# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d0e8088-5c94-4355-948b-e7f2edf9e614/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 Na2PtO3 / C2/c (15) / materials id 557450](https://mdr.nims.go.jp/datasets/dca3c25d-6a88-4a1a-9d26-2e645c7c1701) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.722763085000000, -4.716847485000000, 0.002436260000000 ] # a - [ 2.722763085000000, 4.716847485000000, 0.002436260000000 ] # b - [ -1.851618090000000, 0.000000000000000, 10.513741250000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.084885390000000, 0.915114610000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.159620260000000, 0.319541660000000, 0.999929830000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.915114610000000, 0.084885390000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.680458340000000, 0.840379740000000, 0.500070170000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.840379740000000, 0.680458340000000, 0.000070170000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.319541660000000, 0.159620260000000, 0.499929830000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Pt # 9 coordinates: [ 0.249171070000000, 0.750828930000000, 0.250000000000000 ] mass: 195.084000 - symbol: Pt # 10 coordinates: [ 0.582273810000000, 0.417726190000000, 0.250000000000000 ] mass: 195.084000 - symbol: Pt # 11 coordinates: [ 0.750828930000000, 0.249171070000000, 0.750000000000000 ] mass: 195.084000 - symbol: Pt # 12 coordinates: [ 0.417726190000000, 0.582273810000000, 0.750000000000000 ] mass: 195.084000 - symbol: O # 13 coordinates: [ 0.312443970000000, 0.481395530000000, 0.353605850000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.588912020000000, 0.119399840000000, 0.353699280000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.481395530000000, 0.312443970000000, 0.853605850000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.687556030000000, 0.518604470000000, 0.646394150000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.119399840000000, 0.588912020000000, 0.853699280000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.880600160000000, 0.411087980000000, 0.146300720000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.758381990000000, 0.950416070000000, 0.853710860000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.411087980000000, 0.880600160000000, 0.646300720000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.950416070000000, 0.758381990000000, 0.353710860000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.241618010000000, 0.049583930000000, 0.146289140000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.049583930000000, 0.241618010000000, 0.646289140000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.518604470000000, 0.687556030000000, 0.146394150000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.183608050194242, -0.106003003402176, 0.032335966724432 ] # a* - [ 0.183608050194242, 0.106003003402176, 0.032335966724432 ] # b* - [ -0.000085091869341, 0.000000000000000, 0.095098635070120 ] # c*unit_cell: lattice: - [ 5.445526170000000, 0.000000000000000, 0.004872520000000 ] # a - [ 0.000000000000000, 9.433694969999999, 0.000000000000000 ] # b - [ -1.851618090000000, 0.000000000000000, 10.513741250000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.500000000000000, 0.415114610000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.239580960000000, 0.079960700000000, 0.999929830000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.084885390000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.760419040000000, 0.079960700000000, 0.500070170000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.260419040000000, 0.420039300000000, 0.000070170000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.739580960000000, 0.420039300000000, 0.499929830000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.915114610000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 10 coordinates: [ 0.739580960000000, 0.579960700000000, 0.999929830000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 11 coordinates: [ 0.500000000000000, 0.584885390000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 12 coordinates: [ 0.260419040000000, 0.579960700000000, 0.500070170000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 13 coordinates: [ 0.760419040000000, 0.920039300000000, 0.000070170000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 14 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 15 coordinates: [ 0.239580960000000, 0.920039300000000, 0.499929830000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 16 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Pt # 17 coordinates: [ 0.500000000000000, 0.250828930000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 17 - symbol: Pt # 18 coordinates: [ 0.000000000000000, 0.417726190000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 18 - symbol: Pt # 19 coordinates: [ 0.000000000000000, 0.249171070000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 19 - symbol: Pt # 20 coordinates: [ 0.500000000000000, 0.082273810000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 20 - symbol: Pt # 21 coordinates: [ 0.000000000000000, 0.750828930000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 17 - symbol: Pt # 22 coordinates: [ 0.500000000000000, 0.917726190000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 18 - symbol: Pt # 23 coordinates: [ 0.500000000000000, 0.749171070000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 19 - symbol: Pt # 24 coordinates: [ 0.000000000000000, 0.582273810000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 20 - symbol: O # 25 coordinates: [ 0.396919750000000, 0.084475780000000, 0.353605850000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.854155930000000, 0.265243910000000, 0.353699280000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.896919750000000, 0.415524220000000, 0.853605850000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.103080250000000, 0.415524220000000, 0.646394150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.354155930000000, 0.234756090000000, 0.853699280000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.145844070000000, 0.265243910000000, 0.146300720000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.854399030000000, 0.096017040000000, 0.853710860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.645844070000000, 0.234756090000000, 0.646300720000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.354399030000000, 0.403982960000000, 0.353710860000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.645600970000000, 0.403982960000000, 0.146289140000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.145600970000000, 0.096017040000000, 0.646289140000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.603080250000000, 0.084475780000000, 0.146394150000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.896919750000000, 0.584475780000000, 0.353605850000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 38 coordinates: [ 0.354155930000000, 0.765243910000000, 0.353699280000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 39 coordinates: [ 0.396919750000000, 0.915524220000000, 0.853605850000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 40 coordinates: [ 0.603080250000000, 0.915524220000000, 0.646394150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.854155930000000, 0.734756090000000, 0.853699280000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 42 coordinates: [ 0.645844070000000, 0.765243910000000, 0.146300720000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 43 coordinates: [ 0.354399030000000, 0.596017040000000, 0.853710860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 44 coordinates: [ 0.145844070000000, 0.734756090000000, 0.646300720000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 45 coordinates: [ 0.854399030000000, 0.903982960000000, 0.353710860000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 46 coordinates: [ 0.145600970000000, 0.903982960000000, 0.146289140000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 47 coordinates: [ 0.645600970000000, 0.596017040000000, 0.646289140000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 48 coordinates: [ 0.103080250000000, 0.584475780000000, 0.146394150000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 10.891052340000000, 0.000000000000000, 0.009745040000000 ] # a - [ 0.000000000000000, 9.433694969999999, 0.000000000000000 ] # b - [ -1.851618090000000, 0.000000000000000, 10.513741250000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.250000000000000, 0.415114610000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.750000000000000, 0.415114610000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.119790480000000, 0.079960700000000, 0.999929830000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.619790480000000, 0.079960700000000, 0.999929830000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.084885390000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.084885390000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.380209520000000, 0.079960700000000, 0.500070170000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.880209520000000, 0.079960700000000, 0.500070170000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.130209520000000, 0.420039300000000, 0.000070170000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.630209520000000, 0.420039300000000, 0.000070170000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.375000000000000, 0.250000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.875000000000000, 0.250000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.369790480000000, 0.420039300000000, 0.499929830000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.869790480000000, 0.420039300000000, 0.499929830000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.125000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.625000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.000000000000000, 0.915114610000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 18 coordinates: [ 0.500000000000000, 0.915114610000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 19 coordinates: [ 0.369790480000000, 0.579960700000000, 0.999929830000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 20 coordinates: [ 0.869790480000000, 0.579960700000000, 0.999929830000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 21 coordinates: [ 0.250000000000000, 0.584885390000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 22 coordinates: [ 0.750000000000000, 0.584885390000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 23 coordinates: [ 0.130209520000000, 0.579960700000000, 0.500070170000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 24 coordinates: [ 0.630209520000000, 0.579960700000000, 0.500070170000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 25 coordinates: [ 0.380209520000000, 0.920039300000000, 0.000070170000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 26 coordinates: [ 0.880209520000000, 0.920039300000000, 0.000070170000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 27 coordinates: [ 0.125000000000000, 0.750000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 28 coordinates: [ 0.625000000000000, 0.750000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 29 coordinates: [ 0.119790480000000, 0.920039300000000, 0.499929830000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 30 coordinates: [ 0.619790480000000, 0.920039300000000, 0.499929830000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 31 coordinates: [ 0.375000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 32 coordinates: [ 0.875000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Pt # 33 coordinates: [ 0.250000000000000, 0.250828930000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 33 - symbol: Pt # 34 coordinates: [ 0.750000000000000, 0.250828930000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 33 - symbol: Pt # 35 coordinates: [ 0.000000000000000, 0.417726190000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 35 - symbol: Pt # 36 coordinates: [ 0.500000000000000, 0.417726190000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 35 - symbol: Pt # 37 coordinates: [ 0.000000000000000, 0.249171070000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 37 - symbol: Pt # 38 coordinates: [ 0.500000000000000, 0.249171070000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 37 - symbol: Pt # 39 coordinates: [ 0.250000000000000, 0.082273810000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 39 - symbol: Pt # 40 coordinates: [ 0.750000000000000, 0.082273810000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 39 - symbol: Pt # 41 coordinates: [ 0.000000000000000, 0.750828930000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 33 - symbol: Pt # 42 coordinates: [ 0.500000000000000, 0.750828930000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 33 - symbol: Pt # 43 coordinates: [ 0.250000000000000, 0.917726190000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 35 - symbol: Pt # 44 coordinates: [ 0.750000000000000, 0.917726190000000, 0.250000000000000 ] mass: 195.084000 reduced_to: 35 - symbol: Pt # 45 coordinates: [ 0.250000000000000, 0.749171070000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 37 - symbol: Pt # 46 coordinates: [ 0.750000000000000, 0.749171070000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 37 - symbol: Pt # 47 coordinates: [ 0.000000000000000, 0.582273810000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 39 - symbol: Pt # 48 coordinates: [ 0.500000000000000, 0.582273810000000, 0.750000000000000 ] mass: 195.084000 reduced_to: 39 - symbol: O # 49 coordinates: [ 0.198459875000000, 0.084475780000000, 0.353605850000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.698459875000000, 0.084475780000000, 0.353605850000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.427077965000000, 0.265243910000000, 0.353699280000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.927077965000000, 0.265243910000000, 0.353699280000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.448459875000000, 0.415524220000000, 0.853605850000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.948459875000000, 0.415524220000000, 0.853605850000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.051540125000000, 0.415524220000000, 0.646394150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.551540125000000, 0.415524220000000, 0.646394150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.177077965000000, 0.234756090000000, 0.853699280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.677077965000000, 0.234756090000000, 0.853699280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.072922035000000, 0.265243910000000, 0.146300720000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.572922035000000, 0.265243910000000, 0.146300720000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.427199515000000, 0.096017040000000, 0.853710860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.927199515000000, 0.096017040000000, 0.853710860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.322922035000000, 0.234756090000000, 0.646300720000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.822922035000000, 0.234756090000000, 0.646300720000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.177199515000000, 0.403982960000000, 0.353710860000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.677199515000000, 0.403982960000000, 0.353710860000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.322800485000000, 0.403982960000000, 0.146289140000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.822800485000000, 0.403982960000000, 0.146289140000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.072800485000000, 0.096017040000000, 0.646289140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.572800485000000, 0.096017040000000, 0.646289140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.301540125000000, 0.084475780000000, 0.146394150000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.801540125000000, 0.084475780000000, 0.146394150000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.448459875000000, 0.584475780000000, 0.353605850000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.948459875000000, 0.584475780000000, 0.353605850000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.177077965000000, 0.765243910000000, 0.353699280000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 76 coordinates: [ 0.677077965000000, 0.765243910000000, 0.353699280000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 77 coordinates: [ 0.198459875000000, 0.915524220000000, 0.853605850000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.698459875000000, 0.915524220000000, 0.853605850000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.301540125000000, 0.915524220000000, 0.646394150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.801540125000000, 0.915524220000000, 0.646394150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 81 coordinates: [ 0.427077965000000, 0.734756090000000, 0.853699280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.927077965000000, 0.734756090000000, 0.853699280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.322922035000000, 0.765243910000000, 0.146300720000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 84 coordinates: [ 0.822922035000000, 0.765243910000000, 0.146300720000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 85 coordinates: [ 0.177199515000000, 0.596017040000000, 0.853710860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.677199515000000, 0.596017040000000, 0.853710860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.072922035000000, 0.734756090000000, 0.646300720000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 88 coordinates: [ 0.572922035000000, 0.734756090000000, 0.646300720000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 89 coordinates: [ 0.427199515000000, 0.903982960000000, 0.353710860000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.927199515000000, 0.903982960000000, 0.353710860000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 91 coordinates: [ 0.072800485000000, 0.903982960000000, 0.146289140000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 92 coordinates: [ 0.572800485000000, 0.903982960000000, 0.146289140000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 93 coordinates: [ 0.322800485000000, 0.596017040000000, 0.646289140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.822800485000000, 0.596017040000000, 0.646289140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 95 coordinates: [ 0.051540125000000, 0.584475780000000, 0.146394150000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 96 coordinates: [ 0.551540125000000, 0.584475780000000, 0.146394150000000 ] mass: 15.999400 reduced_to: 71displacements:- atom: 1 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ -0.0784637300000000, -0.0000290200000000, 0.0003725000000000 ] - [ 0.0008221100000000, -0.0000179400000000, -0.0000485200000000 ] - [ -0.0002926000000000, 0.0002671500000000, -0.0001613100000000 ] - [ 0.0000526900000000, -0.0001527200000000, 0.0001750500000000 ] - [ 0.0000036100000000, 0.0000298600000000, 0.0000005000000000 ] - [ 0.0000034700000000, 0.0000062100000000, 0.0000000300000000 ] - [ -0.0000622300000000, -0.0002263800000000, -0.0001722600000000 ] - [ 0.0002856600000000, 0.0001958900000000, 0.0001634700000000 ] - [ 0.0010263500000000, -0.0000607400000000, -0.0030198100000000 ] - [ 0.0004633700000000, -0.0000176400000000, 0.0003663000000000 ] - [ -0.0006577300000000, -0.0009042000000000, 0.0014633000000000 ] - [ 0.0003864500000000, 0.0000575000000000, -0.0001694400000000 ] - [ 0.0007851100000000, 0.0000205400000000, -0.0030312500000000 ] - [ 0.0002318000000000, -0.0000241600000000, 0.0003754100000000 ] - [ -0.0006475800000000, 0.0009130900000000, 0.0014722800000000 ] - [ 0.0003877400000000, -0.0000575300000000, -0.0001723300000000 ] - [ -0.0000670200000000, -0.0000178700000000, 0.0000212300000000 ] - [ -0.0000705400000000, -0.0000178100000000, 0.0000210000000000 ] - [ -0.0008658000000000, 0.0009003800000000, 0.0014399600000000 ] - [ 0.0002814900000000, -0.0000287700000000, -0.0001471700000000 ] - [ -0.0001055200000000, 0.0000179600000000, -0.0001207300000000 ] - [ 0.0000897800000000, 0.0000177500000000, 0.0000709800000000 ] - [ -0.0006231100000000, -0.0008670000000000, 0.0014387900000000 ] - [ 0.0005149000000000, 0.0000717400000000, -0.0001609100000000 ] - [ 0.0000380500000000, -0.0000101800000000, 0.0001644400000000 ] - [ 0.0002396400000000, -0.0000353400000000, -0.0001935600000000 ] - [ -0.0001867400000000, -0.0002589900000000, -0.0001577200000000 ] - [ 0.0001793300000000, 0.0001773400000000, 0.0001649800000000 ] - [ -0.0001930200000000, -0.0000316300000000, 0.0001745300000000 ] - [ 0.0000063600000000, -0.0000060800000000, -0.0001861300000000 ] - [ -0.0001885500000000, 0.0002601200000000, -0.0001587000000000 ] - [ 0.0001799000000000, -0.0001788000000000, 0.0001627900000000 ] - [ -0.0003910400000000, 0.0000293900000000, -0.0002201400000000 ] - [ 0.0003798500000000, 0.0000293200000000, 0.0001424500000000 ] - [ 0.0000096400000000, -0.0000096400000000, 0.0000540200000000 ] - [ 0.0000077700000000, -0.0001329600000000, 0.0000525200000000 ] - [ 0.0082023000000000, 0.0069016300000000, -0.0004748100000000 ] - [ 0.0082889000000000, -0.0070461100000000, -0.0004692700000000 ] - [ -0.0037333800000000, 0.0000898100000000, 0.0007130900000000 ] - [ 0.0016843100000000, 0.0000706600000000, 0.0002577000000000 ] - [ -0.0000142200000000, -0.0002119400000000, -0.0000119900000000 ] - [ -0.0000157800000000, 0.0002703700000000, -0.0000124700000000 ] - [ -0.0002218000000000, -0.0000700100000000, -0.0000264100000000 ] - [ 0.0002104800000000, -0.0000707000000000, 0.0000289700000000 ] - [ -0.0037559400000000, -0.0000471900000000, 0.0007665300000000 ] - [ 0.0017081900000000, -0.0000295700000000, 0.0002526800000000 ] - [ 0.0080931200000000, -0.0068240700000000, -0.0004778000000000 ] - [ 0.0081783100000000, 0.0070514700000000, -0.0004717800000000 ] - [ 0.0000953500000000, 0.0000455300000000, -0.0000552200000000 ] - [ -0.0000980800000000, 0.0000035100000000, 0.0000014800000000 ] - [ 0.0001395800000000, 0.0000857400000000, 0.0002918000000000 ] - [ -0.0002349400000000, -0.0000517100000000, -0.0003416700000000 ] - [ 0.0179998900000000, -0.0000090300000000, 0.0126090900000000 ] - [ -0.0004286900000000, -0.0000039600000000, -0.0005476900000000 ] - [ 0.0170959400000000, -0.0000263400000000, 0.0120847200000000 ] - [ -0.0004122900000000, -0.0000337300000000, -0.0004906500000000 ] - [ 0.0051266300000000, 0.0073131900000000, -0.0061818900000000 ] - [ -0.0010258100000000, 0.0004761600000000, -0.0000938400000000 ] - [ 0.0001292200000000, -0.0000525800000000, 0.0003472000000000 ] - [ -0.0002407200000000, 0.0000831100000000, -0.0002815100000000 ] - [ 0.0006347400000000, 0.0004486000000000, 0.0003264200000000 ] - [ -0.0015962800000000, -0.0012062000000000, 0.0003182200000000 ] - [ 0.0051394100000000, -0.0075178200000000, -0.0062203500000000 ] - [ -0.0010396200000000, -0.0005070100000000, -0.0000395400000000 ] - [ 0.0003119700000000, -0.0000399600000000, -0.0000273200000000 ] - [ -0.0001204100000000, 0.0000462100000000, -0.0000008500000000 ] - [ 0.0003082100000000, 0.0000689400000000, -0.0000327700000000 ] - [ -0.0001272500000000, -0.0000195700000000, -0.0000086300000000 ] - [ 0.0006284300000000, -0.0004727000000000, 0.0003205300000000 ] - [ -0.0016055300000000, 0.0011805000000000, 0.0003091100000000 ] - [ 0.0001159700000000, -0.0000083600000000, 0.0000104000000000 ] - [ -0.0000786300000000, 0.0000378700000000, 0.0000668000000000 ] - [ -0.0000996100000000, -0.0000750600000000, 0.0002091400000000 ] - [ 0.0000075800000000, 0.0001287500000000, -0.0002965600000000 ] - [ 0.0001198000000000, 0.0000384500000000, -0.0000599200000000 ] - [ -0.0000962900000000, -0.0000074300000000, 0.0000203800000000 ] - [ 0.0009163100000000, -0.0000006700000000, -0.0011382300000000 ] - [ -0.0003861100000000, -0.0000310000000000, 0.0002855300000000 ] - [ 0.0009364500000000, -0.0000379800000000, -0.0010720900000000 ] - [ -0.0003660900000000, -0.0000085800000000, 0.0003502300000000 ] - [ 0.0006460900000000, -0.0004888300000000, 0.0002982500000000 ] - [ -0.0016071400000000, 0.0011678300000000, 0.0002553700000000 ] - [ 0.0001157300000000, -0.0000059000000000, -0.0000000500000000 ] - [ -0.0001029500000000, 0.0000390800000000, 0.0000777100000000 ] - [ 0.0050330100000000, -0.0070974200000000, -0.0060286300000000 ] - [ -0.0010375200000000, -0.0005086400000000, -0.0000709900000000 ] - [ 0.0006370600000000, 0.0004532900000000, 0.0003580500000000 ] - [ -0.0016168500000000, -0.0012019000000000, 0.0003142700000000 ] - [ 0.0001838000000000, -0.0000475700000000, 0.0001117700000000 ] - [ -0.0001487700000000, 0.0000710000000000, -0.0000781100000000 ] - [ 0.0001763000000000, 0.0000753800000000, 0.0001037800000000 ] - [ -0.0001562700000000, -0.0000428500000000, -0.0000882900000000 ] - [ 0.0050471300000000, 0.0072380800000000, -0.0061310400000000 ] - [ -0.0010491400000000, 0.0004808800000000, -0.0000817000000000 ] - [ -0.0000807600000000, 0.0001145300000000, 0.0002753000000000 ] - [ 0.0000268100000000, -0.0000870000000000, -0.0002290500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0785182000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004988200000000, 0.0000000000000000 ] - [ -0.0000031400000000, 0.0002786900000000, -0.0002032500000000 ] - [ -0.0002094400000000, 0.0001831600000000, -0.0001887800000000 ] - [ 0.0000119100000000, 0.0000567100000000, 0.0000247000000000 ] - [ -0.0000119100000000, 0.0000567100000000, -0.0000247000000000 ] - [ 0.0000031400000000, 0.0002786900000000, 0.0002032500000000 ] - [ 0.0002094400000000, 0.0001831600000000, 0.0001887800000000 ] - [ 0.0000736900000000, -0.0011675600000000, 0.0000537600000000 ] - [ 0.0001172600000000, -0.0003272900000000, 0.0000074300000000 ] - [ -0.0008744600000000, 0.0004818900000000, -0.0024934800000000 ] - [ -0.0000252100000000, -0.0000831000000000, -0.0001484500000000 ] - [ -0.0000736900000000, -0.0011675600000000, -0.0000537600000000 ] - [ -0.0001172600000000, -0.0003272900000000, -0.0000074300000000 ] - [ 0.0008744600000000, 0.0004818900000000, 0.0024934800000000 ] - [ 0.0000252100000000, -0.0000831000000000, 0.0001484500000000 ] - [ -0.0000011400000000, 0.0004786600000000, -0.0000009300000000 ] - [ 0.0000011400000000, 0.0004786600000000, 0.0000009300000000 ] - [ 0.0007475400000000, 0.0004960700000000, 0.0026162500000000 ] - [ -0.0000900800000000, -0.0000748500000000, 0.0001545300000000 ] - [ 0.0000000000000000, -0.0000190500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000101200000000, 0.0000000000000000 ] - [ -0.0007475400000000, 0.0004960700000000, -0.0026162500000000 ] - [ 0.0000900800000000, -0.0000748500000000, -0.0001545300000000 ] - [ 0.0001142400000000, 0.0004102700000000, -0.0000219900000000 ] - [ 0.0001152200000000, 0.0001420500000000, -0.0000150300000000 ] - [ -0.0001197600000000, 0.0002568100000000, 0.0002096900000000 ] - [ 0.0000919200000000, 0.0001455700000000, 0.0001832200000000 ] - [ -0.0001142400000000, 0.0004102700000000, 0.0000219900000000 ] - [ -0.0001152200000000, 0.0001420500000000, 0.0000150300000000 ] - [ 0.0001197600000000, 0.0002568100000000, -0.0002096900000000 ] - [ -0.0000919200000000, 0.0001455700000000, -0.0001832200000000 ] - [ 0.0000000000000000, -0.0000801900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000116600000000, 0.0000000000000000 ] - [ 0.0000399700000000, -0.0003561600000000, 0.0000026400000000 ] - [ -0.0000399700000000, -0.0003561600000000, -0.0000026400000000 ] - [ 0.0065282100000000, 0.0001900700000000, 0.0007952200000000 ] - [ -0.0065282100000000, 0.0001900700000000, -0.0007952200000000 ] - [ 0.0000000000000000, 0.0130409800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010488700000000, 0.0000000000000000 ] - [ -0.0000448000000000, 0.0001166000000000, -0.0000388400000000 ] - [ 0.0000448000000000, 0.0001166000000000, 0.0000388400000000 ] - [ 0.0000000000000000, 