [ 0.0000101300000000, 0.0000998500000000, 0.0003835300000000 ] - [ -0.0000833900000000, -0.0000384200000000, -0.0008225400000000 ] - [ -0.0000484700000000, -0.0001208300000000, -0.0004387700000000 ] - [ 0.0000789800000000, -0.0001408700000000, 0.0003639400000000 ] - [ -0.0000050300000000, -0.0000754500000000, 0.0001207800000000 ] - [ -0.0000421000000000, -0.0001087200000000, 0.0003664300000000 ] - [ -0.0000184800000000, -0.0001463900000000, 0.0001281700000000 ] - [ -0.0006482600000000, 0.0008875800000000, -0.0002086300000000 ] - [ -0.0010663200000000, -0.0007547400000000, 0.0000834700000000 ] - [ 0.0006874900000000, -0.0006479300000000, -0.0002485800000000 ] - [ 0.0010393800000000, 0.0009001600000000, -0.0000527500000000 ] - [ -0.0000035900000000, 0.0001242600000000, 0.0004078600000000 ] - [ -0.0000132300000000, 0.0001024800000000, 0.0004632200000000 ] - [ -0.0016223300000000, -0.0008325700000000, 0.0348345600000000 ] - [ -0.0000459500000000, 0.0000103800000000, 0.0003064800000000 ] - [ -0.0001949400000000, -0.0001250700000000, -0.0016197900000000 ] - [ -0.0000659500000000, 0.0000586400000000, -0.0001535300000000 ] - [ 0.0001056500000000, 0.0001183800000000, -0.0016225700000000 ] - [ -0.0000241100000000, -0.0000604700000000, -0.0001529600000000 ] - [ 0.0000043200000000, -0.0001201600000000, 0.0017994400000000 ] - [ 0.0000432800000000, 0.0000222500000000, 0.0002728100000000 ] - [ 0.0003470900000000, -0.0000806200000000, -0.0006601100000000 ] - [ 0.0000877100000000, 0.0000620000000000, -0.0001298600000000 ] - [ -0.0002542600000000, 0.0001179000000000, -0.0006606100000000 ] - [ 0.0000029200000000, -0.0000638600000000, -0.0001292400000000 ] - [ 0.0002390800000000, 0.0003134300000000, 0.0001903200000000 ] - [ 0.0005030500000000, -0.0005994700000000, 0.0001432500000000 ] - [ 0.0000332200000000, -0.0000050000000000, -0.0003883600000000 ] - [ 0.0000423500000000, -0.0000046900000000, -0.0004203100000000 ] - [ -0.0001613100000000, -0.0003144600000000, 0.0001913800000000 ] - [ -0.0004279000000000, 0.0006503600000000, 0.0001457300000000 ] - [ -0.0001228200000000, 0.0007029700000000, 0.0001523500000000 ] - [ 0.0000791000000000, -0.0049118800000000, -0.0032453100000000 ] - [ -0.0000329700000000, -0.0000044600000000, -0.0004339400000000 ] - [ -0.0000400600000000, -0.0000065900000000, -0.0005958300000000 ] - [ 0.0000353400000000, -0.0007164500000000, 0.0001541000000000 ] - [ -0.0001860500000000, 0.0049429200000000, -0.0032707200000000 ] - [ -0.0000063300000000, -0.0000004900000000, 0.0004256500000000 ] - [ -0.0000591700000000, -0.0000167500000000, 0.0004258000000000 ] - [ 0.0000566700000000, 0.0001294500000000, -0.0002111300000000 ] - [ -0.0000112900000000, -0.0001025800000000, -0.0002057100000000 ] - [ -0.0001467300000000, -0.0001376300000000, -0.0002053000000000 ] - [ -0.0000697800000000, 0.0001090600000000, -0.0002108100000000 ] - [ 0.0000561500000000, -0.0000245400000000, 0.0013033000000000 ] - [ 0.0000542100000000, 0.0000090300000000, 0.0013033500000000 ] - [ -0.0001712300000000, 0.0003006800000000, -0.0003905600000000 ] - [ -0.0001053900000000, -0.0002123800000000, -0.0003815300000000 ] - [ 0.0002474900000000, -0.0002991900000000, -0.0003819700000000 ] - [ 0.0001886900000000, 0.0002132600000000, -0.0003911100000000 ] - [ -0.0038540700000000, 0.0021427100000000, -0.0025730100000000 ] - [ 0.0000229200000000, -0.0002016600000000, 0.0001386800000000 ] - [ 0.0000338900000000, -0.0000027600000000, -0.0006077400000000 ] - [ 0.0000410600000000, 0.0000005900000000, -0.0002587800000000 ] - [ 0.0039444800000000, -0.0021465800000000, -0.0025922400000000 ] - [ 0.0000633800000000, 0.0002274300000000, 0.0001398900000000 ] - [ 0.0002889400000000, 0.0001492800000000, 0.0002209200000000 ] - [ -0.0000564100000000, -0.0000781400000000, 0.0001167000000000 ] - [ -0.0000395700000000, -0.0000062600000000, -0.0004346900000000 ] - [ -0.0000419300000000, 0.0000013400000000, -0.0002246400000000 ] - [ -0.0003736800000000, -0.0001766700000000, 0.0002233100000000 ] - [ -0.0000277100000000, 0.0000976200000000, 0.0001174900000000 ] - [ -0.0005825600000000, 0.0015262600000000, 0.0047561600000000 ] - [ -0.0001139500000000, 0.0009107400000000, 0.0007922300000000 ] - [ 0.0002328600000000, 0.0014688400000000, -0.0030214100000000 ] - [ 0.0005536200000000, -0.0004357900000000, -0.0014354900000000 ] - [ -0.0001142000000000, -0.0010129100000000, -0.0027835500000000 ] - [ -0.0005612400000000, 0.0014469400000000, -0.0018053700000000 ] - [ 0.0115214800000000, 0.0078646400000000, -0.0041436200000000 ] - [ 0.0000831400000000, -0.0008611200000000, -0.0000405400000000 ] - [ 0.0000028200000000, -0.0005049800000000, -0.0029377300000000 ] - [ 0.0000120400000000, -0.0003948400000000, -0.0018708700000000 ] - [ -0.0083196600000000, -0.0068555300000000, -0.0059870400000000 ] - [ -0.0001167300000000, -0.0002645000000000, -0.0007779100000000 ] - [ 0.0003107000000000, 0.0004240000000000, 0.0014281400000000 ] - [ 0.0000125300000000, 0.0006255100000000, -0.0000715500000000 ] - [ -0.0006090300000000, 0.0000185900000000, -0.0016914400000000 ] - [ -0.0000838900000000, 0.0004181900000000, -0.0012001400000000 ] - [ 0.0006021100000000, 0.0010242600000000, -0.0019613900000000 ] - [ 0.0000775800000000, 0.0005299700000000, -0.0014189700000000 ] - [ -0.0004677100000000, 0.0000898100000000, -0.0002377500000000 ] - [ -0.0013014600000000, -0.0006029900000000, -0.0000050300000000 ] - [ 0.0000005500000000, -0.0004849600000000, -0.0015599200000000 ] - [ -0.0000125500000000, -0.0004238900000000, -0.0020520100000000 ] - [ 0.0004849100000000, -0.0011583800000000, -0.0008661600000000 ] - [ 0.0012689300000000, -0.0005179400000000, -0.0010749300000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0339118900000000, -0.0003086300000000, 0.0007431100000000 ] - [ 0.0021107200000000, 0.0001764900000000, 0.0010172300000000 ] - [ 0.0002450300000000, 0.0001887000000000, 0.0010225700000000 ] - [ 0.0002705000000000, 0.0001861500000000, 0.0010206500000000 ] - [ -0.0002005300000000, 0.0001964100000000, 0.0009960400000000 ] - [ 0.0013630500000000, 0.0001855900000000, 0.0010165400000000 ] - [ 0.0361630300000000, -0.0003863900000000, 0.0015301000000000 ] - [ 0.0012331700000000, -0.0001875700000000, 0.0010158500000000 ] - [ 0.0038184200000000, -0.0001891600000000, 0.0010370000000000 ] - [ 0.0012074300000000, -0.0001908000000000, 0.0010208700000000 ] - [ 0.0004099800000000, -0.0001875300000000, 0.0010179100000000 ] - [ 0.0000984100000000, -0.0001872600000000, 0.0010186800000000 ] - [ 0.2205937300000000, 0.0992138700000000, -0.0339487300000000 ] - [ 0.0006175300000000, 0.0001265300000000, -0.0000556700000000 ] - [ 0.0009743500000000, 0.0002975400000000, 0.0007106600000000 ] - [ 