0.0003332400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000944600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0128450400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009370500000000, 0.0000000000000000 ] - [ -0.0065209300000000, 0.0002431600000000, -0.0008148700000000 ] - [ 0.0065209300000000, 0.0002431600000000, 0.0008148700000000 ] - [ 0.0000937400000000, -0.0001661700000000, -0.0003044400000000 ] - [ 0.0000186700000000, -0.0000612800000000, -0.0001306600000000 ] - [ 0.0000814300000000, 0.0001423500000000, -0.0001805900000000 ] - [ -0.0000101800000000, 0.0001201000000000, -0.0001773600000000 ] - [ -0.0000185400000000, 0.0009828400000000, -0.0000456100000000 ] - [ -0.0000044100000000, 0.0008526400000000, -0.0000344400000000 ] - [ 0.0000185400000000, 0.0009828400000000, 0.0000456100000000 ] - [ 0.0000044100000000, 0.0008526400000000, 0.0000344400000000 ] - [ 0.0074964500000000, 0.0130047900000000, -0.0108254000000000 ] - [ 0.0012411500000000, -0.0002140400000000, 0.0005330500000000 ] - [ -0.0000814300000000, 0.0001423500000000, 0.0001805900000000 ] - [ 0.0000101800000000, 0.0001201000000000, 0.0001773600000000 ] - [ 0.0003726200000000, -0.0001660300000000, -0.0004613300000000 ] - [ -0.0000688200000000, 0.0000764100000000, -0.0002265800000000 ] - [ -0.0074964500000000, 0.0130047900000000, 0.0108254000000000 ] - [ -0.0012411500000000, -0.0002140400000000, -0.0005330500000000 ] - [ -0.0000464100000000, 0.0002726000000000, -0.0000278100000000 ] - [ -0.0000004800000000, 0.0000703000000000, 0.0000037800000000 ] - [ 0.0000464100000000, 0.0002726000000000, 0.0000278100000000 ] - [ 0.0000004800000000, 0.0000703000000000, -0.0000037800000000 ] - [ -0.0003726200000000, -0.0001660300000000, 0.0004613300000000 ] - [ 0.0000688200000000, 0.0000764100000000, 0.0002265800000000 ] - [ -0.0000937400000000, -0.0001661700000000, 0.0003044400000000 ] - [ -0.0000186700000000, -0.0000612800000000, 0.0001306600000000 ] - [ -0.0001068800000000, 0.0001143700000000, 0.0001395000000000 ] - [ -0.0000049600000000, 0.0001195000000000, 0.0001726100000000 ] - [ -0.0000380200000000, -0.0001896500000000, 0.0002030300000000 ] - [ -0.0000396500000000, -0.0000562400000000, 0.0000330400000000 ] - [ -0.0000217200000000, -0.0028944100000000, -0.0000178100000000 ] - [ -0.0000153400000000, -0.0008573200000000, -0.0000226700000000 ] - [ 0.0000217200000000, -0.0028944100000000, 0.0000178100000000 ] - [ 0.0000153400000000, -0.0008573200000000, 0.0000226700000000 ] - [ -0.0003728800000000, -0.0001843700000000, 0.0004511500000000 ] - [ 0.0000748900000000, 0.0000856700000000, 0.0002131700000000 ] - [ 0.0000380200000000, -0.0001896500000000, -0.0002030300000000 ] - [ 0.0000396500000000, -0.0000562400000000, -0.0000330400000000 ] - [ -0.0076632700000000, 0.0132394100000000, 0.0110761200000000 ] - [ -0.0012310900000000, -0.0002039300000000, -0.0005679000000000 ] - [ 0.0003728800000000, -0.0001843700000000, -0.0004511500000000 ] - [ -0.0000748900000000, 0.0000856700000000, -0.0002131700000000 ] - [ 0.0000182400000000, -0.0000793800000000, 0.0000050400000000 ] - [ 0.0000193500000000, -0.0000713600000000, -0.0000023000000000 ] - [ -0.0000182400000000, -0.0000793800000000, -0.0000050400000000 ] - [ -0.0000193500000000, -0.0000713600000000, 0.0000023000000000 ] - [ 0.0076632700000000, 0.0132394100000000, -0.0110761200000000 ] - [ 0.0012310900000000, -0.0002039300000000, 0.0005679000000000 ] - [ 0.0001068800000000, 0.0001143700000000, -0.0001395000000000 ] - [ 0.0000049600000000, 0.0001195000000000, -0.0001726100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0784926500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004625200000000, 0.0000000000000000 ] - [ -0.0002305800000000, -0.0002350400000000, 0.0002157700000000 ] - [ -0.0000204300000000, -0.0001394900000000, 0.0002003200000000 ] - [ -0.0000117800000000, -0.0000208600000000, -0.0000251300000000 ] - [ 0.0000117800000000, -0.0000208600000000, 0.0000251300000000 ] - [ 0.0002305800000000, -0.0002350400000000, -0.0002157700000000 ] - [ 0.0000204300000000, -0.0001394900000000, -0.0002003200000000 ] - [ 0.0001714800000000, 0.0011253400000000, -0.0000817500000000 ] - [ 0.0001126500000000, 0.0002839100000000, -0.0000178200000000 ] - [ 0.0008749500000000, -0.0004708400000000, 0.0025048900000000 ] - [ 0.0000255300000000, 0.0000827800000000, 0.0001493300000000 ] - [ -0.0001714800000000, 0.0011253400000000, 0.0000817500000000 ] - [ -0.0001126500000000, 0.0002839100000000, 0.0000178200000000 ] - [ -0.0008749500000000, -0.0004708400000000, -0.0025048900000000 ] - [ -0.0000255300000000, 0.0000827800000000, -0.0001493300000000 ] - [ -0.0000018500000000, -0.0005144000000000, 0.0000026400000000 ] - [ 0.0000018500000000, -0.0005144000000000, -0.0000026400000000 ] - [ -0.0009784900000000, -0.0004641700000000, -0.0025930500000000 ] - [ -0.0001399900000000, 0.0001190100000000, -0.0001423900000000 ] - [ 0.0000000000000000, 0.0000547500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000454200000000, 0.0000000000000000 ] - [ 0.0009784900000000, -0.0004641700000000, 0.0025930500000000 ] - [ 0.0001399900000000, 0.0001190100000000, 0.0001423900000000 ] - [ 0.0001175100000000, -0.0004530700000000, 0.0000160600000000 ] - [ 0.0001169300000000, -0.0001847700000000, 0.0000054400000000 ] - [ 0.0001166400000000, -0.0002575900000000, -0.0002069500000000 ] - [ -0.0000906000000000, -0.0001467300000000, -0.0001810800000000 ] - [ -0.0001175100000000, -0.0004530700000000, -0.0000160600000000 ] - [ -0.0001169300000000, -0.0001847700000000, -0.0000054400000000 ] - [ -0.0001166400000000, -0.0002575900000000, 0.0002069500000000 ] - [ 0.0000906000000000, -0.0001467300000000, 0.0001810800000000 ] - [ 0.0000000000000000, 0.0001409300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000461300000000, 0.0000000000000000 ] - [ -0.0000367700000000, 0.0002133900000000, -0.0000026300000000 ] - [ 0.0000367700000000, 0.0002133900000000, 0.0000026300000000 ] - [ -0.0065531700000000, -0.0002291400000000, -0.0007871100000000 ] - [ 0.0065531700000000, -0.0002291400000000, 0.0007871100000000 ] - [ 0.0000000000000000, -0.0130713700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009105300000000, 0.0000000000000000 ] - [ 0.0000458800000000, -0.0000581500000000, 0.0000379500000000 ] - [ -0.0000458800000000, -0.0000581500000000, -0.0000379500000000 ] - [ 0.0000000000000000, -0.0004733300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002354400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0127371900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009944100000000, 0.0000000000000000 ] - [ 0.0064940500000000, -0.0001202100000000, 0.0008220300000000 ] - [ -0.0064940500000000, -0.0001202100000000, -0.0008220300000000 ] - [ -0.0001159300000000, 0.0002029200000000, 0.0002405300000000 ] - [ -0.0000383900000000, 0.0001016200000000, 0.0000645900000000 ] - [ -0.0000716300000000, -0.0001095400000000, 0.0001224300000000 ] - [ 0.0000158900000000, -0.0000890600000000, 0.0001186900000000 ] - [ -0.0000984100000000, -0.0010205800000000, -0.0000903400000000 ] - [ -0.0000148200000000, -0.0008900100000000, -0.0000361300000000 ] - [ 0.0000984100000000, -0.0010205800000000, 0.0000903400000000 ] - [ 0.0000148200000000, -0.0008900100000000, 0.0000361300000000 ] - [ -0.0078873600000000, -0.0135848500000000, 0.0111956000000000 ] - [ -0.0012356000000000, 0.0001837500000000, -0.0005913600000000 ] - [ 0.0000716300000000, -0.0001095400000000, -0.0001224300000000 ] - [ -0.0000158900000000, -0.0000890600000000, -0.0001186900000000 ] - [ -0.0003728200000000, 0.0001384800000000, 0.0004747300000000 ] - [ 0.0000728300000000, -0.0001091900000000, 0.0002389900000000 ] - [ 0.0078873600000000, -0.0135848500000000, -0.0111956000000000 ] - [ 0.0012356000000000, 0.0001837500000000, 0.0005913600000000 ] - [ 0.0000508900000000, -0.0002442000000000, 0.0000335300000000 ] - [ 0.0000085000000000, -0.0000433300000000, 0.0000041000000000 ] - [ -0.0000508900000000, -0.0002442000000000, -0.0000335300000000 ] - [ -0.0000085000000000, -0.0000433300000000, -0.0000041000000000 ] - [ 0.0003728200000000, 0.0001384800000000, -0.0004747300000000 ] - [ -0.0000728300000000, -0.0001091900000000, -0.0002389900000000 ] - [ 0.0001159300000000, 0.0002029200000000, -0.0002405300000000 ] - [ 0.0000383900000000, 0.0001016200000000, -0.0000645900000000 ] - [ 0.0000878100000000, -0.0000749000000000, -0.0002071300000000 ] - [ -0.0000153300000000, -0.0000781200000000, -0.0002377000000000 ] - [ 0.0000422000000000, 0.0002216200000000, -0.0002617000000000 ] - [ 0.0000461400000000, 0.0000877700000000, -0.0000920900000000 ] - [ -0.0000017900000000, 0.0028564700000000, -0.0000429700000000 ] - [ -0.0000068200000000, 0.0008187900000000, -0.0000412000000000 ] - [ 0.0000017900000000, 0.0028564700000000, 0.0000429700000000 ] - [ 0.0000068200000000, 0.0008187900000000, 0.0000412000000000 ] - [ 0.0003763600000000, 0.0001515200000000, -0.0005031400000000 ] - [ -0.0000695200000000, -0.0001136000000000, -0.0002688200000000 ] - [ -0.0000422000000000, 0.0002216200000000, 0.0002617000000000 ] - [ -0.0000461400000000, 0.0000877700000000, 0.0000920900000000 ] - [ 0.0072782200000000, -0.0127277900000000, -0.0106441700000000 ] - [ 0.0012341000000000, 0.0001748800000000, 0.0005749400000000 ] - [ -0.0003763600000000, 0.0001515200000000, 0.0005031400000000 ] - [ 0.0000695200000000, -0.0001136000000000, 0.0002688200000000 ] - [ -0.0000106100000000, 0.0001071600000000, 0.0000026800000000 ] - [ -0.0000115300000000, 0.0001001600000000, 0.0000132800000000 ] - [ 0.0000106100000000, 0.0001071600000000, -0.0000026800000000 ] - [ 0.0000115300000000, 0.0001001600000000, -0.0000132800000000 ] - [ -0.0072782200000000, -0.0127277900000000, 0.0106441700000000 ] - [ -0.0012341000000000, 0.0001748800000000, -0.0005749400000000 ] - [ -0.0000878100000000, -0.0000749000000000, 0.0002071300000000 ] - [ 0.0000153300000000, -0.0000781200000000, 0.0002377000000000 ]- atom: 1 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ 0.0140358100000000, -0.0000129800000000, -0.0560482700000000 ] - [ -0.0001911900000000, -0.0000179900000000, 0.0000998300000000 ] - [ -0.0002268000000000, -0.0003404700000000, 0.0000192200000000 ] - [ -0.0000270400000000, 0.0000453800000000, -0.0000229700000000 ] - [ -0.0000003700000000, 0.0000396300000000, 0.0000340100000000 ] - [ 0.0000007300000000, -0.0000052800000000, 0.0000346000000000 ] - [ 0.0000077500000000, 0.0003785400000000, 0.0000137700000000 ] - [ 0.0002047000000000, -0.0000034400000000, -0.0000295400000000 ] - [ -0.0035101800000000, 0.0000552300000000, 0.0041316100000000 ] - [ 0.0004031300000000, -0.0000189600000000, -0.0000547100000000 ] - [ 0.0017967200000000, -0.0028041900000000, 0.0031487000000000 ] - [ -0.0001743200000000, -0.0000650300000000, 0.0000025500000000 ] - [ -0.0036807200000000, -0.0000946300000000, 0.0040879900000000 ] - [ 0.0001693900000000, -0.0000230900000000, -0.0000395600000000 ] - [ 0.0017687900000000, 0.0027637100000000, 0.0031235200000000 ] - [ -0.0001731500000000, 0.0000638600000000, 0.0000062800000000 ] - [ 0.0000334600000000, -0.0000155200000000, 0.0000618900000000 ] - [ 0.0000320800000000, -0.0000204200000000, 0.0000611400000000 ] - [ 0.0016586100000000, 0.0028806400000000, 0.0033092700000000 ] - [ -0.0002858400000000, 0.0000874800000000, 0.0000143500000000 ] - [ -0.0001010900000000, 0.0000193100000000, 0.0003566400000000 ] - [ 0.0000543500000000, 0.0000181000000000, -0.0000281600000000 ] - [ 0.0018635700000000, -0.0027965500000000, 0.0032700800000000 ] - [ -0.0000527100000000, -0.0000440400000000, 0.0000069700000000 ] - [ 0.0000377700000000, -0.0000186900000000, -0.0000307400000000 ] - [ 0.0001546300000000, -0.0000286300000000, -0.0000371600000000 ] - [ -0.0001396400000000, 0.0003940400000000, 0.0000123800000000 ] - [ 0.0000953300000000, -0.0000278000000000, -0.0000281200000000 ] - [ -0.0001948900000000, -0.0000240100000000, -0.0000163400000000 ] - [ -0.0000783900000000, -0.0000135900000000, -0.0000241500000000 ] - [ -0.0001373200000000, -0.0003907300000000, 0.0000163300000000 ] - [ 0.0000947800000000, 0.0000269600000000, -0.0000250900000000 ] - [ -0.0005365200000000, 0.0000195900000000, 0.0006219200000000 ] - [ 0.0002659900000000, 0.0000269800000000, -0.0000589800000000 ] - [ 0.0004611100000000, 0.0000059500000000, 0.0003735400000000 ] - [ 0.0004730300000000, -0.0001469400000000, 0.0003758100000000 ] - [ -0.0022927800000000, 0.0002590200000000, -0.0029184700000000 ] - [ -0.0023238200000000, -0.0003063600000000, -0.0029120200000000 ] - [ 0.0021353100000000, 0.0000866700000000, -0.0029295700000000 ] - [ -0.0000105600000000, 0.0000696900000000, 0.0003867800000000 ] - [ -0.0000184200000000, 0.0000484700000000, 0.0001218200000000 ] - [ -0.0000180500000000, 0.0000137200000000, 0.0001227100000000 ] - [ -0.0002089900000000, -0.0000723000000000, 0.0000323700000000 ] - [ 0.0000542500000000, -0.0000706400000000, -0.0000091900000000 ] - [ 0.0021469600000000, -0.0000447400000000, -0.0029851700000000 ] - [ -0.0000143500000000, -0.0000291500000000, 0.0003875500000000 ] - [ -0.0022802200000000, -0.0002237800000000, -0.0029406400000000 ] - [ -0.0023098300000000, 0.0003549000000000, -0.0029339000000000 ] - [ 0.0002037600000000, 0.0000608600000000, -0.0003639000000000 ] - [ -0.0000459900000000, 0.0000044500000000, 0.0000415000000000 ] - [ 0.0001160700000000, -0.0000033900000000, -0.0003616900000000 ] - [ -0.0002100200000000, 0.0000251300000000, -0.0002260000000000 ] - [ 0.0061121000000000, -0.0000064700000000, 0.0056956400000000 ] - [ 0.0003639000000000, -0.0000250500000000, 0.0004331300000000 ] - [ 0.0060453600000000, -0.0000309300000000, 0.0057849200000000 ] - [ 0.0003793600000000, -0.0000126200000000, 0.0004923700000000 ] - [ -0.0055865900000000, -0.0096356000000000, 0.0089805600000000 ] - [ 0.0010598900000000, -0.0000462100000000, 0.0006063800000000 ] - [ 0.0001090600000000, 0.0000373000000000, -0.0003053700000000 ] - [ -0.0002178400000000, 0.0000068100000000, -0.0001663300000000 ] - [ -0.0001965200000000, 0.0000994300000000, 0.0003450600000000 ] - [ -0.0002733100000000, -0.0005739500000000, 0.0004574300000000 ] - [ -0.0054091700000000, 0.0092570600000000, 0.0089261700000000 ] - [ 0.0010518300000000, 0.0000147700000000, 0.0006617200000000 ] - [ -0.0002197900000000, -0.0003987800000000, -0.0016202600000000 ] - [ -0.0002882400000000, 0.0000637700000000, -0.0000876700000000 ] - [ -0.0002304700000000, 0.0004339000000000, -0.0016537400000000 ] - [ -0.0002895400000000, -0.0000362700000000, -0.0000914000000000 ] - [ -0.0002008800000000, -0.0001248300000000, 0.0003336100000000 ] - [ -0.0002779700000000, 0.0005446200000000, 0.0004444700000000 ] - [ 0.0002237400000000, -0.0000161500000000, -0.0002968200000000 ] - [ -0.0000269000000000, 0.0000376400000000, 0.0001105900000000 ] - [ 0.0001758800000000, 0.0001074700000000, -0.0002964900000000 ] - [ -0.0001024800000000, 0.0000176200000000, -0.0002504900000000 ] - [ 0.0000379900000000, 0.0002286700000000, -0.0002002000000000 ] - [ -0.0000443200000000, -0.0000053300000000, -0.0000230600000000 ] - [ -0.0011000200000000, -0.0000405500000000, 0.0013971500000000 ] - [ 0.0000671600000000, -0.0000125100000000, -0.0002825300000000 ] - [ -0.0010836500000000, 0.0000021300000000, 0.0014631500000000 ] - [ 0.0000887900000000, -0.0000265700000000, -0.0002212900000000 ] - [ -0.0002035900000000, -0.0001418800000000, 0.0003144800000000 ] - [ -0.0002690600000000, 0.0005436400000000, 0.0004192200000000 ] - [ 0.0000325700000000, -0.0001977900000000, -0.0001401700000000 ] - [ -0.0000501100000000, 0.0000363400000000, 0.0000376500000000 ] - [ -0.0053706600000000, 0.0092468300000000, 0.0089704900000000 ] - [ 0.0010498700000000, 0.0000092500000000, 0.0006501700000000 ] - [ -0.0002109200000000, 0.0001067600000000, 0.0003690900000000 ] - [ -0.0002754300000000, -0.0005751200000000, 0.0004736800000000 ] - [ 0.0000649900000000, -0.0000089500000000, 0.0000126600000000 ] - [ 0.0000151800000000, -0.0000320600000000, -0.0000347900000000 ] - [ 0.0000573300000000, 0.0000360000000000, 0.0000074400000000 ] - [ 0.0000064400000000, 0.0000595100000000, -0.0000431600000000 ] - [ -0.0051961700000000, -0.0089375900000000, 0.0088499600000000 ] - [ 0.0010442700000000, -0.0000377000000000, 0.0006398700000000 ] - [ 0.0001975900000000, -0.0000719900000000, -0.0002301300000000 ] - [ -0.0000845000000000, 0.0000204100000000, -0.0001839400000000 ]- atom: 3 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ -0.0001780500000000, 0.0000966300000000, -0.0001425500000000 ] - [ 0.0001686900000000, -0.0001123500000000, 0.0001196900000000 ] - [ -0.0417751500000000, -0.0059742000000000, -0.0055471900000000 ] - [ 0.0004868600000000, 0.0000057100000000, 0.0000348300000000 ] - [ 0.0009090900000000, -0.0000309200000000, -0.0034731900000000 ] - [ 0.0003470400000000, 0.0000200100000000, 0.0003533100000000 ] - [ 0.0004080100000000, 0.0000352800000000, -0.0000028800000000 ] - [ 0.0000564400000000, 0.0000056700000000, 0.0000119200000000 ] - [ -0.0010784400000000, 0.0003043400000000, -0.0000088900000000 ] - [ 0.0003178100000000, -0.0000678500000000, 0.0000009300000000 ] - [ 0.0038717000000000, 0.0028792700000000, 0.0000214600000000 ] - [ 0.0043411400000000, -0.0035827900000000, 0.0000534900000000 ] - [ -0.0000035500000000, -0.0000256000000000, -0.0000446600000000 ] - [ -0.0000022300000000, 0.0000051400000000, 0.0000361900000000 ] - [ -0.0003158500000000, 0.0000929500000000, -0.0000118300000000 ] - [ 0.0000814500000000, -0.0001253700000000, 0.0000334200000000 ] - [ -0.0007387000000000, 0.0008509100000000, 0.0016640800000000 ] - [ 0.0003976600000000, 0.0000071000000000, -0.0001027000000000 ] - [ -0.0000262800000000, -0.0000199900000000, 0.0000010200000000 ] - [ -0.0000259300000000, 0.0000340100000000, -0.0000021700000000 ] - [ -0.0000795200000000, 0.0000162100000000, -0.0000944900000000 ] - [ 0.0001222700000000, 0.0000167500000000, 0.0000597200000000 ] - [ -0.0002223400000000, -0.0000934500000000, 0.0000499400000000 ] - [ 0.0002536200000000, 0.0000680300000000, -0.0000237200000000 ] - [ 0.0042865300000000, -0.0026890700000000, 0.0001523000000000 ] - [ 0.0053869200000000, 0.0040020600000000, -0.0000371900000000 ] - [ -0.0015172700000000, -0.0001265100000000, -0.0000081900000000 ] - [ 0.0002673200000000, 0.0000528900000000, 0.0000147200000000 ] - [ -0.0003950300000000, -0.0000065200000000, -0.0001131500000000 ] - [ -0.0000262700000000, 0.0000656000000000, 0.0001038000000000 ] - [ 0.0002080600000000, 0.0000052100000000, -0.0000401800000000 ] - [ -0.0000317400000000, -0.0000207200000000, -0.0000254100000000 ] - [ -0.0028998700000000, 0.0032564700000000, 0.0019586400000000 ] - [ 0.0005568000000000, -0.0006665800000000, -0.0002617900000000 ] - [ 0.0000592300000000, -0.0005484900000000, -0.0006992300000000 ] - [ 0.0005878000000000, -0.0001718100000000, 0.0002644200000000 ] - [ -0.0039805500000000, -0.0031040200000000, 0.0024810400000000 ] - [ 0.0012455000000000, 0.0000047300000000, -0.0002048600000000 ] - [ 0.0021421100000000, 0.0006890600000000, -0.0045182100000000 ] - [ 0.0026542200000000, -0.0003212200000000, 0.0010063300000000 ] - [ -0.0000098900000000, 0.0005663800000000, -0.0007747400000000 ] - [ 0.0006369900000000, 0.0001480100000000, 0.0003003400000000 ] - [ -0.0030908000000000, -0.0033166600000000, 0.0020967300000000 ] - [ 0.0005704900000000, 0.0005882000000000, -0.0002560100000000 ] - [ 0.0008039300000000, -0.0016375700000000, -0.0002411500000000 ] - [ 0.0005202400000000, 0.0003991500000000, 0.0002355500000000 ] - [ -0.0007135200000000, -0.0004169500000000, -0.0000168200000000 ] - [ 0.0006453000000000, 0.0001848500000000, 0.0001436100000000 ] - [ 0.0001757200000000, 0.0000005400000000, 0.0000485100000000 ] - [ -0.0000752900000000, 0.0000373400000000, -0.0000605000000000 ] - [ 0.0005639200000000, -0.0000212200000000, 0.0002817900000000 ] - [ -0.0001168200000000, 0.0000421900000000, -0.0000235000000000 ] - [ -0.0003276000000000, 0.0000527500000000, 0.0003295800000000 ] - [ 0.0003444200000000, 0.0004016300000000, -0.0006710000000000 ] - [ 0.0008262900000000, 0.0011200400000000, -0.0007408700000000 ] - [ -0.0002296100000000, -0.0001632900000000, 0.0002140700000000 ] - [ 0.0043459000000000, 0.0052239200000000, -0.0034970900000000 ] - [ -0.0007733500000000, 0.0001917200000000, -0.0003788200000000 ] - [ 0.0024481300000000, -0.0000529000000000, 0.0006342200000000 ] - [ -0.0004762200000000, 0.0000198100000000, -0.0001715300000000 ] - [ -0.0005125300000000, -0.0004411200000000, 0.0010152700000000 ] - [ 0.0047287000000000, 0.0014306100000000, 0.0004769200000000 ] - [ -0.0007633500000000, -0.0005928500000000, 0.0002607600000000 ] - [ 0.0009623900000000, 0.0002377700000000, 0.0003724500000000 ] - [ 0.0011203800000000, -0.0010095500000000, -0.0004729800000000 ] - [ -0.0004774100000000, 0.0003647300000000, 0.0000583900000000 ] - [ -0.0002458200000000, -0.0001797700000000, -0.0005547900000000 ] - [ 0.0001779700000000, 0.0001830600000000, 0.0003933600000000 ] - [ 0.0006754200000000, -0.0002852900000000, 0.0000011600000000 ] - [ -0.0018433000000000, 0.0003609600000000, -0.0007203100000000 ] - [ 0.0128564800000000, 0.0003816000000000, 0.0071029300000000 ] - [ -0.0013678400000000, 0.0000523600000000, 0.0012415700000000 ] - [ -0.0001238700000000, 0.0000133900000000, 0.0000098400000000 ] - [ -0.0005427800000000, 0.0000250900000000, 0.0006274700000000 ] - [ 0.0011257900000000, 0.0010308500000000, -0.0004412600000000 ] - [ -0.0004898700000000, -0.0003357900000000, -0.0000151300000000 ] - [ 0.0012974000000000, -0.0010087100000000, 0.0002379600000000 ] - [ -0.0002697500000000, -0.0000672700000000, -0.0003381300000000 ] - [ -0.0001948400000000, 0.0004341200000000, 0.0002644600000000 ] - [ -0.0000528700000000, -0.0001645000000000, 0.0000059100000000 ] - [ -0.0001652400000000, 0.0001818200000000, 0.0001210300000000 ] - [ -0.0001793600000000, -0.0005976000000000, -0.0005110000000000 ] - [ -0.0002685600000000, 0.0002278100000000, -0.0006015600000000 ] - [ 0.0001779600000000, -0.0001721200000000, 0.0004686900000000 ] - [ 0.0004640600000000, 0.0001814700000000, 0.0000268100000000 ] - [ -0.0004659700000000, -0.0001677800000000, -0.0001262600000000 ] - [ 0.0004563600000000, 0.0002328200000000, 0.0000179700000000 ] - [ -0.0004157500000000, -0.0001594000000000, -0.0000653100000000 ] - [ 0.0006184400000000, 0.0000531100000000, 0.0003269300000000 ] - [ -0.0001013500000000, -0.0000236100000000, 0.0000422900000000 ] - [ 0.0029741200000000, 0.0009363900000000, 0.0000445300000000 ] - [ -0.0004938200000000, 0.0000096900000000, -0.0002296500000000 ] - [ -0.0008071500000000, 0.0007282000000000, 0.0003110300000000 ] - [ 0.0001620600000000, -0.0000874900000000, 0.0000543100000000 ] - [ 0.0000970200000000, 0.0000126700000000, 0.0001328600000000 ] - [ -0.0000408200000000, 0.0000198400000000, -0.0000496500000000 ]- atom: 3 displacement: [ -0.0099999959968920, 0.0000000000000000, -0.0000089477451717 ] forces: - [ 0.0001774200000000, -0.0001302500000000, 0.0001416000000000 ] - [ -0.0001690200000000, 0.0000764800000000, -0.0001204200000000 ] - [ 0.0414142500000000, 0.0059570600000000, 0.0054421500000000 ] - [ -0.0007212700000000, 0.0000352600000000, -0.0000292500000000 ] - [ -0.0009017900000000, 0.0000665800000000, 0.0035022400000000 ] - [ -0.0003468500000000, 0.0000156300000000, -0.0003499500000000 ] - [ -0.0001743800000000, 0.0000069900000000, -0.0000120900000000 ] - [ 0.0001762700000000, 0.0000363800000000, -0.0000255300000000 ] - [ 0.0013098400000000, -0.0003613900000000, 0.0000031200000000 ] - [ -0.0000849800000000, 0.0000286300000000, -0.0000082900000000 ] - [ -0.0038240300000000, -0.0028317000000000, -0.0000195800000000 ] - [ -0.0043922900000000, 0.0036402500000000, -0.0000565800000000 ] - [ -0.0002305300000000, -0.0000158000000000, 0.0000582500000000 ] - [ -0.0002290100000000, -0.0000466500000000, -0.0000224200000000 ] - [ 0.0003158900000000, -0.0000917200000000, 0.0000119200000000 ] - [ -0.0000811700000000, 0.0001244600000000, -0.0000338000000000 ] - [ 0.0007516000000000, -0.0008796900000000, -0.0016558700000000 ] - [ -0.0003974000000000, -0.0000441400000000, 0.0001011300000000 ] - [ -0.0002070800000000, 0.0000593900000000, 0.0000049200000000 ] - [ -0.0002064700000000, 0.0000067800000000, 0.0000104100000000 ] - [ 0.0000775200000000, 0.0000194700000000, 0.0000934600000000 ] - [ -0.0001212100000000, 0.0000183600000000, -0.0000598700000000 ] - [ 0.0004543300000000, 0.0001359000000000, -0.0000649700000000 ] - [ -0.0000202900000000, -0.0000250500000000, 0.0000097700000000 ] - [ -0.0039997800000000, 0.0026038600000000, -0.0001558800000000 ] - [ -0.0052149700000000, -0.0041078500000000, 0.0000277200000000 ] - [ 0.0015150000000000, 0.0001479900000000, 0.0000086500000000 ] - [ -0.0002674600000000, -0.0000555000000000, -0.0000153500000000 ] - [ 0.0001621400000000, -0.0000369300000000, 0.0001261700000000 ] - [ -0.0002072800000000, -0.0001074200000000, -0.0000905600000000 ] - [ -0.0002083100000000, -0.0000055700000000, 0.0000402300000000 ] - [ 0.0000327000000000, 0.0000192000000000, 0.0000240600000000 ] - [ 0.0028901700000000, -0.0032101800000000, -0.0019663600000000 ] - [ -0.0005562900000000, 0.0007321900000000, 0.0002666800000000 ] - [ -0.0000496200000000, 0.0004038300000000, 0.0006987800000000 ] - [ -0.0005905700000000, 0.0000274800000000, -0.0002630900000000 ] - [ 0.0040079400000000, 0.0030486600000000, -0.0024706300000000 ] - [ -0.0012424400000000, -0.0000595300000000, 0.0001983200000000 ] - [ -0.0021542100000000, -0.0005411800000000, 0.0044815200000000 ] - [ -0.0026350600000000, 0.0004715000000000, -0.0010114700000000 ] - [ 0.0000208300000000, -0.0005047300000000, 0.0007742100000000 ] - [ -0.0006395900000000, -0.0000861000000000, -0.0002994000000000 ] - [ 0.0030782600000000, 0.0031869400000000, -0.0021043200000000 ] - [ -0.0005705800000000, -0.0007365000000000, 0.0002616400000000 ] - [ -0.0008044000000000, 0.0015904500000000, 0.0002432900000000 ] - [ -0.0005196800000000, -0.0004594900000000, -0.0002374600000000 ] - [ 0.0007146700000000, 0.0005603600000000, 0.0000167500000000 ] - [ -0.0006465500000000, -0.0000412400000000, -0.0001455400000000 ] - [ -0.0001969300000000, 0.0000365900000000, -0.0001145700000000 ] - [ 0.0000552100000000, 0.0000034700000000, -0.0000051100000000 ] - [ -0.0005522300000000, 0.0000558600000000, -0.0003349800000000 ] - [ 0.0001216200000000, -0.0000130100000000, -0.0000354900000000 ] - [ 0.0003038000000000, -0.0000890500000000, -0.0003898500000000 ] - [ -0.0003687600000000, -0.0004428900000000, 0.0006081400000000 ] - [ -0.0008098500000000, -0.0011640700000000, 0.0008116500000000 ] - [ 0.0002500300000000, 0.0001235000000000, -0.0001482800000000 ] - [ -0.0043427600000000, -0.0051763000000000, 0.0033429700000000 ] - [ 0.0007835700000000, -0.0002221700000000, 0.0003233700000000 ] - [ -0.0024780300000000, 0.0001141900000000, -0.0005500800000000 ] - [ 0.0004686100000000, 0.0000100000000000, 0.0002269800000000 ] - [ 0.0005120100000000, 0.0004064400000000, -0.0009882300000000 ] - [ -0.0050346000000000, -0.0014514600000000, -0.0007209800000000 ] - [ 0.0007574000000000, 0.0005644300000000, -0.0002053700000000 ] - [ -0.0009731900000000, -0.0002704700000000, -0.0003162500000000 ] - [ -0.0011146800000000, 0.0010372600000000, 0.0004778100000000 ] - [ 0.0004878000000000, -0.0003402300000000, -0.0000546400000000 ] - [ 0.0002421000000000, 0.0002095000000000, 0.0005400800000000 ] - [ -0.0001854300000000, -0.0001580200000000, -0.0004055200000000 ] - [ -0.0006784800000000, 0.0002568400000000, -0.0000070900000000 ] - [ 0.0018244200000000, -0.0003914600000000, 0.0007055800000000 ] - [ -0.0124210600000000, -0.0003289400000000, -0.0065617000000000 ] - [ 0.0014077100000000, -0.0000127000000000, -0.0011943300000000 ] - [ 0.0001016800000000, 0.0000258000000000, -0.0000736100000000 ] - [ 0.0005129800000000, 0.0000135000000000, -0.0006835600000000 ] - [ -0.0011189100000000, -0.0009954000000000, 0.0003789500000000 ] - [ 0.0004983600000000, 0.0003700300000000, -0.0000462600000000 ] - [ -0.0012820100000000, 0.0009114800000000, -0.0003558700000000 ] - [ 0.0002494200000000, 0.0000286900000000, 0.0002808000000000 ] - [ 0.0002169300000000, -0.0004762500000000, -0.0002004000000000 ] - [ 0.0000762900000000, 0.0001264500000000, 0.0000565600000000 ] - [ 0.0001745100000000, -0.0002120600000000, -0.0001768500000000 ] - [ 0.0001848500000000, 0.0005708100000000, 