0.0001588000000000, -0.0001068300000000, -0.0000482400000000 ] - [ 0.0010248200000000, 0.0002602200000000, -0.0009559300000000 ] - [ 0.0002229000000000, 0.0000090500000000, -0.0001863400000000 ] - [ 0.0024114600000000, 0.0001982500000000, 0.0017187500000000 ] - [ 0.0028185600000000, 0.0036681900000000, 0.0026818200000000 ] - [ 0.0023390300000000, 0.0002239800000000, 0.0012060000000000 ] - [ 0.0026909000000000, 0.0035290300000000, -0.0025203400000000 ] - [ 0.0001076300000000, 0.0001197600000000, -0.0000234300000000 ] - [ 0.0001628600000000, 0.0002229300000000, -0.0000491200000000 ] - [ 0.2314226500000000, -0.1070709200000000, 0.0363975400000000 ] - [ 0.0005831600000000, -0.0003540800000000, -0.0000742200000000 ] - [ 0.0009395500000000, -0.0005214300000000, -0.0008327100000000 ] - [ 0.0001209200000000, -0.0001183200000000, -0.0000768800000000 ] - [ 0.0009925000000000, -0.0004856100000000, 0.0008269700000000 ] - [ 0.0001846500000000, -0.0002342500000000, 0.0000598500000000 ] - [ 0.0024181900000000, 0.0000363400000000, -0.0018424900000000 ] - [ 0.0028472700000000, -0.0034441100000000, -0.0028165100000000 ] - [ 0.0023477800000000, 0.0000068800000000, -0.0013200000000000 ] - [ 0.0027214300000000, -0.0033142300000000, 0.0024062100000000 ] - [ 0.0001451500000000, 0.0001038500000000, -0.0001027600000000 ] - [ 0.0002011800000000, 0.0000007300000000, -0.0000762200000000 ] - [ -0.0036837600000000, 0.0001945400000000, 0.0010162400000000 ] - [ -0.0011485000000000, 0.0001767600000000, 0.0010134200000000 ] - [ -0.0003548200000000, 0.0001876600000000, 0.0010180600000000 ] - [ -0.0001383400000000, 0.0001855300000000, 0.0010175900000000 ] - [ -0.0014124900000000, 0.0001933300000000, 0.0010249800000000 ] - [ -0.0002392100000000, 0.0001849100000000, 0.0010190900000000 ] - [ -0.0011766100000000, -0.0001934900000000, 0.0010237900000000 ] - [ -0.0021251900000000, -0.0001778200000000, 0.0010128500000000 ] - [ -0.0004225500000000, -0.0001880100000000, 0.0010151000000000 ] - [ -0.0014088800000000, -0.0001818000000000, 0.0010157100000000 ] - [ -0.0001801100000000, -0.0001879700000000, 0.0010195200000000 ] - [ -0.0001615900000000, -0.0001862800000000, 0.0010198500000000 ] - [ -0.0042628700000000, -0.0028967600000000, -0.0000767200000000 ] - [ -0.0033127800000000, 0.0009829700000000, 0.0000223200000000 ] - [ -0.0002699500000000, -0.0003693300000000, -0.0002550100000000 ] - [ -0.0004461700000000, -0.0001013100000000, -0.0002229600000000 ] - [ -0.0004065800000000, -0.0003740400000000, 0.0002423100000000 ] - [ -0.0004625400000000, -0.0001196900000000, 0.0001826400000000 ] - [ -0.0061802500000000, -0.0002775100000000, -0.0030484800000000 ] - [ -0.0004673200000000, -0.0001070400000000, -0.0001913200000000 ] - [ -0.0057537800000000, -0.0003762900000000, 0.0023361700000000 ] - [ -0.0004083700000000, -0.0001085500000000, 0.0000111100000000 ] - [ -0.0002699700000000, 0.0000555400000000, -0.0000856600000000 ] - [ -0.0001010300000000, 0.0000712500000000, -0.0000759000000000 ] - [ -0.0042884400000000, 0.0026490900000000, -0.0000521600000000 ] - [ -0.0033643800000000, -0.0012054000000000, -0.0001537200000000 ] - [ -0.0003144200000000, 0.0001462600000000, 0.0001264400000000 ] - [ -0.0004914000000000, -0.0001200800000000, 0.0000963200000000 ] - [ -0.0004507000000000, 0.0001484900000000, -0.0003657500000000 ] - [ -0.0005080700000000, -0.0000995500000000, -0.0003085600000000 ] - [ -0.0061574200000000, 0.0005148300000000, 0.0029398900000000 ] - [ -0.0004216900000000, 0.0003252900000000, 0.0000642200000000 ] - [ -0.0057190700000000, 0.0006110000000000, -0.0024741500000000 ] - [ -0.0003619200000000, 0.0003264300000000, -0.0001411800000000 ] - [ -0.0002260500000000, 0.0001675000000000, -0.0000395400000000 ] - [ -0.0000571000000000, 0.0001501300000000, -0.0000504600000000 ] - [ -0.0000561600000000, 0.0048140500000000, 0.0005925600000000 ] - [ -0.0001120300000000, -0.0068996100000000, 0.0001284600000000 ] - [ -0.0001083500000000, 0.0000720400000000, 0.0001153000000000 ] - [ -0.0001595400000000, -0.0001807900000000, 0.0005607800000000 ] - [ -0.0001212600000000, 0.0000641800000000, -0.0002317900000000 ] - [ -0.0001503300000000, -0.0001750100000000, -0.0005533800000000 ] - [ 0.0000439000000000, -0.0047793000000000, -0.0005836700000000 ] - [ -0.0000237900000000, 0.0068590000000000, -0.0001147100000000 ] - [ -0.0000204200000000, -0.0000772900000000, -0.0001088100000000 ] - [ -0.0000710700000000, 0.0001758800000000, -0.0005568300000000 ] - [ -0.0000325300000000, -0.0000698800000000, 0.0002369700000000 ] - [ -0.0000618000000000, 0.0001698600000000, 0.0005601200000000 ] - [ 0.0005044300000000, 0.0019351400000000, -0.0082906500000000 ] - [ -0.0000601500000000, 0.0000086300000000, -0.0001119500000000 ] - [ -0.0000010000000000, 0.0000131000000000, 0.0000071900000000 ] - [ 0.0000221000000000, -0.0000040100000000, 0.0000161800000000 ] - [ 0.0019249500000000, 0.0031184300000000, 0.0115300500000000 ] - [ -0.0000596300000000, -0.0001457800000000, 0.0000875100000000 ] - [ 0.0004029500000000, -0.0019551900000000, 0.0083317300000000 ] - [ -0.0001494600000000, -0.0000020200000000, 0.0001181900000000 ] - [ -0.0000887200000000, -0.0000079300000000, -0.0000016600000000 ] - [ -0.0000651600000000, 0.0000091900000000, -0.0000104500000000 ] - [ 0.0018254500000000, -0.0031650900000000, -0.0116071900000000 ] - [ -0.0001476300000000, 0.0001534500000000, -0.0000803700000000 ] - [ 0.0105956600000000, -0.0010852300000000, -0.0003153500000000 ] - [ 0.0001679600000000, 0.0002657400000000, -0.0000105000000000 ] - [ 0.0002127700000000, -0.0001172400000000, -0.0005975300000000 ] - [ 0.0000208100000000, 0.0000687800000000, -0.0000750900000000 ] - [ 0.0001851900000000, -0.0000800000000000, 0.0006103300000000 ] - [ 0.0000278100000000, 0.0000489300000000, 0.0000856100000000 ] - [ 0.0107810800000000, 0.0010589600000000, 0.0003368000000000 ] - [ 0.0002503900000000, -0.0002669200000000, 0.0000177600000000 ] - [ 0.0002959000000000, 0.0001121200000000, 0.0006063400000000 ] - [ 0.0001050600000000, -0.0000729500000000, 0.0000814900000000 ] - [ 0.0002676100000000, 0.0000755200000000, -0.0006095700000000 ] - [ 0.0001123000000000, -0.0000534400000000, -0.0000795700000000 ] - [ 0.0011068500000000, 0.0013324700000000, 0.0012759900000000 ] - [ 0.0007359200000000, -0.0006311500000000, 0.0004876800000000 ] - [ 0.0000804700000000, 0.0000395400000000, -0.0000087300000000 ] - [ 0.0000850300000000, -0.0000218500000000, 0.0000044600000000 ] - [ 0.0012515700000000, 0.0012661500000000, -0.0013066900000000 ] - [ 0.0007380500000000, -0.0006023700000000, -0.0004627000000000 ] - [ 0.0010218000000000, -0.0013217700000000, -0.0012583700000000 ] - [ 0.0006548900000000, 