0.0004546800000000 ] - [ 0.0002639500000000, -0.0001953200000000, 0.0006578800000000 ] - [ -0.0001861700000000, 0.0002057300000000, -0.0004147700000000 ] - [ -0.0004577500000000, -0.0002111200000000, -0.0000178600000000 ] - [ 0.0004727900000000, 0.0001375100000000, 0.0001383300000000 ] - [ -0.0004637200000000, -0.0002648000000000, 0.0000394300000000 ] - [ 0.0004076100000000, 0.0001265300000000, 0.0001222300000000 ] - [ -0.0006078000000000, -0.0000277100000000, -0.0003179500000000 ] - [ 0.0001085000000000, 0.0000556300000000, -0.0000338600000000 ] - [ -0.0029969700000000, -0.0009472400000000, -0.0000173100000000 ] - [ 0.0004847600000000, 0.0000203900000000, 0.0002143300000000 ] - [ 0.0008034200000000, -0.0007665000000000, -0.0003250400000000 ] - [ -0.0001702900000000, 0.0000591700000000, -0.0000615100000000 ] - [ -0.0000774100000000, 0.0000255900000000, -0.0000646700000000 ] - [ 0.0000624200000000, 0.0000202800000000, 0.0001139200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002484600000000, 0.0002387800000000, -0.0003219300000000 ] - [ -0.0001747800000000, 0.0001425900000000, -0.0000058900000000 ] - [ -0.0060989800000000, -0.0346182400000000, 0.0095036900000000 ] - [ -0.0001308200000000, -0.0001110300000000, 0.0000128600000000 ] - [ -0.0000347700000000, -0.0011292500000000, 0.0000578300000000 ] - [ 0.0000028600000000, -0.0002886300000000, 0.0000014900000000 ] - [ 0.0001009200000000, -0.0001540500000000, -0.0000187300000000 ] - [ 0.0001306400000000, -0.0001935000000000, -0.0000952200000000 ] - [ 0.0004518200000000, 0.0056434600000000, -0.0001197300000000 ] - [ 0.0000670900000000, 0.0000812200000000, -0.0000760000000000 ] - [ 0.0028492800000000, 0.0005188900000000, -0.0000466300000000 ] - [ -0.0034465800000000, 0.0007388100000000, -0.0000217600000000 ] - [ -0.0001419600000000, 0.0001405100000000, 0.0002738400000000 ] - [ -0.0001091400000000, 0.0001398900000000, -0.0000517500000000 ] - [ 0.0001044000000000, -0.0000386800000000, 0.0000751700000000 ] - [ -0.0000376400000000, -0.0000186700000000, 0.0000246400000000 ] - [ 0.0008811700000000, 0.0004680800000000, 0.0030293700000000 ] - [ -0.0000504300000000, -0.0001152100000000, 0.0000587500000000 ] - [ -0.0001001700000000, 0.0004616800000000, -0.0000504900000000 ] - [ -0.0001567200000000, 0.0004625800000000, -0.0000015100000000 ] - [ 0.0000092600000000, 0.0004493000000000, 0.0000050900000000 ] - [ -0.0000145400000000, 0.0001809400000000, -0.0000109200000000 ] - [ 0.0002291800000000, 0.0001868900000000, 0.0000768000000000 ] - [ 0.0000687300000000, 0.0001463700000000, 0.0000270900000000 ] - [ -0.0025243100000000, 0.0001894500000000, -0.0000309500000000 ] - [ 0.0041596600000000, 0.0005997400000000, 0.0000133700000000 ] - [ -0.0002358400000000, 0.0065664000000000, -0.0000710500000000 ] - [ -0.0000084800000000, 0.0000289100000000, 0.0000043100000000 ] - [ -0.0001304100000000, -0.0001409500000000, -0.0000872000000000 ] - [ -0.0002012400000000, -0.0001387300000000, -0.0000890500000000 ] - [ -0.0000045500000000, 0.0000059900000000, -0.0000845300000000 ] - [ 0.0000044100000000, 0.0000608300000000, 0.0000050800000000 ] - [ 0.0033455400000000, 0.0000925100000000, 0.0040235700000000 ] - [ -0.0001554300000000, -0.0003559600000000, 0.0000071000000000 ] - [ -0.0011967300000000, 0.0028885200000000, 0.0007626500000000 ] - [ 0.0006567900000000, 0.0004902800000000, -0.0000064000000000 ] - [ -0.0026745600000000, 0.0007343300000000, -0.0039674200000000 ] - [ -0.0002957100000000, 0.0001143700000000, -0.0001710100000000 ] - [ 0.0002857700000000, -0.0049337800000000, 0.0002767800000000 ] - [ -0.0005441600000000, -0.0000505100000000, 0.0003150200000000 ] - [ 0.0011533800000000, 0.0028324600000000, -0.0008564900000000 ] - [ -0.0007505500000000, 0.0005151600000000, 0.0000088300000000 ] - [ -0.0035125000000000, -0.0003000900000000, -0.0041225400000000 ] - [ 0.0001251200000000, -0.0005211100000000, -0.0000433700000000 ] - [ -0.0008506600000000, 0.0016657600000000, 0.0009090900000000 ] - [ 0.0004115200000000, -0.0002432300000000, 0.0002867100000000 ] - [ 0.0001001700000000, 0.0014158600000000, 0.0001170200000000 ] - [ -0.0003759800000000, 0.0003956900000000, -0.0002040900000000 ] - [ -0.0000309400000000, 0.0007593100000000, -0.0000187300000000 ] - [ -0.0000162200000000, 0.0004114200000000, 0.0000155700000000 ] - [ -0.0012223600000000, -0.0001823900000000, -0.0005634300000000 ] - [ 0.0000176200000000, -0.0000254400000000, -0.0000117700000000 ] - [ -0.0001723900000000, -0.0002940400000000, 0.0001508800000000 ] - [ -0.0000674400000000, -0.0007275600000000, 0.0009496800000000 ] - [ 0.0001816500000000, -0.0004860500000000, -0.0001014300000000 ] - [ 0.0001562300000000, -0.0002369900000000, -0.0000600200000000 ] - [ 0.0053220900000000, 0.0095480400000000, -0.0060929300000000 ] - [ 0.0002990600000000, -0.0000053400000000, 0.0001660600000000 ] - [ -0.0014244900000000, 0.0016875100000000, -0.0007540400000000 ] - [ -0.0000212100000000, -0.0000074900000000, -0.0000084800000000 ] - [ -0.0000478300000000, 0.0002112700000000, -0.0000118800000000 ] - [ -0.0003553400000000, 0.0014709500000000, -0.0003740500000000 ] - [ 0.0006349800000000, 0.0009226400000000, -0.0004964000000000 ] - [ 0.0010406900000000, 0.0002555500000000, 0.0004201200000000 ] - [ -0.0001580300000000, 0.0000543600000000, -0.0000566000000000 ] - [ -0.0002644700000000, 0.0000612600000000, -0.0000357400000000 ] - [ -0.0005395700000000, -0.0001268500000000, -0.0008458300000000 ] - [ 0.0001972800000000, -0.0000224300000000, -0.0001561500000000 ] - [ -0.0002439200000000, 0.0002989400000000, -0.0000376900000000 ] - [ 0.0001847700000000, -0.0001058800000000, -0.0000079700000000 ] - [ 0.0003126300000000, 0.0010395300000000, 0.0000314700000000 ] - [ 0.0000272000000000, 0.0006239600000000, 0.0000109300000000 ] - [ 0.0000205900000000, -0.0002951700000000, -0.0000922000000000 ] - [ 0.0000282600000000, -0.0030060900000000, -0.0000758900000000 ] - [ 0.0001771600000000, 0.0001707400000000, -0.0000771100000000 ] - [ 0.0003425500000000, 0.0000998900000000, 0.0000356600000000 ] - [ 0.0006574200000000, 0.0027510300000000, -0.0010088700000000 ] - [ 0.0000101100000000, 0.0003307800000000, -0.0003531200000000 ] - [ -0.0004346100000000, 0.0012197600000000, 0.0006013500000000 ] - [ -0.0000362900000000, 0.0001570100000000, -0.0000155200000000 ] - [ 0.0001599600000000, -0.0002143400000000, -0.0002158000000000 ] - [ -0.0005895600000000, -0.0010620500000000, -0.0010678500000000 ] - [ 0.0005816100000000, -0.0000918000000000, 0.0009649100000000 ] - [ -0.0002132900000000, -0.0000011300000000, 0.0002210300000000 ] - [ 0.0000130100000000, -0.0004125400000000, -0.0001623000000000 ] - [ 0.0002373200000000, -0.0000338100000000, 0.0001318200000000 ] - [ -0.0003315100000000, -0.0003707500000000, 0.0000479400000000 ] - [ -0.0002402800000000, -0.0000520300000000, -0.0000399700000000 ] - [ 0.0012619500000000, -0.0001486600000000, 0.0005324600000000 ] - [ -0.0000085300000000, 0.0000012400000000, 0.0000499000000000 ] - [ 0.0023261100000000, 0.0032391200000000, -0.0004500500000000 ] - [ 0.0000655000000000, 0.0000387600000000, 0.0000473100000000 ] - [ 0.0007701300000000, -0.0011022700000000, -0.0006379300000000 ] - [ -0.0000207200000000, -0.0000899600000000, -0.0000144800000000 ] - [ -0.0000200100000000, -0.0008983300000000, 0.0000809300000000 ] - [ 0.0000046100000000, -0.0005983100000000, 0.0000647200000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002473800000000, -0.0002739900000000, 0.0003190400000000 ] - [ 0.0001729000000000, -0.0001800300000000, 0.0000054800000000 ] - [ 0.0058455100000000, 0.0346298200000000, -0.0093627700000000 ] - [ -0.0001018800000000, 0.0001531700000000, -0.0000076600000000 ] - [ 0.0000475200000000, 0.0011636000000000, -0.0000788600000000 ] - [ -0.0000023300000000, 0.0003238400000000, -0.0000028100000000 ] - [ 0.0001304000000000, 0.0001978000000000, 0.0000061500000000 ] - [ 0.0001003400000000, 0.0002364600000000, 0.0000818800000000 ] - [ -0.0002147800000000, -0.0055958200000000, 0.0001123400000000 ] - [ 0.0001646200000000, -0.0001233700000000, 0.0000676400000000 ] - [ -0.0028329100000000, -0.0005292000000000, 0.0000424500000000 ] - [ 0.0034267700000000, -0.0007513400000000, 0.0000233200000000 ] - [ -0.0000911000000000, -0.0001826800000000, -0.0002583500000000 ] - [ -0.0001207900000000, -0.0001833300000000, 0.0000660600000000 ] - [ -0.0001048200000000, 0.0000397800000000, -0.0000729300000000 ] - [ 0.0000386800000000, 0.0000178300000000, -0.0000239000000000 ] - [ -0.0008828000000000, -0.0004918600000000, -0.0030471700000000 ] - [ 0.0000496700000000, 0.0000788100000000, -0.0000581900000000 ] - [ -0.0001282200000000, -0.0004216300000000, 0.0000552800000000 ] - [ -0.0000782700000000, -0.0004208500000000, 0.0000104600000000 ] - [ -0.0000110500000000, -0.0004138000000000, -0.0000025400000000 ] - [ 0.0000152500000000, -0.0001457700000000, 0.0000108900000000 ] - [ 0.0000011900000000, -0.0001438700000000, -0.0000916100000000 ] - [ 0.0001626700000000, -0.0001026100000000, -0.0000411400000000 ] - [ 0.0027692200000000, -0.0002185300000000, 0.0000217100000000 ] - [ -0.0039487900000000, -0.0006244300000000, -0.0000165900000000 ] - [ 0.0002388300000000, -0.0066721800000000, 0.0000712700000000 ] - [ 0.0000082500000000, -0.0000304400000000, -0.0000047800000000 ] - [ -0.0001016200000000, 0.0000964000000000, 0.0001014600000000 ] - [ -0.0000298000000000, 0.0000954300000000, 0.0001030900000000 ] - [ 0.0000038700000000, -0.0000074000000000, 0.0000853100000000 ] - [ -0.0000041100000000, -0.0000623000000000, -0.0000065500000000 ] - [ -0.0033302100000000, -0.0000568700000000, -0.0040042200000000 ] - [ 0.0001565400000000, 0.0004108600000000, -0.0000085100000000 ] - [ 0.0012085200000000, -0.0030335100000000, -0.0007611000000000 ] - [ -0.0006507700000000, -0.0006348200000000, 0.0000082200000000 ] - [ 0.0026775900000000, -0.0008121000000000, 0.0039443300000000 ] - [ 0.0002958800000000, -0.0001791500000000, 0.0001684800000000 ] - [ -0.0002981400000000, 0.0050884600000000, -0.0002544600000000 ] - [ 0.0005523300000000, 0.0001914500000000, -0.0003140900000000 ] - [ -0.0011404000000000, -0.0027629900000000, 0.0008595000000000 ] - [ 0.0007570200000000, -0.0004542100000000, -0.0000078700000000 ] - [ 0.0035252700000000, 0.0001814000000000, 0.0041434900000000 ] - [ -0.0001244400000000, 0.0003818800000000, 0.0000422500000000 ] - [ 0.0008554100000000, -0.0017058400000000, -0.0009099900000000 ] - [ -0.0004177400000000, 0.0001891000000000, -0.0002899200000000 ] - [ -0.0000949700000000, -0.0012746500000000, -0.0001253300000000 ] - [ 0.0003732600000000, -0.0002544500000000, 0.0002017700000000 ] - [ 0.0000128900000000, -0.0007218200000000, -0.0000502200000000 ] - [ -0.0000040900000000, -0.0003701600000000, -0.0000811400000000 ] - [ 0.0012280600000000, 0.0002132500000000, 0.0005068300000000 ] - [ -0.0000106700000000, 0.0000567400000000, -0.0000472300000000 ] - [ 0.0001492800000000, 0.0002607500000000, -0.0002111200000000 ] - [ 0.0000474700000000, 0.0006833000000000, -0.0010005000000000 ] - [ -0.0001636300000000, 0.0004540300000000, 0.0001682000000000 ] - [ -0.0001356300000000, 0.0002018100000000, 0.0001241900000000 ] - [ -0.0051281900000000, -0.0093635000000000, 0.0056968700000000 ] - [ -0.0002903600000000, -0.0000252200000000, -0.0002233400000000 ] - [ 0.0013229200000000, -0.0014830300000000, 0.0009571500000000 ] - [ 0.0000139400000000, 0.0000395200000000, 0.0000676200000000 ] - [ 0.0000524700000000, -0.0002390200000000, 0.0000208400000000 ] - [ 0.0003846400000000, -0.0014995200000000, 0.0003968100000000 ] - [ -0.0006445900000000, -0.0009582500000000, 0.0005525300000000 ] - [ -0.0010476700000000, -0.0002877400000000, -0.0003621500000000 ] - [ 0.0001596800000000, -0.0000198500000000, 0.0000664400000000 ] - [ 0.0002681300000000, -0.0000331700000000, 0.0000403900000000 ] - [ 0.0005257600000000, 0.0001559600000000, 0.0008248200000000 ] - [ -0.0002039400000000, 0.0000488200000000, 0.0001449500000000 ] - [ 0.0002362900000000, -0.0003238800000000, 0.0000321900000000 ] - [ -0.0002001300000000, 0.0000772600000000, -0.0000064700000000 ] - [ -0.0003618200000000, -0.0010072300000000, -0.0000136300000000 ] - [ -0.0000105700000000, -0.0005834800000000, 0.0000580700000000 ] - [ -0.0000424900000000, 0.0003349600000000, 0.0000275800000000 ] - [ -0.0000579100000000, 0.0030425100000000, 0.0000170800000000 ] - [ -0.0001743700000000, -0.0001436300000000, 0.0000209100000000 ] - [ -0.0003405900000000, -0.0000700400000000, -0.0000959000000000 ] - [ -0.0005956900000000, -0.0029310800000000, 0.0008265600000000 ] - [ -0.0000295200000000, -0.0003718200000000, 0.0002899200000000 ] - [ 0.0004508600000000, -0.0012601600000000, -0.0005335200000000 ] - [ 0.0000576800000000, -0.0001977600000000, 0.0000796100000000 ] - [ -0.0001520300000000, 0.0001821900000000, 0.0001599000000000 ] - [ 0.0006068600000000, 0.0010415300000000, 0.0010241900000000 ] - [ -0.0005969900000000, 0.0001235300000000, -0.0009153000000000 ] - [ 0.0002058500000000, 0.0000320600000000, -0.0001651900000000 ] - [ -0.0000101500000000, 0.0003830400000000, 0.0001805100000000 ] - [ -0.0002301800000000, 0.0000044800000000, -0.0001196000000000 ] - [ 0.0003214100000000, 0.0003374100000000, 0.0000102600000000 ] - [ 0.0002355900000000, 0.0000187600000000, 0.0000979200000000 ] - [ -0.0012569300000000, 0.0001761700000000, -0.0005276300000000 ] - [ 0.0000176500000000, 0.0000268500000000, -0.0000419100000000 ] - [ -0.0024548800000000, -0.0034253400000000, 0.0006442200000000 ] - [ -0.0000738300000000, -0.0000122800000000, -0.0000578200000000 ] - [ -0.0007717400000000, 0.0010632800000000, 0.0006235600000000 ] - [ 0.0000150400000000, 0.0000613400000000, 0.0000082000000000 ] - [ 0.0000421800000000, 0.0009372400000000, -0.0000183000000000 ] - [ 0.0000137500000000, 0.0006391400000000, 0.0000020400000000 ]- atom: 3 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ -0.0001317800000000, -0.0002430800000000, 0.0000148100000000 ] - [ 0.0001387500000000, -0.0001931900000000, -0.0000157000000000 ] - [ 0.0015555400000000, 0.0102347700000000, -0.0427668600000000 ] - [ -0.0001892500000000, 0.0000335300000000, -0.0008207500000000 ] - [ -0.0031678000000000, 0.0000933200000000, 0.0042136000000000 ] - [ 0.0003034200000000, 0.0000297000000000, -0.0000471600000000 ] - [ 0.0000704100000000, 0.0000311100000000, 0.0012337400000000 ] - [ 0.0001428400000000, 0.0001109000000000, 0.0010601700000000 ] - [ 0.0003191400000000, -0.0002041400000000, -0.0017706600000000 ] - [ 0.0000865500000000, -0.0000832300000000, -0.0007509700000000 ] - [ -0.0006409900000000, -0.0005062500000000, -0.0017005800000000 ] - [ -0.0009333500000000, 0.0007217000000000, -0.0019977700000000 ] - [ -0.0001079500000000, 0.0000384000000000, 0.0010453200000000 ] - [ -0.0001867900000000, -0.0002874500000000, 0.0010308000000000 ] - [ -0.0000955100000000, -0.0000177000000000, 0.0013185200000000 ] - [ 0.0001669200000000, -0.0000394800000000, 0.0009009300000000 ] - [ 0.0015351500000000, 0.0023816400000000, 0.0032400900000000 ] - [ -0.0002185400000000, 0.0001232400000000, 0.0000035200000000 ] - [ -0.0001373500000000, 0.0000204900000000, -0.0008840300000000 ] - [ -0.0001326700000000, -0.0000337900000000, -0.0008820000000000 ] - [ 0.0001778700000000, -0.0000005800000000, 0.0000194400000000 ] - [ -0.0002093900000000, 0.0000074900000000, -0.0000760500000000 ] - [ 0.0002299900000000, -0.0000419100000000, 0.0011484300000000 ] - [ 0.0000755600000000, -0.0000200900000000, 0.0006969400000000 ] - [ -0.0004578900000000, 0.0004171400000000, -0.0017094100000000 ] - [ -0.0008203600000000, -0.0007032600000000, -0.0023422500000000 ] - [ 0.0002441200000000, 0.0002273300000000, -0.0020205400000000 ] - [ -0.0000696800000000, 0.0000578500000000, -0.0007518700000000 ] - [ -0.0001867100000000, 0.0000667000000000, 0.0013341500000000 ] - [ -0.0000363700000000, 0.0000579500000000, 0.0008359000000000 ] - [ -0.0000206500000000, -0.0000658100000000, 0.0010336700000000 ] - [ -0.0000554600000000, 0.0001764800000000, 0.0009282900000000 ] - [ 0.0036989600000000, 0.0039222500000000, 0.0047042700000000 ] - [ -0.0004058900000000, 0.0001637800000000, 0.0001631300000000 ] - [ -0.0014840400000000, 0.0008681400000000, 0.0008726500000000 ] - [ 0.0004462000000000, 0.0002612600000000, -0.0000638100000000 ] - [ 0.0029298400000000, -0.0046355000000000, 0.0050986900000000 ] - [ -0.0005167300000000, -0.0006135300000000, -0.0001155600000000 ] - [ -0.0056699300000000, -0.0004281600000000, 0.0056881100000000 ] - [ 0.0014594100000000, 0.0008246600000000, 0.0007581000000000 ] - [ -0.0014412600000000, -0.0010172300000000, 0.0009117500000000 ] - [ 0.0004677600000000, -0.0003439700000000, -0.0000956600000000 ] - [ 0.0040227100000000, -0.0040930500000000, 0.0052707500000000 ] - [ -0.0004402900000000, -0.0001297400000000, 0.0001367400000000 ] - [ -0.0006554100000000, 0.0022160200000000, 0.0009243500000000 ] - [ 0.0002591100000000, 0.0001573500000000, 0.0001128500000000 ] - [ 0.0002706400000000, -0.0002756400000000, 0.0001041600000000 ] - [ -0.0005069100000000, 0.0000096500000000, -0.0001542100000000 ] - [ -0.0004408200000000, 0.0000067700000000, -0.0007121200000000 ] - [ 0.0000494400000000, -0.0000242300000000, -0.0005661400000000 ] - [ -0.0012282400000000, -0.0001667600000000, -0.0010273400000000 ] - [ 0.0003228400000000, 0.0001350900000000, -0.0006276100000000 ] - [ 0.0000353600000000, 0.0002632900000000, 0.0004064200000000 ] - [ -0.0001742400000000, 0.0003759100000000, 0.0005636900000000 ] - [ 0.0003068700000000, 0.0008612400000000, -0.0008596800000000 ] - [ 0.0001677100000000, 0.0002105100000000, -0.0004949400000000 ] - [ -0.0059163700000000, -0.0094990300000000, 0.0083023700000000 ] - [ 0.0001967200000000, 0.0000239800000000, 0.0005001100000000 ] - [ -0.0018729700000000, 0.0009329400000000, 0.0017812100000000 ] - [ 0.0000515100000000, 0.0000321100000000, 0.0004976400000000 ] - [ 0.0005586300000000, 0.0002300200000000, 0.0002859600000000 ] - [ 0.0021699200000000, 0.0004456100000000, 0.0028932200000000 ] - [ 0.0007642400000000, 0.0008890300000000, -0.0009647000000000 ] - [ -0.0010436700000000, -0.0001424300000000, -0.0008386500000000 ] - [ 0.0002981500000000, -0.0004783900000000, -0.0008279900000000 ] - [ -0.0000646500000000, -0.0001023100000000, -0.0005623600000000 ] - [ -0.0004013500000000, -0.0002682000000000, 0.0005352800000000 ] - [ 0.0003985500000000, 0.0000448800000000, 0.0005248800000000 ] - [ 0.0001145700000000, 0.0003463400000000, -0.0006443100000000 ] - [ -0.0009586700000000, 0.0000013500000000, -0.0010651100000000 ] - [ 0.0081141900000000, 0.0001566500000000, 0.0068588400000000 ] - [ 0.0008460400000000, -0.0000222300000000, 0.0000609800000000 ] - [ -0.0000219600000000, 0.0000398100000000, -0.0004086600000000 ] - [ 0.0011850200000000, 0.0000737400000000, -0.0020288000000000 ] - [ 0.0002895500000000, 0.0004851900000000, -0.0008195700000000 ] - [ -0.0000660600000000, 0.0001238600000000, -0.0005343700000000 ] - [ -0.0001257700000000, 0.0014331100000000, 0.0014869000000000 ] - [ -0.0001291700000000, -0.0003922200000000, 0.0005581700000000 ] - [ 0.0004404400000000, -0.0009132200000000, -0.0009562100000000 ] - [ -0.0001049100000000, -0.0002622900000000, -0.0004339300000000 ] - [ 0.0002298500000000, -0.0001487700000000, 0.0003422900000000 ] - [ -0.0004521100000000, -0.0002093300000000, 0.0004210000000000 ] - [ -0.0004138000000000, 0.0002779700000000, 0.0005596300000000 ] - [ 0.0004246600000000, -0.0000181900000000, 0.0005162800000000 ] - [ -0.0002094600000000, -0.0002204200000000, 0.0006064600000000 ] - [ 0.0001897900000000, -0.0000679900000000, 0.0005745700000000 ] - [ -0.0000371000000000, -0.0000917000000000, -0.0006284500000000 ] - [ -0.0000266900000000, 0.0000609600000000, -0.0004444200000000 ] - [ -0.0013246200000000, 0.0002031600000000, -0.0010450300000000 ] - [ 0.0003245400000000, -0.0001071800000000, -0.0005545300000000 ] - [ -0.0028268200000000, -0.0026794700000000, 0.0031960400000000 ] - [ 0.0000718200000000, -0.0000064200000000, 0.0004874800000000 ] - [ 0.0008881500000000, -0.0011701600000000, -0.0012373600000000 ] - [ -0.0001388500000000, -0.0000399500000000, -0.0005562800000000 ] - [ 0.0000639200000000, 0.0000633500000000, 0.0003256500000000 ] - [ -0.0002061500000000, 0.0000379700000000, 0.0007154900000000 ]- atom: 3 displacement: [ 0.0017344484271470, 0.0000000000000000, -0.0098484358480709 ] forces: - [ 0.0001316100000000, 0.0002088600000000, -0.0000136500000000 ] - [ -0.0001394400000000, 0.0001572100000000, 0.0000159000000000 ] - [ -0.0021432500000000, -0.0104196400000000, 0.0428999400000000 ] - [ -0.0000436800000000, 0.0000079000000000, 0.0008269200000000 ] - [ 0.0031175500000000, -0.0000573500000000, -0.0041609100000000 ] - [ -0.0003025400000000, 0.0000055600000000, 0.0000449800000000 ] - [ 0.0001641500000000, 0.0000116800000000, -0.0012476200000000 ] - [ 0.0000873100000000, -0.0000688900000000, -0.0010743900000000 ] - [ -0.0000856800000000, 0.0001402600000000, 0.0017638500000000 ] - [ 0.0001457900000000, 0.0000416000000000, 0.0007432800000000 ] - [ 0.0006228500000000, 0.0004974700000000, 0.0017032200000000 ] - [ 0.0009539800000000, -0.0007328800000000, 0.0019906400000000 ] - [ -0.0001247700000000, -0.0000791200000000, -0.0010302500000000 ] - [ -0.0000442500000000, 0.0002456900000000, -0.0010168800000000 ] - [ 0.0000948500000000, 0.0000212800000000, -0.0013168000000000 ] - [ -0.0001654900000000, 0.0000388800000000, -0.0009008100000000 ] - [ -0.0015561500000000, -0.0024490800000000, -0.0032670200000000 ] - [ 0.0002195800000000, -0.0001606900000000, -0.0000029200000000 ] - [ -0.0000950500000000, 0.0000182600000000, 0.0008896200000000 ] - [ -0.0000992700000000, 0.0000751900000000, 0.0008903600000000 ] - [ -0.0001792100000000, 0.0000357500000000, -0.0000199400000000 ] - [ 0.0002102600000000, 0.0000272900000000, 0.0000760600000000 ] - [ 0.0000012900000000, 0.0000844000000000, -0.0011627100000000 ] - [ 0.0001573200000000, 0.0000633700000000, -0.0007109600000000 ] - [ 0.0006731400000000, -0.0004485400000000, 0.0017072600000000 ] - [ 0.0010783200000000, 0.0006740100000000, 0.0023280700000000 ] - [ -0.0002462300000000, -0.0002001200000000, 0.0020219000000000 ] - [ 0.0000700800000000, -0.0000594300000000, 0.0007512200000000 ] - [ -0.0000459400000000, -0.0001136700000000, -0.0013204400000000 ] - [ -0.0001947700000000, -0.0001013500000000, -0.0008220000000000 ] - [ 0.0000213400000000, 0.0000634200000000, -0.0010327300000000 ] - [ 0.0000556200000000, -0.0001786100000000, -0.0009295900000000 ] - [ -0.0036506000000000, -0.0038237700000000, -0.0046687300000000 ] - [ 0.0004041100000000, -0.0001050400000000, -0.0001645300000000 ] - [ 0.0014945200000000, -0.0010122000000000, -0.0008731000000000 ] - [ -0.0004464300000000, -0.0004054400000000, 0.0000634100000000 ] - [ -0.0029546500000000, 0.0046402300000000, -0.0051443200000000 ] - [ 0.0005205900000000, 0.0005523700000000, 0.0001140700000000 ] - [ 0.0057480800000000, 0.0005882800000000, -0.0057582800000000 ] - [ -0.0014492500000000, -0.0006820300000000, -0.0007557400000000 ] - [ 0.0014551600000000, 0.0010803200000000, -0.0009153000000000 ] - [ -0.0004675500000000, 0.0004041500000000, 0.0000942800000000 ] - [ -0.0039701500000000, 0.0039043600000000, -0.0052252700000000 ] - [ 0.0004385400000000, -0.0000137900000000, -0.0001370300000000 ] - [ 0.0006556400000000, -0.0022639000000000, -0.0009225100000000 ] - [ -0.0002586200000000, -0.0002167000000000, -0.0001117900000000 ] - [ -0.0002728400000000, 0.0004170200000000, -0.0001029000000000 ] - [ 0.0005067900000000, 0.0001332800000000, 0.0001532300000000 ] - [ 0.0004098700000000, 0.0000312600000000, 0.0006460700000000 ] - [ -0.0000686100000000, 0.0000653800000000, 0.0005012800000000 ] - [ 0.0012341600000000, 0.0001989300000000, 0.0009729600000000 ] - [ -0.0003143100000000, -0.0001074800000000, 0.0005703100000000 ] - [ -0.0000566800000000, -0.0002977600000000, -0.0004681600000000 ] - [ 0.0001549700000000, -0.0004166800000000, -0.0006326900000000 ] - [ -0.0002878000000000, -0.0009014200000000, 0.0009240600000000 ] - [ -0.0001473900000000, -0.0002484800000000, 0.0005598200000000 ] - [ 0.0061559900000000, 0.0098811300000000, -0.0087051500000000 ] - [ -0.0001901500000000, -0.0000549200000000, -0.0005589100000000 ] - [ 0.0017861300000000, -0.0007488200000000, -0.0015923600000000 ] - [ -0.0000558600000000, 0.0000004300000000, -0.0004373900000000 ] - [ -0.0005572500000000, -0.0002598900000000, -0.0002785000000000 ] - [ -0.0022835800000000, -0.0004642400000000, -0.0029683200000000 ] - [ -0.0007750200000000, -0.0009240500000000, 0.0010183800000000 ] - [ 0.0010361100000000, 0.0001094200000000, 0.0008952700000000 ] - [ -0.0002958600000000, 0.0005103800000000, 0.0008385500000000 ] - [ 0.0000719700000000, 0.0001284400000000, 0.0005677400000000 ] - [ 0.0003951200000000, 0.0002953600000000, -0.0005409400000000 ] - [ -0.0004046800000000, -0.0000196600000000, -0.0005329600000000 ] - [ -0.0001226000000000, -0.0003824400000000, 0.0006377300000000 ] - [ 0.0009434300000000, -0.0000305200000000, 0.0010508900000000 ] - [ -0.0078563300000000, -0.0001147400000000, -0.0066565100000000 ] - [ -0.0008206300000000, 0.0000624400000000, 0.0000053500000000 ] - [ 0.0000006100000000, -0.0000003000000000, 0.0003452700000000 ] - [ -0.0012130900000000, -0.0000364500000000, 0.0019698200000000 ] - [ -0.0002863800000000, -0.0004561400000000, 0.0007643600000000 ] - [ 0.0000719500000000, -0.0000921400000000, 0.0004748600000000 ] - [ 0.0002042700000000, -0.0016250100000000, -0.0016901300000000 ] - [ 0.0001092900000000, 0.0003533000000000, -0.0006221000000000 ] - [ -0.0004212000000000, 0.0008730300000000, 0.0010202700000000 ] - [ 0.0001289900000000, 0.0002236600000000, 0.0004974000000000 ] - [ -0.0002209100000000, 0.0001160000000000, -0.0003992400000000 ] - [ 0.0004607900000000, 0.0001771800000000, -0.0004822500000000 ] - [ 0.0004070100000000, -0.0002449400000000, -0.0004952300000000 ] - [ -0.0004315500000000, 0.0000498500000000, -0.0004582700000000 ] - [ 0.0002160100000000, 0.0001941200000000, -0.0005982300000000 ] - [ -0.0001840300000000, 0.0000391100000000, -0.0005639900000000 ] - [ 0.0000293600000000, 0.0000621600000000, 0.0006848100000000 ] - [ 0.0000179100000000, -0.0000940100000000, 0.0004998300000000 ] - [ 0.0013293100000000, -0.0001769600000000, 0.0010518300000000 ] - [ -0.0003137800000000, 0.0001392600000000, 0.0005639700000000 ] - [ 0.0027094800000000, 0.0024849100000000, -0.0030215600000000 ] - [ -0.0000772700000000, 0.0000322600000000, -0.0004968100000000 ] - [ -0.0008920500000000, 0.0011333700000000, 0.0012245600000000 ] - [ 0.0001329900000000, 0.0000116500000000, 0.0005494600000000 ] - [ -0.0000461400000000, -0.0000246200000000, -0.0002560700000000 ] - [ 0.0002247900000000, 0.0000028300000000, -0.0006481400000000 ]- atom: 11 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ -0.0006480500000000, -0.0008974400000000, 0.0017020600000000 ] - [ 0.0003859100000000, -0.0000436100000000, -0.0001096400000000 ] - [ 0.0037082500000000, 0.0028385300000000, 0.0000365400000000 ] - [ 0.0042751400000000, -0.0034432900000000, -0.0001869400000000 ] - [ 0.0003858300000000, -0.0000081300000000, -0.0001078600000000 ] - [ -0.0006598300000000, -0.0008559000000000, 0.0016931500000000 ] - [ -0.0002004900000000, -0.0000828500000000, -0.0001585500000000 ] - [ 0.0001965700000000, 0.0000604900000000, 0.0001772700000000 ] - [ 0.0044583900000000, -0.0034303000000000, -0.0001949100000000 ] - [ 0.0039862400000000, 0.0028433300000000, 0.0000314900000000 ] - [ -0.0323615100000000, 0.0106522700000000, 0.0104293000000000 ] - [ 0.0006704300000000, 0.0000309600000000, -0.0000192700000000 ] - [ -0.0004317600000000, -0.0001258000000000, -0.0001439900000000 ] - [ -0.0000340700000000, 0.0000155300000000, 0.0001916200000000 ] - [ 0.0001516600000000, 0.0000000400000000, 0.0000336100000000 ] - [ 0.0001534300000000, -0.0000001200000000, 0.0000327400000000 ] - [ 0.0001794600000000, 0.0000740400000000, 0.0001274400000000 ] - [ -0.0001886300000000, -0.0001371200000000, -0.0001735300000000 ] - [ -0.0016309700000000, -0.0002297600000000, -0.0000164900000000 ] - [ 0.0001512700000000, 0.0000129400000000, -0.0000203000000000 ] - [ -0.0001882900000000, -0.0000995800000000, -0.0001734100000000 ] - [ 0.0001783600000000, 0.0001095100000000, 0.0001279800000000 ] - [ 