0.0006382900000000, -0.0004828600000000 ] - [ -0.0000038800000000, -0.0000342900000000, 0.0000143400000000 ] - [ 0.0000002600000000, 0.0000270100000000, 0.0000010300000000 ] - [ 0.0011635900000000, -0.0012509200000000, 0.0013007700000000 ] - [ 0.0006555100000000, 0.0006069700000000, 0.0004709400000000 ] - [ -0.5422360200000000, 0.0089410000000000, -0.0037222200000000 ] - [ -0.0010845900000000, 0.0005271300000000, -0.0008931000000000 ] - [ -0.0017683400000000, 0.0005227500000000, -0.0009060100000000 ] - [ -0.0003189100000000, 0.0005232700000000, -0.0009008400000000 ] - [ -0.0017683500000000, 0.0005268900000000, -0.0008889200000000 ] - [ -0.0003189600000000, 0.0005227200000000, -0.0008974500000000 ] - [ -0.0028208700000000, -0.0005403500000000, -0.0009014900000000 ] - [ -0.0069448400000000, -0.0005094800000000, -0.0009042500000000 ] - [ -0.0002377800000000, -0.0005225400000000, -0.0008980400000000 ] - [ -0.0003647600000000, -0.0005213900000000, -0.0008990900000000 ] - [ -0.0028209000000000, -0.0005328000000000, -0.0008773300000000 ] - [ -0.0069449600000000, -0.0005174500000000, -0.0008921900000000 ] - [ 0.0054861400000000, 0.0005360200000000, -0.0009024300000000 ] - [ 0.0054859900000000, 0.0005111700000000, -0.0008934900000000 ] - [ 0.0006415200000000, 0.0005206800000000, -0.0008948400000000 ] - [ 0.0007980200000000, 0.0005179100000000, -0.0008953200000000 ] - [ 0.0007977500000000, 0.0005220100000000, -0.0008997300000000 ] - [ 0.0006414500000000, 0.0005150400000000, -0.0009009400000000 ] - [ 0.0077545300000000, -0.0005312300000000, -0.0008964700000000 ] - [ 0.0007178300000000, -0.0005157800000000, -0.0008906500000000 ] - [ 0.0004156500000000, -0.0005202900000000, -0.0008980100000000 ] - [ 0.0001468100000000, -0.0005192900000000, -0.0008974800000000 ] - [ 0.0077546900000000, -0.0005393300000000, -0.0009004300000000 ] - [ 0.0007177800000000, -0.0005140500000000, -0.0009002800000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.1518407400000000, 0.0558901700000000 ] - [ 0.0000000000000000, -0.0049873800000000, 0.0004397600000000 ] - [ 0.0000000000000000, 0.0009647900000000, -0.0007033100000000 ] - [ 0.0000000000000000, -0.0007959500000000, 0.0014060500000000 ] - [ 0.0000000000000000, 0.0015736900000000, 0.0052858600000000 ] - [ 0.0000000000000000, -0.0022186700000000, -0.0014533000000000 ] - [ 0.0000000000000000, 0.0475073700000000, -0.0346084700000000 ] - [ 0.0000000000000000, -0.0038770600000000, 0.0023663400000000 ] - [ 0.0000000000000000, 0.0119240400000000, -0.0106968000000000 ] - [ 0.0000000000000000, -0.0037317600000000, 0.0026151200000000 ] - [ 0.0000000000000000, 0.0007295500000000, 0.0009187900000000 ] - [ 0.0000000000000000, -0.0008547100000000, 0.0009052700000000 ] - [ 0.1000749300000000, 0.1018011100000000, -0.0195024400000000 ] - [ -0.0003337400000000, -0.0043077800000000, 0.0003669500000000 ] - [ 0.0014349900000000, 0.0019050200000000, -0.0004705800000000 ] - [ -0.0002161100000000, -0.0016722400000000, -0.0003397700000000 ] - [ 0.0011657400000000, 0.0017757800000000, -0.0000379800000000 ] - [ -0.0001883800000000, -0.0015177300000000, 0.0001088400000000 ] - [ -0.0025391400000000, -0.0021399900000000, 0.0046974500000000 ] - [ 0.0000826800000000, -0.0035308000000000, -0.0031341000000000 ] - [ -0.0074174200000000, -0.0060353500000000, -0.0107362800000000 ] - [ 0.0000648800000000, -0.0029573900000000, 0.0024164500000000 ] - [ -0.0002822800000000, -0.0000607200000000, -0.0002431200000000 ] - [ -0.0001436800000000, 0.0001736300000000, -0.0001528400000000 ] - [ -0.1000749300000000, 0.1018011100000000, -0.0195024400000000 ] - [ 0.0003337400000000, -0.0043077800000000, 0.0003669500000000 ] - [ -0.0014349900000000, 0.0019050200000000, -0.0004705800000000 ] - [ 0.0002161100000000, -0.0016722400000000, -0.0003397700000000 ] - [ -0.0011657400000000, 0.0017757800000000, -0.0000379800000000 ] - [ 0.0001883800000000, -0.0015177300000000, 0.0001088400000000 ] - [ 0.0025391400000000, -0.0021399900000000, 0.0046974500000000 ] - [ -0.0000826800000000, -0.0035308000000000, -0.0031341000000000 ] - [ 0.0074174200000000, -0.0060353500000000, -0.0107362800000000 ] - [ -0.0000648800000000, -0.0029573900000000, 0.0024164500000000 ] - [ 0.0002822800000000, -0.0000607200000000, -0.0002431200000000 ] - [ 0.0001436800000000, 0.0001736300000000, -0.0001528400000000 ] - [ 0.0000000000000000, -0.0002209900000000, 0.0019301900000000 ] - [ 0.0000000000000000, -0.0004271800000000, 0.0009842400000000 ] - [ 0.0000000000000000, 0.0006226200000000, 0.0019440800000000 ] - [ 0.0000000000000000, -0.0003355700000000, 0.0006847000000000 ] - [ 0.0000000000000000, -0.0004864900000000, -0.0005682400000000 ] - [ 0.0000000000000000, -0.0002700600000000, 0.0008534500000000 ] - [ 0.0000000000000000, -0.0008706400000000, 0.0014331400000000 ] - [ 0.0000000000000000, -0.0001031300000000, 0.0000409000000000 ] - [ 0.0000000000000000, -0.0006928300000000, 0.0010387400000000 ] - [ 0.0000000000000000, -0.0010652700000000, 0.0025846400000000 ] - [ 0.0000000000000000, -0.0005011200000000, 0.0010268700000000 ] - [ 0.0000000000000000, 0.0001845400000000, 0.0005482800000000 ] - [ -0.0016064200000000, 0.0013809000000000, 0.0002288500000000 ] - [ 0.0007529600000000, -0.0017826800000000, -0.0000576700000000 ] - [ -0.0006682400000000, 0.0002532800000000, -0.0003921900000000 ] - [ -0.0000647600000000, -0.0005470100000000, 0.0005598300000000 ] - [ -0.0005202400000000, 0.0002053200000000, 0.0000549100000000 ] - [ 0.0000683700000000, -0.0005144500000000, -0.0006726500000000 ] - [ -0.0010338500000000, 0.0014469100000000, -0.0022492200000000 ] - [ 0.0000208600000000, -0.0010505700000000, -0.0001398500000000 ] - [ -0.0009692900000000, 0.0015012800000000, 0.0021776200000000 ] - [ 0.0001396100000000, -0.0011300300000000, 0.0000479000000000 ] - [ 0.0003319700000000, 0.0006686400000000, -0.0000543300000000 ] - [ -0.0000313000000000, -0.0003520900000000, -0.0001811900000000 ] - [ 0.0016064200000000, 0.0013809000000000, 0.0002288500000000 ] - [ -0.0007529600000000, -0.0017826800000000, -0.0000576700000000 ] - [ 0.0006682400000000, 0.0002532800000000, -0.0003921900000000 ] - [ 0.0000647600000000, -0.0005470100000000, 0.0005598300000000 ] - [ 0.0005202400000000, 0.0002053200000000, 0.0000549100000000 ] - [ -0.0000683700000000, -0.0005144500000000, -0.0006726500000000 ] - [ 0.0010338500000000, 0.0014469100000000, -0.0022492200000000 ] - [ -0.0000208600000000, -0.0010505700000000, -0.0001398500000000 ] - [ 0.0009692900000000, 0.0015012800000000, 0.0021776200000000 ] - [ -0.0001396100000000, -0.0011300300000000, 0.0000479000000000 ] - [ -0.0003319700000000, 0.0006686400000000, -0.0000543300000000 ] - [ 0.0000313000000000, -0.0003520900000000, -0.0001811900000000 ] - [ 0.0069157100000000, 0.0062023900000000, -0.0009884100000000 ] - [ -0.0038897900000000, 0.0075277300000000, -0.0003934600000000 ] - [ 0.0005437900000000, 0.0002654500000000, 0.0015394800000000 ] - [ 0.0000030300000000, -0.0001299600000000, -0.0009193200000000 ] - [ 0.0004914700000000, 0.0003704200000000, -0.0009462900000000 ] - [ -0.0000272500000000, -0.0002488600000000, 0.0009592400000000 ] - [ -0.0069157100000000, 0.0062023900000000, -0.0009884100000000 ] - [ 0.0038897900000000, 0.0075277300000000, -0.0003934600000000 ] - [ -0.0005437900000000, 0.0002654500000000, 0.0015394800000000 ] - [ -0.0000030300000000, -0.0001299600000000, -0.0009193200000000 ] - [ -0.0004914700000000, 0.0003704200000000, -0.0009462900000000 ] - [ 0.0000272500000000, -0.0002488600000000, 0.0009592400000000 ] - [ 0.0014878300000000, -0.0019994900000000, -0.0063198000000000 ] - [ -0.0004906900000000, 0.0024823800000000, 0.0002620100000000 ] - [ -0.0001923100000000, -0.0003368800000000, 0.0000210400000000 ] - [ -0.0000255300000000, 0.0003583800000000, 0.0001289500000000 ] - [ 0.0025779700000000, -0.0023552500000000, 0.0084137200000000 ] - [ -0.0002999300000000, 0.0018391000000000, -0.0003384700000000 ] - [ -0.0014878300000000, -0.0019994900000000, -0.0063198000000000 ] - [ 0.0004906900000000, 0.0024823800000000, 0.0002620100000000 ] - [ 0.0001923100000000, -0.0003368800000000, 0.0000210400000000 ] - [ 0.0000255300000000, 0.0003583800000000, 0.0001289500000000 ] - [ -0.0025779700000000, -0.0023552500000000, 0.0084137200000000 ] - [ 0.0002999300000000, 0.0018391000000000, -0.0003384700000000 ] - [ 0.0017754500000000, -0.0036439800000000, 0.0000941700000000 ] - [ -0.0003281200000000, 0.0013333400000000, -0.0001016100000000 ] - [ -0.0005366200000000, -0.0007149000000000, -0.0005009100000000 ] - [ -0.0001499700000000, 0.0005927700000000, -0.0000054100000000 ] - [ -0.0005393400000000, -0.0006010400000000, 0.0005082500000000 ] - [ -0.0000742900000000, 0.0005066100000000, 0.0001051400000000 ] - [ -0.0017754500000000, -0.0036439800000000, 0.0000941700000000 ] - [ 0.0003281200000000, 0.0013333400000000, -0.0001016100000000 ] - [ 0.0005366200000000, -0.0007149000000000, -0.0005009100000000 ] - [ 0.0001499700000000, 0.0005927700000000, -0.0000054100000000 ] - [ 0.0005393400000000, -0.0006010400000000, 0.0005082500000000 ] - [ 0.0000742900000000, 0.0005066100000000, 0.0001051400000000 ] - [ 0.0020509100000000, -0.0017244400000000, 0.0000053400000000 ] - [ -0.0003975200000000, 0.0010776100000000, -0.0006336100000000 ] - [ 0.0002529600000000, -0.0002025800000000, 0.0000999400000000 ] - [ 0.0001559800000000, 0.0002080700000000, 0.0000394900000000 ] - [ 0.0015338100000000, -0.0013111700000000, -0.0000766600000000 ] - [ -0.0004568800000000, 0.0010122500000000, 0.0006136400000000 ] - [ -0.0020509100000000, -0.0017244400000000, 0.0000053400000000 ] - [ 0.0003975200000000, 0.0010776100000000, -0.0006336100000000 ] - [ -0.0002529600000000, -0.0002025800000000, 0.0000999400000000 ] - [ -0.0001559800000000, 0.0002080700000000, 0.0000394900000000 ] - [ -0.0015338100000000, -0.0013111700000000, -0.0000766600000000 ] - [ 0.0004568800000000, 0.0010122500000000, 0.0006136400000000 ] - [ 0.0000000000000000, -0.4258864400000000, 0.0102174100000000 ] - [ 0.0000000000000000, 0.0079617300000000, -0.0012661300000000 ] - [ 0.0000000000000000, -0.0034306800000000, 0.0034189800000000 ] - [ 0.0000000000000000, 0.0032474000000000, -0.0021878800000000 ] - [ 0.0000000000000000, -0.0034242800000000, -0.0036753500000000 ] - [ 0.0000000000000000, 0.0032446700000000, -0.0000976900000000 ] - [ 0.0000000000000000, 0.0095679400000000, 0.0473586400000000 ] - [ 0.0000000000000000, 0.0056525200000000, -0.0027060100000000 ] - [ 0.0000000000000000, -0.0005532300000000, -0.0000046800000000 ] - [ 0.0000000000000000, -0.0001547900000000, -0.0009081600000000 ] - [ 0.0000000000000000, 0.0094166800000000, -0.0230927500000000 ] - [ 0.0000000000000000, 0.0056450900000000, 0.0015200800000000 ] - [ 0.0000000000000000, 0.0015061000000000, -0.0012901500000000 ] - [ 0.0000000000000000, 0.0015263000000000, -0.0001221300000000 ] - [ 0.0000000000000000, 0.0010135100000000, -0.0007371500000000 ] - [ 0.0000000000000000, 0.0009415400000000, -0.0026788600000000 ] - [ 0.0000000000000000, 0.0009339300000000, -0.0008670000000000 ] - [ 0.0000000000000000, 0.0010221300000000, 0.0002182500000000 ] - [ 0.0000000000000000, -0.0000291200000000, -0.0030105200000000 ] - [ 0.0000000000000000, 0.0006870100000000, -0.0009528700000000 ] - [ 0.0000000000000000, -0.0016290000000000, -0.0012899900000000 ] - [ 0.0000000000000000, 0.0001312900000000, -0.0005891600000000 ] - [ 0.0000000000000000, -0.0000274800000000, 0.0010528100000000 ] - [ 0.0000000000000000, 0.0006866500000000, -0.0008981600000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1428889000000000, -0.0485209700000000 ] - [ 0.0000000000000000, 0.0053773500000000, 0.0015907500000000 ] - [ 0.0000000000000000, -0.0005935300000000, 0.0027429400000000 ] - [ 0.0000000000000000, 0.0011654600000000, 0.0006281900000000 ] - [ 0.0000000000000000, -0.0011660800000000, -0.0033029800000000 ] - [ 0.0000000000000000, 0.0026001400000000, 0.0035101100000000 ] - [ 0.0000000000000000, -0.0481889900000000, 0.0365203100000000 ] - [ 0.0000000000000000, 0.0035150000000000, -0.0003270000000000 ] - [ 0.0000000000000000, -0.0122679000000000, 0.0126926600000000 ] - [ 0.0000000000000000, 0.0033699000000000, -0.0005889100000000 ] - [ 0.0000000000000000, -0.0011000300000000, 0.0011117600000000 ] - [ 0.0000000000000000, 0.0004828600000000, 0.0011367200000000 ] - [ -0.1034702500000000, -0.1026952800000000, 0.0200865600000000 ] - [ 0.0003811200000000, 0.0040893700000000, -0.0004961200000000 ] - [ -0.0013905300000000, -0.0021269300000000, 0.0003423000000000 ] - [ 0.0002602200000000, 0.0014555500000000, 0.0002084600000000 ] - [ -0.0011270600000000, -0.0020051900000000, -0.0000999500000000 ] - [ 0.0002325300000000, 0.0013020500000000, -0.0002335900000000 ] - [ 0.0025044700000000, 0.0023979900000000, -0.0047941400000000 ] - [ -0.0001365700000000, 0.0037679600000000, 0.0030311600000000 ] - [ 0.0073951100000000, 0.0062559600000000, 0.0106140300000000 ] - [ -0.0001151400000000, 0.0031810000000000, -0.0025615300000000 ] - [ 0.0002409100000000, 0.0002832900000000, 0.0001129200000000 ] - [ 0.0000995900000000, 0.0000424000000000, 0.0000241700000000 ] - [ 0.1034702500000000, -0.1026952800000000, 0.0200865600000000 ] - [ -0.0003811200000000, 0.0040893700000000, -0.0004961200000000 ] - [ 0.0013905300000000, -0.0021269300000000, 0.0003423000000000 ] - [ -0.0002602200000000, 0.0014555500000000, 0.0002084600000000 ] - [ 0.0011270600000000, -0.0020051900000000, -0.0000999500000000 ] - [ -0.0002325300000000, 0.0013020500000000, -0.0002335900000000 ] - [ -0.0025044700000000, 0.0023979900000000, -0.0047941400000000 ] - [ 0.0001365700000000, 0.0037679600000000, 0.0030311600000000 ] - [ -0.0073951100000000, 0.0062559600000000, 0.0106140300000000 ] - [ 0.0001151400000000, 0.0031810000000000, -0.0025615300000000 ] - [ -0.0002409100000000, 0.0002832900000000, 0.0001129200000000 ] - [ -0.0000995900000000, 0.0000424000000000, 0.0000241700000000 ] - [ 0.0000000000000000, 0.0005743000000000, 0.0001071800000000 ] - [ 0.0000000000000000, 0.0008039200000000, 0.0010567900000000 ] - [ 0.0000000000000000, -0.0002559000000000, 0.0000975000000000 ] - [ 0.0000000000000000, 0.0007089500000000, 0.0013553200000000 ] - [ 0.0000000000000000, 0.0008478100000000, 0.0025973400000000 ] - [ 0.0000000000000000, 0.0006448200000000, 0.0011876300000000 ] - [ 0.0000000000000000, 0.0005064500000000, 0.0006003300000000 ] - [ 0.0000000000000000, -0.0002806000000000, 0.0019994800000000 ] - [ 0.0000000000000000, 0.0003273900000000, 0.0009990100000000 ] - [ 0.0000000000000000, 0.0006833400000000, -0.0005401400000000 ] - [ 0.0000000000000000, 0.0001322100000000, 0.0010111900000000 ] - [ 0.0000000000000000, -0.0005599200000000, 0.0014913100000000 ] - [ 0.0016505300000000, -0.0015870600000000, -0.0003581700000000 ] - [ -0.0007177200000000, 0.0015556300000000, -0.0000725600000000 ] - [ 0.0007128000000000, -0.0004700400000000, 0.0002650800000000 ] - [ 0.0001059000000000, 0.0003253400000000, -0.0006883900000000 ] - [ 0.0005655500000000, -0.0004207900000000, -0.0001842700000000 ] - [ -0.0000262100000000, 0.0002922300000000, 0.0005458400000000 ] - [ 0.0009795600000000, -0.0012341300000000, 0.0021099700000000 ] - [ -0.0000613400000000, 0.0012732900000000, 0.0000120500000000 ] - [ 0.0009182100000000, -0.0012853400000000, -0.0022938400000000 ] - [ -0.0001794100000000, 0.0013523900000000, -0.0001775200000000 ] - [ -0.0003769000000000, -0.0004505800000000, -0.0000746600000000 ] - [ -0.0000121000000000, 0.0005722900000000, 0.0000532000000000 ] - [ -0.0016505300000000, -0.0015870600000000, -0.0003581700000000 ] - [ 0.0007177200000000, 0.0015556300000000, -0.0000725600000000 ] - [ -0.0007128000000000, -0.0004700400000000, 0.0002650800000000 ] - [ -0.0001059000000000, 0.0003253400000000, -0.0006883900000000 ] - [ -0.0005655500000000, -0.0004207900000000, -0.0001842700000000 ] - [ 0.0000262100000000, 0.0002922300000000, 0.0005458400000000 ] - [ -0.0009795600000000, -0.0012341300000000, 0.0021099700000000 ] - [ 0.0000613400000000, 0.0012732900000000, 0.0000120500000000 ] - [ -0.0009182100000000, -0.0012853400000000, -0.0022938400000000 ] - [ 0.0001794100000000, 0.0013523900000000, -0.0001775200000000 ] - [ 0.0003769000000000, -0.0004505800000000, -0.0000746600000000 ] - [ 0.0000121000000000, 0.0005722900000000, 0.0000532000000000 ] - [ -0.0069473800000000, -0.0061641700000000, 0.0010033700000000 ] - [ 0.0038713800000000, -0.0075856700000000, 0.0004089600000000 ] - [ -0.0006279400000000, -0.0002727800000000, -0.0015301300000000 ] - [ -0.0000863200000000, 0.0001276700000000, 0.0009294700000000 ] - [ -0.0005785700000000, -0.0003808300000000, 0.0009504900000000 ] - [ -0.0000559600000000, 0.0002495400000000, -0.0009580300000000 ] - [ 0.0069473800000000, -0.0061641700000000, 0.0010033700000000 ] - [ -0.0038713800000000, -0.0075856700000000, 0.0004089600000000 ] - [ 0.0006279400000000, -0.0002727800000000, -0.0015301300000000 ] - [ 0.0000863200000000, 0.0001276700000000, 0.0009294700000000 ] - [ 0.0005785700000000, -0.0003808300000000, 0.0009504900000000 ] - [ 0.0000559600000000, 0.0002495400000000, -0.0009580300000000 ] - [ -0.0014131400000000, 0.0020339700000000, 0.0063358000000000 ] - [ 0.0005735200000000, -0.0024788000000000, -0.0002520800000000 ] - [ 0.0002780500000000, 0.0003441500000000, -0.0000126300000000 ] - [ 0.0001102900000000, -0.0003546900000000, -0.0001226100000000 ] - [ -0.0025116100000000, 0.0024130000000000, -0.0084261900000000 ] - [ 0.0003821000000000, -0.0018346500000000, 0.0003423500000000 ] - [ 0.0014131400000000, 0.0020339700000000, 0.0063358000000000 ] - [ -0.0005735200000000, -0.0024788000000000, -0.0002520800000000 ] - [ -0.0002780500000000, 0.0003441500000000, -0.0000126300000000 ] - [ -0.0001102900000000, -0.0003546900000000, -0.0001226100000000 ] - [ 0.0025116100000000, 0.0024130000000000, -0.0084261900000000 ] - [ -0.0003821000000000, -0.0018346500000000, 0.0003423500000000 ] - [ -0.0018698100000000, 0.0036450300000000, -0.0000884200000000 ] - [ 0.0002380300000000, -0.0013394100000000, 0.0001092000000000 ] - [ 0.0004505000000000, 0.0007099400000000, 0.0005043700000000 ] - [ 0.0000633000000000, -0.0005983400000000, 0.0000132000000000 ] - [ 0.0004556600000000, 0.0005957300000000, -0.0004980300000000 ] - [ -0.0000127600000000, -0.0005122200000000, -0.0000997200000000 ] - [ 0.0018698100000000, 0.0036450300000000, -0.0000884200000000 ] - [ -0.0002380300000000, -0.0013394100000000, 0.0001092000000000 ] - [ -0.0004505000000000, 0.0007099400000000, 0.0005043700000000 ] - [ -0.0000633000000000, -0.0005983400000000, 0.0000132000000000 ] - [ -0.0004556600000000, 0.0005957300000000, -0.0004980300000000 ] - [ 0.0000127600000000, -0.0005122200000000, -0.0000997200000000 ] - [ -0.0019663800000000, 0.0017210100000000, -0.0000019400000000 ] - [ 0.0004884000000000, -0.0010697500000000, 0.0006412300000000 ] - [ -0.0001679900000000, 0.0002069800000000, -0.0000931900000000 ] - [ -0.0000699100000000, -0.0002018100000000, -0.0000331300000000 ] - [ -0.0014504500000000, 0.0013059100000000, 0.0000867400000000 ] - [ 0.0005499800000000, -0.0010052700000000, -0.0006076500000000 ] - [ 0.0019663800000000, 0.0017210100000000, -0.0000019400000000 ] - [ -0.0004884000000000, -0.0010697500000000, 0.0006412300000000 ] - [ 0.0001679900000000, 0.0002069800000000, -0.0000931900000000 ] - [ 0.0000699100000000, -0.0002018100000000, -0.0000331300000000 ] - [ 0.0014504500000000, 0.0013059100000000, 0.0000867400000000 ] - [ -0.0005499800000000, -0.0010052700000000, -0.0006076500000000 ] - [ 0.0000000000000000, 0.4196650900000000, -0.0186970900000000 ] - [ 0.0000000000000000, -0.0069358000000000, -0.0005342400000000 ] - [ 0.0000000000000000, 0.0044753300000000, -0.0052089200000000 ] - [ 0.0000000000000000, -0.0022100100000000, 0.0004040300000000 ] - [ 0.0000000000000000, 0.0044817800000000, 0.0019128400000000 ] - [ 0.0000000000000000, -0.0022125000000000, -0.0017072000000000 ] - [ 0.0000000000000000, -0.0104423200000000, -0.0489822400000000 ] - [ 0.0000000000000000, -0.0067075600000000, 0.0009353000000000 ] - [ 0.0000000000000000, -0.0004951000000000, -0.0017832300000000 ] - [ 0.0000000000000000, -0.0008823800000000, -0.0008851600000000 ] - [ 0.0000000000000000, -0.0105932700000000, 0.0211570100000000 ] - [ 0.0000000000000000, -0.0067149800000000, -0.0033365100000000 ] - [ 0.0000000000000000, -0.0004723800000000, -0.0005027400000000 ] - [ 0.0000000000000000, -0.0004535600000000, -0.0016721400000000 ] - [ 0.0000000000000000, 0.0000234100000000, -0.0010582500000000 ] - [ 0.0000000000000000, 0.0001091600000000, 0.0008778900000000 ] - [ 0.0000000000000000, 0.0001026800000000, -0.0009280500000000 ] - [ 0.0000000000000000, 0.0000313900000000, -0.0020114200000000 ] - [ 0.0000000000000000, -0.0009985600000000, 0.0012108300000000 ] - [ 0.0000000000000000, -0.0017376600000000, -0.0008423300000000 ] - [ 0.0000000000000000, 0.0005893600000000, -0.0005057200000000 ] - [ 0.0000000000000000, -0.0011768500000000, -0.0012061700000000 ] - [ 0.0000000000000000, -0.0009971700000000, -0.0028405400000000 ] - [ 0.0000000000000000, -0.0017380200000000, -0.0008973500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0557339700000000, 0.0644950500000000 ] - [ 0.0000000000000000, 0.0016668600000000, 0.0028987900000000 ] - [ 0.0000000000000000, -0.0019621900000000, -0.0057797900000000 ] - [ 0.0000000000000000, -0.0004605700000000, -0.0008414400000000 ] - [ 0.0000000000000000, 0.0020883400000000, -0.0124762800000000 ] - [ 0.0000000000000000, 0.0001806400000000, 0.0009887000000000 ] - [ 0.0000000000000000, -0.0267615200000000, 0.1424514700000000 ] - [ 0.0000000000000000, -0.0008193400000000, 0.0033427500000000 ] - [ 0.0000000000000000, 0.0005432300000000, -0.0129944600000000 ] - [ 0.0000000000000000, 0.0002617800000000, 0.0004641300000000 ] - [ 0.0000000000000000, 0.0013030600000000, -0.0051063000000000 ] - [ 0.0000000000000000, 0.0005726200000000, -0.0007962400000000 ] - [ -0.0342914300000000, -0.0203935300000000, 0.0496224800000000 ] - [ 0.0001388000000000, -0.0005671700000000, 0.0022086100000000 ] - [ 0.0015527400000000, 0.0013417100000000, -0.0036520700000000 ] - [ 0.0001406500000000, -0.0006549400000000, -0.0012552900000000 ] - [ -0.0019472400000000, -0.0023565600000000, -0.0046172400000000 ] - [ -0.0000079500000000, 0.0011215800000000, -0.0011610500000000 ] - [ 0.0081564400000000, 0.0142357900000000, -0.0008942300000000 ] - [ 0.0006156800000000, -0.0015649300000000, 0.0014812400000000 ] - [ -0.0043084700000000, -0.0048952700000000, -0.0046583500000000 ] - [ -0.0002927400000000, 0.0018325900000000, -0.0003302300000000 ] - [ -0.0000215300000000, 0.0003247400000000, -0.0027193000000000 ] - [ -0.0000597500000000, -0.0001547900000000, -0.0015045700000000 ] - [ 0.0342914300000000, -0.0203935300000000, 0.0496224800000000 ] - [ -0.0001388000000000, -0.0005671700000000, 0.0022086100000000 ] - [ -0.0015527400000000, 0.0013417100000000, -0.0036520700000000 ] - [ -0.0001406500000000, -0.0006549400000000, -0.0012552900000000 ] - [ 0.0019472400000000, -0.0023565600000000, -0.0046172400000000 ] - [ 0.0000079500000000, 0.0011215800000000, -0.0011610500000000 ] - [ -0.0081564400000000, 0.0142357900000000, -0.0008942300000000 ] - [ -0.0006156800000000, -0.0015649300000000, 0.0014812400000000 ] - [ 0.0043084700000000, -0.0048952700000000, -0.0046583500000000 ] - [ 0.0002927400000000, 0.0018325900000000, -0.0003302300000000 ] - [ 0.0000215300000000, 0.0003247400000000, -0.0027193000000000 ] - [ 0.0000597500000000, -0.0001547900000000, -0.0015045700000000 ] - [ 0.0000000000000000, 0.0012165600000000, 0.0025807300000000 ] - [ 0.0000000000000000, 0.0003699500000000, 0.0022257800000000 ] - [ 0.0000000000000000, -0.0002767300000000, -0.0006381100000000 ] - [ 0.0000000000000000, -0.0006132200000000, -0.0004151400000000 ] - [ 0.0000000000000000, -0.0004001700000000, 0.0007730500000000 ] - [ 0.0000000000000000, 0.0008047100000000, 0.0012134300000000 ] - [ 0.0000000000000000, -0.0007015600000000, 0.0030916300000000 ] - [ 0.0000000000000000, -0.0015856500000000, 0.0030139200000000 ] - [ 0.0000000000000000, -0.0005513600000000, 0.0009009500000000 ] - [ 0.0000000000000000, 0.0007534600000000, 0.0003221700000000 ] - [ 0.0000000000000000, 0.0007683800000000, -0.0007900700000000 ] - [ 0.0000000000000000, 0.0000798100000000, -0.0001521000000000 ] - [ -0.0006825600000000, -0.0007391100000000, 0.0021902700000000 ] - [ -0.0003507100000000, 0.0003521900000000, 0.0009887700000000 ] - [ -0.0005056300000000, -0.0004271500000000, -0.0011917400000000 ] - [ -0.0000744100000000, 0.0000276800000000, -0.0008190200000000 ] - [ 0.0011635000000000, 0.0003996400000000, -0.0010841800000000 ] - [ 0.0003134500000000, -0.0002849900000000, -0.0003989000000000 ] - [ -0.0014930000000000, -0.0010926700000000, 0.0016269900000000 ] - [ -0.0003714900000000, 0.0005134200000000, 0.0006273900000000 ] - [ 0.0012983200000000, 0.0007740000000000, -0.0001427600000000 ] - [ 0.0003021900000000, -0.0000267900000000, 0.0001481000000000 ] - [ -0.0003333900000000, -0.0000449700000000, -0.0014792300000000 ] - [ -0.0001143900000000, 0.0001978100000000, -0.0009677200000000 ] - [ 0.0006825600000000, -0.0007391100000000, 0.0021902700000000 ] - [ 0.0003507100000000, 0.0003521900000000, 0.0009887700000000 ] - [ 0.0005056300000000, -0.0004271500000000, -0.0011917400000000 ] - [ 0.0000744100000000, 0.0000276800000000, -0.0008190200000000 ] - [ -0.0011635000000000, 0.0003996400000000, -0.0010841800000000 ] - [ -0.0003134500000000, -0.0002849900000000, -0.0003989000000000 ] - [ 0.0014930000000000, -0.0010926700000000, 0.0016269900000000 ] - [ 0.0003714900000000, 0.0005134200000000, 0.0006273900000000 ] - [ -0.0012983200000000, 0.0007740000000000, -0.0001427600000000 ] - [ -0.0003021900000000, -0.0000267900000000, 0.0001481000000000 ] - [ 0.0003333900000000, -0.0000449700000000, -0.0014792300000000 ] - [ 0.0001143900000000, 0.0001978100000000, -0.0009677200000000 ] - [ 0.0019626700000000, 0.0014275000000000, -0.0056353700000000 ] - [ 0.0003525200000000, -0.0015580800000000, -0.0016842800000000 ] - [ 0.0004691000000000, 0.0005376300000000, 0.0018896000000000 ] - [ 0.0001566000000000, -0.0005333100000000, 0.0009119900000000 ] - [ -0.0012130200000000, -0.0011707500000000, 0.0021268800000000 ] - [ -0.0004406600000000, 0.0010826200000000, 0.0005416000000000 ] - [ -0.0019626700000000, 0.0014275000000000, -0.0056353700000000 ] - [ -0.0003525200000000, -0.0015580800000000, -0.0016842800000000 ] - [ -0.0004691000000000, 0.0005376300000000, 0.0018896000000000 ] - [ -0.0001566000000000, -0.0005333100000000, 0.0009119900000000 ] - [ 0.0012130200000000, -0.0011707500000000, 0.0021268800000000 ] - [ 0.0004406600000000, 0.0010826200000000, 0.0005416000000000 ] - [ -0.0056995400000000, -0.0040291600000000, 0.0050856700000000 ] - [ -0.0004480500000000, 0.0013112900000000, -0.0001149800000000 ] - [ 0.0002650000000000, 0.0001984800000000, 0.0020460600000000 ] - [ 0.0001007900000000, -0.0001127900000000, 0.0009770400000000 ] - [ 0.0109560500000000, 0.0081281500000000, 0.0032428600000000 ] - [ 0.0005623600000000, -0.0018116100000000, -0.0008551700000000 ] - [ 0.0056995400000000, -0.0040291600000000, 0.0050856700000000 ] - [ 0.0004480500000000, 0.0013112900000000, -0.0001149800000000 ] - [ -0.0002650000000000, 0.0001984800000000, 0.0020460600000000 ] - [ -0.0001007900000000, -0.0001127900000000, 0.0009770400000000 ] - [ -0.0109560500000000, 0.0081281500000000, 0.0032428600000000 ] - [ -0.0005623600000000, -0.0018116100000000, -0.0008551700000000 ] - [ -0.0013061100000000, 0.0004999600000000, -0.0023182800000000 ] - [ -0.0000966600000000, -0.0001220400000000, -0.0008212300000000 ] - [ -0.0006890700000000, -0.0000922300000000, 0.0010671800000000 ] - [ -0.0002146900000000, 0.0000472800000000, 0.0005251000000000 ] - [ 0.0013168000000000, 0.0002103700000000, 0.0007993300000000 ] - [ 0.0002248400000000, -0.0001992200000000, 0.0003061300000000 ] - [ 0.0013061100000000, 0.0004999600000000, -0.0023182800000000 ] - [ 0.0000966600000000, -0.0001220400000000, -0.0008212300000000 ] - [ 0.0006890700000000, -0.0000922300000000, 0.0010671800000000 ] - [ 0.0002146900000000, 0.0000472800000000, 0.0005251000000000 ] - [ -0.0013168000000000, 0.0002103700000000, 0.0007993300000000 ] - [ -0.0002248400000000, -0.0001992200000000, 0.0003061300000000 ] - [ 0.0019480800000000, 0.0004269900000000, 0.0001795700000000 ] - [ 0.0003761200000000, -0.0002533100000000, -0.0000280100000000 ] - [ -0.0000997800000000, -0.0000242200000000, 0.0011598000000000 ] - [ -0.0000183000000000, 0.0000282800000000, 0.0006668200000000 ] - [ -0.0028005200000000, -0.0003081900000000, -0.0008905600000000 ] - [ -0.0002381800000000, -0.0000210800000000, -0.0006553600000000 ] - [ -0.0019480800000000, 0.0004269900000000, 0.0001795700000000 ] - [ -0.0003761200000000, -0.0002533100000000, -0.0000280100000000 ] - [ 0.0000997800000000, -0.0000242200000000, 0.0011598000000000 ] - [ 0.0000183000000000, 0.0000282800000000, 0.0006668200000000 ] - [ 0.0028005200000000, -0.0003081900000000, -0.0008905600000000 ] - [ 0.0002381800000000, -0.0000210800000000, -0.0006553600000000 ] - [ 0.0000000000000000, 0.0115590000000000, -0.3429369000000000 ] - [ 0.0000000000000000, 0.0001536600000000, -0.0047114300000000 ] - [ 0.0000000000000000, -0.0022968500000000, 0.0123743200000000 ] - [ 0.0000000000000000, 0.0013246900000000, 0.0008287600000000 ] - [ 0.0000000000000000, 0.0048506000000000, 0.0123131100000000 ] - [ 0.0000000000000000, -0.0007726700000000, 0.0008335800000000 ] - [ 0.0000000000000000, 0.0217860200000000, 0.0287595000000000 ] - [ 0.0000000000000000, -0.0029529400000000, -0.0018544200000000 ] - [ 0.0000000000000000, -0.0014043700000000, 0.0066336800000000 ] - [ 0.0000000000000000, -0.0005127400000000, 0.0016700700000000 ] - [ 0.0000000000000000, -0.0486116800000000, 0.0286535600000000 ] - [ 0.0000000000000000, 0.0013000400000000, -0.0018393100000000 ] - [ 0.0000000000000000, 0.0012907500000000, -0.0036453900000000 ] - [ 0.0000000000000000, 0.0001291900000000, -0.0036475700000000 ] - [ 0.0000000000000000, 0.0016377800000000, 0.0001862100000000 ] - [ 0.0000000000000000, 0.0005510400000000, 0.0006024300000000 ] - [ 0.0000000000000000, -0.0012545500000000, 0.0006074600000000 ] - [ 0.0000000000000000, 0.0006826300000000, 0.0001932700000000 ] - [ 0.0000000000000000, -0.0024702400000000, -0.0017555500000000 ] - [ 0.0000000000000000, -0.0005212000000000, -0.0018881800000000 ] - [ 0.0000000000000000, -0.0001320500000000, 0.0012169900000000 ] - [ 0.0000000000000000, -0.0008297300000000, 0.0011749900000000 ] - [ 0.0000000000000000, 0.0015886600000000, -0.0017417600000000 ] - [ 0.0000000000000000, -0.0004676900000000, -0.0018807400000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0531289400000000, -0.0620290300000000 ] - [ 0.0000000000000000, -0.0013001700000000, -0.0008508500000000 ] - [ 0.0000000000000000, 0.0023102800000000, 0.0077724200000000 ] - [ 0.0000000000000000, 0.0008353400000000, 0.0028830800000000 ] - [ 0.0000000000000000, -0.0016767900000000, 0.0144269600000000 ] - [ 0.0000000000000000, 0.0001867100000000, 0.0010430500000000 ] - [ 0.0000000000000000, 0.0299682500000000, -0.1513585500000000 ] - [ 0.0000000000000000, 0.0004490600000000, -0.0013117100000000 ] - [ 0.0000000000000000, -0.0009935900000000, 0.0149006000000000 ] - [ 0.0000000000000000, -0.0006311900000000, 0.0015796200000000 ] - [ 0.0000000000000000, -0.0016803800000000, 0.0071343200000000 ] - [ 0.0000000000000000, -0.0009422900000000, 0.0028326700000000 ] - [ 0.0351464700000000, 0.0207112100000000, -0.0504510800000000 ] - [ -0.0000986400000000, 0.0003513400000000, -0.0023394300000000 ] - [ -0.0014936100000000, -0.0015471400000000, 0.0035025300000000 ] - [ -0.0000982300000000, 0.0004334800000000, 0.0011305000000000 ] - [ 0.0019907900000000, 0.0021336100000000, 0.0044964200000000 ] - [ 0.0000498600000000, -0.0013462400000000, 0.0010323600000000 ] - [ -0.0082144300000000, -0.0140583600000000, 0.0007748300000000 ] - [ -0.0006589400000000, 0.0017867500000000, -0.0016249200000000 ] - [ 0.0042848900000000, 0.0050971100000000, 0.0045953300000000 ] - [ 0.0002500900000000, -0.0016019900000000, 0.0002130100000000 ] - [ -0.0000242100000000, -0.0001095100000000, 0.0025849400000000 ] - [ 0.0000175100000000, 0.0003803200000000, 0.0013756500000000 ] - [ -0.0351464700000000, 0.0207112100000000, -0.0504510800000000 ] - [ 0.0000986400000000, 0.0003513400000000, -0.0023394300000000 ] - [ 0.0014936100000000, -0.0015471400000000, 0.0035025300000000 ] - [ 0.0000982300000000, 0.0004334800000000, 0.0011305000000000 ] - [ -0.0019907900000000, 0.0021336100000000, 0.0044964200000000 ] - [ -0.0000498600000000, -0.0013462400000000, 0.0010323600000000 ] - [ 0.0082144300000000, -0.0140583600000000, 0.0007748300000000 ] - [ 0.0006589400000000, 0.0017867500000000, -0.0016249200000000 ] - [ -0.0042848900000000, 0.0050971100000000, 0.0045953300000000 ] - [ -0.0002500900000000, -0.0016019900000000, 0.0002130100000000 ] - [ 0.0000242100000000, -0.0001095100000000, 0.0025849400000000 ] - [ -0.0000175100000000, 0.0003803200000000, 0.0013756500000000 ] - [ 0.0000000000000000, -0.0008455500000000, -0.0005326500000000 ] - [ 0.0000000000000000, 0.0000055300000000, -0.0001828500000000 ] - [ 0.0000000000000000, 0.0006505700000000, 0.0026801300000000 ] - [ 0.0000000000000000, 0.0009829500000000, 0.0024562100000000 ] - [ 0.0000000000000000, 0.0007685500000000, 0.0012561800000000 ] - [ 0.0000000000000000, -0.0004371700000000, 0.0008195800000000 ] - [ 0.0000000000000000, 0.0003351800000000, -0.0010626400000000 ] - [ 