0.0000828800000000, 0.0000178800000000, -0.0000682800000000 ] - [ 0.0003235200000000, 0.0000265100000000, 0.0000091200000000 ] - [ -0.0014005900000000, -0.0002472100000000, -0.0000234000000000 ] - [ 0.0003839900000000, -0.0000295000000000, -0.0000281600000000 ] - [ 0.0000891500000000, 0.0000236600000000, -0.0000121300000000 ] - [ 0.0000888200000000, 0.0000227200000000, -0.0000122400000000 ] - [ 0.0000920900000000, -0.0000174600000000, 0.0000230700000000 ] - [ -0.0001481700000000, -0.0000261800000000, -0.0000545600000000 ] - [ -0.0003327200000000, 0.0002144200000000, 0.0000242400000000 ] - [ 0.0001575300000000, -0.0000933900000000, 0.0000039900000000 ] - [ 0.0019897900000000, -0.0005786400000000, -0.0046381900000000 ] - [ 0.0027942300000000, 0.0003455000000000, 0.0009815200000000 ] - [ 0.0011850900000000, -0.0001407500000000, -0.0002121600000000 ] - [ -0.0037473300000000, 0.0028620900000000, 0.0024220400000000 ] - [ 0.0028101000000000, 0.0002751700000000, 0.0009811500000000 ] - [ 0.0019743800000000, -0.0006454500000000, -0.0046762600000000 ] - [ -0.0037170400000000, 0.0029993000000000, 0.0024309200000000 ] - [ 0.0011869200000000, -0.0000066200000000, -0.0002177100000000 ] - [ 0.0006022400000000, -0.0001162300000000, 0.0001250900000000 ] - [ -0.0006810700000000, 0.0005357500000000, -0.0000177800000000 ] - [ 0.0007004400000000, 0.0014253500000000, -0.0002569800000000 ] - [ 0.0005288700000000, -0.0004566600000000, 0.0002332500000000 ] - [ -0.0006778600000000, 0.0004762800000000, -0.0000173200000000 ] - [ 0.0006004900000000, -0.0001747500000000, 0.0001241800000000 ] - [ 0.0005279000000000, -0.0003123700000000, 0.0002319900000000 ] - [ 0.0006978500000000, 0.0015568200000000, -0.0002551400000000 ] - [ -0.0001925600000000, -0.0004034400000000, 0.0001961700000000 ] - [ -0.0000800300000000, 0.0001438700000000, -0.0000944500000000 ] - [ 0.0006925600000000, 0.0002823800000000, 0.0000334100000000 ] - [ -0.0018954200000000, -0.0003524900000000, -0.0008329600000000 ] - [ 0.0014866400000000, 0.0012844500000000, -0.0001780700000000 ] - [ -0.0002648200000000, 0.0000330200000000, -0.0002738200000000 ] - [ -0.0000606100000000, 0.0001027500000000, -0.0000266500000000 ] - [ -0.0001708300000000, -0.0004374700000000, 0.0002609900000000 ] - [ 0.0029803300000000, -0.0014564000000000, -0.0005993700000000 ] - [ -0.0004855200000000, 0.0004084400000000, 0.0010912700000000 ] - [ -0.0004882700000000, 0.0004344700000000, 0.0011319100000000 ] - [ 0.0032391400000000, -0.0014235800000000, -0.0003391000000000 ] - [ 0.0041991400000000, -0.0058755800000000, -0.0042376300000000 ] - [ -0.0007541600000000, -0.0002217600000000, -0.0003000500000000 ] - [ 0.0006872000000000, 0.0002499800000000, 0.0000907700000000 ] - [ -0.0019115400000000, -0.0003842600000000, -0.0007782100000000 ] - [ -0.0006721900000000, 0.0005665000000000, 0.0002476500000000 ] - [ 0.0008534700000000, -0.0001950500000000, 0.0002966100000000 ] - [ 0.0042200100000000, -0.0057799900000000, -0.0041574900000000 ] - [ -0.0007625900000000, -0.0001956100000000, -0.0003117300000000 ] - [ 0.0008433100000000, -0.0002197400000000, 0.0002909900000000 ] - [ -0.0006748500000000, 0.0005352400000000, 0.0002381900000000 ] - [ 0.0014734400000000, 0.0012625800000000, -0.0000582100000000 ] - [ -0.0002460500000000, 0.0000733200000000, -0.0002134700000000 ] - [ 0.0007522400000000, -0.0011161900000000, -0.0007292300000000 ] - [ -0.0002357700000000, 0.0002078300000000, 0.0001165700000000 ] - [ -0.0007163400000000, -0.0006664100000000, 0.0002434200000000 ] - [ 0.0001436700000000, 0.0000861300000000, 0.0000290800000000 ] - [ 0.0003274200000000, -0.0004315300000000, -0.0006726200000000 ] - [ -0.0003333200000000, -0.0000734200000000, 0.0003710200000000 ] - [ 0.0007674800000000, -0.0011500900000000, -0.0006603300000000 ] - [ -0.0002175100000000, 0.0001713400000000, 0.0001850400000000 ] - [ 0.0004606200000000, -0.0002030900000000, 0.0000074800000000 ] - [ -0.0004443100000000, 0.0001277600000000, -0.0001412400000000 ] - [ 0.0004542400000000, -0.0001712300000000, 0.0000656500000000 ] - [ -0.0004529100000000, 0.0001589800000000, -0.0000838200000000 ] - [ -0.0002271800000000, 0.0005283600000000, -0.0004616000000000 ] - [ -0.0001325500000000, -0.0002130600000000, 0.0001835200000000 ] - [ 0.0001359400000000, 0.0000538400000000, 0.0000862700000000 ] - [ -0.0007187700000000, -0.0006925000000000, 0.0002963500000000 ] - [ 0.0004764400000000, -0.0002342500000000, 0.0000054600000000 ] - [ -0.0004157600000000, 0.0001548900000000, -0.0001070700000000 ] - [ -0.0001390400000000, -0.0001839700000000, 0.0001725000000000 ] - [ -0.0002312300000000, 0.0005597900000000, -0.0004734800000000 ] - [ 0.0004690400000000, -0.0002626400000000, -0.0000021700000000 ] - [ -0.0004225900000000, 0.0001279000000000, -0.0001135500000000 ] - [ -0.0003141700000000, -0.0000348100000000, 0.0004357700000000 ] - [ 0.0003497100000000, -0.0003952300000000, -0.0006083300000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009074800000000, 0.0004531600000000, -0.0029944200000000 ] - [ 0.0000575100000000, -0.0001018100000000, -0.0000551900000000 ] - [ 0.0027301500000000, 0.0005490700000000, -0.0000031000000000 ] - [ -0.0037160000000000, 0.0007720800000000, 0.0001033500000000 ] - [ 0.0000578200000000, -0.0000651800000000, -0.0000553200000000 ] - [ -0.0009043600000000, 0.0004992900000000, -0.0029777700000000 ] - [ 0.0000230900000000, -0.0000168300000000, -0.0000033200000000 ] - [ 0.0002405100000000, 0.0000039100000000, 0.0000552700000000 ] - [ -0.0035066200000000, 0.0007190600000000, 0.0001007200000000 ] - [ 0.0029796300000000, 0.0004984000000000, -0.0000112500000000 ] - [ 0.0106689000000000, -0.0445201000000000, -0.0182456400000000 ] - [ 0.0000309800000000, -0.0000666200000000, -0.0000126200000000 ] - [ -0.0002082200000000, -0.0000610100000000, 0.0000105800000000 ] - [ 0.0000098000000000, -0.0000408600000000, 0.0000693100000000 ] - [ -0.0000001700000000, -0.0000592700000000, 0.0000797000000000 ] - [ 0.0000009600000000, -0.0000598900000000, 0.0000792600000000 ] - [ 0.0001781400000000, 0.0001290600000000, 0.0000036200000000 ] - [ -0.0002592800000000, 0.0002383700000000, 0.0003513600000000 ] - [ -0.0002535100000000, 0.0066905800000000, 0.0001974800000000 ] - [ -0.0000618800000000, 0.0000501300000000, 0.0000730600000000 ] - [ -0.0002613100000000, 0.0002753500000000, 0.0003541600000000 ] - [ 0.0001785500000000, 0.0001628500000000, 0.0000037300000000 ] - [ 0.0001355300000000, 0.0000835000000000, -0.0001842900000000 ] - [ 0.0001102700000000, 0.0000286300000000, 0.0000579300000000 ] - [ -0.0000199200000000, 0.0065474900000000, 0.0001890100000000 ] - [ 0.0001707300000000, 0.0000092300000000, 0.0000655600000000 ] - [ 0.0000213600000000, 0.0003919000000000, 0.0000495000000000 ] - [ 0.0000249300000000, 0.0003912800000000, 0.0000483400000000 ] - [ -0.0001209700000000, -0.0000158600000000, 0.0000715000000000 ] - [ -0.0000953300000000, 0.0000393700000000, -0.0001691900000000 ] - [ -0.0002146000000000, 0.0000713600000000, -0.0001355700000000 ] - [ 0.0000931600000000, 0.0000537400000000, -0.0000666300000000 ] - [ -0.0003430800000000, -0.0051009300000000, -0.0002225300000000 ] - [ 0.0005433000000000, 0.0000157300000000, -0.0003330700000000 ] - [ 0.0003085400000000, 0.0000555600000000, 0.0002178600000000 ] - [ 0.0027516500000000, 0.0006545500000000, 0.0039134800000000 ] - [ 0.0005524500000000, -0.0000441300000000, -0.0003303300000000 ] - [ -0.0003544000000000, -0.0051779700000000, -0.0002010000000000 ] - [ 0.0027552200000000, 0.0008145400000000, 0.0038898400000000 ] - [ 0.0003082900000000, 0.0001996200000000, 0.0002157800000000 ] - [ 0.0004057700000000, 0.0002986500000000, 0.0002181100000000 ] - [ -0.0001442100000000, 0.0012823100000000, -0.0001365700000000 ] - [ 0.0008397800000000, 0.0016823500000000, -0.0009444200000000 ] - [ -0.0003851100000000, -0.0002722200000000, -0.0002890100000000 ] - [ -0.0001376700000000, 0.0012241000000000, -0.0001447600000000 ] - [ 0.0004043100000000, 0.0002429300000000, 0.0002172400000000 ] - [ -0.0003929600000000, -0.0001344700000000, -0.0002923600000000 ] - [ 0.0008444400000000, 0.0018065200000000, -0.0009455900000000 ] - [ 0.0004602400000000, 0.0012330800000000, -0.0006138200000000 ] - [ 0.0000021300000000, 0.0001492100000000, 0.0000751600000000 ] - [ 0.0002601800000000, 0.0003069100000000, 0.0000062600000000 ] - [ -0.0001711800000000, -0.0000852300000000, -0.0000505000000000 ] - [ -0.0004088600000000, 0.0033240700000000, 0.0004972900000000 ] - [ -0.0000336600000000, 0.0002805400000000, 0.0002444800000000 ] - [ 0.0000221900000000, 0.0001093100000000, 0.0001428000000000 ] - [ 0.0004776100000000, 0.0011974400000000, -0.0005448000000000 ] - [ 0.0002878400000000, 0.0015110600000000, 0.0003531200000000 ] - [ 0.0000630600000000, 0.0002226500000000, -0.0000128500000000 ] - [ 0.0000532700000000, 0.0002540300000000, 0.0000461400000000 ] - [ 0.0002674400000000, 0.0015418900000000, 0.0004050100000000 ] - [ -0.0057133800000000, 0.0107309600000000, 0.0071370600000000 ] - [ -0.0003141500000000, -0.0000255900000000, -0.0001791500000000 ] - [ 0.0002493600000000, 0.0002725100000000, 0.0000636400000000 ] - [ -0.0001864000000000, -0.0001181100000000, 0.0000035500000000 ] - [ -0.0006692500000000, 0.0009804900000000, 0.0005069400000000 ] - [ -0.0010739700000000, 0.0002514100000000, -0.0004605100000000 ] - [ -0.0059207700000000, 0.0110010500000000, 0.0075138500000000 ] - [ -0.0003210600000000, 0.0000021600000000, -0.0001888100000000 ] - [ -0.0010797900000000, 0.0002242700000000, -0.0004642100000000 ] - [ -0.0006763900000000, 0.0009564300000000, 0.0004999100000000 ] - [ -0.0004777700000000, 0.0032016300000000, 0.0006943500000000 ] - [ -0.0000140300000000, 0.0003190800000000, 0.0003090900000000 ] - [ -0.0001623800000000, -0.0003360000000000, 0.0001062300000000 ] - [ -0.0001567000000000, -0.0001521200000000, 0.0000112400000000 ] - [ -0.0008004400000000, -0.0010838200000000, 0.0006061500000000 ] - [ 0.0000162700000000, -0.0000558800000000, 0.0000454600000000 ] - [ 0.0000192900000000, -0.0006489200000000, -0.0009751700000000 ] - [ 0.0001533300000000, -0.0002614300000000, -0.0002192800000000 ] - [ -0.0001438200000000, -0.0003828400000000, 0.0001708000000000 ] - [ -0.0001360600000000, -0.0001930200000000, 0.0000771100000000 ] - [ 0.0000178400000000, -0.0004230300000000, 0.0001289000000000 ] - [ -0.0002574000000000, -0.0000178900000000, -0.0001843900000000 ] - [ 0.0000132800000000, -0.0003924800000000, 0.0001774200000000 ] - [ -0.0002667500000000, 0.0000124500000000, -0.0001279700000000 ] - [ 0.0006195800000000, -0.0010145500000000, 0.0010029800000000 ] - [ -0.0001544000000000, -0.0002095700000000, 0.0001813200000000 ] - [ 0.0000111900000000, -0.0000860600000000, 0.0001030800000000 ] - [ -0.0008027500000000, -0.0011084300000000, 0.0006584700000000 ] - [ 0.0003708900000000, -0.0003144500000000, 0.0000638800000000 ] - [ 0.0002136500000000, -0.0000044900000000, 0.0000927500000000 ] - [ -0.0001594400000000, -0.0001804200000000, 0.0001704800000000 ] - [ 0.0006019300000000, -0.0009764500000000, 0.0009786600000000 ] - [ 0.0003603800000000, -0.0003424200000000, 0.0000572500000000 ] - [ 0.0002097400000000, -0.0000327400000000, 0.0000872000000000 ] - [ 0.0001732500000000, -0.0002200600000000, -0.0001547000000000 ] - [ 0.0000382200000000, -0.0006141900000000, -0.0009237100000000 ]- atom: 11 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ 0.0015450900000000, -0.0023114600000000, 0.0030842700000000 ] - [ -0.0002346700000000, -0.0001604100000000, -0.0000062500000000 ] - [ -0.0007531700000000, -0.0005119200000000, -0.0017034900000000 ] - [ -0.0008287600000000, 0.0006000300000000, -0.0019468400000000 ] - [ -0.0002356300000000, -0.0001248800000000, -0.0000064000000000 ] - [ 0.0015675800000000, -0.0023067700000000, 0.0031075500000000 ] - [ 0.0001578400000000, -0.0000346900000000, 0.0013350300000000 ] - [ 0.0001339800000000, -0.0000089100000000, 0.0008680400000000 ] - [ -0.0005741200000000, 0.0005489500000000, -0.0019564800000000 ] - [ -0.0005391500000000, -0.0005622100000000, -0.0017058100000000 ] - [ 0.0159325200000000, -0.0198183400000000, -0.0474055300000000 ] - [ -0.0001347800000000, -0.0000176700000000, -0.0009170700000000 ] - [ -0.0000742900000000, -0.0000742500000000, 0.0013486500000000 ] - [ -0.0000974900000000, -0.0000524800000000, 0.0008826200000000 ] - [ 0.0000032300000000, -0.0000772800000000, 0.0012349200000000 ] - [ 0.0000073200000000, -0.0000777800000000, 0.0012342100000000 ] - [ 0.0001304600000000, 0.0001458600000000, -0.0000201600000000 ] - [ -0.0001235300000000, 0.0002065000000000, 0.0000182800000000 ] - [ 0.0001402200000000, -0.0000228400000000, -0.0020150000000000 ] - [ -0.0001465800000000, 0.0000269400000000, -0.0007402000000000 ] - [ -0.0001236900000000, 0.0002444100000000, 0.0000164200000000 ] - [ 0.0001297600000000, 0.0001813600000000, -0.0000206600000000 ] - [ 0.0000963000000000, 0.0000169900000000, 0.0009284000000000 ] - [ 0.0000399300000000, 0.0001052000000000, 0.0010167200000000 ] - [ 0.0003737800000000, -0.0000362700000000, -0.0020240400000000 ] - [ 0.0000859200000000, -0.0000146900000000, -0.0007480000000000 ] - [ -0.0000269100000000, 0.0000437600000000, -0.0008403500000000 ] - [ -0.0000272700000000, 0.0000439100000000, -0.0008406500000000 ] - [ -0.0001929100000000, 0.0000601500000000, 0.0010302000000000 ] - [ -0.0001349600000000, -0.0000276000000000, 0.0009421600000000 ] - [ 0.0000808300000000, 0.0000959200000000, 0.0010240100000000 ] - [ -0.0000239100000000, 0.0000815800000000, 0.0006942200000000 ] - [ -0.0059228300000000, 0.0006072400000000, 0.0062358300000000 ] - [ 0.0014310000000000, -0.0007214000000000, 0.0007323100000000 ] - [ -0.0005691100000000, 0.0005087200000000, -0.0001564900000000 ] - [ 0.0030117200000000, 0.0044601200000000, 0.0050305700000000 ] - [ 0.0014416200000000, -0.0007817500000000, 0.0007353500000000 ] - [ -0.0058379100000000, 0.0005266000000000, 0.0061538800000000 ] - [ 0.0029880300000000, 0.0045412600000000, 0.0049877500000000 ] - [ -0.0005661300000000, 0.0006481800000000, -0.0001573400000000 ] - [ -0.0005212600000000, 0.0001198100000000, -0.0001574400000000 ] - [ 0.0002925700000000, 0.0003455200000000, 0.0000895000000000 ] - [ -0.0006850500000000, -0.0023042800000000, 0.0009085700000000 ] - [ 0.0002385600000000, -0.0001730200000000, 0.0001197300000000 ] - [ 0.0002917000000000, 0.0002874300000000, 0.0000909500000000 ] - [ -0.0005217000000000, 0.0000625400000000, -0.0001573400000000 ] - [ 0.0002377300000000, -0.0000299500000000, 0.0001205700000000 ] - [ -0.0006851700000000, -0.0021707300000000, 0.0009105900000000 ] - [ 0.0004285500000000, 0.0009272600000000, -0.0010508000000000 ] - [ -0.0000911800000000, 0.0002251100000000, -0.0005647500000000 ] - [ 0.0001015000000000, -0.0003540100000000, -0.0007112200000000 ] - [ -0.0008838700000000, 0.0000213100000000, -0.0010395700000000 ] - [ -0.0003932200000000, -0.0018718800000000, 0.0019233100000000 ] - [ -0.0001300400000000, 0.0003010900000000, 0.0005675700000000 ] - [ -0.0000705700000000, 0.0001838700000000, -0.0004975000000000 ] - [ 0.0004477000000000, 0.0008907500000000, -0.0009860600000000 ] - [ 0.0010436700000000, -0.0004924500000000, 0.0020500400000000 ] - [ 0.0005519200000000, -0.0002512400000000, 0.0002359700000000 ] - [ 0.0005459400000000, -0.0002210800000000, 0.0002953700000000 ] - [ 0.0011300900000000, -0.0004536200000000, 0.0021780200000000 ] - [ -0.0066030600000000, 0.0111944500000000, 0.0099050400000000 ] - [ 0.0002313000000000, -0.0000408400000000, 0.0005778900000000 ] - [ 0.0000902800000000, -0.0003772000000000, -0.0006571600000000 ] - [ -0.0008988800000000, -0.0000111300000000, -0.0009856400000000 ] - [ 0.0007819100000000, -0.0009108000000000, -0.0009555100000000 ] - [ -0.0010743500000000, 0.0001362200000000, -0.0009763100000000 ] - [ -0.0068584100000000, 0.0116977400000000, 0.0102846700000000 ] - [ 0.0002272000000000, -0.0000145000000000, 0.0005690800000000 ] - [ -0.0010807800000000, 0.0001111500000000, -0.0009817900000000 ] - [ 0.0007743500000000, -0.0009345100000000, -0.0009651000000000 ] - [ -0.0004789500000000, -0.0020046800000000, 0.0021365100000000 ] - [ -0.0001106900000000, 0.0003417000000000, 0.0006328500000000 ] - [ 0.0002553300000000, -0.0007540900000000, -0.0008568900000000 ] - [ 0.0001498400000000, -0.0002325600000000, -0.0005169600000000 ] - [ 0.0009137000000000, 0.0011303900000000, -0.0011914900000000 ] - [ -0.0001490500000000, 0.0000123800000000, -0.0005442800000000 ] - [ -0.0001888200000000, -0.0003761200000000, 0.0005475500000000 ] - [ 0.0000463600000000, -0.0002898100000000, 0.0003932000000000 ] - [ 0.0002736500000000, -0.0007939900000000, -0.0007951900000000 ] - [ 0.0001687600000000, -0.0002709800000000, -0.0004504600000000 ] - [ -0.0002222900000000, 0.0001865200000000, 0.0005278100000000 ] - [ 0.0002226500000000, 0.0000055900000000, 0.0005092300000000 ] - [ -0.0002295700000000, 0.0002219000000000, 0.0005871200000000 ] - [ 0.0002150300000000, 0.0000378200000000, 0.0005673000000000 ] - [ -0.0004392100000000, 0.0001424800000000, 0.0004494000000000 ] - [ 0.0002366400000000, 0.0001011100000000, 0.0003981200000000 ] - [ -0.0001544300000000, -0.0000196900000000, -0.0004869000000000 ] - [ 0.0009098100000000, 0.0011020100000000, -0.0011367400000000 ] - [ -0.0000613700000000, 0.0000617000000000, -0.0006375700000000 ] - [ -0.0000027300000000, -0.0000788300000000, -0.0004793600000000 ] - [ 0.0002314200000000, 0.0001286800000000, 0.0003884500000000 ] - [ -0.0004459100000000, 0.0001682500000000, 0.0004433000000000 ] - [ -0.0000693300000000, 0.0000310500000000, -0.0006459900000000 ] - [ -0.0000099800000000, -0.0001068400000000, -0.0004874300000000 ] - [ 0.0000631700000000, -0.0002490600000000, 0.0004596400000000 ] - [ -0.0001707300000000, -0.0003379900000000, 0.0006174900000000 ]- atom: 33 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ -0.0003919200000000, -0.0000166300000000, -0.0006141900000000 ] - [ 0.0003788600000000, -0.0000181500000000, 0.0003363100000000 ] - [ -0.0030199600000000, 0.0033544900000000, 0.0032150700000000 ] - [ 0.0004392600000000, -0.0001364800000000, -0.0003135700000000 ] - [ 0.0082015000000000, 0.0065288900000000, -0.0009008700000000 ] - [ 0.0082914300000000, -0.0065509100000000, -0.0008896200000000 ] - [ -0.0027742600000000, -0.0033253600000000, 0.0032332700000000 ] - [ 0.0006722400000000, 0.0001741500000000, -0.0003180200000000 ] - [ -0.0038810900000000, -0.0026895400000000, 0.0022682600000000 ] - [ 0.0013586900000000, -0.0003135000000000, -0.0003118000000000 ] - [ 0.0019890800000000, -0.0003436300000000, -0.0056345400000000 ] - [ 0.0028056100000000, 0.0005489500000000, 0.0019542100000000 ] - [ -0.0041077700000000, 0.0026685200000000, 0.0023125600000000 ] - [ 0.0011283000000000, 0.0002786000000000, -0.0002981100000000 ] - [ 0.0019785900000000, 0.0003541500000000, -0.0055965000000000 ] - [ 0.0027973500000000, -0.0005462500000000, 0.0019484700000000 ] - [ -0.0000157500000000, 0.0000276500000000, -0.0000215500000000 ] - [ -0.0000162800000000, -0.0000638700000000, -0.0000203400000000 ] - [ -0.0001247200000000, 0.0011691700000000, -0.0014741000000000 ] - [ 0.0005215800000000, -0.0007355500000000, 0.0005888000000000 ] - [ -0.0037584000000000, 0.0000262800000000, 0.0015159000000000 ] - [ 0.0017042300000000, 0.0000188300000000, 0.0002861700000000 ] - [ 0.0000951200000000, -0.0011207600000000, -0.0014734300000000 ] - [ 0.0007553400000000, 0.0007739800000000, 0.0005808800000000 ] - [ 0.0009256000000000, -0.0008798600000000, -0.0005334800000000 ] - [ 0.0006384500000000, 0.0003962400000000, 0.0003496600000000 ] - [ -0.0006810000000000, -0.0001407500000000, 0.0001762500000000 ] - [ 0.0005986100000000, 0.0004029100000000, -0.0004231800000000 ] - [ 0.0006817900000000, 0.0008230600000000, -0.0005095000000000 ] - [ 0.0004041700000000, -0.0004345400000000, 0.0003630000000000 ] - [ -0.0006803000000000, 0.0001396500000000, 0.0001802400000000 ] - [ 0.0006023300000000, -0.0004065000000000, -0.0004232600000000 ] - [ -0.3928177800000000, -0.0013753100000000, -0.0018161600000000 ] - [ 0.0056195100000000, 0.0000150700000000, -0.0004255800000000 ] - [ 0.0361892700000000, -0.0225301200000000, -0.0032192800000000 ] - [ 0.0366356800000000, 0.0226655900000000, -0.0029259000000000 ] - [ -0.0002336800000000, 0.0005223000000000, 0.0007267600000000 ] - [ -0.0002283500000000, -0.0005804100000000, 0.0007213300000000 ] - [ -0.0007420700000000, 0.0000690600000000, -0.0012283300000000 ] - [ 0.0015978600000000, 0.0000682500000000, 0.0004268500000000 ] - [ -0.0006263900000000, -0.0023614900000000, 0.0003057600000000 ] - [ -0.0006067300000000, 0.0023886200000000, 0.0002825200000000 ] - [ -0.0063521400000000, -0.0001161400000000, 0.0067532800000000 ] - [ 0.0020253800000000, -0.0000706100000000, -0.0000800500000000 ] - [ -0.0001798700000000, -0.0000301000000000, -0.0004134100000000 ] - [ 0.0006883500000000, -0.0000302300000000, 0.0001818600000000 ] - [ -0.0004901600000000, -0.0010761900000000, -0.0001371500000000 ] - [ -0.0004876000000000, 0.0012178700000000, -0.0001347400000000 ] - [ 0.0432017600000000, 0.0229960200000000, -0.0174519100000000 ] - [ -0.0018574200000000, -0.0000786600000000, 0.0010755900000000 ] - [ 0.0797579200000000, 0.0027774100000000, 0.0295920700000000 ] - [ -0.0037657000000000, 0.0006758400000000, -0.0011781600000000 ] - [ -0.0004315000000000, -0.0001677800000000, 0.0008401300000000 ] - [ 0.0002158800000000, 0.0007344100000000, -0.0018196400000000 ] - [ -0.0004088100000000, 0.0001272600000000, 0.0009044500000000 ] - [ 0.0002372800000000, -0.0007681000000000, -0.0017510200000000 ] - [ 0.0011166100000000, -0.0003262600000000, -0.0000361500000000 ] - [ -0.0004415000000000, 0.0000628500000000, -0.0001903700000000 ] - [ 0.0755375100000000, -0.0020757400000000, 0.0267846400000000 ] - [ -0.0037888300000000, -0.0006855300000000, -0.0011353600000000 ] - [ 0.0003643800000000, 0.0002947200000000, 0.0007190800000000 ] - [ -0.0010294300000000, -0.0005183100000000, -0.0013897700000000 ] - [ 0.0011034500000000, 0.0002959800000000, 0.0000096000000000 ] - [ -0.0004481800000000, -0.0000914400000000, -0.0001361900000000 ] - [ 0.0407972300000000, -0.0161033100000000, -0.0093805800000000 ] - [ -0.0038221400000000, -0.0001600400000000, 0.0006564000000000 ] - [ 0.0415627500000000, 0.0173704300000000, -0.0103535300000000 ] - [ -0.0038109700000000, 0.0001793800000000, 0.0006847800000000 ] - [ 0.0003580100000000, -0.0003238200000000, 0.0007044900000000 ] - [ -0.0010401300000000, 0.0004848300000000, -0.0013997800000000 ] - [ 0.0431061700000000, -0.0237030800000000, -0.0179502600000000 ] - [ -0.0018364700000000, 0.0001191800000000, 0.0011542900000000 ] - [ -0.0004475500000000, -0.0008588600000000, 0.0005469500000000 ] - [ -0.0031522700000000, 0.0041224100000000, 0.0020511300000000 ] - [ 0.0019777000000000, 0.0030345500000000, -0.0030930600000000 ] - [ -0.0005921700000000, -0.0003585900000000, 0.0000542200000000 ] - [ 0.0000278400000000, 0.0004517700000000, 0.0006872500000000 ] - [ -0.0002185900000000, -0.0000127500000000, 0.0000247200000000 ] - [ 0.0000542700000000, -0.0004870300000000, 0.0007494600000000 ] - [ -0.0001962000000000, -0.0000236400000000, 0.0000871900000000 ] - [ 0.0006349000000000, -0.0004824700000000, 0.0004543500000000 ] - [ -0.0004183400000000, 0.0002144900000000, -0.0002594800000000 ] - [ 0.0019806400000000, -0.0030135100000000, -0.0030351600000000 ] - [ -0.0005990100000000, 0.0003871700000000, 0.0001091600000000 ] - [ 0.0005603700000000, -0.0002251800000000, 0.0005901600000000 ] - [ -0.0002351100000000, -0.0000980000000000, 0.0001407000000000 ] - [ 0.0006267700000000, 0.0004551600000000, 0.0005114800000000 ] - [ -0.0004278400000000, -0.0002434500000000, -0.0002062000000000 ] - [ 0.0017937100000000, 0.0005830100000000, -0.0002887600000000 ] - [ -0.0010520900000000, 0.0001741500000000, 0.0001583300000000 ] - [ 0.0018051500000000, -0.0005271000000000, -0.0003004600000000 ] - [ -0.0010667000000000, -0.0001345100000000, 0.0001543000000000 ] - [ 0.0005520500000000, 0.0001922400000000, 0.0005764600000000 ] - [ -0.0002445500000000, 0.0000668700000000, 0.0001300600000000 ] - [ -0.0004332200000000, 0.0009035500000000, 0.0006101600000000 ] - [ -0.0031155900000000, -0.0039759000000000, 0.0020234800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0001254300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000347700000000, 0.0000000000000000 ] - [ 0.0031132600000000, 0.0000882300000000, 0.0044880900000000 ] - [ -0.0008159600000000, -0.0003622500000000, 0.0000156200000000 ] - [ 0.0069514900000000, 0.0002185500000000, 0.0015199400000000 ] - [ -0.0069514900000000, 0.0002185500000000, -0.0015199400000000 ] - [ -0.0031132600000000, 0.0000882300000000, -0.0044880900000000 ] - [ 0.0008159600000000, -0.0003622500000000, -0.0000156200000000 ] - [ -0.0029577300000000, 0.0007580000000000, -0.0052724300000000 ] - [ 0.0001502200000000, 0.0001253600000000, -0.0005929000000000 ] - [ -0.0006034500000000, -0.0051411800000000, 0.0004540700000000 ] - [ 0.0002982200000000, -0.0000087000000000, -0.0007172000000000 ] - [ 0.0029577300000000, 0.0007580000000000, 0.0052724300000000 ] - [ -0.0001502200000000, 0.0001253600000000, 0.0005929000000000 ] - [ 0.0006034500000000, -0.0051411800000000, -0.0004540700000000 ] - [ -0.0002982200000000, -0.0000087000000000, 0.0007172000000000 ] - [ 0.0002415500000000, 0.0000697300000000, 0.0000239300000000 ] - [ -0.0002415500000000, 0.0000697300000000, -0.0000239300000000 ] - [ 0.0004217100000000, 0.0028209200000000, -0.0009672100000000 ] - [ -0.0000010600000000, 0.0005053200000000, -0.0003537600000000 ] - [ 0.0000000000000000, 0.0128748600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009813600000000, 0.0000000000000000 ] - [ -0.0004217100000000, 0.0028209200000000, 0.0009672100000000 ] - [ 0.0000010600000000, 0.0005053200000000, 0.0003537600000000 ] - [ -0.0015036300000000, 0.0016655400000000, 0.0019852200000000 ] - [ 0.0005444700000000, -0.0002393600000000, 0.0002594700000000 ] - [ 0.0005060400000000, 0.0012552900000000, 0.0004068800000000 ] - [ -0.0001446600000000, 0.0002718700000000, 0.0000658200000000 ] - [ 0.0015036300000000, 0.0016655400000000, -0.0019852200000000 ] - [ -0.0005444700000000, -0.0002393600000000, -0.0002594700000000 ] - [ -0.0005060400000000, 0.0012552900000000, -0.0004068800000000 ] - [ 0.0001446600000000, 0.0002718700000000, -0.0000658200000000 ] - [ 0.0000000000000000, -0.3920903000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027369900000000, 0.0000000000000000 ] - [ -0.0226311500000000, 0.0099980000000000, -0.0057530300000000 ] - [ 0.0226311500000000, 0.0099980000000000, 0.0057530300000000 ] - [ 0.0005506100000000, -0.0010822900000000, 0.0001788100000000 ] - [ -0.0005506100000000, -0.0010822900000000, -0.0001788100000000 ] - [ 0.0000000000000000, -0.0009452900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000032300000000, 0.0000000000000000 ] - [ 0.0023816700000000, 0.0034083400000000, 0.0006135600000000 ] - [ -0.0023816700000000, 0.0034083400000000, -0.0006135600000000 ] - [ 0.0000000000000000, 0.0502287200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020055600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019693400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001460300000000, 0.0000000000000000 ] - [ -0.0002054700000000, 0.0006719400000000, 0.0000140200000000 ] - [ 0.0002054700000000, 0.0006719400000000, -0.0000140200000000 ] - [ 0.0172460800000000, 0.0646402100000000, -0.0215970400000000 ] - [ 0.0000669700000000, 0.0020100500000000, -0.0000563400000000 ] - [ -0.0029135700000000, 0.0303108100000000, -0.0037354700000000 ] - [ -0.0004770500000000, 0.0005384900000000, 0.0002201000000000 ] - [ -0.0007219200000000, 0.0000650900000000, 0.0012092700000000 ] - [ -0.0001269700000000, 0.0003360200000000, 0.0003297200000000 ] - [ 0.0007219200000000, 0.0000650900000000, -0.0012092700000000 ] - [ 0.0001269700000000, 0.0003360200000000, -0.0003297200000000 ] - [ -0.0003645200000000, 0.0011157500000000, -0.0001923400000000 ] - [ 0.0002148300000000, 0.0001052100000000, 0.0003142600000000 ] - [ 0.0029135700000000, 0.0303108100000000, 0.0037354700000000 ] - [ 0.0004770500000000, 0.0005384900000000, -0.0002201000000000 ] - [ 0.0006312900000000, 0.0008379300000000, -0.0009386600000000 ] - [ -0.0001671300000000, 0.0003343900000000, -0.0000723700000000 ] - [ 0.0003645200000000, 0.0011157500000000, 0.0001923400000000 ] - [ -0.0002148300000000, 0.0001052100000000, -0.0003142600000000 ] - [ -0.0233620100000000, 0.0655584600000000, 0.0256282800000000 ] - [ -0.0038518600000000, -0.0000375900000000, -0.0024584900000000 ] - [ 0.0233620100000000, 0.0655584600000000, -0.0256282800000000 ] - [ 0.0038518600000000, -0.0000375900000000, 0.0024584900000000 ] - [ -0.0006312900000000, 0.0008379300000000, 0.0009386600000000 ] - [ 0.0001671300000000, 0.0003343900000000, 0.0000723700000000 ] - [ -0.0172460800000000, 0.0646402100000000, 0.0215970400000000 ] - [ -0.0000669700000000, 0.0020100500000000, 0.0000563400000000 ] - [ -0.0018575800000000, -0.0021328600000000, 0.0004301000000000 ] - [ 0.0000279300000000, -0.0014117400000000, 0.0023707600000000 ] - [ -0.0020042900000000, -0.0054301400000000, 0.0007646800000000 ] - [ 0.0013974300000000, 0.0003201300000000, 0.0004938300000000 ] - [ 0.0003215200000000, -0.0007847400000000, -0.0017364500000000 ] - [ 0.0001050000000000, -0.0000162400000000, -0.0001446000000000 ] - [ -0.0003215200000000, -0.0007847400000000, 0.0017364500000000 ] - [ -0.0001050000000000, -0.0000162400000000, 0.0001446000000000 ] - [ 0.0001742100000000, -0.0005510600000000, -0.0001957900000000 ] - [ 0.0000243600000000, -0.0003684700000000, -0.0002137300000000 ] - [ 0.0020042900000000, -0.0054301400000000, -0.0007646800000000 ] - [ -0.0013974300000000, 0.0003201300000000, -0.0004938300000000 ] - [ -0.0001338400000000, -0.0009853600000000, 0.0008591200000000 ] - [ -0.0000435500000000, -0.0001622100000000, 0.0001652500000000 ] - [ -0.0001742100000000, -0.0005510600000000, 0.0001957900000000 ] - [ -0.0000243600000000, -0.0003684700000000, 0.0002137300000000 ] - [ 0.0010557900000000, -0.0024191700000000, -0.0008557000000000 ] - [ -0.0008764400000000, -0.0010256200000000, -0.0008584400000000 ] - [ -0.0010557900000000, -0.0024191700000000, 0.0008557000000000 ] - [ 0.0008764400000000, -0.0010256200000000, 0.0008584400000000 ] - [ 0.0001338400000000, -0.0009853600000000, -0.0008591200000000 ] - [ 0.0000435500000000, -0.0001622100000000, -0.0001652500000000 ] - [ 0.0018575800000000, -0.0021328600000000, -0.0004301000000000 ] - [ -0.0000279300000000, -0.0014117400000000, -0.0023707600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000924700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0000000000000000 ] - [ -0.0033475400000000, -0.0000649500000000, -0.0045135900000000 ] - [ 0.0005817900000000, 0.0004023400000000, -0.0000085800000000 ] - [ -0.0069937000000000, -0.0002025300000000, -0.0015093000000000 ] - [ 0.0069937000000000, -0.0002025300000000, 0.0015093000000000 ] - [ 0.0033475400000000, -0.0000649500000000, 0.0045135900000000 ] - [ -0.0005817900000000, 0.0004023400000000, 0.0000085800000000 ] - [ 0.0031874000000000, -0.0007891900000000, 0.0052285000000000 ] - [ 0.0000885600000000, -0.0001676000000000, 0.0005802700000000 ] - [ 0.0006204600000000, 0.0051370500000000, -0.0004835800000000 ] - [ -0.0003240800000000, 0.0000148700000000, 0.0007005200000000 ] - [ -0.0031874000000000, -0.0007891900000000, -0.0052285000000000 ] - [ -0.0000885600000000, -0.0001676000000000, -0.0005802700000000 ] - [ -0.0006204600000000, 0.0051370500000000, 0.0004835800000000 ] - [ 0.0003240800000000, 0.0000148700000000, -0.0007005200000000 ] - [ -0.0002399800000000, -0.0001057500000000, -0.0000249200000000 ] - [ 0.0002399800000000, -0.0001057500000000, 0.0000249200000000 ] - [ -0.0006531600000000, -0.0027757000000000, 0.0009731700000000 ] - [ -0.0002371100000000, -0.0004681300000000, 0.0003634300000000 ] - [ 0.0000000000000000, -0.0127034300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009541200000000, 0.0000000000000000 ] - [ 0.0006531600000000, -0.0027757000000000, -0.0009731700000000 ] - [ 0.0002371100000000, -0.0004681300000000, -0.0003634300000000 ] - [ 0.0017293000000000, -0.0017070300000000, -0.0019926700000000 ] - [ -0.0003117800000000, 0.0001970200000000, -0.0002724500000000 ] - [ -0.0005021300000000, -0.0012514700000000, -0.0004103700000000 ] - [ 0.0001450100000000, -0.0002703000000000, -0.0000699100000000 ] - [ -0.0017293000000000, -0.0017070300000000, 0.0019926700000000 ] - [ 0.0003117800000000, 0.0001970200000000, 0.0002724500000000 ] - [ 0.0005021300000000, -0.0012514700000000, 0.0004103700000000 ] - [ -0.0001450100000000, -0.0002703000000000, 0.0000699100000000 ] - [ 0.0000000000000000, 0.3950195300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028305400000000, 0.0000000000000000 ] - [ 0.0224207700000000, -0.0100385500000000, 0.0060400900000000 ] - [ -0.0224207700000000, -0.0100385500000000, -0.0060400900000000 ] - [ -0.0005502500000000, 0.0010226700000000, -0.0001797300000000 ] - [ 0.0005502500000000, 0.0010226700000000, 0.0001797300000000 ] - [ 0.0000000000000000, 0.0010740700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001441000000000, 0.0000000000000000 ] - [ -0.0023657100000000, -0.0033231000000000, -0.0005935900000000 ] - [ 0.0023657100000000, -0.0033231000000000, 0.0005935900000000 ] - [ 0.0000000000000000, -0.0510469400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018591600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020225300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002046600000000, 0.0000000000000000 ] - [ 0.0002105400000000, -0.0005271800000000, -0.0000143100000000 ] - [ -0.0002105400000000, -0.0005271800000000, 0.0000143100000000 ] - [ -0.0188179000000000, -0.0679156100000000, 0.0239312200000000 ] - [ -0.0001012800000000, -0.0019750300000000, -0.0000033400000000 ] - [ 0.0028917600000000, -0.0301472800000000, 0.0037445500000000 ] - [ 0.0004881400000000, -0.0004926500000000, -0.0002867800000000 ] - [ 0.0007003100000000, -0.0001052300000000, -0.0012747300000000 ] - [ 0.0001051500000000, -0.0003729500000000, -0.0003878300000000 ] - [ -0.0007003100000000, -0.0001052300000000, 0.0012747300000000 ] - [ -0.0001051500000000, -0.0003729500000000, 0.0003878300000000 ] - [ 0.0003713300000000, -0.0011399800000000, 0.0001447000000000 ] - [ -0.0002056000000000, -0.0001354500000000, -0.0003704200000000 ] - [ -0.0028917600000000, -0.0301472800000000, -0.0037445500000000 ] - [ -0.0004881400000000, -0.0004926500000000, 0.0002867800000000 ] - [ -0.0006218300000000, -0.0008655700000000, 0.0009479700000000 ] - [ 0.0001772400000000, -0.0003678800000000, 0.0000872500000000 ] - [ -0.0003713300000000, -0.0011399800000000, -0.0001447000000000 ] - [ 0.0002056000000000, -0.0001354500000000, 0.0003704200000000 ] - [ 0.0214067600000000, -0.0635422300000000, -0.0237001800000000 ] - [ 0.0039416500000000, 0.0000376800000000, 0.0025428500000000 ] - [ -0.0214067600000000, -0.0635422300000000, 0.0237001800000000 ] - [ -0.0039416500000000, 0.0000376800000000, -0.0025428500000000 ] - [ 0.0006218300000000, -0.0008655700000000, -0.0009479700000000 ] - [ -0.0001772400000000, -0.0003678800000000, -0.0000872500000000 ] - [ 0.0188179000000000, -0.0679156100000000, -0.0239312200000000 ] - [ 0.0001012800000000, -0.0019750300000000, 0.0000033400000000 ] - [ 0.0017996200000000, 0.0021588400000000, -0.0004880900000000 ] - [ -0.0000291200000000, 0.0014192600000000, -0.0024974600000000 ] - [ 0.0019669000000000, 0.0054297700000000, -0.0007917700000000 ] - [ -0.0013881400000000, -0.0002911500000000, -0.0005497200000000 ] - [ -0.0003437400000000, 0.0007465500000000, 0.0016659500000000 ] - [ -0.0001277700000000, -0.0000211800000000, 0.0000821400000000 ] - [ 0.0003437400000000, 0.0007465500000000, -0.0016659500000000 ] - [ 0.0001277700000000, -0.0000211800000000, -0.0000821400000000 ] - [ -0.0001609200000000, 0.0005218900000000, 0.0001391400000000 ] - [ -0.0000156800000000, 0.0003395100000000, 0.0001601200000000 ] - [ -0.0019669000000000, 0.0054297700000000, 0.0007917700000000 ] - [ 0.0013881400000000, -0.0002911500000000, 0.0005497200000000 ] - [ 0.0001351400000000, 0.0009500300000000, -0.0008489800000000 ] - [ 0.0000532600000000, 0.0001309500000000, -0.0001525900000000 ] - [ 0.0001609200000000, 0.0005218900000000, -0.0001391400000000 ] - [ 0.0000156800000000, 0.0003395100000000, -0.0001601200000000 ] - [ -0.0010178600000000, 0.0024555200000000, 0.0008768600000000 ] - [ 0.0008845000000000, 0.0010563200000000, 0.0008621700000000 ] - [ 0.0010178600000000, 0.0024555200000000, -0.0008768600000000 ] - [ -0.0008845000000000, 0.0010563200000000, -0.0008621700000000 ] - [ -0.0001351400000000, 0.0009500300000000, 0.0008489800000000 ] - [ -0.0000532600000000, 0.0001309500000000, 0.0001525900000000 ] - [ -0.0017996200000000, 0.0021588400000000, 0.0004880900000000 ] - [ 0.0000291200000000, 0.0014192600000000, 0.0024974600000000 ]- atom: 33 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ -0.0001498700000000, -0.0000152100000000, 0.0006912700000000 ] - [ 0.0000746100000000, -0.0000175400000000, -0.0000913200000000 ] - [ 0.0023074600000000, 0.0033740800000000, 0.0044518300000000 ] - [ -0.0004714900000000, 0.0000536200000000, 0.0001767900000000 ] - [ -0.0019006600000000, -0.0003469900000000, -0.0028440400000000 ] - [ -0.0018852600000000, 0.0003659900000000, -0.0028411300000000 ] - [ 0.0025528100000000, -0.0033720700000000, 0.0044780100000000 ] - [ -0.0002404300000000, -0.0000153900000000, 0.0001642400000000 ] - [ 0.0032313600000000, -0.0034339600000000, 0.0051244300000000 ] - [ -0.0002953500000000, -0.0001337100000000, -0.0000986000000000 ] - [ -0.0049099900000000, -0.0001417200000000, 0.0063275400000000 ] - [ 0.0004694500000000, -0.0004197400000000, 0.0005625900000000 ] - [ 0.0030215600000000, 0.0034285000000000, 0.0051856500000000 ] - [ -0.0005316100000000, 0.0000961200000000, -0.0000919200000000 ] - [ -0.0049609500000000, 0.0001541800000000, 0.0063960200000000 ] - [ 0.0004902200000000, 0.0004244700000000, 0.0005692700000000 ] - [ -0.0000094200000000, 0.0000116300000000, 0.0001236900000000 ] - [ -0.0000091900000000, -0.0000492100000000, 0.0001250900000000 ] - [ -0.0008713800000000, -0.0010168400000000, 0.0010350800000000 ] - [ 0.0000655200000000, 0.0001574700000000, -0.0001387900000000 ] - [ 0.0014092900000000, 0.0000368900000000, -0.0031160200000000 ] - [ -0.0000466300000000, 0.0000162700000000, 0.0003806000000000 ] - [ -0.0006499800000000, 0.0010706700000000, 0.0010299900000000 ] - [ 0.0003035500000000, -0.0001194300000000, -0.0001536800000000 ] - [ -0.0002630800000000, 0.0010175900000000, 0.0009697800000000 ] - [ 0.0002594000000000, 0.0001917700000000, 0.0000909300000000 ] - [ 0.0001029200000000, -0.0001119200000000, 0.0000587700000000 ] - [ 0.0000196600000000, 0.0001432200000000, -0.0000602500000000 ] - [ -0.0004948100000000, -0.0010698700000000, 0.0009778900000000 ] - [ 0.0000260900000000, -0.0002336500000000, 0.0000979000000000 ] - [ 0.0000996100000000, 0.0001147700000000, 0.0000541700000000 ] - [ 0.0000197200000000, -0.0001445900000000, -0.0000629600000000 ] - [ 0.0666892100000000, 0.0000513600000000, -0.3278925800000000 ] - [ -0.0013926600000000, 0.0000409500000000, -0.0003553600000000 ] - [ -0.0098766800000000, -0.0015462700000000, -0.0101848000000000 ] - [ -0.0099665700000000, 0.0014979300000000, -0.0102697500000000 ] - [ 0.0007468100000000, 0.0000528500000000, 0.0005708700000000 ] - [ 0.0007592800000000, -0.0001102500000000, 0.0005757500000000 ] - [ -0.0006451800000000, 0.0000588700000000, 0.0012336200000000 ] - [ 0.0004846400000000, 0.0000681300000000, 0.0000480800000000 ] - [ 0.0003985800000000, -0.0001544100000000, -0.0005081900000000 ] - [ 0.0003956400000000, 0.0002142200000000, -0.0005233400000000 ] - [ 0.0078592600000000, -0.0000095800000000, -0.0125218600000000 ] - [ -0.0004541200000000, -0.0000731400000000, -0.0009275300000000 ] - [ -0.0003759100000000, -0.0000295800000000, 0.0003563100000000 ] - [ 0.0000598400000000, -0.0000304900000000, -0.0000283900000000 ] - [ 0.0001391700000000, 0.0001808800000000, 0.0002644800000000 ] - [ 0.0001389200000000, -0.0000306600000000, 0.0002663800000000 ] - [ -0.0258925700000000, -0.0368570000000000, 0.0579589000000000 ] - [ -0.0002534200000000, 0.0007260300000000, -0.0000027400000000 ] - [ 0.0231878900000000, -0.0001561600000000, 0.0491324100000000 ] - [ 0.0016984300000000, -0.0005365200000000, 0.0012971600000000 ] - [ 0.0003786400000000, 0.0001050900000000, -0.0005686100000000 ] - [ -0.0002399500000000, -0.0001744400000000, -0.0002048400000000 ] - [ 0.0004025000000000, -0.0001526900000000, -0.0005028200000000 ] - [ -0.0002234400000000, 0.0001324800000000, -0.0001449300000000 ] - [ -0.0004397700000000, -0.0006892300000000, -0.0027238700000000 ] - [ -0.0005196100000000, 0.0000938000000000, -0.0002508400000000 ] - [ 0.0221584500000000, 0.0001264600000000, 0.0488582000000000 ] - [ 0.0016832000000000, 0.0005560000000000, 0.0013539500000000 ] - [ 0.0001462500000000, -0.0000101800000000, -0.0008853500000000 ] - [ -0.0003573100000000, 0.0000794600000000, -0.0005036500000000 ] - [ -0.0004538700000000, 0.0006658300000000, -0.0026911100000000 ] - [ -0.0005207200000000, -0.0001235500000000, -0.0001888800000000 ] - [ -0.0249014900000000, 0.0334147800000000, 0.0546230400000000 ] - [ 0.0027985600000000, -0.0007684200000000, 0.0022286900000000 ] - [ -0.0236304200000000, -0.0313616200000000, 0.0535960500000000 ] - [ 0.0027223200000000, 0.0007813300000000, 0.0021719600000000 ] - [ 0.0001430600000000, -0.0000134300000000, -0.0008978800000000 ] - [ -0.0003698400000000, -0.0001103500000000, -0.0005146000000000 ] - [ -0.0248763000000000, 0.0348220000000000, 0.0569967300000000 ] - [ -0.0002256100000000, -0.0006888700000000, 0.0000589700000000 ] - [ -0.0007345700000000, -0.0004440200000000, 0.0009470300000000 ] - [ 0.0001298400000000, 0.0014972700000000, 0.0019861500000000 ] - [ -0.0021443800000000, -0.0026777500000000, 0.0031547500000000 ] - [ -0.0003332500000000, -0.0001064400000000, -0.0000742900000000 ] - [ 0.0003619000000000, 0.0000362500000000, -0.0008592400000000 ] - [ -0.0000378200000000, -0.0000723800000000, -0.0000120400000000 ] - [ 0.0003815500000000, -0.0000661000000000, -0.0007835800000000 ] - [ -0.0000160900000000, 0.0000361800000000, 0.0000545600000000 ] - [ 0.0000703600000000, -0.0000243200000000, -0.0001455500000000 ] - [ 0.0000058500000000, -0.0001119000000000, -0.0000998100000000 ] - [ -0.0021114600000000, 0.0026430200000000, 0.0031805600000000 ] - [ -0.0003474200000000, 0.0001392400000000, -0.0000225900000000 ] - [ -0.0000409800000000, 0.0004785000000000, -0.0006572800000000 ] - [ -0.0001152000000000, -0.0000597600000000, 0.0000249000000000 ] - [ 0.0000593200000000, -0.0000059300000000, -0.0000844600000000 ] - [ -0.0000038400000000, 0.0000798100000000, -0.0000412700000000 ] - [ -0.0001268900000000, 0.0006260800000000, 0.0009262500000000 ] - [ 0.0008639600000000, 0.0005970000000000, 0.0006583800000000 ] - [ -0.0001506200000000, -0.0005895100000000, 0.0009108400000000 ] - [ 0.0008541000000000, -0.0005655100000000, 0.0006505100000000 ] - [ -0.0000449200000000, -0.0005142000000000, -0.0006670000000000 ] - [ -0.0001234700000000, 0.0000302400000000, 0.0000182800000000 ] - [ -0.0007045800000000, 0.0004739500000000, 0.0010099900000000 ] - [ 0.0001702700000000, -0.0014567200000000, 0.0020524300000000 ]- atom: 35 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ 0.0000078900000000, 0.0000209600000000, 0.0004747400000000 ] - [ 0.0000052300000000, -0.0000565800000000, 0.0004778900000000 ] - [ -0.0000556100000000, -0.0011874600000000, -0.0015033100000000 ] - [ 0.0004729100000000, 0.0006743000000000, 0.0005579600000000 ] - [ -0.0037341200000000, 0.0000082500000000, 0.0015083800000000 ] - [ 0.0016792200000000, 0.0000155100000000, 0.0002866200000000 ] - [ 0.0007054400000000, -0.0006339400000000, 0.0005507600000000 ] - [ 0.0001646900000000, 0.0012178500000000, -0.0015039700000000 ] - [ 0.0022725200000000, 0.0002680600000000, -0.0054340600000000 ] - [ 0.0027656900000000, -0.0005692100000000, 0.0019410800000000 ] - [ 0.0011839200000000, 0.0003066700000000, -0.0003694000000000 ] - [ -0.0037382500000000, 0.0027490900000000, 0.0023768200000000 ] - [ 0.0025221700000000, 0.0005264400000000, 0.0019465300000000 ] - [ 0.0020270300000000, -0.0003165200000000, -0.0053881000000000 ] - [ -0.0037269300000000, -0.0027644700000000, 0.0024098300000000 ] - [ 0.0011889300000000, -0.0003114800000000, -0.0003657400000000 ] - [ -0.0002206500000000, -0.0000160700000000, -0.0002528600000000 ] - [ 0.0002106900000000, -0.0000173300000000, 0.0000929000000000 ] - [ 0.0004542600000000, 0.0001437500000000, -0.0003455600000000 ] - [ -0.0032105000000000, -0.0034986700000000, 0.0035090900000000 ] - [ 0.0081814900000000, 0.0065503400000000, -0.0008947800000000 ] - [ 0.0080937600000000, -0.0064605200000000, -0.0009066000000000 ] - [ -0.0029633500000000, 0.0035449100000000, 0.0035268900000000 ] - [ 0.0006859600000000, -0.0001040700000000, -0.0003502600000000 ] - [ 0.0007612400000000, -0.0003919200000000, -0.0004041900000000 ] - [ -0.0005970700000000, 0.0000782500000000, 0.0001456400000000 ] - [ 0.0007025400000000, 0.0008494800000000, -0.0005797500000000 ] - [ 0.0005292300000000, -0.0003901700000000, 0.0003334500000000 ] - [ -0.0008323900000000, -0.0001160100000000, 0.0001601900000000 ] - [ 0.0005311400000000, 0.0003560300000000, -0.0003935200000000 ] - [ 0.0005303700000000, 0.0003882300000000, 0.0003371700000000 ] - [ 0.0006935800000000, -0.0008320800000000, -0.0005654700000000 ] - [ 0.0366356700000000, -0.0226448900000000, -0.0035247500000000 ] - [ 0.0361948500000000, 0.0224187400000000, -0.0038125400000000 ] - [ -0.3928265000000000, 0.0013311100000000, -0.0007326900000000 ] - [ 0.0054528000000000, -0.0000599300000000, -0.0003736800000000 ] - [ -0.0007427000000000, -0.0000268500000000, -0.0007853200000000 ] - [ 0.0015959400000000, -0.0000211200000000, 0.0007757400000000 ] - [ -0.0004023100000000, -0.0003940300000000, -0.0000263100000000 ] - [ -0.0004022400000000, 0.0005514700000000, -0.0000254200000000 ] - [ -0.0063614500000000, 0.0000723800000000, 0.0068444300000000 ] - [ 0.0020236700000000, 0.0000242100000000, -0.0000989500000000 ] - [ -0.0006077800000000, -0.0024222900000000, 0.0002968000000000 ] - [ -0.0006234600000000, 0.0023020300000000, 0.0003207300000000 ] - [ -0.0004882600000000, 0.0001806800000000, 0.0000548300000000 ] - [ -0.0004924500000000, -0.0002339000000000, 0.0000560100000000 ] - [ -0.0003174900000000, 0.0000757300000000, -0.0009141900000000 ] - [ 0.0012417300000000, 0.0000734200000000, 0.0006121300000000 ] - [ -0.0005199600000000, 0.0008797000000000, 0.0005875700000000 ] - [ -0.0031159600000000, -0.0040445500000000, 0.0020806800000000 ] - [ -0.0037462900000000, 0.0002260300000000, 0.0007665800000000 ] - [ 0.0414957700000000, 0.0166913800000000, -0.0099805800000000 ] - [ -0.0004546100000000, 0.0000283400000000, -0.0003116000000000 ] - [ 0.0008041000000000, 0.0000716300000000, 0.0001805900000000 ] - [ 0.0008488100000000, -0.0001136100000000, 0.0002040300000000 ] - [ -0.0004019200000000, -0.0000731800000000, -0.0002855300000000 ] - [ 0.0001864300000000, 0.0001045200000000, 0.0010948900000000 ] - [ -0.0009784900000000, -0.0007015400000000, -0.0017568500000000 ] - [ 0.0422597900000000, -0.0179314200000000, -0.0109246400000000 ] - [ -0.0037471600000000, -0.0002051700000000, 0.0008257100000000 ] - [ -0.0001694200000000, -0.0001138500000000, 0.0001289500000000 ] - [ 0.0007529000000000, -0.0000499300000000, 0.0004839700000000 ] - [ -0.0010083400000000, 0.0006920400000000, -0.0017413600000000 ] - [ 0.0001594300000000, -0.0001104600000000, 0.0011121100000000 ] - [ 0.0795379600000000, -0.0026788500000000, 0.0290390400000000 ] - [ -0.0037160300000000, -0.0006009100000000, -0.0010752300000000 ] - [ -0.0037472100000000, 0.0006915700000000, -0.0011334500000000 ] - [ 0.0752943400000000, 0.0020813000000000, 0.0261309400000000 ] - [ 0.0007381400000000, -0.0000043200000000, 0.0004365200000000 ] - [ -0.0001803100000000, 0.0000628300000000, 0.0000872700000000 ] - [ -0.0030573500000000, 0.0039852000000000, 0.0020229600000000 ] - [ -0.0004850800000000, -0.0008394300000000, 0.0006232300000000 ] - [ -0.0018738000000000, 0.0001330200000000, 0.0011106200000000 ] - [ 0.0426910300000000, -0.0225848300000000, -0.0172488700000000 ] - [ 0.0017970100000000, -0.0005907900000000, -0.0002829900000000 ] - [ -0.0010474300000000, -0.0001424000000000, 0.0001250500000000 ] - [ 0.0001251700000000, 0.0001850100000000, 0.0002190700000000 ] - [ -0.0000692300000000, -0.0001239800000000, -0.0001695200000000 ] - [ -0.0000269300000000, 0.0000733000000000, -0.0001355100000000 ] - [ 0.0001712700000000, -0.0002344900000000, 0.0002542700000000 ] - [ -0.0000083400000000, 0.0000133500000000, 0.0000688500000000 ] - [ 0.0007120600000000, -0.0001416100000000, 0.0006985100000000 ] - [ -0.0010737200000000, 0.0001430800000000, 0.0001549800000000 ] - [ 0.0017960800000000, 0.0005778200000000, -0.0002597700000000 ] - [ 0.0001157100000000, -0.0002012900000000, 0.0007070000000000 ] - [ -0.0007648500000000, 0.0005628700000000, -0.0013184500000000 ] - [ 0.0006865300000000, 0.0001298800000000, 0.0007128700000000 ] - [ -0.0000323500000000, -0.0000255200000000, 0.0000878400000000 ] - [ -0.0006045800000000, 0.0004061400000000, 0.0001056900000000 ] - [ 0.0020036300000000, -0.0030225600000000, -0.0030914500000000 ] - [ 0.0019974100000000, 0.0030852500000000, -0.0031366500000000 ] - [ -0.0006195500000000, -0.0003567100000000, 0.0000622100000000 ] - [ -0.0007821400000000, -0.0006140000000000, -0.0013629400000000 ] - [ 0.0001016400000000, 0.0001453000000000, 0.0006643900000000 ] - [ 0.0426130800000000, 0.0233635500000000, -0.0177602600000000 ] - [ -0.0018282800000000, -0.0000861200000000, 0.0011540400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000614000000000, -0.0003015400000000, 0.0000885000000000 ] - [ -0.0000614000000000, -0.0003015400000000, -0.0000885000000000 ] - [ -0.0005935000000000, 0.0029795300000000, 0.0008736600000000 ] - [ -0.0002189200000000, 0.0005834700000000, 0.0003246400000000 ] - [ 0.0000000000000000, 0.0130008600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010020100000000, 0.0000000000000000 ] - [ 0.0002189200000000, 0.0005834700000000, -0.0003246400000000 ] - [ 0.0005935000000000, 0.0029795300000000, -0.0008736600000000 ] - [ 0.0007412100000000, -0.0050288600000000, -0.0004268900000000 ] - [ -0.0002945000000000, -0.0001418200000000, 0.0006800700000000 ] - [ -0.0000713700000000, 0.0001293100000000, 0.0005736400000000 ] - [ 0.0029228800000000, 0.0007326900000000, 0.0050690700000000 ] - [ 0.0002945000000000, -0.0001418200000000, -0.0006800700000000 ] - [ -0.0007412100000000, -0.0050288600000000, 0.0004268900000000 ] - [ -0.0029228800000000, 0.0007326900000000, -0.0050690700000000 ] - [ 0.0000713700000000, 0.0001293100000000, -0.0005736400000000 ] - [ 0.0000000000000000, 0.0003877100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001504000000000, 0.0000000000000000 ] - [ 0.0005450800000000, -0.0004323600000000, 0.0000621700000000 ] - [ -0.0033638500000000, -0.0002115200000000, -0.0046461900000000 ] - [ 0.0069597400000000, 0.0002085500000000, 0.0015104400000000 ] - [ -0.0069597400000000, 0.0002085500000000, -0.0015104400000000 ] - [ 0.0033638500000000, -0.0002115200000000, 0.0046461900000000 ] - [ -0.0005450800000000, -0.0004323600000000, -0.0000621700000000 ] - [ 0.0002307400000000, 0.0003053000000000, -0.0000504500000000 ] - [ -0.0003689000000000, 0.0013249600000000, -0.0004450100000000 ] - [ 0.0014887300000000, 0.0017443900000000, -0.0020090600000000 ] - [ -0.0003858200000000, -0.0002037300000000, -0.0001734500000000 ] - [ 0.0003689000000000, 0.0013249600000000, 0.0004450100000000 ] - [ -0.0002307400000000, 0.0003053000000000, 0.0000504500000000 ] - [ 0.0003858200000000, -0.0002037300000000, 0.0001734500000000 ] - [ -0.0014887300000000, 0.0017443900000000, 0.0020090600000000 ] - [ -0.0224899900000000, 0.0099957000000000, -0.0056706900000000 ] - [ 0.0224899900000000, 0.0099957000000000, 0.0056706900000000 ] - [ 0.0000000000000000, -0.3953127900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029300800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010387500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000937900000000, 0.0000000000000000 ] - [ -0.0004756800000000, 0.0012226300000000, -0.0000022800000000 ] - [ 0.0004756800000000, 0.0012226300000000, 0.0000022800000000 ] - [ 0.0000000000000000, 0.0510139500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019168300000000, 0.0000000000000000 ] - [ 0.0023530000000000, 0.0033900100000000, 0.0006196100000000 ] - [ -0.0023530000000000, 0.0033900100000000, -0.0006196100000000 ] - [ 0.0011440600000000, 0.0005716900000000, 0.0000946500000000 ] - [ -0.0011440600000000, 0.0005716900000000, -0.0000946500000000 ] - [ 0.0000000000000000, -0.0014869900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006527400000000, 0.0000000000000000 ] - [ 0.0018125500000000, -0.0021825300000000, -0.0004999100000000 ] - [ 0.0000067200000000, -0.0014616000000000, -0.0024366700000000 ] - [ 0.0039262200000000, -0.0000007200000000, 0.0024599200000000 ] - [ 0.0221075300000000, 0.0646228800000000, -0.0247711400000000 ] - [ 0.0000309100000000, 0.0003883300000000, -0.0004076700000000 ] - [ -0.0000929700000000, 0.0017364300000000, -0.0001773500000000 ] - [ 0.0000929700000000, 0.0017364300000000, 0.0001773500000000 ] - [ -0.0000309100000000, 0.0003883300000000, 0.0004076700000000 ] - [ 0.0006375800000000, -0.0005925100000000, -0.0013520500000000 ] - [ 0.0000645700000000, -0.0001196600000000, -0.0002367600000000 ] - [ -0.0221075300000000, 0.0646228800000000, 0.0247711400000000 ] - [ -0.0039262200000000, -0.0000007200000000, -0.0024599200000000 ] - [ 0.0000635900000000, -0.0001059700000000, -0.0001393800000000 ] - [ -0.0001765000000000, -0.0002106300000000, -0.0008330500000000 ] - [ -0.0000645700000000, -0.0001196600000000, 0.0002367600000000 ] - [ -0.0006375800000000, -0.0005925100000000, 0.0013520500000000 ] - [ 0.0029850200000000, 0.0303668200000000, 0.0036651300000000 ] - [ 0.0004708400000000, 0.0005887100000000, -0.0002008700000000 ] - [ -0.0004708400000000, 0.0005887100000000, 0.0002008700000000 ] - [ -0.0029850200000000, 0.0303668200000000, -0.0036651300000000 ] - [ 0.0001765000000000, -0.0002106300000000, 0.0008330500000000 ] - [ -0.0000635900000000, -0.0001059700000000, 0.0001393800000000 ] - [ -0.0000067200000000, -0.0014616000000000, 0.0024366700000000 ] - [ -0.0018125500000000, -0.0021825300000000, 0.0004999100000000 ] - [ -0.0001401800000000, 0.0020753300000000, 0.0000698500000000 ] - [ -0.0186090400000000, 0.0668843600000000, 0.0233811700000000 ] - [ -0.0009839600000000, -0.0024178400000000, 0.0008788200000000 ] - [ 0.0008826900000000, -0.0010457400000000, 0.0008516900000000 ] - [ -0.0002369500000000, -0.0006235700000000, 0.0002842000000000 ] - [ -0.0000078100000000, -0.0009221800000000, 0.0001338100000000 ] - [ 0.0000078100000000, -0.0009221800000000, -0.0001338100000000 ] - [ 0.0002369500000000, -0.0006235700000000, -0.0002842000000000 ] - [ -0.0004981400000000, 0.0001978100000000, -0.0000877600000000 ] - [ 0.0005749400000000, -0.0000421100000000, 0.0016585600000000 ] - [ -0.0008826900000000, -0.0010457400000000, -0.0008516900000000 ] - [ 0.0009839600000000, -0.0024178400000000, -0.0008788200000000 ] - [ -0.0006297700000000, -0.0001461300000000, 0.0010972800000000 ] - [ 0.0003267800000000, 0.0002202800000000, -0.0000069500000000 ] - [ -0.0005749400000000, -0.0000421100000000, -0.0016585600000000 ] - [ 0.0004981400000000, 0.0001978100000000, 0.0000877600000000 ] - [ -0.0013829200000000, 0.0003163400000000, -0.0004878300000000 ] - [ 0.0019924200000000, -0.0054559800000000, -0.0008297100000000 ] - [ -0.0019924200000000, -0.0054559800000000, 0.0008297100000000 ] - [ 0.0013829200000000, 0.0003163400000000, 0.0004878300000000 ] - [ -0.0003267800000000, 0.0002202800000000, 0.0000069500000000 ] - [ 0.0006297700000000, -0.0001461300000000, -0.0010972800000000 ] - [ 0.0186090400000000, 0.0668843600000000, -0.0233811700000000 ] - [ 0.0001401800000000, 0.0020753300000000, -0.0000698500000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000608700000000, 0.0002671000000000, -0.0000873800000000 ] - [ 0.0000608700000000, 0.0002671000000000, 0.0000873800000000 ] - [ 0.0003631500000000, -0.0029400600000000, -0.0008666400000000 ] - [ -0.0000169800000000, -0.0005400400000000, -0.0003160900000000 ] - [ 