0.0000000000000000, 0.0012162800000000, -0.0009824500000000 ] - [ 0.0000000000000000, 0.0001781600000000, 0.0011443700000000 ] - [ 0.0000000000000000, -0.0011250100000000, 0.0017238200000000 ] - [ 0.0000000000000000, -0.0011406000000000, 0.0028282600000000 ] - [ 0.0000000000000000, -0.0004480500000000, 0.0021866000000000 ] - [ 0.0007349100000000, 0.0005263100000000, -0.0023198100000000 ] - [ 0.0003987600000000, -0.0005775000000000, -0.0011169300000000 ] - [ 0.0005479200000000, 0.0002034400000000, 0.0010674800000000 ] - [ 0.0001172100000000, -0.0002468300000000, 0.0006934100000000 ] - [ -0.0011215600000000, -0.0006216200000000, 0.0009542700000000 ] - [ -0.0002680500000000, 0.0000657900000000, 0.0002672700000000 ] - [ 0.0014481100000000, 0.0013155800000000, -0.0017704600000000 ] - [ 0.0003277000000000, -0.0002935900000000, -0.0007598100000000 ] - [ -0.0013357200000000, -0.0005524000000000, 0.0000259600000000 ] - [ -0.0003450800000000, 0.0002484200000000, -0.0002725200000000 ] - [ 0.0002922300000000, 0.0002666600000000, 0.0013504600000000 ] - [ 0.0000707400000000, 0.0000225900000000, 0.0008399800000000 ] - [ -0.0007349100000000, 0.0005263100000000, -0.0023198100000000 ] - [ -0.0003987600000000, -0.0005775000000000, -0.0011169300000000 ] - [ -0.0005479200000000, 0.0002034400000000, 0.0010674800000000 ] - [ -0.0001172100000000, -0.0002468300000000, 0.0006934100000000 ] - [ 0.0011215600000000, -0.0006216200000000, 0.0009542700000000 ] - [ 0.0002680500000000, 0.0000657900000000, 0.0002672700000000 ] - [ -0.0014481100000000, 0.0013155800000000, -0.0017704600000000 ] - [ -0.0003277000000000, -0.0002935900000000, -0.0007598100000000 ] - [ 0.0013357200000000, -0.0005524000000000, 0.0000259600000000 ] - [ 0.0003450800000000, 0.0002484200000000, -0.0002725200000000 ] - [ -0.0002922300000000, 0.0002666600000000, 0.0013504600000000 ] - [ -0.0000707400000000, 0.0000225900000000, 0.0008399800000000 ] - [ -0.0020637100000000, -0.0014580000000000, 0.0056488800000000 ] - [ -0.0004480600000000, 0.0015590400000000, 0.0016831000000000 ] - [ -0.0005499300000000, -0.0005360700000000, -0.0018851400000000 ] - [ -0.0002394800000000, 0.0005221400000000, -0.0009058800000000 ] - [ 0.0011279000000000, 0.0011658800000000, -0.0021229300000000 ] - [ 0.0003569500000000, -0.0010909700000000, -0.0005328300000000 ] - [ 0.0020637100000000, -0.0014580000000000, 0.0056488800000000 ] - [ 0.0004480600000000, 0.0015590400000000, 0.0016831000000000 ] - [ 0.0005499300000000, -0.0005360700000000, -0.0018851400000000 ] - [ 0.0002394800000000, 0.0005221400000000, -0.0009058800000000 ] - [ -0.0011279000000000, 0.0011658800000000, -0.0021229300000000 ] - [ -0.0003569500000000, -0.0010909700000000, -0.0005328300000000 ] - [ 0.0057053000000000, 0.0039848800000000, -0.0050305800000000 ] - [ 0.0005336500000000, -0.0013084900000000, 0.0001173700000000 ] - [ -0.0001825100000000, -0.0001951700000000, -0.0020366400000000 ] - [ -0.0000163400000000, 0.0001189900000000, -0.0009708800000000 ] - [ -0.0109813200000000, -0.0081932400000000, -0.0032967200000000 ] - [ -0.0004786700000000, 0.0018230100000000, 0.0008663500000000 ] - [ -0.0057053000000000, 0.0039848800000000, -0.0050305800000000 ] - [ -0.0005336500000000, -0.0013084900000000, 0.0001173700000000 ] - [ 0.0001825100000000, -0.0001951700000000, -0.0020366400000000 ] - [ 0.0000163400000000, 0.0001189900000000, -0.0009708800000000 ] - [ 0.0109813200000000, -0.0081932400000000, -0.0032967200000000 ] - [ 0.0004786700000000, 0.0018230100000000, 0.0008663500000000 ] - [ 0.0012281400000000, -0.0004961900000000, 0.0023186900000000 ] - [ 0.0000124500000000, 0.0001175800000000, 0.0008283300000000 ] - [ 0.0005975000000000, 0.0000888800000000, -0.0010620500000000 ] - [ 0.0001296200000000, -0.0000527300000000, -0.0005202800000000 ] - [ -0.0014052700000000, -0.0002150700000000, -0.0007899600000000 ] - [ -0.0003103400000000, 0.0001947600000000, -0.0002979800000000 ] - [ -0.0012281400000000, -0.0004961900000000, 0.0023186900000000 ] - [ -0.0000124500000000, 0.0001175800000000, 0.0008283300000000 ] - [ -0.0005975000000000, 0.0000888800000000, -0.0010620500000000 ] - [ -0.0001296200000000, -0.0000527300000000, -0.0005202800000000 ] - [ 0.0014052700000000, -0.0002150700000000, -0.0007899600000000 ] - [ 0.0003103400000000, 0.0001947600000000, -0.0002979800000000 ] - [ -0.0018629700000000, -0.0004198300000000, -0.0001808600000000 ] - [ -0.0002903100000000, 0.0002579800000000, 0.0000299800000000 ] - [ 0.0001863800000000, 0.0000306600000000, -0.0011530100000000 ] - [ 0.0001040800000000, -0.0000240100000000, -0.0006598500000000 ] - [ 0.0028900000000000, 0.0003100300000000, 0.0009054900000000 ] - [ 0.0003231500000000, 0.0000280100000000, 0.0006658800000000 ] - [ 0.0018629700000000, -0.0004198300000000, -0.0001808600000000 ] - [ 0.0002903100000000, 0.0002579800000000, 0.0000299800000000 ] - [ -0.0001863800000000, 0.0000306600000000, -0.0011530100000000 ] - [ -0.0001040800000000, -0.0000240100000000, -0.0006598500000000 ] - [ -0.0028900000000000, 0.0003100300000000, 0.0009054900000000 ] - [ -0.0003231500000000, 0.0000280100000000, 0.0006658800000000 ] - [ 0.0000000000000000, -0.0175162300000000, 0.3535206600000000 ] - [ 0.0000000000000000, 0.0008854400000000, 0.0029233100000000 ] - [ 0.0000000000000000, 0.0032925400000000, -0.0140367700000000 ] - [ 0.0000000000000000, -0.0002844700000000, -0.0026299100000000 ] - [ 0.0000000000000000, -0.0037780400000000, -0.0140966300000000 ] - [ 0.0000000000000000, 0.0018191200000000, -0.0026245400000000 ] - [ 0.0000000000000000, -0.0224658000000000, -0.0306545300000000 ] - [ 0.0000000000000000, 0.0019030800000000, 0.0000399400000000 ] - [ 0.0000000000000000, 0.0003738500000000, -0.0083995000000000 ] - [ 0.0000000000000000, -0.0005360700000000, -0.0034649300000000 ] - [ 0.0000000000000000, 0.0477308300000000, -0.0307615300000000 ] - [ 0.0000000000000000, -0.0023405600000000, 0.0000554100000000 ] - [ 0.0000000000000000, -0.0002594700000000, 0.0018574500000000 ] - [ 0.0000000000000000, 0.0009161300000000, 0.0018550100000000 ] - [ 0.0000000000000000, -0.0005911600000000, -0.0019889600000000 ] - [ 0.0000000000000000, 0.0004903100000000, -0.0024041300000000 ] - [ 0.0000000000000000, 0.0023011800000000, -0.0023990200000000 ] - [ 0.0000000000000000, 0.0003612200000000, -0.0019815400000000 ] - [ 0.0000000000000000, 0.0014220900000000, -0.0000575500000000 ] - [ 0.0000000000000000, -0.0005220000000000, 0.0000857300000000 ] - [ 0.0000000000000000, -0.0009162700000000, -0.0030109700000000 ] - [ 0.0000000000000000, -0.0002128200000000, -0.0029705200000000 ] - [ 0.0000000000000000, -0.0026319400000000, -0.0000429500000000 ] - [ 0.0000000000000000, -0.0005771200000000, 0.0000934800000000 ]