0.0000000000000000, -0.0131061700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009593500000000, 0.0000000000000000 ] - [ 0.0000169800000000, -0.0005400400000000, 0.0003160900000000 ] - [ -0.0003631500000000, -0.0029400600000000, 0.0008666400000000 ] - [ -0.0004920900000000, 0.0049928300000000, 0.0003879200000000 ] - [ 0.0004984000000000, 0.0000955900000000, -0.0007112500000000 ] - [ 0.0000755400000000, -0.0001273800000000, -0.0005759800000000 ] - [ -0.0029311500000000, -0.0007393100000000, -0.0051034000000000 ] - [ -0.0004984000000000, 0.0000955900000000, 0.0007112500000000 ] - [ 0.0004920900000000, 0.0049928300000000, -0.0003879200000000 ] - [ 0.0029311500000000, -0.0007393100000000, 0.0051034000000000 ] - [ -0.0000755400000000, -0.0001273800000000, 0.0005759800000000 ] - [ 0.0000000000000000, -0.0004217600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001857600000000, 0.0000000000000000 ] - [ -0.0007775000000000, 0.0004728000000000, -0.0000552200000000 ] - [ 0.0031319700000000, 0.0002698000000000, 0.0046182600000000 ] - [ -0.0069151100000000, -0.0001546300000000, -0.0015205300000000 ] - [ 0.0069151100000000, -0.0001546300000000, 0.0015205300000000 ] - [ -0.0031319700000000, 0.0002698000000000, -0.0046182600000000 ] - [ 0.0007775000000000, 0.0004728000000000, 0.0000552200000000 ] - [ 0.0000031700000000, -0.0003483900000000, 0.0000357300000000 ] - [ 0.0006052700000000, -0.0013699300000000, 0.0004299000000000 ] - [ -0.0014956800000000, -0.0017438900000000, 0.0020103100000000 ] - [ 0.0003832900000000, 0.0002054800000000, 0.0001694400000000 ] - [ -0.0006052700000000, -0.0013699300000000, -0.0004299000000000 ] - [ -0.0000031700000000, -0.0003483900000000, -0.0000357300000000 ] - [ -0.0003832900000000, 0.0002054800000000, -0.0001694400000000 ] - [ 0.0014956800000000, -0.0017438900000000, -0.0020103100000000 ] - [ 0.0227001900000000, -0.0100414100000000, 0.0053775500000000 ] - [ -0.0227001900000000, -0.0100414100000000, -0.0053775500000000 ] - [ 0.0000000000000000, 0.3922840900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027563600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009779800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000445400000000, 0.0000000000000000 ] - [ 0.0004713200000000, -0.0010748300000000, 0.0000038200000000 ] - [ -0.0004713200000000, -0.0010748300000000, -0.0000038200000000 ] - [ 0.0000000000000000, -0.0502694500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019656000000000, 0.0000000000000000 ] - [ -0.0023739700000000, -0.0035663200000000, -0.0006438800000000 ] - [ 0.0023739700000000, -0.0035663200000000, 0.0006438800000000 ] - [ -0.0011489400000000, -0.0006276800000000, -0.0000930400000000 ] - [ 0.0011489400000000, -0.0006276800000000, 0.0000930400000000 ] - [ 0.0000000000000000, 0.0016457400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007981200000000, 0.0000000000000000 ] - [ -0.0018827200000000, 0.0022385400000000, 0.0004548200000000 ] - [ -0.0000182600000000, 0.0015347000000000, 0.0023245700000000 ] - [ -0.0038338700000000, 0.0000534000000000, -0.0024276600000000 ] - [ -0.0240802800000000, -0.0665763400000000, 0.0266790600000000 ] - [ -0.0000688400000000, -0.0004282000000000, 0.0003617400000000 ] - [ 0.0000552700000000, -0.0017841800000000, 0.0001380200000000 ] - [ -0.0000552700000000, -0.0017841800000000, -0.0001380200000000 ] - [ 0.0000688400000000, -0.0004282000000000, -0.0003617400000000 ] - [ -0.0006173400000000, 0.0005752900000000, 0.0013141700000000 ] - [ -0.0000429500000000, 0.0001017500000000, 0.0002053300000000 ] - [ 0.0240802800000000, -0.0665763400000000, -0.0266790600000000 ] - [ 0.0038338700000000, 0.0000534000000000, 0.0024276600000000 ] - [ -0.0000529000000000, 0.0000618700000000, 0.0001689600000000 ] - [ 0.0001828400000000, 0.0001705000000000, 0.0008613200000000 ] - [ 0.0000429500000000, 0.0001017500000000, -0.0002053300000000 ] - [ 0.0006173400000000, 0.0005752900000000, -0.0013141700000000 ] - [ -0.0030108300000000, -0.0304452200000000, -0.0035651100000000 ] - [ -0.0004526400000000, -0.0005620100000000, 0.0002189700000000 ] - [ 0.0004526400000000, -0.0005620100000000, -0.0002189700000000 ] - [ 0.0030108300000000, -0.0304452200000000, 0.0035651100000000 ] - [ -0.0001828400000000, 0.0001705000000000, -0.0008613200000000 ] - [ 0.0000529000000000, 0.0000618700000000, -0.0001689600000000 ] - [ 0.0000182600000000, 0.0015347000000000, -0.0023245700000000 ] - [ 0.0018827200000000, 0.0022385400000000, -0.0004548200000000 ] - [ 0.0000894400000000, -0.0020249500000000, -0.0001070400000000 ] - [ 0.0170506600000000, -0.0635557100000000, -0.0210735400000000 ] - [ 0.0010255100000000, 0.0024322400000000, -0.0009089400000000 ] - [ -0.0008683800000000, 0.0010653100000000, -0.0009006000000000 ] - [ 0.0002039600000000, 0.0005811900000000, -0.0003327200000000 ] - [ -0.0000271200000000, 0.0008786000000000, -0.0001791900000000 ] - [ 0.0000271200000000, 0.0008786000000000, 0.0001791900000000 ] - [ -0.0002039600000000, 0.0005811900000000, 0.0003327200000000 ] - [ 0.0005184000000000, -0.0002187600000000, 0.0000531300000000 ] - [ -0.0005617700000000, 0.0000219400000000, -0.0016994000000000 ] - [ 0.0008683800000000, 0.0010653100000000, 0.0009006000000000 ] - [ -0.0010255100000000, 0.0024322400000000, 0.0009089400000000 ] - [ 0.0006443400000000, 0.0001019900000000, -0.0010698500000000 ] - [ -0.0003131300000000, -0.0002657500000000, 0.0000407300000000 ] - [ 0.0005617700000000, 0.0000219400000000, 0.0016994000000000 ] - [ -0.0005184000000000, -0.0002187600000000, -0.0000531300000000 ] - [ 0.0013934000000000, -0.0002805100000000, 0.0005055700000000 ] - [ -0.0020201600000000, 0.0055296300000000, 0.0008906900000000 ] - [ 0.0020201600000000, 0.0055296300000000, -0.0008906900000000 ] - [ -0.0013934000000000, -0.0002805100000000, -0.0005055700000000 ] - [ 0.0003131300000000, -0.0002657500000000, -0.0000407300000000 ] - [ -0.0006443400000000, 0.0001019900000000, 0.0010698500000000 ] - [ -0.0170506600000000, -0.0635557100000000, 0.0210735400000000 ] - [ -0.0000894400000000, -0.0020249500000000, 0.0001070400000000 ]- atom: 35 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ 0.0000526300000000, -0.0000216200000000, 0.0003016600000000 ] - [ 0.0000490100000000, -0.0000138200000000, 0.0002998200000000 ] - [ -0.0008109900000000, 0.0009735500000000, 0.0010138800000000 ] - [ 0.0000380600000000, -0.0001002000000000, -0.0001089700000000 ] - [ 0.0013530000000000, -0.0000012800000000, -0.0030683600000000 ] - [ -0.0000365700000000, 0.0000182400000000, 0.0003813100000000 ] - [ 0.0002758000000000, 0.0001418400000000, -0.0001229300000000 ] - [ -0.0005872800000000, -0.0009420100000000, 0.0010058900000000 ] - [ -0.0046678300000000, 0.0001876900000000, 0.0058485100000000 ] - [ 0.0006388600000000, 0.0003840500000000, 0.0005871400000000 ] - [ -0.0004150600000000, 0.0001590100000000, -0.0001289800000000 ] - [ 0.0030181900000000, 0.0033504200000000, 0.0049904500000000 ] - [ 0.0004287200000000, -0.0004271300000000, 0.0006078100000000 ] - [ -0.0049507200000000, -0.0002359600000000, 0.0059193900000000 ] - [ 0.0030472000000000, -0.0033788700000000, 0.0050377700000000 ] - [ -0.0004173000000000, -0.0001608000000000, -0.0001330300000000 ] - [ 0.0000123100000000, -0.0000174200000000, 0.0000726900000000 ] - [ -0.0000074700000000, -0.0000180100000000, -0.0000198500000000 ] - [ -0.0004685300000000, -0.0000438300000000, 0.0001560800000000 ] - [ 0.0024740500000000, -0.0034199900000000, 0.0049828700000000 ] - [ -0.0018691200000000, -0.0002976500000000, -0.0028618600000000 ] - [ -0.0018847000000000, 0.0003494000000000, -0.0028655900000000 ] - [ 0.0027228800000000, 0.0034998000000000, 0.0050162900000000 ] - [ -0.0002376800000000, 0.0000848700000000, 0.0001443700000000 ] - [ 0.0001498500000000, -0.0001537100000000, -0.0000604600000000 ] - [ 0.0002275500000000, 0.0000806400000000, 0.0000744700000000 ] - [ -0.0003750800000000, -0.0010692600000000, 0.0009657400000000 ] - [ 0.0001362900000000, -0.0002190800000000, 0.0001048500000000 ] - [ -0.0000111900000000, -0.0001250200000000, 0.0000789000000000 ] - [ -0.0000853200000000, 0.0001143600000000, -0.0000534700000000 ] - [ 0.0001377300000000, 0.0002195900000000, 0.0001019300000000 ] - [ -0.0003726200000000, 0.0010820100000000, 0.0009629500000000 ] - [ -0.0093765600000000, -0.0019147400000000, -0.0101642000000000 ] - [ -0.0092935200000000, 0.0018887600000000, -0.0100852600000000 ] - [ 0.0677593100000000, -0.0000238800000000, -0.3281655100000000 ] - [ -0.0013184800000000, -0.0000841100000000, -0.0004471200000000 ] - [ -0.0010810000000000, -0.0000393800000000, 0.0011573800000000 ] - [ 0.0001442500000000, -0.0000292300000000, -0.0000116300000000 ] - [ 0.0000458100000000, 0.0001483100000000, 0.0001569400000000 ] - [ 0.0000411700000000, -0.0000104400000000, 0.0001533500000000 ] - [ 0.0077648800000000, -0.0000345700000000, -0.0125385300000000 ] - [ -0.0004300600000000, 0.0000320300000000, -0.0009231600000000 ] - [ 0.0004122200000000, -0.0002854200000000, -0.0004905400000000 ] - [ 0.0004147400000000, 0.0001433200000000, -0.0004751200000000 ] - [ -0.0000478600000000, -0.0000758000000000, 0.0002335000000000 ] - [ -0.0000503900000000, 0.0000234800000000, 0.0002314500000000 ] - [ -0.0008445600000000, 0.0000828500000000, 0.0012185800000000 ] - [ 0.0003863500000000, 0.0000701700000000, 0.0002080400000000 ] - [ -0.0007058900000000, 0.0005078200000000, 0.0009157900000000 ] - [ 0.0000610200000000, -0.0014874800000000, 0.0019751400000000 ] - [ 0.0026928900000000, 0.0008213700000000, 0.0021666900000000 ] - [ -0.0260450600000000, -0.0347223400000000, 0.0559828100000000 ] - [ -0.0000196800000000, -0.0000630500000000, -0.0000423000000000 ] - [ 0.0007046100000000, -0.0000994800000000, -0.0027924100000000 ] - [ 0.0007303800000000, 0.0000589100000000, -0.0027522800000000 ] - [ 0.0000050100000000, 0.0000273800000000, 0.0000246100000000 ] - [ 0.0001528400000000, -0.0002128300000000, -0.0005756500000000 ] - [ -0.0002359500000000, -0.0000412500000000, -0.0001395600000000 ] - [ -0.0247498200000000, 0.0326780800000000, 0.0550097700000000 ] - [ 0.0026179100000000, -0.0007754000000000, 0.0021754700000000 ] - [ -0.0000473800000000, -0.0000245200000000, 0.0000913300000000 ] - [ 0.0001719500000000, 0.0002042200000000, -0.0009399000000000 ] - [ -0.0002507900000000, 0.0000115700000000, -0.0000852900000000 ] - [ 0.0001456300000000, 0.0001885300000000, -0.0005151900000000 ] - [ 0.0224717000000000, 0.0002074200000000, 0.0487688400000000 ] - [ 0.0016677100000000, 0.0005809300000000, 0.0013772900000000 ] - [ 0.0016530600000000, -0.0005403200000000, 0.0013677100000000 ] - [ 0.0214546900000000, -0.0001170800000000, 0.0484275000000000 ] - [ 0.0001635600000000, -0.0002228000000000, -0.0009473300000000 ] - [ -0.0000532400000000, -0.0000053400000000, 0.0000850600000000 ] - [ 0.0001022500000000, 0.0015223200000000, 0.0020381600000000 ] - [ -0.0006751300000000, -0.0004600100000000, 0.0009793400000000 ] - [ -0.0002740700000000, -0.0006927900000000, 0.0000216700000000 ] - [ -0.0256287400000000, 0.0360429000000000, 0.0571724000000000 ] - [ -0.0001022800000000, -0.0005741100000000, 0.0008527600000000 ] - [ 0.0008468600000000, -0.0005686700000000, 0.0006141800000000 ] - [ 0.0000871400000000, -0.0000394400000000, -0.0001377200000000 ] - [ 0.0000853500000000, -0.0000550400000000, -0.0001503300000000 ] - [ 0.0001046700000000, 0.0000152700000000, -0.0000820700000000 ] - [ 0.0001071900000000, 0.0000004600000000, -0.0000676100000000 ] - [ -0.0000416300000000, 0.0000028000000000, -0.0000900800000000 ] - [ 0.0002386400000000, -0.0001810900000000, -0.0008140400000000 ] - [ 0.0008379000000000, 0.0005971500000000, 0.0006740300000000 ] - [ -0.0001257000000000, 0.0005978000000000, 0.0009035400000000 ] - [ 0.0001044800000000, 0.0003057400000000, -0.0008083400000000 ] - [ -0.0003843600000000, 0.0001226100000000, -0.0004896100000000 ] - [ 0.0002300300000000, 0.0001399200000000, -0.0007521600000000 ] - [ -0.0000500100000000, -0.0000336100000000, -0.0000327900000000 ] - [ -0.0003374700000000, 0.0001448500000000, -0.0000407300000000 ] - [ -0.0021537000000000, 0.0027255400000000, 0.0032271000000000 ] - [ -0.0021213200000000, -0.0026285600000000, 0.0031850400000000 ] - [ -0.0003522400000000, -0.0001183100000000, -0.0000556500000000 ] - [ -0.0003966600000000, -0.0001543900000000, -0.0005015500000000 ] - [ 0.0000995300000000, -0.0003432500000000, -0.0008175300000000 ] - [ -0.0246313700000000, -0.0339690700000000, 0.0562217400000000 ] - [ -0.0002454900000000, 0.0007354900000000, 0.0000827500000000 ]- atom: 49 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ 0.0001045100000000, 0.0000833000000000, 0.0002344500000000 ] - [ -0.0000889700000000, 0.0000075500000000, -0.0000526700000000 ] - [ 0.0000706500000000, -0.0000023300000000, -0.0003984800000000 ] - [ -0.0001809200000000, 0.0000140500000000, 0.0000509600000000 ] - [ 0.0171043900000000, -0.0000180900000000, 0.0089631000000000 ] - [ -0.0004283500000000, 0.0000154700000000, 0.0003081700000000 ] - [ 0.0129375000000000, -0.0003236100000000, 0.0105611300000000 ] - [ -0.0012663300000000, 0.0000024300000000, 0.0005935800000000 ] - [ 0.0009300900000000, 0.0001531700000000, 0.0004390500000000 ] - [ -0.0001250500000000, 0.0001256900000000, 0.0001136500000000 ] - [ -0.0001806500000000, 0.0004674500000000, 0.0004107000000000 ] - [ -0.0000709900000000, 0.0000123800000000, -0.0000960400000000 ] - [ 0.0002414800000000, 0.0000358900000000, -0.0000964500000000 ] - [ -0.0004298800000000, 0.0001387200000000, -0.0000005600000000 ] - [ 0.0014702800000000, 0.0004724900000000, -0.0001494800000000 ] - [ -0.0002562100000000, 0.0000221600000000, -0.0001661800000000 ] - [ -0.0000899800000000, -0.0001180500000000, 0.0001731800000000 ] - [ 0.0000164500000000, -0.0000154500000000, -0.0000928800000000 ] - [ -0.0006406900000000, 0.0000627100000000, 0.0011219900000000 ] - [ -0.0002282900000000, 0.0000516700000000, -0.0000290200000000 ] - [ 0.0009247000000000, 0.0000314300000000, -0.0009421700000000 ] - [ -0.0003776500000000, 0.0000252800000000, 0.0000112500000000 ] - [ 0.0002015400000000, 0.0000520400000000, 0.0000654000000000 ] - [ 0.0000625700000000, 0.0000261000000000, -0.0002329200000000 ] - [ -0.0000894600000000, -0.0004609800000000, 0.0003956700000000 ] - [ 0.0000505500000000, -0.0000668000000000, -0.0001346000000000 ] - [ 0.0007572900000000, -0.0001528700000000, 0.0003997000000000 ] - [ -0.0002271400000000, -0.0001471900000000, 0.0001206600000000 ] - [ 0.0011629300000000, -0.0006763900000000, 0.0000974800000000 ] - [ -0.0003749500000000, -0.0000402300000000, -0.0001591100000000 ] - [ 0.0003392000000000, -0.0000284800000000, -0.0001215400000000 ] - [ -0.0003225400000000, -0.0001628400000000, 0.0000003900000000 ] - [ 0.0431085500000000, 0.0182328300000000, -0.0182873400000000 ] - [ -0.0018399300000000, 0.0001126900000000, -0.0005698500000000 ] - [ -0.0004980800000000, 0.0017814000000000, -0.0007841800000000 ] - [ -0.0030860500000000, -0.0000588100000000, -0.0004540300000000 ] - [ -0.0004171700000000, 0.0006747100000000, 0.0003211300000000 ] - [ 0.0002246000000000, 0.0000849700000000, -0.0001942000000000 ] - [ 0.0008201400000000, 0.0001374300000000, 0.0008679600000000 ] - [ -0.0004249400000000, 0.0000135000000000, -0.0000810200000000 ] - [ -0.0004365900000000, -0.0017942500000000, -0.0008025300000000 ] - [ -0.0031308700000000, 0.0000671000000000, -0.0003924500000000 ] - [ 0.0426056200000000, -0.0180624000000000, -0.0181128700000000 ] - [ -0.0018405800000000, -0.0001737700000000, -0.0005897700000000 ] - [ 0.0000400700000000, -0.0003639800000000, 0.0003836900000000 ] - [ -0.0002084600000000, -0.0001464600000000, -0.0000633500000000 ] - [ 0.0001510400000000, 0.0002809500000000, 0.0001242000000000 ] - [ -0.0000496100000000, 0.0000517800000000, 0.0000890200000000 ] - [ -0.1074616800000000, 0.0001659400000000, 0.0305743300000000 ] - [ 0.0002740100000000, 0.0000290600000000, -0.0000957000000000 ] - [ 0.0004151500000000, 0.0019580700000000, -0.0020143800000000 ] - [ 0.0030499900000000, -0.0021144300000000, 0.0011691000000000 ] - [ 0.0001338800000000, -0.0001022800000000, -0.0003209900000000 ] - [ 0.0001320200000000, -0.0003946100000000, -0.0001933300000000 ] - [ 0.0001578800000000, -0.0002959300000000, -0.0002969900000000 ] - [ -0.0000103500000000, -0.0001279700000000, 0.0001855900000000 ] - [ -0.0001017500000000, -0.0001399200000000, -0.0002526100000000 ] - [ -0.0000418000000000, -0.0000418200000000, -0.0000860100000000 ] - [ -0.0034200100000000, -0.0042830700000000, 0.0011376200000000 ] - [ 0.0010559400000000, -0.0001082800000000, 0.0004570400000000 ] - [ -0.0003711600000000, -0.0001009000000000, -0.0002644000000000 ] - [ 0.0002843300000000, 0.0000532100000000, 0.0000479300000000 ] - [ -0.0008268300000000, 0.0001794000000000, -0.0000321200000000 ] - [ 0.0001352000000000, 0.0000102600000000, -0.0000585300000000 ] - [ -0.0006939800000000, -0.0013013900000000, 0.0019551800000000 ] - [ 0.0015801800000000, -0.0002792000000000, 0.0007051900000000 ] - [ -0.0041277100000000, 0.0083016900000000, -0.0052938300000000 ] - [ 0.0002925800000000, 0.0000233900000000, 0.0000162400000000 ] - [ 0.0004326500000000, -0.0006207500000000, -0.0022376400000000 ] - [ 0.0004965400000000, -0.0000350900000000, 0.0004399200000000 ] - [ 0.0037565800000000, 0.0001402700000000, -0.0053226300000000 ] - [ 0.0009912000000000, 0.0000421600000000, 0.0000368600000000 ] - [ 0.0002109800000000, -0.0000020300000000, 0.0000454500000000 ] - [ 0.0002123700000000, 0.0000068500000000, -0.0000286900000000 ] - [ -0.0007659100000000, 0.0012907600000000, 0.0019114800000000 ] - [ 0.0016147100000000, 0.0003129300000000, 0.0006701400000000 ] - [ -0.0000629200000000, 0.0001363000000000, -0.0002813300000000 ] - [ 0.0000184800000000, 0.0000615400000000, -0.0000474600000000 ] - [ -0.0003565600000000, 0.0001159000000000, -0.0004496100000000 ] - [ 0.0001675500000000, 0.0000880300000000, -0.0000279400000000 ] - [ -0.0000011600000000, 0.0000341700000000, -0.0004747300000000 ] - [ 0.0001346400000000, -0.0000951400000000, -0.0000247000000000 ] - [ -0.0041493300000000, -0.0083204400000000, -0.0051537300000000 ] - [ 0.0002843000000000, 0.0000123300000000, 0.0000671900000000 ] - [ -0.0002694900000000, 0.0001270900000000, -0.0006039900000000 ] - [ 0.0001002500000000, 0.0000408100000000, -0.0000673300000000 ] - [ -0.0001095100000000, 0.0001833600000000, -0.0002532000000000 ] - [ 0.0001144900000000, 0.0000286500000000, 0.0001545000000000 ] - [ 0.0004946900000000, -0.0019672700000000, -0.0019627900000000 ] - [ 0.0030513600000000, 0.0021529400000000, 0.0012289800000000 ] - [ -0.0033843600000000, 0.0042876700000000, 0.0011609000000000 ] - [ 0.0010455200000000, 0.0001459000000000, 0.0004116500000000 ] - [ -0.0000977600000000, -0.0000010300000000, -0.0000257700000000 ] - [ -0.0000310900000000, -0.0000167200000000, -0.0000150000000000 ] - [ -0.0007305300000000, -0.0000005100000000, 0.0006832400000000 ] - [ 0.0003626500000000, -0.0000042900000000, -0.0000159600000000 ]- atom: 49 displacement: [ -0.0099999959968920, 0.0000000000000000, -0.0000089477451717 ] forces: - [ -0.0001053300000000, -0.0001247700000000, -0.0002362800000000 ] - [ 0.0000891800000000, -0.0000485500000000, 0.0000529000000000 ] - [ -0.0003026700000000, 0.0000433200000000, 0.0004006500000000 ] - [ -0.0000500000000000, 0.0000278900000000, -0.0000453000000000 ] - [ -0.0179960300000000, 0.0000611200000000, -0.0095823800000000 ] - [ 0.0004162000000000, 0.0000256600000000, -0.0002988900000000 ] - [ -0.0123343300000000, 0.0003517100000000, -0.0101223700000000 ] - [ 0.0015081300000000, 0.0000408600000000, -0.0006108500000000 ] - [ -0.0007044400000000, -0.0001925800000000, -0.0004509400000000 ] - [ 0.0003543600000000, -0.0001665100000000, -0.0001204400000000 ] - [ 0.0001828200000000, -0.0004695300000000, -0.0004133100000000 ] - [ 0.0000696300000000, -0.0000121800000000, 0.0000947400000000 ] - [ -0.0004713500000000, -0.0000782000000000, 0.0001113800000000 ] - [ 0.0002017500000000, -0.0001840000000000, 0.0000162800000000 ] - [ -0.0014915100000000, -0.0004151700000000, 0.0002070700000000 ] - [ 0.0002546500000000, -0.0000248000000000, 0.0001665600000000 ] - [ 0.0000904400000000, 0.0000782700000000, -0.0001748400000000 ] - [ -0.0000164700000000, -0.0000253900000000, 0.0000916700000000 ] - [ 0.0004170500000000, -0.0000216300000000, -0.0011235000000000 ] - [ -0.0000016300000000, -0.0000095100000000, 0.0000344700000000 ] - [ -0.0009281400000000, 0.0000103000000000, 0.0009458400000000 ] - [ 0.0003763200000000, 0.0000159900000000, -0.0000131900000000 ] - [ 0.0000268200000000, -0.0000086100000000, -0.0000780700000000 ] - [ 0.0001649100000000, 0.0000184400000000, 0.0002208600000000 ] - [ 0.0003223700000000, 0.0004222600000000, -0.0004044700000000 ] - [ 0.0001785900000000, 0.0000256400000000, 0.0001273800000000 ] - [ -0.0007623400000000, 0.0001517900000000, -0.0004050700000000 ] - [ 0.0002263500000000, 0.0001457800000000, -0.0001207200000000 ] - [ -0.0014161000000000, 0.0005755900000000, -0.0000275300000000 ] - [ 0.0001445800000000, -0.0000015600000000, 0.0001732500000000 ] - [ -0.0003384700000000, 0.0000276300000000, 0.0001232700000000 ] - [ 0.0003231300000000, 0.0001644600000000, 0.0000011700000000 ] - [ -0.0432089600000000, -0.0177722200000000, 0.0179523500000000 ] - [ 0.0018499800000000, -0.0000537300000000, 0.0005723700000000 ] - [ 0.0005031500000000, -0.0019291800000000, 0.0007910600000000 ] - [ 0.0030908000000000, -0.0000870800000000, 0.0004659000000000 ] - [ 0.0004206800000000, -0.0007462500000000, -0.0003251300000000 ] - [ -0.0002250400000000, -0.0001463800000000, 0.0001957000000000 ] - [ -0.0008313200000000, 0.0000012700000000, -0.0008752500000000 ] - [ 0.0004274200000000, 0.0001266800000000, 0.0000824400000000 ] - [ 0.0004413600000000, 0.0018675500000000, 0.0008096700000000 ] - [ 0.0031354300000000, 0.0000037300000000, 0.0004044200000000 ] - [ -0.0427103000000000, 0.0175345200000000, 0.0177882300000000 ] - [ 0.0018522600000000, 0.0000401300000000, 0.0005940400000000 ] - [ -0.0000447900000000, 0.0002980300000000, -0.0003872400000000 ] - [ 0.0002080200000000, 0.0000854400000000, 0.0000640800000000 ] - [ -0.0001483900000000, -0.0001468300000000, -0.0001264800000000 ] - [ 0.0000476600000000, 0.0000820300000000, -0.0000876100000000 ] - [ 0.1081080600000000, -0.0001412000000000, -0.0295785600000000 ] - [ -0.0002886400000000, 0.0000060800000000, 0.0000223500000000 ] - [ -0.0003607500000000, -0.0018489500000000, 0.0019247300000000 ] - [ -0.0030660000000000, 0.0021714200000000, -0.0012456100000000 ] - [ -0.0001484900000000, 0.0000688700000000, 0.0002505300000000 ] - [ -0.0001498300000000, 0.0003652400000000, 0.0001268100000000 ] - [ -0.0001465700000000, 0.0002658900000000, 0.0003719700000000 ] - [ 0.0000240200000000, 0.0000955500000000, -0.0001150300000000 ] - [ 0.0001066100000000, 0.0001035400000000, 0.0001885500000000 ] - [ 0.0000444500000000, 0.0000054800000000, 0.0000198500000000 ] - [ 0.0034174200000000, 0.0043421500000000, -0.0011007200000000 ] - [ -0.0010662000000000, 0.0001494900000000, -0.0003917400000000 ] - [ 0.0003836700000000, 0.0000753800000000, 0.0002811400000000 ] - [ -0.0002769800000000, -0.0000804100000000, -0.0000338500000000 ] - [ 0.0008199200000000, -0.0002179300000000, 0.0000887600000000 ] - [ -0.0001389400000000, -0.0000473900000000, 0.0001237500000000 ] - [ 0.0007078000000000, 0.0013343100000000, -0.0019511200000000 ] - [ -0.0015805700000000, 0.0003089900000000, -0.0007014600000000 ] - [ 0.0041286100000000, -0.0081873000000000, 0.0052242800000000 ] - [ -0.0003011200000000, 0.0000035300000000, -0.0000253800000000 ] - [ -0.0004491700000000, 0.0006023000000000, 0.0022528400000000 ] - [ -0.0005041600000000, 0.0000078400000000, -0.0004506100000000 ] - [ -0.0037109200000000, -0.0001069200000000, 0.0052899200000000 ] - [ -0.0009852800000000, -0.0000073300000000, 0.0000339900000000 ] - [ -0.0002243600000000, 0.0000371200000000, -0.0001198000000000 ] - [ -0.0002244200000000, 0.0000271400000000, -0.0000517300000000 ] - [ 0.0007742300000000, -0.0012580200000000, -0.0019835100000000 ] - [ -0.0016225800000000, -0.0002796200000000, -0.0007403500000000 ] - [ 0.0000471000000000, -0.0001707200000000, 0.0002134600000000 ] - [ -0.0000339300000000, -0.0000972300000000, -0.0000211600000000 ] - [ 0.0003765100000000, -0.0001477800000000, 0.0005191800000000 ] - [ -0.0001524100000000, -0.0001243000000000, 0.0000966000000000 ] - [ 0.0000042700000000, -0.0000711300000000, 0.0004118400000000 ] - [ -0.0001328100000000, 0.0000616900000000, -0.0000384000000000 ] - [ 0.0041573000000000, 0.0082707700000000, 0.0051635800000000 ] - [ -0.0002875700000000, 0.0000234300000000, 0.0000010400000000 ] - [ 0.0002808000000000, -0.0001523000000000, 0.0006165700000000 ] - [ -0.0000922600000000, -0.0000675400000000, 0.0000792500000000 ] - [ 0.0001071500000000, -0.0002233500000000, 0.0003196000000000 ] - [ -0.0001170100000000, -0.0000655000000000, -0.0000922800000000 ] - [ -0.0004339100000000, 0.0019213200000000, 0.0019459800000000 ] - [ -0.0030616000000000, -0.0021461200000000, -0.0012322700000000 ] - [ 0.0033767500000000, -0.0042819000000000, -0.0012013300000000 ] - [ -0.0010624100000000, -0.0001227200000000, -0.0004255000000000 ] - [ 0.0000874400000000, -0.0000262100000000, 0.0000159500000000 ] - [ 0.0000203300000000, -0.0000099400000000, 0.0000036100000000 ] - [ 0.0007477700000000, 0.0000345000000000, -0.0006140600000000 ] - [ -0.0003377500000000, 0.0000383300000000, 0.0000704700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000273300000000, -0.0002034500000000, 0.0000447300000000 ] - [ -0.0000178100000000, -0.0001009000000000, -0.0000203400000000 ] - [ -0.0001311400000000, 0.0007612800000000, -0.0000142700000000 ] - [ -0.0000987800000000, 0.0004126900000000, -0.0000383800000000 ] - [ 0.0000199900000000, 0.0010218300000000, 0.0000041000000000 ] - [ -0.0000127700000000, 0.0008919200000000, 0.0000005000000000 ] - [ -0.0002540500000000, 0.0010480800000000, -0.0002242100000000 ] - [ 0.0000738800000000, 0.0006256300000000, 0.0000316400000000 ] - [ 0.0012597500000000, -0.0004901400000000, 0.0010952500000000 ] - [ -0.0000305200000000, -0.0002397700000000, 0.0002054700000000 ] - [ -0.0004205500000000, 0.0012177200000000, 0.0008484900000000 ] - [ 0.0001219300000000, 0.0001293000000000, 0.0002287900000000 ] - [ -0.0005354100000000, -0.0007260700000000, -0.0004711000000000 ] - [ -0.0001868600000000, -0.0002984000000000, -0.0002914600000000 ] - [ -0.0013347500000000, 0.0033517100000000, 0.0018302500000000 ] - [ -0.0000527400000000, 0.0003009300000000, -0.0003373500000000 ] - [ -0.0000958000000000, 0.0000739500000000, 0.0000747800000000 ] - [ 0.0001090600000000, 0.0000783100000000, 0.0000183000000000 ] - [ -0.0001083000000000, -0.0030024300000000, 0.0000639500000000 ] - [ -0.0001218100000000, -0.0002933700000000, 0.0000231600000000 ] - [ -0.0000146700000000, -0.0028543100000000, 0.0000149600000000 ] - [ 0.0000099000000000, -0.0008180100000000, -0.0000048300000000 ] - [ 0.0001216600000000, -0.0008957700000000, -0.0000510700000000 ] - [ 0.0001144800000000, -0.0005964900000000, -0.0000265100000000 ] - [ 0.0005712800000000, 0.0012172900000000, -0.0008287500000000 ] - [ -0.0000306800000000, 0.0001568500000000, -0.0002759100000000 ] - [ -0.0011297000000000, -0.0003586700000000, -0.0009824400000000 ] - [ 0.0001875300000000, -0.0001724800000000, -0.0002215100000000 ] - [ 0.0007911600000000, 0.0027404000000000, -0.0012993100000000 ] - [ -0.0000674600000000, 0.0003296700000000, 0.0003922600000000 ] - [ 0.0004153400000000, -0.0006325100000000, 0.0004341800000000 ] - [ 0.0000524000000000, -0.0002408200000000, 0.0002825400000000 ] - [ 0.0239928300000000, 0.0678163700000000, -0.0332510800000000 ] - [ -0.0001068300000000, 0.0020263800000000, 0.0007013100000000 ] - [ 0.0008587900000000, -0.0022798000000000, 0.0006438700000000 ] - [ -0.0040524700000000, -0.0015600200000000, -0.0022696300000000 ] - [ 0.0001463900000000, 0.0000613200000000, -0.0001034600000000 ] - [ -0.0007499500000000, 0.0003280600000000, 0.0000259400000000 ] - [ -0.0000895200000000, 0.0018331100000000, 0.0000756500000000 ] - [ -0.0000496200000000, 0.0004794200000000, 0.0000382400000000 ] - [ -0.0008804600000000, -0.0021136400000000, -0.0006199400000000 ] - [ 0.0040078400000000, -0.0013923000000000, 0.0021764200000000 ] - [ -0.0224261000000000, 0.0636549500000000, 0.0305549000000000 ] - [ 0.0001040600000000, 0.0019774100000000, -0.0007044800000000 ] - [ -0.0004697200000000, -0.0008013800000000, -0.0001316300000000 ] - [ -0.0000069200000000, -0.0000277800000000, 0.0000544400000000 ] - [ -0.0002072500000000, -0.0005292200000000, -0.0000167600000000 ] - [ 0.0000963600000000, -0.0008297500000000, 0.0000544100000000 ] - [ -0.0011329500000000, -0.1429280400000000, 0.0022013000000000 ] - [ 0.0000087100000000, -0.0010308200000000, -0.0000558300000000 ] - [ 0.0009603000000000, 0.0007911700000000, -0.0004027500000000 ] - [ -0.0016181800000000, 0.0005873000000000, -0.0008636100000000 ] - [ 0.0003790300000000, 0.0002276400000000, -0.0006361600000000 ] - [ 0.0000833200000000, 0.0002250800000000, -0.0003512600000000 ] - [ -0.0002780100000000, 0.0004036100000000, 0.0005501400000000 ] - [ -0.0001086300000000, 0.0003159700000000, 0.0003323700000000 ] - [ 0.0000543200000000, -0.0005630000000000, -0.0006397600000000 ] - [ 0.0004216600000000, -0.0002117700000000, -0.0000310100000000 ] - [ -0.0011599800000000, 0.0000401700000000, -0.0004337200000000 ] - [ -0.0000061600000000, -0.0000545600000000, 0.0000403400000000 ] - [ -0.0000008400000000, -0.0002995000000000, -0.0000433600000000 ] - [ -0.0000265600000000, -0.0001540400000000, 0.0000308600000000 ] - [ 0.0008078300000000, -0.0003294700000000, 0.0018498000000000 ] - [ -0.0000864900000000, -0.0001701300000000, 0.0002046300000000 ] - [ 0.0001013700000000, 0.0019778700000000, -0.0006174500000000 ] - [ 0.0033050200000000, -0.0006015900000000, 0.0019542900000000 ] - [ 0.0053791000000000, 0.0047011500000000, -0.0080191100000000 ] - [ -0.0006760600000000, -0.0001335000000000, -0.0003958700000000 ] - [ -0.0000386500000000, -0.0007812700000000, 0.0002078200000000 ] - [ 0.0000605600000000, -0.0002708400000000, -0.0000726400000000 ] - [ -0.0001711600000000, -0.0054024700000000, 0.0002523800000000 ] - [ -0.0000163400000000, -0.0017364900000000, 0.0000800200000000 ] - [ -0.0000157000000000, 0.0017172500000000, -0.0000297100000000 ] - [ -0.0000217000000000, 0.0017168500000000, -0.0000109300000000 ] - [ -0.0000761700000000, 0.0019495600000000, 0.0005556500000000 ] - [ -0.0033746700000000, -0.0006283700000000, -0.0020118100000000 ] - [ -0.0001585900000000, -0.0005840100000000, 0.0006810500000000 ] - [ -0.0000830700000000, -0.0002027500000000, 0.0001100900000000 ] - [ 0.0001372000000000, 0.0003543300000000, -0.0019358000000000 ] - [ 0.0001112800000000, -0.0002609300000000, -0.0002445500000000 ] - [ -0.0003416700000000, 0.0004788200000000, 0.0005629800000000 ] - [ -0.0000206200000000, 0.0001739900000000, 0.0001788200000000 ] - [ -0.0050315700000000, 0.0045715300000000, 0.0076429100000000 ] - [ 0.0006603300000000, -0.0001372700000000, 0.0004256300000000 ] - [ 0.0003379300000000, 0.0006678500000000, -0.0000633900000000 ] - [ -0.0000066900000000, 0.0000798700000000, -0.0000142300000000 ] - [ 0.0002995100000000, 0.0004526800000000, -0.0003912400000000 ] - [ 0.0000570900000000, 0.0002413300000000, -0.0002236300000000 ] - [ -0.0008961900000000, 0.0008247300000000, 0.0004498800000000 ] - [ 0.0016143600000000, 0.0005715300000000, 0.0008453600000000 ] - [ 0.0011552600000000, 0.0000537300000000, 0.0005030300000000 ] - [ 0.0000047800000000, -0.0000860100000000, 0.0000081600000000 ] - [ -0.0000951000000000, 0.0002432200000000, 0.0000138500000000 ] - [ 0.0000536300000000, 0.0001006100000000, 0.0000164000000000 ] - [ 0.0000175200000000, 0.0014943100000000, 0.0000208200000000 ] - [ 0.0000323400000000, 0.0005275500000000, 0.0000351500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000263900000000, 0.0001657400000000, -0.0000421600000000 ] - [ 0.0000166800000000, 0.0000627800000000, 0.0000198700000000 ] - [ -0.0000965800000000, -0.0007216000000000, 0.0000173300000000 ] - [ -0.0001341400000000, -0.0003723000000000, 0.0000470800000000 ] - [ 0.0000360200000000, -0.0009815400000000, 0.0000296400000000 ] - [ 0.0000175900000000, -0.0008513800000000, -0.0000046500000000 ] - [ 0.0004568000000000, -0.0010003500000000, 0.0001761100000000 ] - [ 0.0001410200000000, -0.0005842400000000, -0.0000429200000000 ] - [ -0.0010193600000000, 0.0004504800000000, -0.0010946400000000 ] - [ 0.0002583700000000, 0.0002006600000000, -0.0002100900000000 ] - [ 0.0004216500000000, -0.0012118400000000, -0.0008468100000000 ] - [ -0.0001230700000000, -0.0001290500000000, -0.0002284500000000 ] - [ 0.0003062600000000, 0.0006855700000000, 0.0004812400000000 ] - [ -0.0000468600000000, 0.0002577200000000, 0.0003037300000000 ] - [ 0.0012160300000000, -0.0031738600000000, -0.0016587800000000 ] - [ 0.0000518700000000, -0.0002989500000000, 0.0003335800000000 ] - [ 0.0000944900000000, -0.0001146900000000, -0.0000730000000000 ] - [ -0.0001076400000000, -0.0001186900000000, -0.0000179000000000 ] - [ -0.0001209200000000, 0.0030427200000000, -0.0000500100000000 ] - [ -0.0001105600000000, 0.0003345400000000, -0.0000158800000000 ] - [ 0.0000222900000000, 0.0028924800000000, -0.0000219600000000 ] - [ -0.0000126500000000, 0.0008579400000000, 0.0000055400000000 ] - [ 0.0001099300000000, 0.0009374400000000, 0.0000360500000000 ] - [ 0.0001148100000000, 0.0006390300000000, 0.0000096700000000 ] - [ -0.0003383800000000, -0.0012606900000000, 0.0008237300000000 ] - [ 0.0002613600000000, -0.0001967500000000, 0.0002689700000000 ] - [ 0.0011351900000000, 0.0003598100000000, 0.0009876200000000 ] - [ -0.0001913200000000, 0.0001717500000000, 0.0002234300000000 ] - [ -0.0011345400000000, -0.0029397600000000, 0.0014672300000000 ] - [ -0.0001627200000000, -0.0003730400000000, -0.0003815700000000 ] - [ -0.0004124100000000, 0.0006313800000000, -0.0004369600000000 ] - [ -0.0000555600000000, 0.0002400000000000, -0.0002840100000000 ] - [ -0.0227863800000000, -0.0647373200000000, 0.0313143300000000 ] - [ 0.0000925600000000, -0.0019620700000000, -0.0007004300000000 ] - [ -0.0008593000000000, 0.0021422900000000, -0.0006419700000000 ] - [ 0.0039737900000000, 0.0014370800000000, 0.0022000900000000 ] - [ -0.0001505000000000, -0.0001056100000000, 0.0001047100000000 ] - [ 0.0007546600000000, -0.0003816500000000, -0.0000217200000000 ] - [ 0.0000973400000000, -0.0016951300000000, -0.0000525900000000 ] - [ 0.0000500600000000, -0.0003427300000000, -0.0000371200000000 ] - [ 0.0008786200000000, 0.0021737300000000, 0.0006218700000000 ] - [ -0.0040852500000000, 0.0014379500000000, -0.0022458000000000 ] - [ 0.0236021100000000, -0.0667749500000000, -0.0324474800000000 ] - [ -0.0001174700000000, -0.0021183500000000, 0.0007067500000000 ] - [ 0.0004697000000000, 0.0007333000000000, 0.0001368800000000 ] - [ 0.0000044100000000, -0.0000325100000000, -0.0000547900000000 ] - [ 0.0002105100000000, 0.0006688100000000, 0.0000161400000000 ] - [ -0.0000992200000000, 0.0009663700000000, -0.0000520800000000 ] - [ -0.0014406400000000, 0.1428727600000000, 0.0014781200000000 ] - [ -0.0000165400000000, 0.0010658200000000, -0.0000178800000000 ] - [ -0.0009293700000000, -0.0007708100000000, 0.0003911200000000 ] - [ 0.0016238400000000, -0.0005575100000000, 0.0008050900000000 ] - [ -0.0003853100000000, -0.0002653800000000, 0.0005566100000000 ] - [ -0.0000912900000000, -0.0002679500000000, 0.0002750900000000 ] - [ 0.0002881200000000, -0.0004406100000000, -0.0004764900000000 ] - [ 0.0001186900000000, -0.0003526300000000, -0.0002571200000000 ] - [ -0.0000544200000000, 0.0005203600000000, 0.0005665200000000 ] - [ -0.0004213100000000, 0.0001719000000000, -0.0000378300000000 ] - [ 0.0011255000000000, -0.0000363000000000, 0.0005276900000000 ] - [ 0.0000151300000000, 0.0000918500000000, 0.0000259100000000 ] - [ 0.0000030600000000, 0.0002738600000000, 0.0000532100000000 ] - [ 0.0000347200000000, 0.0001287700000000, -0.0000180000000000 ] - [ -0.0008149300000000, 0.0002817100000000, -0.0017914200000000 ] - [ 0.0000875500000000, 0.0001292300000000, -0.0001388200000000 ] - [ -0.0000859900000000, -0.0019053800000000, 0.0005906500000000 ] - [ -0.0032683300000000, 0.0006230700000000, -0.0019278900000000 ] - [ -0.0051148400000000, -0.0045711100000000, 0.0078287000000000 ] - [ 0.0006720400000000, 0.0001611300000000, 0.0003830500000000 ] - [ 0.0000408700000000, 0.0007427500000000, -0.0002547400000000 ] - [ -0.0000709600000000, 0.0002441600000000, 0.0000583300000000 ] - [ 0.0000785700000000, 0.0054393400000000, -0.0000463800000000 ] - [ 0.0000361400000000, 0.0017714500000000, -0.0000097700000000 ] - [ 0.0000019600000000, -0.0016813300000000, -0.0000401500000000 ] - [ 0.0000149200000000, -0.0016815400000000, -0.0000642800000000 ] - [ 0.0000847900000000, -0.0019565800000000, -0.0006590800000000 ] - [ 0.0034031900000000, 0.0006750600000000, 0.0019580900000000 ] - [ 0.0001474200000000, 0.0005514000000000, -0.0007590400000000 ] - [ 0.0000730700000000, 0.0001681500000000, -0.0001830100000000 ] - [ -0.0001272000000000, -0.0003784400000000, 0.0020034200000000 ] - [ -0.0000989200000000, 0.0002272700000000, 0.0003174100000000 ] - [ 0.0003428900000000, -0.0005198000000000, -0.0006375500000000 ] - [ 0.0000226000000000, -0.0002136300000000, -0.0002460900000000 ] - [ 0.0052999700000000, -0.0046284100000000, -0.0077468100000000 ] - [ -0.0006585600000000, 0.0001773100000000, -0.0003558900000000 ] - [ -0.0003326300000000, -0.0006905700000000, 0.0000702100000000 ] - [ 0.0000153100000000, -0.0001044200000000, 0.0000274500000000 ] - [ -0.0003015000000000, -0.0004941500000000, 0.0004565500000000 ] - [ -0.0000553300000000, -0.0002815100000000, 0.0002908900000000 ] - [ 0.0009338000000000, -0.0007767500000000, -0.0003824600000000 ] - [ -0.0016024400000000, -0.0005332900000000, -0.0008260800000000 ] - [ -0.0011945200000000, 0.0000102400000000, -0.0004918600000000 ] - [ -0.0000016600000000, 0.0001166500000000, -0.0000239400000000 ] - [ 0.0000845200000000, -0.0002690700000000, -0.0000247500000000 ] - [ -0.0000630900000000, -0.0001254800000000, -0.0000279900000000 ] - [ -0.0000148800000000, -0.0014592100000000, 0.0000563700000000 ] - [ -0.0000069300000000, -0.0004929100000000, 0.0000569800000000 ]- atom: 49 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ -0.0000399400000000, -0.0003073900000000, -0.0003764500000000 ] - [ 0.0000491500000000, -0.0001211300000000, 0.0000904600000000 ] - [ -0.0000678800000000, 0.0000407000000000, -0.0005995800000000 ] - [ -0.0001300900000000, 0.0000709200000000, -0.0005474200000000 ] - [ 0.0090676000000000, 0.0000050700000000, 0.0063044600000000 ] - [ -0.0004312800000000, 0.0000200700000000, 0.0003195400000000 ] - [ 0.0047600500000000, 0.0000570200000000, 0.0062131400000000 ] - [ 0.0015600300000000, 0.0000486500000000, 0.0001310500000000 ] - [ -0.0007920900000000, -0.0001840000000000, -0.0011120100000000 ] - [ 0.0003352800000000, -0.0001389200000000, -0.0005239900000000 ] - [ 0.0002589200000000, -0.0006509500000000, -0.0010559600000000 ] - [ -0.0000477400000000, 0.0001051100000000, -0.0005303300000000 ] - [ -0.0008089500000000, -0.0009973100000000, 0.0005165900000000 ] - [ 0.0002953100000000, -0.0002295900000000, 0.0005117400000000 ] - [ -0.0004257300000000, -0.0005831700000000, 0.0021075100000000 ] - [ -0.0001955000000000, -0.0002771000000000, 0.0005902700000000 ] - [ 0.0002545600000000, 0.0001687000000000, -0.0002542900000000 ] - [ -0.0002623800000000, 0.0001818500000000, -0.0002480100000000 ] - [ 0.0006257100000000, -0.0000317200000000, -0.0020827000000000 ] - [ -0.0000526300000000, -0.0000426600000000, -0.0003653600000000 ] - [ -0.0012496800000000, 0.0000050300000000, 0.0013999900000000 ] - [ 0.0003787600000000, 0.0000096100000000, -0.0001985300000000 ] - [ 0.0001946700000000, -0.0000318800000000, 0.0002937700000000 ] - [ 0.0000414500000000, -0.0000089400000000, 0.0007034300000000 ] - [ 0.0003814200000000, 0.0006134000000000, -0.0010260700000000 ] - [ 0.0001004900000000, -0.0000609000000000, -0.0004545800000000 ] - [ -0.0008170900000000, 0.0001623600000000, -0.0010227400000000 ] - [ 0.0001887200000000, 0.0000697700000000, -0.0004823400000000 ] - [ -0.0000924800000000, 0.0009182400000000, 0.0016973100000000 ] - [ -0.0003737600000000, 0.0002983700000000, 0.0005762000000000 ] - [ -0.0006920200000000, 0.0009448400000000, 0.0004969400000000 ] - [ 0.0004524200000000, 0.0002143300000000, 0.0004982800000000 ] - [ -0.0245133400000000, -0.0248416500000000, 0.0569839500000000 ] - [ 0.0014165700000000, -0.0000076700000000, 0.0003243800000000 ] - [ 0.0006746200000000, -0.0008676200000000, 0.0011906600000000 ] - [ 0.0025591800000000, -0.0024080800000000, 0.0024329900000000 ] - [ 0.0009349400000000, -0.0013848200000000, -0.0004461500000000 ] - [ -0.0018044600000000, -0.0004037600000000, -0.0004514800000000 ] - [ 0.0000471900000000, 0.0002217700000000, -0.0029051600000000 ] - [ -0.0002206500000000, 0.0004701900000000, -0.0000472100000000 ] - [ 0.0006381900000000, 0.0008005800000000, 0.0012196600000000 ] - [ 0.0025476200000000, 0.0024075000000000, 0.0024311900000000 ] - [ -0.0242405800000000, 0.0242475800000000, 0.0562140200000000 ] - [ 0.0014306100000000, 0.0000256000000000, 0.0003548600000000 ] - [ 0.0007028700000000, 0.0017070000000000, -0.0007678000000000 ] - [ 0.0000929100000000, 0.0001006700000000, 0.0000404800000000 ] - [ 0.0002094600000000, -0.0002663100000000, -0.0000838200000000 ] - [ -0.0001438000000000, -0.0000768400000000, -0.0001599100000000 ] - [ 0.0473709800000000, 0.0003255500000000, -0.1291785900000000 ] - [ -0.0001125300000000, -0.0000014800000000, -0.0001864100000000 ] - [ -0.0003323200000000, 0.0017442900000000, -0.0021811200000000 ] - [ -0.0019665500000000, 0.0010279300000000, -0.0018539800000000 ] - [ -0.0001879500000000, 0.0003046600000000, 0.0005944200000000 ] - [ -0.0003138200000000, 0.0006373900000000, 0.0005739800000000 ] - [ -0.0003527000000000, 0.0005377500000000, 0.0003154100000000 ] - [ 0.0001569000000000, 0.0002916300000000, -0.0002770000000000 ] - [ -0.0002971700000000, 0.0005187500000000, 0.0007524900000000 ] - [ 0.0008340900000000, -0.0001693800000000, 0.0005056200000000 ] - [ 0.0005539500000000, -0.0005129500000000, 0.0012798200000000 ] - [ -0.0010358900000000, 0.0003217200000000, -0.0000234500000000 ] - [ 0.0006236000000000, 0.0001260900000000, 0.0006809500000000 ] - [ 0.0000081100000000, -0.0001425500000000, 0.0004510400000000 ] - [ 0.0016887700000000, 0.0007316500000000, 0.0035770400000000 ] - [ -0.0002465300000000, -0.0000147400000000, -0.0001753800000000 ] - [ 0.0008805200000000, 0.0020587100000000, -0.0028582100000000 ] - [ -0.0024576000000000, 0.0005644200000000, -0.0017009100000000 ] - [ -0.0028931100000000, -0.0091021600000000, -0.0035966300000000 ] - [ -0.0003644600000000, -0.0000751900000000, 0.0001928000000000 ] - [ -0.0012145300000000, 0.0010558700000000, 0.0032784300000000 ] - [ 0.0005935200000000, 0.0000651200000000, 0.0002588700000000 ] - [ -0.0057692500000000, -0.0001499400000000, 0.0084458700000000 ] - [ -0.0001634600000000, -0.0000297500000000, 0.0007243600000000 ] - [ -0.0000324000000000, 0.0000488000000000, -0.0007237400000000 ] - [ 0.0000402500000000, 0.0000261200000000, -0.0007145200000000 ] - [ 0.0009479900000000, -0.0019835500000000, -0.0028697500000000 ] - [ -0.0025235500000000, -0.0005555800000000, -0.0017328900000000 ] - [ -0.0002412300000000, -0.0007573500000000, 0.0008643900000000 ] - [ -0.0000236400000000, -0.0001784300000000, 0.0002226100000000 ] - [ -0.0004114400000000, -0.0019898000000000, 0.0033167000000000 ] - [ -0.0000833800000000, -0.0003156900000000, -0.0002160100000000 ] - [ 0.0000289800000000, -0.0000745200000000, 0.0007419200000000 ] - [ -0.0001361300000000, 0.0001773400000000, 0.0002922000000000 ] - [ -0.0027910800000000, 0.0091372500000000, -0.0037449600000000 ] - [ -0.0003605300000000, 0.0001037000000000, 0.0001834700000000 ] - [ -0.0002350500000000, -0.0007344900000000, 0.0012067000000000 ] - [ 0.0000363100000000, -0.0000475000000000, 0.0002998300000000 ] - [ -0.0001139200000000, -0.0004100100000000, 0.0002299800000000 ] - [ 0.0000883100000000, -0.0000961200000000, -0.0002299500000000 ] - [ -0.0003196000000000, -0.0017354500000000, -0.0021860500000000 ] - [ -0.0019845100000000, -0.0010112000000000, -0.0018528900000000 ] - [ 0.0005797600000000, 0.0005654900000000, 0.0012251200000000 ] - [ -0.0010257300000000, -0.0002861500000000, -0.0000803100000000 ] - [ 0.0002071200000000, -0.0000460200000000, -0.0000865200000000 ] - [ -0.0001246400000000, -0.0000157900000000, -0.0003625800000000 ] - [ 0.0007725900000000, 0.0000395700000000, -0.0004146200000000 ] - [ -0.0000937000000000, 0.0000334600000000, -0.0008685200000000 ]- atom: 49 displacement: [ 0.0017344484271470, 0.0000000000000000, -0.0098484358480709 ] forces: - [ 0.0000393300000000, 0.0002653100000000, 0.0003741600000000 ] - [ -0.0000484500000000, 0.0000803200000000, -0.0000894900000000 ] - [ -0.0001665700000000, -0.0000001200000000, 0.0005962400000000 ] - [ -0.0001002900000000, -0.0000286800000000, 0.0005498600000000 ] - [ -0.0091441900000000, 0.0000356800000000, -0.0062403200000000 ] - [ 0.0004462200000000, 0.0000210800000000, -0.0003204600000000 ] - [ -0.0042957300000000, -0.0000172000000000, -0.0060876500000000 ] - [ -0.0013191000000000, -0.0000053200000000, -0.0001412900000000 ] - [ 0.0010204500000000, 0.0001433500000000, 0.0010994300000000 ] - [ -0.0001042700000000, 0.0000962400000000, 0.0005134300000000 ] - [ -0.0002566500000000, 0.0006529800000000, 0.0010485400000000 ] - [ 0.0000469600000000, -0.0001047600000000, 0.0005247600000000 ] - [ 0.0005753900000000, 0.0009460200000000, -0.0004975200000000 ] - [ -0.0005231600000000, 0.0001843800000000, -0.0004934700000000 ] - [ 0.0003259200000000, 0.0007450300000000, -0.0019743600000000 ] - [ 0.0001966400000000, 0.0002754400000000, -0.0005853300000000 ] - [ -0.0002522500000000, -0.0002074900000000, 0.0002525200000000 ] - [ 0.0002611500000000, -0.0002213000000000, 0.0002467100000000 ] - [ -0.0008538500000000, 0.0000722300000000, 0.0020830200000000 ] - [ -0.0001765900000000, 0.0000841100000000, 0.0003678100000000 ] - [ 0.0012525300000000, 0.0000355500000000, -0.0014034200000000 ] - [ -0.0003788800000000, 0.0000310200000000, 0.0001988400000000 ] - [ 0.0000319900000000, 0.0000745700000000, -0.0002998900000000 ] - [ 0.0001871500000000, 0.0000529400000000, -0.0007135200000000 ] - [ -0.0001477400000000, -0.0006554900000000, 0.0010123000000000 ] - [ 0.0001295200000000, 0.0000197600000000, 0.0004434500000000 ] - [ 0.0008147000000000, -0.0001624000000000, 0.0010163800000000 ] - [ -0.0001884500000000, -0.0000697000000000, 0.0004789000000000 ] - [ -0.0002282000000000, -0.0011051900000000, -0.0015632100000000 ] - [ 0.0001459800000000, -0.0003406700000000, -0.0005576400000000 ] - [ 0.0006891300000000, -0.0009370300000000, -0.0004916400000000 ] - [ -0.0004512200000000, -0.0002129200000000, -0.0004943500000000 ] - [ 0.0254372500000000, 0.0262393600000000, -0.0581337300000000 ] - [ -0.0014155200000000, 0.0000706200000000, -0.0003228900000000 ] - [ -0.0006872600000000, 0.0007301800000000, -0.0011900200000000 ] - [ -0.0025638200000000, 0.0023030800000000, -0.0024594000000000 ] - [ -0.0009262900000000, 0.0013091000000000, 0.0004407800000000 ] - [ 0.0017889700000000, 0.0003439900000000, 0.0004522100000000 ] - [ -0.0000506400000000, -0.0000817800000000, 0.0028769400000000 ] - [ 0.0002237500000000, -0.0003274200000000, 0.0000494800000000 ] - [ -0.0006508400000000, -0.0007389600000000, -0.0012186300000000 ] - [ -0.0025540800000000, -0.0023793500000000, -0.0024582000000000 ] - [ 0.0251485700000000, -0.0256968300000000, -0.0573491100000000 ] - [ -0.0014281700000000, -0.0001631200000000, -0.0003516700000000 ] - [ -0.0006988100000000, -0.0017591800000000, 0.0007628300000000 ] - [ -0.0000910100000000, -0.0001618700000000, -0.0000401800000000 ] - [ -0.0002040500000000, 0.0003994700000000, 0.0000828400000000 ] - [ 0.0001409100000000, 0.0002109400000000, 0.0001608500000000 ] - [ -0.0495280000000000, -0.0003375300000000, 0.1310644500000000 ] - [ 0.0001011500000000, 0.0000367400000000, 0.0001093400000000 ] - [ 0.0003417800000000, -0.0017371900000000, 0.0021242800000000 ] - [ 0.0019677300000000, -0.0009874400000000, 0.0017765900000000 ] - [ 0.0001775100000000, -0.0003383000000000, -0.0006645200000000 ] - [ 0.0002984900000000, -0.0006651500000000, -0.0006411100000000 ] - [ 0.0003599600000000, -0.0005669100000000, -0.0002378200000000 ] - [ -0.0001451900000000, -0.0003239800000000, 0.0003480000000000 ] - [ 0.0002975000000000, -0.0005556600000000, -0.0008148400000000 ] - [ -0.0008245500000000, 0.0001290700000000, -0.0005692500000000 ] - [ -0.0005728900000000, 0.0005842100000000, -0.0012228200000000 ] - [ 0.0010343900000000, -0.0002837600000000, 0.0000911000000000 ] - [ -0.0006111200000000, -0.0001475600000000, -0.0006643400000000 ] - [ -0.0000029300000000, 0.0001183600000000, -0.0004397100000000 ] - [ -0.0016731000000000, -0.0007629600000000, -0.0034799000000000 ] - [ 0.0002443100000000, -0.0000254000000000, 0.0002414200000000 ] - [ -0.0008820000000000, -0.0020580700000000, 0.0028472800000000 ] - [ 0.0024708300000000, -0.0005460100000000, 0.0017054500000000 ] - [ 0.0029606000000000, 0.0092947400000000, 0.0036547600000000 ] - [ 0.0003611900000000, 0.0001002000000000, -0.0001969700000000 ] - [ 0.0011933200000000, -0.0010682100000000, -0.0032486800000000 ] - [ -0.0005992300000000, -0.0000897000000000, -0.0002682700000000 ] - [ 0.0059951500000000, 0.0001852000000000, -0.0086211700000000 ] - [ 0.0001774200000000, 0.0000645300000000, -0.0006473300000000 ] - [ 0.0000171500000000, -0.0000135200000000, 0.0006527000000000 ] - [ -0.0000486300000000, 0.0000089800000000, 0.0006379400000000 ] - [ -0.0009542000000000, 0.0020489600000000, 0.0027837900000000 ] - [ 0.0025300500000000, 0.0005998900000000, 0.0016639400000000 ] - [ 0.0002279900000000, 0.0007175400000000, -0.0009305600000000 ] - [ 0.0000117900000000, 0.0001412000000000, -0.0002922900000000 ] - [ 0.0004230300000000, 0.0019391100000000, -0.0032149100000000 ] - [ 0.0000953300000000, 0.0002775200000000, 0.0002863400000000 ] - [ -0.0000267200000000, 0.0000348600000000, -0.0008043400000000 ] - [ 0.0001350600000000, -0.0002135600000000, -0.0003572300000000 ] - [ 0.0028647400000000, -0.0092658000000000, 0.0038825400000000 ] - [ 0.0003627400000000, -0.0000662800000000, -0.0001109700000000 ] - [ 0.0002385500000000, 0.0007062000000000, -0.0011935100000000 ] - [ -0.0000298200000000, 0.0000233400000000, -0.0002883900000000 ] - [ 0.0001132200000000, 0.0003654600000000, -0.0001614600000000 ] - [ -0.0000882500000000, 0.0000562600000000, 0.0002937900000000 ] - [ 0.0003349100000000, 0.0017915600000000, 0.0022013200000000 ] - [ 0.0019913700000000, 0.0010342400000000, 0.0018482100000000 ] - [ -0.0006031500000000, -0.0005732300000000, -0.0012456600000000 ] - [ 0.0010182600000000, 0.0003122200000000, 0.0000692700000000 ] - [ -0.0002145000000000, 0.0000208500000000, 0.0000772600000000 ] - [ 0.0001146200000000, -0.0000073700000000, 0.0003532100000000 ] - [ -0.0007620000000000, -0.0000045700000000, 0.0004918100000000 ] - [ 0.0001097000000000, 0.0000009700000000, 0.0009563500000000 ]- atom: 51 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ 0.0001334300000000, 0.0000569200000000, 0.0001377700000000 ] - [ -0.0002381700000000, -0.0000325600000000, -0.0002595000000000 ] - [ 0.0004416600000000, -0.0012016800000000, -0.0011473200000000 ] - [ -0.0002342400000000, 0.0000360700000000, 0.0003064300000000 ] - [ -0.0010346700000000, -0.0012150100000000, 0.0008867000000000 ] - [ 0.0051481300000000, -0.0077549600000000, -0.0047352400000000 ] - [ 0.0025682400000000, 0.0013676600000000, -0.0014041700000000 ] - [ -0.0003585300000000, 0.0000403800000000, -0.0000362100000000 ] - [ 0.0010808900000000, 0.0010234900000000, -0.0008884200000000 ] - [ -0.0006460400000000, 0.0006173500000000, 0.0006447200000000 ] - [ 0.0006919800000000, 0.0002574300000000, 0.0002166100000000 ] - [ -0.0019007900000000, -0.0001771100000000, -0.0012368500000000 ] - [ 0.0042376800000000, -0.0051864000000000, -0.0052977500000000 ] - [ -0.0008930600000000, -0.0003162700000000, 0.0000650800000000 ] - [ -0.0004868200000000, -0.0000568500000000, 0.0004716300000000 ] - [ 0.0032478700000000, -0.0002820500000000, 0.0017686200000000 ] - [ -0.0000998100000000, -0.0000625100000000, -0.0000655500000000 ] - [ 0.0001176000000000, -0.0000599400000000, 0.0000561000000000 ] - [ 0.0010065100000000, 0.0001958000000000, 0.0004918100000000 ] - [ -0.0006083400000000, 0.0003615900000000, -0.0001526200000000 ] - [ 0.0006405100000000, 0.0003932200000000, -0.0000983800000000 ] - [ -0.0016115100000000, -0.0000532400000000, -0.0005591400000000 ] - [ 0.0002953800000000, 0.0002308000000000, 0.0004590300000000 ] - [ -0.0001516100000000, -0.0005677200000000, -0.0004720200000000 ] - [ 0.0005770800000000, -0.0003481700000000, 0.0000430300000000 ] - [ -0.0002969100000000, -0.0002579200000000, -0.0000978700000000 ] - [ 0.0001393600000000, 0.0000133100000000, -0.0001298400000000 ] - [ -0.0007171500000000, -0.0007994200000000, 0.0007989800000000 ] - [ -0.0002850600000000, -0.0001784200000000, 0.0002060600000000 ] - [ -0.0002918000000000, 0.0005746700000000, -0.0004885200000000 ] - [ 0.0004584800000000, -0.0000163200000000, -0.0001494300000000 ] - [ -0.0004499500000000, 0.0002621200000000, 0.0001418300000000 ] - [ 0.0757437600000000, -0.0031336200000000, 0.0355180200000000 ] - [ -0.0037905400000000, -0.0004490100000000, 0.0010545600000000 ] - [ -0.0037273200000000, 0.0037760200000000, 0.0020040700000000 ] - [ 0.0423104200000000, 0.0233819400000000, -0.0186253100000000 ] - [ -0.0004455100000000, -0.0002395400000000, -0.0006067200000000 ] - [ 0.0011079300000000, 0.0003418700000000, -0.0002514100000000 ] - [ 0.0001715000000000, -0.0005523700000000, 0.0001814100000000 ] - [ -0.0009874400000000, 0.0000228300000000, -0.0004213800000000 ] - [ -0.0005981600000000, 0.0014160900000000, -0.0004482900000000 ] - [ 0.0019985500000000, -0.0019679800000000, -0.0018273300000000 ] - [ 0.0017937800000000, -0.0010878100000000, 0.0002044200000000 ] - [ -0.0010600600000000, 0.0008076100000000, 0.0006726200000000 ] - [ 0.0006294400000000, -0.0001991500000000, 0.0001768100000000 ] - [ -0.0004225600000000, -0.0000497100000000, -0.0000734000000000 ] - [ -0.0000209300000000, 0.0005796600000000, -0.0000508500000000 ] - [ 0.0006967700000000, -0.0004951100000000, 0.0003619300000000 ] - [ 0.0003820100000000, 0.0009603500000000, -0.0003200600000000 ] - [ 0.0030662900000000, -0.0016152900000000, -0.0015010000000000 ] - [ -0.1327765600000000, -0.0148128100000000, -0.0138908900000000 ] - [ 0.0015477700000000, 0.0004804300000000, 0.0000089300000000 ] - [ -0.0001058600000000, -0.0000740700000000, -0.0003599900000000 ] - [ -0.0000468900000000, -0.0004396400000000, 0.0007936200000000 ] - [ 0.0001399600000000, -0.0001056100000000, -0.0001858900000000 ] - [ -0.0008239600000000, 0.0007908800000000, 0.0015961200000000 ] - [ -0.0000153200000000, 0.0001545600000000, 0.0006207400000000 ] - [ -0.0000168300000000, -0.0000489800000000, -0.0001168800000000 ] - [ 0.0077010100000000, 0.0018459600000000, 0.0090258700000000 ] - [ 0.0019353300000000, 0.0015624000000000, -0.0009662300000000 ] - [ -0.0004417500000000, -0.0002500600000000, 0.0000336500000000 ] - [ 0.0006912300000000, 0.0002507000000000, 0.0008193500000000 ] - [ 0.0001241600000000, 0.0003407400000000, -0.0013877100000000 ] - [ 0.0007711800000000, 0.0000140200000000, 0.0006092700000000 ] - [ 0.0019439500000000, -0.0000235600000000, 0.0013517900000000 ] - [ 0.0019813100000000, 0.0012759000000000, -0.0015900500000000 ] - [ -0.0031189300000000, -0.0039624000000000, 0.0026448500000000 ] - [ 0.0011283800000000, 0.0002783500000000, -0.0003535000000000 ] - [ -0.0000979500000000, 0.0000714300000000, -0.0001347200000000 ] - [ 0.0001970800000000, -0.0004850100000000, 0.0014300200000000 ] - [ -0.0033785100000000, 0.0011675000000000, 0.0000394400000000 ] - [ 0.0010649800000000, 0.0000280700000000, -0.0008247800000000 ] - [ -0.0007825300000000, -0.0000577100000000, 0.0008110000000000 ] - [ 0.0016134100000000, -0.0033584800000000, -0.0023138700000000 ] - [ 0.0003244600000000, 0.0001093900000000, -0.0000888100000000 ] - [ 0.0003213400000000, 0.0002880400000000, -0.0000404800000000 ] - [ -0.0000067800000000, 0.0003237000000000, -0.0000088200000000 ] - [ 0.0001304000000000, 0.0000021100000000, -0.0001515900000000 ] - [ -0.0001041900000000, 0.0002819600000000, -0.0000983200000000 ] - [ 0.0001194400000000, 0.0000370200000000, 0.0001475600000000 ] - [ -0.0007648700000000, 0.0004051600000000, -0.0005240900000000 ] - [ 0.0003082300000000, -0.0001278600000000, 0.0000770900000000 ] - [ -0.0012456500000000, 0.0008654900000000, 0.0004533100000000 ] - [ 0.0012254900000000, -0.0006462600000000, -0.0000915400000000 ] - [ -0.0000841300000000, -0.0000826900000000, 0.0000907000000000 ] - [ 0.0001364000000000, 0.0000676800000000, -0.0003970000000000 ] - [ -0.0003903700000000, -0.0002134200000000, -0.0002212600000000 ] - [ 0.0001635300000000, 0.0000182600000000, 0.0002268100000000 ] - [ -0.0028823000000000, 0.0018676900000000, 0.0014963200000000 ] - [ 0.0008582600000000, -0.0003328300000000, -0.0000109200000000 ] - [ -0.0009534800000000, 0.0000069800000000, -0.0001386100000000 ] - [ 0.0002174700000000, -0.0003798000000000, 0.0001976100000000 ] - [ -0.0003403400000000, -0.0000930400000000, -0.0002629100000000 ] - [ 0.0003114100000000, -0.0000526800000000, 0.0000530000000000 ] - [ 0.0002885400000000, -0.0006372700000000, -0.0002769900000000 ] - [ -0.0041958000000000, 0.0052886900000000, -0.0036148700000000 ]- atom: 51 displacement: [ -0.0099999959968920, 0.0000000000000000, -0.0000089477451717 ] forces: - [ -0.0001347300000000, -0.0000963100000000, -0.0001377300000000 ] - [ 0.0002395700000000, -0.0000071200000000, 0.0002597300000000 ] - [ -0.0006769100000000, 0.0012488000000000, 0.0011565200000000 ] - [ 0.0000055500000000, 0.0000085500000000, -0.0002976700000000 ] - [ 0.0010330900000000, 0.0012616600000000, -0.0008926100000000 ] - [ -0.0051125400000000, 0.0076041000000000, 0.0046037200000000 ] - [ -0.0023616000000000, -0.0013795800000000, 0.0014413200000000 ] - [ 0.0005863200000000, 0.0000044200000000, 0.0000207600000000 ] - [ -0.0008570100000000, -0.0010654900000000, 0.0008819400000000 ] - [ 0.0008751700000000, -0.0006612800000000, -0.0006475700000000 ] - [ -0.0006881100000000, -0.0002519900000000, -0.0002200400000000 ] - [ 0.0019046700000000, 0.0001802600000000, 0.0012438400000000 ] - [ -0.0044539300000000, 0.0052500600000000, 0.0054116200000000 ] - [ 0.0006643300000000, 0.0002728200000000, -0.0000542500000000 ] - [ 0.0004846200000000, 0.0000606200000000, -0.0004712500000000 ] - [ -0.0029663600000000, 0.0002738000000000, -0.0015378400000000 ] - [ 0.0001001400000000, 0.0000220900000000, 0.0000650900000000 ] - [ -0.0001167700000000, 0.0000191300000000, -0.0000558500000000 ] - [ -0.0012361400000000, -0.0001552400000000, -0.0004859600000000 ] - [ 0.0003801300000000, -0.0003216400000000, 0.0001618400000000 ] - [ -0.0006409400000000, -0.0003537400000000, 0.0000972600000000 ] - [ 0.0016117500000000, 0.0000918300000000, 0.0005604500000000 ] - [ -0.0000693200000000, -0.0001881400000000, -0.0004752000000000 ] - [ 0.0003818700000000, 0.0006120500000000, 0.0004547200000000 ] - [ -0.0003439600000000, 0.0003033700000000, -0.0000512400000000 ] - [ 0.0005269300000000, 0.0002173100000000, 0.0000931900000000 ] - [ -0.0001415400000000, -0.0000144300000000, 0.0001299800000000 ] - [ 0.0007167800000000, 0.0008009900000000, -0.0007988000000000 ] - [ 0.0000536500000000, 0.0001328700000000, -0.0001916700000000 ] - [ 0.0000721600000000, -0.0006239600000000, 0.0005028500000000 ] - [ -0.0004564200000000, 0.0000131800000000, 0.0001492100000000 ] - [ 0.0004493300000000, -0.0002631800000000, -0.0001444800000000 ] - [ -0.0795379600000000, 0.0026715200000000, -0.0379997200000000 ] - [ 0.0037677700000000, 0.0005162800000000, -0.0010490300000000 ] - [ 0.0037710600000000, -0.0039839500000000, -0.0020689500000000 ] - [ -0.0414632900000000, -0.0227313100000000, 0.0180928500000000 ] - [ 0.0004436500000000, 0.0001806800000000, 0.0006074000000000 ] - [ -0.0011113300000000, -0.0003957500000000, 0.0002706800000000 ] - [ -0.0001765300000000, 0.0006913100000000, -0.0001810300000000 ] - [ 0.0010029900000000, 0.0001200600000000, 0.0004234700000000 ] - [ 0.0005905300000000, -0.0013655000000000, 0.0004520100000000 ] - [ -0.0019569000000000, 0.0019973300000000, 0.0017881200000000 ] - [ -0.0018051200000000, 0.0009232800000000, -0.0002039500000000 ] - [ 0.0010650400000000, -0.0009380200000000, -0.0006651700000000 ] - [ -0.0006323800000000, 0.0001339000000000, -0.0001760100000000 ] - [ 0.0004242400000000, -0.0000110400000000, 0.0000746400000000 ] - [ 0.0000225700000000, -0.0004453100000000, 0.0000503200000000 ] - [ -0.0007037500000000, 0.0006355300000000, -0.0003589800000000 ] - [ -0.0003919000000000, -0.0009312900000000, 0.0002315300000000 ] - [ -0.0030539300000000, 0.0016260900000000, 0.0014189000000000 ] - [ 0.1355569300000000, 0.0144212500000000, 0.0168621800000000 ] - [ -0.0015466600000000, -0.0004393700000000, -0.0000744300000000 ] - [ 0.0001019300000000, 0.0000358500000000, 0.0002788700000000 ] - [ 0.0000408700000000, 0.0004052500000000, -0.0008761700000000 ] - [ -0.0001340700000000, 0.0000701600000000, 0.0002655900000000 ] - [ 0.0008262100000000, -0.0008336500000000, -0.0015326000000000 ] - [ 0.0000169100000000, -0.0002006400000000, -0.0006942900000000 ] - [ 0.0000139900000000, 0.0000056300000000, 0.0000417500000000 ] - [ -0.0079229600000000, -0.0017227100000000, -0.0091480900000000 ] - [ -0.0019084700000000, -0.0015236800000000, 0.0009995800000000 ] - [ 0.0004483500000000, 0.0002312800000000, -0.0000256200000000 ] - [ -0.0006925300000000, -0.0002735700000000, -0.0008179300000000 ] - [ -0.0001185700000000, -0.0003812400000000, 0.0014569900000000 ] - [ -0.0007676900000000, -0.0000590300000000, -0.0005361500000000 ] - [ -0.0019841700000000, 0.0000863600000000, -0.0013190700000000 ] - [ -0.0019259600000000, -0.0012024300000000, 0.0015470100000000 ] - [ 0.0031531300000000, 0.0039319100000000, -0.0025835600000000 ] - [ -0.0011324400000000, -0.0002488200000000, 0.0003530300000000 ] - [ 0.0000938200000000, -0.0000919200000000, 0.0001303400000000 ] - [ -0.0002183700000000, 0.0004631900000000, -0.0014578100000000 ] - [ 0.0034564900000000, -0.0011208800000000, 0.0000980500000000 ] - [ -0.0010584500000000, 0.0000047300000000, 0.0009028500000000 ] - [ 0.0007554300000000, 0.0001008300000000, -0.0008442000000000 ] - [ -0.0016301600000000, 0.0034205100000000, 0.0022500600000000 ] - [ -0.0003180500000000, -0.0000547600000000, 0.0000134700000000 ] - [ -0.0003219400000000, -0.0002452400000000, -0.0000288500000000 ] - [ -0.0000011200000000, -0.0003578500000000, -0.0000661000000000 ] - [ -0.0001377400000000, -0.0000383100000000, 0.0000760200000000 ] - [ 0.0001130500000000, -0.0003163100000000, 0.0001709900000000 ] - [ -0.0001116000000000, -0.0000730300000000, -0.0000714900000000 ] - [ 0.0007653700000000, -0.0004509300000000, 0.0004521000000000 ] - [ -0.0003106900000000, 0.0000861900000000, -0.0001491200000000 ] - [ 0.0012351200000000, -0.0008144000000000, -0.0003792800000000 ] - [ -0.0012226500000000, 0.0006846400000000, 0.0001587700000000 ] - [ 0.0000908400000000, 0.0000638500000000, -0.0000856200000000 ] - [ -0.0001322300000000, -0.0000891700000000, 0.0004038400000000 ] - [ 0.0003942400000000, 0.0001700200000000, 0.0002913500000000 ] - [ -0.0001612900000000, -0.0000608500000000, -0.0001578700000000 ] - [ 0.0028814700000000, -0.0018105500000000, -0.0014738600000000 ] - [ -0.0008526700000000, 0.0003558700000000, 0.0000170100000000 ] - [ 0.0009570600000000, 0.0000185100000000, 0.0001301700000000 ] - [ -0.0002252300000000, 0.0004110000000000, -0.0002058800000000 ] - [ 0.0003350000000000, 0.0000694700000000, 0.0002566100000000 ] - [ -0.0003181200000000, 0.0000325100000000, -0.0000577100000000 ] - [ -0.0002828300000000, 0.0006801400000000, 0.0003548700000000 ] - [ 0.0041159400000000, -0.0050293700000000, 0.0035951900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000694600000000, 0.0001055700000000, -0.0000084700000000 ] - [ -0.0000674300000000, 0.0000840300000000, -0.0000026000000000 ] - [ -0.0001517300000000, -0.0001796200000000, -0.0001904600000000 ] - [ -0.0000878300000000, -0.0000225800000000, 0.0001299500000000 ] - [ -0.0004898500000000, -0.0001805900000000, -0.0000537500000000 ] - [ -0.0072316500000000, 0.0130455900000000, 0.0080551800000000 ] - [ 0.0001520000000000, 0.0015218400000000, -0.0007652500000000 ] - [ 0.0001094500000000, -0.0000023300000000, -0.0000224200000000 ] - [ 0.0003704700000000, 0.0002522700000000, -0.0000868100000000 ] - [ -0.0004639700000000, 0.0009227000000000, 0.0008142600000000 ] - [ 0.0002639200000000, 0.0002883500000000, -0.0003265500000000 ] - [ -0.0003707400000000, -0.0001009400000000, -0.0000628100000000 ] - [ -0.0054219400000000, 0.0095288200000000, 0.0090875600000000 ] - [ -0.0003208200000000, -0.0000114600000000, -0.0000674500000000 ] - [ -0.0004206600000000, 0.0002381300000000, 0.0001660300000000 ] - [ 0.0014360200000000, 0.0015278200000000, 0.0007345200000000 ] - [ -0.0000227800000000, -0.0000926900000000, -0.0000251400000000 ] - [ 0.0000222100000000, -0.0002265500000000, 0.0002192900000000 ] - [ 0.0008976000000000, 0.0001797200000000, 0.0006583700000000 ] - [ -0.0004688000000000, 0.0001061900000000, 0.0000500900000000 ] - [ 0.0004729600000000, -0.0001502200000000, 0.0002125500000000 ] - [ -0.0011847000000000, 0.0001219800000000, -0.0007775600000000 ] - [ 0.0003046600000000, 0.0000050000000000, 0.0000610900000000 ] - [ -0.0000978400000000, -0.0000841600000000, -0.0003080500000000 ] - [ 0.0003638800000000, -0.0003740200000000, -0.0000363200000000 ] - [ -0.0000278400000000, -0.0000564100000000, 0.0000497600000000 ] - [ 0.0000703400000000, -0.0000693000000000, 0.0000089300000000 ] - [ -0.0006809900000000, -0.0010954300000000, 0.0010145200000000 ] - [ -0.0003099800000000, -0.0002196900000000, 0.0001061500000000 ] - [ 0.0004664100000000, -0.0010709900000000, 0.0003048400000000 ] - [ 0.0001877900000000, -0.0004069500000000, -0.0001749600000000 ] - [ -0.0001439700000000, -0.0000012900000000, -0.0000464400000000 ] - [ 0.0025845300000000, 0.0301379800000000, 0.0004073400000000 ] - [ 0.0006913100000000, 0.0005430400000000, -0.0004339800000000 ] - [ 0.0002167500000000, -0.0000905200000000, 0.0008515400000000 ] - [ 0.0181152700000000, 0.0664580400000000, -0.0320170200000000 ] - [ -0.0000760700000000, 0.0000879900000000, -0.0001236300000000 ] - [ 0.0003102500000000, 0.0010973200000000, 0.0007446700000000 ] - [ -0.0001087600000000, -0.0005232900000000, 0.0001842000000000 ] - [ 0.0006959300000000, -0.0000476000000000, 0.0001505800000000 ] - [ -0.0003683200000000, 0.0003438700000000, -0.0001919300000000 ] - [ 0.0030244500000000, -0.0054198800000000, -0.0021783500000000 ] - [ -0.0005841400000000, -0.0024730500000000, -0.0006952000000000 ] - [ -0.0001424500000000, -0.0011228200000000, -0.0006172700000000 ] - [ 0.0004691100000000, -0.0005677400000000, 0.0000926300000000 ] - [ -0.0002293000000000, -0.0003852900000000, 0.0000584000000000 ] - [ -0.0000180500000000, 0.0002728700000000, -0.0000217500000000 ] - [ 0.0001329400000000, 0.0000307600000000, 0.0001878400000000 ] - [ 0.0018694800000000, 0.0007934400000000, 0.0020484600000000 ] - [ -0.0021501900000000, 0.0005958400000000, 0.0006089700000000 ] - [ -0.0155530000000000, -0.1161100400000000, 0.0259228000000000 ] - [ 0.0004531400000000, 0.0002281200000000, 0.0001219400000000 ] - [ 0.0001181100000000, -0.0005582100000000, -0.0005607100000000 ] - [ 0.0000181500000000, -0.0002089200000000, 0.0001194500000000 ] - [ 0.0000329100000000, -0.0001660100000000, 0.0000493000000000 ] - [ 0.0002021200000000, -0.0003241800000000, 0.0008313000000000 ] - [ 0.0000265900000000, -0.0000408100000000, 0.0000734500000000 ] - [ -0.0001775900000000, -0.0000404200000000, -0.0002174100000000 ] - [ -0.0018244500000000, -0.0080482400000000, -0.0009386200000000 ] - [ -0.0015567200000000, -0.0047509300000000, 0.0008202500000000 ] - [ -0.0001881700000000, -0.0001187900000000, -0.0000365500000000 ] - [ -0.0002636400000000, -0.0000362900000000, -0.0000820000000000 ] - [ 0.0003633100000000, -0.0001346400000000, -0.0013148700000000 ] - [ 0.0000375200000000, -0.0000432400000000, 0.0000326500000000 ] - [ -0.0013280100000000, -0.0005688700000000, -0.0015305400000000 ] - [ -0.0000048000000000, -0.0006023100000000, 0.0013379700000000 ] - [ -0.0038229800000000, 0.0015045700000000, -0.0045521700000000 ] - [ 0.0002215300000000, -0.0003208700000000, 0.0001152200000000 ] - [ 0.0000068500000000, -0.0000285300000000, -0.0001066300000000 ] - [ -0.0008726300000000, -0.0001335300000000, -0.0017571900000000 ] - [ 0.0042951500000000, 0.0000402300000000, 0.0013194200000000 ] - [ 0.0001345500000000, -0.0000524100000000, -0.0002463100000000 ] - [ 0.0012839300000000, 0.0020140900000000, -0.0018683800000000 ] - [ 0.0002939000000000, -0.0006415300000000, -0.0005750100000000 ] - [ 0.0002642600000000, 0.0003357600000000, -0.0001176900000000 ] - [ 0.0000843200000000, 0.0003366900000000, 0.0001842200000000 ] - [ -0.0000576600000000, 0.0004840700000000, 0.0000080900000000 ] - [ 0.0000744300000000, 0.0001772800000000, -0.0002215700000000 ] - [ 0.0002065000000000, 0.0004561200000000, -0.0003176700000000 ] - [ 0.0000528000000000, 0.0002447200000000, -0.0000315600000000 ] - [ -0.0004276700000000, 0.0001608200000000, -0.0006252800000000 ] - [ 0.0001066400000000, -0.0000502700000000, -0.0000410700000000 ] - [ -0.0008391000000000, 0.0008870800000000, 0.0004110600000000 ] - [ 0.0006645600000000, 0.0004770000000000, 0.0005522400000000 ] - [ -0.0000108400000000, 0.0000696600000000, -0.0001271100000000 ] - [ 0.0002728400000000, 0.0001643400000000, -0.0005792800000000 ] - [ -0.0001916800000000, -0.0000566600000000, -0.0000552900000000 ] - [ 0.0000410800000000, 0.0000978100000000, 0.0001220500000000 ] - [ -0.0018278400000000, 0.0063823700000000, 0.0030185900000000 ] - [ 0.0003424500000000, 0.0000035400000000, 0.0001819000000000 ] - [ -0.0000022500000000, 0.0000751100000000, -0.0000310000000000 ] - [ -0.0003886500000000, 0.0006877700000000, 0.0005011600000000 ] - [ -0.0003677700000000, 0.0003768900000000, 0.0003233800000000 ] - [ 0.0000810600000000, -0.0000113800000000, 0.0000717300000000 ] - [ 0.0000099400000000, -0.0001427500000000, -0.0000472600000000 ] - [ 0.0083604100000000, 0.0046720500000000, -0.0079105600000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000691200000000, -0.0001459100000000, 0.0000081800000000 ] - [ 0.0000672500000000, -0.0001249700000000, 0.0000025100000000 ] - [ -0.0000748300000000, 0.0002158400000000, 0.0001939700000000 ] - [ -0.0001428000000000, 0.0000601700000000, -0.0001253600000000 ] - [ 0.0004917800000000, 0.0002165200000000, 0.0000569300000000 ] - [ 0.0076199100000000, -0.0135446600000000, -0.0085166800000000 ] - [ -0.0000174800000000, -0.0016475300000000, 0.0009122500000000 ] - [ 0.0001192600000000, 0.0000441200000000, 0.0000106200000000 ] - [ -0.0001375600000000, -0.0002917700000000, 0.0000794100000000 ] - [ 0.0006944600000000, -0.0009600400000000, -0.0008224300000000 ] - [ -0.0002682700000000, -0.0002915500000000, 0.0003233100000000 ] - [ 0.0003655600000000, 0.0001016300000000, 0.0000567700000000 ] - [ 0.0049961300000000, -0.0093843300000000, -0.0087548900000000 ] - [ 0.0000922500000000, -0.0000323400000000, 0.0000842200000000 ] - [ 0.0004218400000000, -0.0002388700000000, -0.0001658400000000 ] - [ -0.0014439600000000, -0.0015263500000000, -0.0007349900000000 ] - [ 0.0000232600000000, 0.0000514900000000, 0.0000251200000000 ] - [ -0.0000219800000000, 0.0001853400000000, -0.0002215200000000 ] - [ -0.0011265500000000, -0.0001352400000000, -0.0006534000000000 ] - [ 0.0002379900000000, -0.0000635900000000, -0.0000433600000000 ] - [ -0.0004692600000000, 0.0001847400000000, -0.0002057200000000 ] - [ 0.0011828400000000, -0.0000784400000000, 0.0007741500000000 ] - [ -0.0000736100000000, 0.0000382600000000, -0.0000755400000000 ] - [ 0.0003247800000000, 0.0001310300000000, 0.0002963900000000 ] - [ -0.0001338400000000, 0.0003324200000000, 0.0000321300000000 ] - [ 0.0002586400000000, 0.0000127300000000, -0.0000568800000000 ] - [ -0.0000703600000000, 0.0000704100000000, -0.0000085000000000 ] - [ 0.0006790400000000, 0.0010950300000000, -0.0010131800000000 ] - [ 0.0000831900000000, 0.0001755400000000, -0.0000932700000000 ] - [ -0.0007017100000000, 0.0010308600000000, -0.0002937800000000 ] - [ -0.0001868800000000, 0.0004073500000000, 0.0001739300000000 ] - [ 0.0001426900000000, 0.0000018300000000, 0.0000468100000000 ] - [ -0.0022510500000000, -0.0303224700000000, -0.0001569300000000 ] - [ -0.0006731500000000, -0.0004831500000000, 0.0004359800000000 ] - [ -0.0002172000000000, -0.0000400200000000, -0.0008430400000000 ] - [ -0.0165767900000000, -0.0647606500000000, 0.0303236900000000 ] - [ 0.0000771700000000, -0.0001512200000000, 0.0001228900000000 ] - [ -0.0003102100000000, -0.0011587200000000, -0.0007406100000000 ] - [ 0.0001069300000000, 0.0006565200000000, -0.0001857700000000 ] - [ -0.0006973600000000, 0.0001856800000000, -0.0001494800000000 ] - [ 0.0003736200000000, -0.0002766700000000, 0.0001920900000000 ] - [ -0.0030268700000000, 0.0054411300000000, 0.0021606000000000 ] - [ 0.0005975100000000, 0.0023662400000000, 0.0007058400000000 ] - [ 0.0001357800000000, 0.0009743400000000, 0.0006152500000000 ] - [ -0.0004682900000000, 0.0005043000000000, -0.0000920800000000 ] - [ 0.0002277600000000, 0.0003227000000000, -0.0000574400000000 ] - [ 0.0000219600000000, -0.0001353400000000, 0.0000210300000000 ] - [ -0.0001372800000000, 0.0001058500000000, -0.0001865900000000 ] - [ -0.0019327600000000, -0.0007675000000000, -0.0021558300000000 ] - [ 0.0021351100000000, -0.0005480300000000, -0.0006813100000000 ] - [ 0.0137322900000000, 0.1149469100000000, -0.0242595600000000 ] - [ -0.0004643300000000, -0.0001886500000000, -0.0001978900000000 ] - [ -0.0001273500000000, 0.0005223400000000, 0.0004883600000000 ] - [ -0.0000289100000000, 0.0001721500000000, -0.0001915900000000 ] - [ -0.0000245600000000, 0.0001307000000000, 0.0000263300000000 ] - [ -0.0001937700000000, 0.0002849000000000, -0.0007582200000000 ] - [ -0.0000268100000000, 0.0000007400000000, -0.0001425300000000 ] - [ 0.0001781200000000, 0.0000007500000000, 0.0001506200000000 ] - [ 0.0017426800000000, 0.0081634300000000, 0.0009694800000000 ] - [ 0.0015288000000000, 0.0047650000000000, -0.0007175400000000 ] - [ 0.0001959000000000, 0.0000978800000000, 0.0000472700000000 ] - [ 0.0002722400000000, 0.0000141400000000, 0.0000939600000000 ] - [ -0.0003621500000000, 0.0001051400000000, 0.0013781600000000 ] - [ -0.0000367300000000, 0.0000023100000000, 0.0000346200000000 ] - [ 0.0012917400000000, 0.0005978100000000, 0.0015386500000000 ] - [ 0.0000018200000000, 0.0006115700000000, -0.0013261600000000 ] - [ 0.0038125200000000, -0.0014856400000000, 0.0044997400000000 ] - [ -0.0002430700000000, 0.0003412400000000, -0.0001307600000000 ] - [ -0.0000151700000000, 0.0000072900000000, 0.0001014600000000 ] - [ 0.0008723400000000, 0.0001096800000000, 0.0017571500000000 ] - [ -0.0043267300000000, -0.0000338200000000, -0.0013126100000000 ] - [ -0.0001235300000000, 0.0000951300000000, 0.0003220100000000 ] - [ -0.0012698600000000, -0.0018890300000000, 0.0017782400000000 ] - [ -0.0003014600000000, 0.0006643600000000, 0.0004949700000000 ] - [ -0.0002671100000000, -0.0002978500000000, 0.0000487300000000 ] - [ -0.0000787300000000, -0.0002957200000000, -0.0002531500000000 ] - [ 0.0000471800000000, -0.0005172000000000, -0.0000833300000000 ] - [ -0.0000838000000000, -0.0002127600000000, 0.0001489700000000 ] - [ -0.0001999800000000, -0.0004937600000000, 0.0003958300000000 ] - [ -0.0000409200000000, -0.0002801100000000, 0.0001042500000000 ] - [ 0.0004280600000000, -0.0002028600000000, 0.0005555500000000 ] - [ -0.0001061700000000, 0.0000108600000000, -0.0000267200000000 ] - [ 0.0008402200000000, -0.0008481100000000, -0.0003396500000000 ] - [ -0.0006671600000000, -0.0004341700000000, -0.0004801200000000 ] - [ 0.0000164300000000, -0.0000932300000000, 0.0001346800000000 ] - [ -0.0002654700000000, -0.0001879500000000, 0.0005871300000000 ] - [ 0.0001903300000000, 0.0000142200000000, 0.0001228200000000 ] - [ -0.0000392500000000, -0.0001393600000000, -0.0000539200000000 ] - [ 0.0018318200000000, -0.0063965000000000, -0.0030233900000000 ] - [ -0.0003349400000000, 0.0000194600000000, -0.0001752200000000 ] - [ -0.0000117500000000, -0.0000550300000000, 0.0000205800000000 ] - [ 0.0003851800000000, -0.0006595300000000, -0.0005132700000000 ] - [ 0.0003594900000000, -0.0004001100000000, -0.0003279900000000 ] - [ -0.0000893300000000, -0.0000118100000000, -0.0000793100000000 ] - [ -0.0000012800000000, 0.0001732400000000, 0.0001240000000000 ] - [ -0.0082443600000000, -0.0045307400000000, 0.0078497700000000 ]- atom: 51 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ 0.0002919800000000, -0.0001831700000000, -0.0003048600000000 ] - [ -0.0002666200000000, -0.0001646300000000, -0.0002066900000000 ] - [ 0.0000930500000000, -0.0002963200000000, -0.0007491100000000 ] - [ -0.0000888700000000, 0.0000362900000000, -0.0006516800000000 ] - [ 0.0001109700000000, -0.0003197800000000, 0.0004692500000000 ] - [ -0.0069254100000000, 0.0120347400000000, 0.0086510700000000 ] - [ 0.0002313400000000, 0.0005528700000000, 0.0020896800000000 ] - [ -0.0000003400000000, 0.0000558600000000, 0.0004343300000000 ] - [ 0.0002879700000000, 0.0001846900000000, -0.0006607800000000 ] - [ 0.0004777700000000, -0.0006494500000000, -0.0010715100000000 ] - [ -0.0000571600000000, -0.0000115400000000, -0.0007146100000000 ] - [ -0.0004658000000000, 0.0000083400000000, -0.0009416200000000 ] - [ -0.0043643500000000, 0.0068971200000000, 0.0090122500000000 ] - [ -0.0003261900000000, -0.0001627400000000, 0.0004693900000000 ] - [ 0.0011860100000000, -0.0000048200000000, 0.0003795300000000 ] - [ -0.0009604000000000, -0.0003270100000000, 0.0017750400000000 ] - [ 0.0000657200000000, 0.0000489600000000, 0.0000262600000000 ] - [ -0.0000503300000000, 0.0002171300000000, -0.0001878300000000 ] - [ -0.0007124000000000, -0.0000579600000000, -0.0009499100000000 ] - [ -0.0000141600000000, 0.0000265800000000, -0.0004748600000000 ] - [ 0.0002087100000000, -0.0005110200000000, 0.0004161600000000 ] - [ 0.0005620500000000, -0.0002029100000000, 0.0005927800000000 ] - [ 0.0005189800000000, -0.0002049500000000, 0.0004791700000000 ] - [ -0.0004619600000000, -0.0008045100000000, 0.0004954000000000 ] - [ 0.0000256400000000, 0.0000552300000000, -0.0006737800000000 ] - [ 0.0000952900000000, -0.0000468900000000, -0.0004786700000000 ] - [ 0.0000334000000000, 0.0000720600000000, -0.0004866900000000 ] - [ 0.0003923000000000, 0.0007632600000000, -0.0012605000000000 ] - [ 0.0000617800000000, 0.0001903800000000, 0.0003724100000000 ] - [ -0.0005596900000000, 0.0009073800000000, 0.0004649000000000 ] - [ -0.0000451800000000, -0.0001471500000000, 0.0005926900000000 ] - [ -0.0000337500000000, 0.0001091200000000, 0.0004965200000000 ] - [ 0.0139974300000000, -0.0030659400000000, 0.0473768500000000 ] - [ -0.0004821500000000, 0.0003615400000000, 0.0009394600000000 ] - [ 0.0014212400000000, 0.0016596500000000, 0.0019550700000000 ] - [ -0.0172282600000000, -0.0286167900000000, 0.0563165200000000 ] - [ -0.0000828400000000, -0.0003337000000000, -0.0001439200000000 ] - [ -0.0002063200000000, 0.0000723800000000, -0.0026738000000000 ] - [ 0.0010622100000000, 0.0015074800000000, -0.0003880800000000 ] - [ -0.0015549400000000, 0.0003076300000000, -0.0003435600000000 ] - [ 0.0001822300000000, 0.0003020500000000, 0.0000491900000000 ] - [ -0.0033476500000000, 0.0011488800000000, 0.0029375100000000 ] - [ -0.0005714800000000, 0.0009789900000000, 0.0007991700000000 ] - [ 0.0003179400000000, 0.0006326400000000, 0.0005521700000000 ] - [ 0.0003674200000000, 0.0001631900000000, -0.0000621100000000 ] - [ -0.0001561900000000, 0.0001576300000000, -0.0000988800000000 ] - [ 0.0000845800000000, 0.0000581400000000, -0.0000413600000000 ] - [ 0.0005769900000000, -0.0014838900000000, -0.0007253200000000 ] - [ -0.0020064200000000, -0.0005384800000000, -0.0024977100000000 ] - [ 0.0006505200000000, -0.0005195600000000, -0.0013907200000000 ] - [ 0.0082197000000000, 0.0262944000000000, -0.1211978400000000 ] - [ -0.0002260200000000, 0.0000983500000000, -0.0007655000000000 ] - [ -0.0002054000000000, 0.0005865200000000, 0.0007665300000000 ] - [ -0.0000504400000000, 0.0000501000000000, 0.0003492800000000 ] - [ -0.0001093300000000, 0.0001660400000000, -0.0001483100000000 ] - [ 0.0000860800000000, 0.0016405000000000, 0.0032946500000000 ] - [ -0.0000757100000000, 0.0001314400000000, 0.0004803700000000 ] - [ 0.0006537900000000, -0.0001225400000000, 0.0006083900000000 ] - [ 0.0075365700000000, 0.0006487300000000, -0.0060441100000000 ] - [ -0.0012692600000000, -0.0009927200000000, 0.0016579600000000 ] - [ -0.0003553700000000, -0.0004460300000000, 0.0006126300000000 ] - [ 0.0007315100000000, 0.0001093800000000, 0.0006718900000000 ] - [ -0.0014331400000000, -0.0014144100000000, 0.0034513800000000 ] - [ 0.0004321800000000, -0.0000279600000000, 0.0001254500000000 ] - [ -0.0019212500000000, -0.0012610000000000, -0.0027516400000000 ] - [ 0.0010264500000000, 0.0012928000000000, -0.0022250800000000 ] - [ 0.0029376500000000, -0.0037693300000000, 0.0069661500000000 ] - [ -0.0005500500000000, 0.0001025100000000, -0.0005543000000000 ] - [ -0.0002857800000000, 0.0000441400000000, -0.0001744900000000 ] - [ 0.0014435300000000, -0.0004629200000000, 0.0026329000000000 ] - [ 0.0016762300000000, 0.0002713200000000, 0.0014741400000000 ] - [ 0.0002395300000000, 0.0000116300000000, 0.0002039000000000 ] - [ 0.0020343800000000, 0.0006246900000000, -0.0026654300000000 ] - [ 0.0004113600000000, -0.0013489100000000, -0.0012210500000000 ] - [ -0.0000606900000000, 0.0002202600000000, -0.0005341900000000 ] - [ -0.0001031700000000, -0.0001072400000000, -0.0005433300000000 ] - [ -0.0004442900000000, -0.0006734800000000, 0.0006577100000000 ] - [ -0.0000221300000000, -0.0002332200000000, 0.0003110500000000 ] - [ -0.0002596600000000, -0.0004911400000000, 0.0002067300000000 ] - [ 0.0001080000000000, -0.0002833000000000, -0.0002246600000000 ] - [ -0.0003494400000000, 0.0004886500000000, 0.0007876600000000 ] - [ 0.0000581000000000, 0.0000062800000000, 0.0002580800000000 ] - [ 0.0006216100000000, -0.0004957900000000, 0.0001327300000000 ] - [ -0.0003377400000000, -0.0003728500000000, -0.0001174000000000 ] - [ -0.0001034300000000, -0.0002170100000000, 0.0004028200000000 ] - [ 0.0000915400000000, -0.0000364700000000, 0.0007402500000000 ] - [ -0.0001847200000000, -0.0000763900000000, -0.0002668900000000 ] - [ 0.0001623400000000, 0.0000593400000000, -0.0001247000000000 ] - [ 0.0019417800000000, -0.0032553900000000, -0.0031661500000000 ] - [ -0.0001492500000000, -0.0001178300000000, -0.0003691900000000 ] - [ 0.0000133700000000, -0.0000319200000000, 0.0003584400000000 ] - [ 0.0001676000000000, 0.0005858700000000, -0.0003635700000000 ] - [ -0.0002276600000000, 0.0005753200000000, 0.0003164400000000 ] - [ 0.0001292800000000, 0.0000102300000000, -0.0002059100000000 ] - [ -0.0000110600000000, -0.0002513500000000, 0.0002451300000000 ] - [ -0.0043222300000000, -0.0083863000000000, -0.0040131100000000 ]- atom: 51 displacement: [ 0.0017344484271470, 0.0000000000000000, -0.0098484358480709 ] forces: - [ -0.0002893400000000, 0.0001414800000000, 0.0003023400000000 ] - [ 0.0002649300000000, 0.0001226600000000, 0.0002057800000000 ] - [ -0.0003213900000000, 0.0003325100000000, 0.0007482200000000 ] - [ -0.0001427200000000, 0.0000056800000000, 0.0006528500000000 ] - [ -0.0001149100000000, 0.0003573000000000, -0.0004678000000000 ] - [ 0.0070843900000000, -0.0123164700000000, -0.0087258300000000 ] - [ -0.0000765200000000, -0.0006578700000000, -0.0019845900000000 ] - [ 0.0002286500000000, -0.0000126200000000, -0.0004439500000000 ] - [ -0.0000563200000000, -0.0002238400000000, 0.0006494900000000 ] - [ -0.0002461200000000, 0.0006060300000000, 0.0010591600000000 ] - [ 0.0000595400000000, 0.0000077100000000, 0.0007123400000000 ] - [ 0.0004585800000000, -0.0000090800000000, 0.0009347600000000 ] - [ 0.0038964200000000, -0.0065274800000000, -0.0086685700000000 ] - [ 0.0000966400000000, 0.0001180400000000, -0.0004503400000000 ] - [ -0.0011710900000000, 0.0000064800000000, -0.0003762900000000 ] - [ 0.0010478800000000, 0.0003231500000000, -0.0017185800000000 ] - [ -0.0000645800000000, -0.0000891100000000, -0.0000257600000000 ] - [ 0.0000505700000000, -0.0002560900000000, 0.0001855700000000 ] - [ 0.0004822300000000, 0.0001001900000000, 0.0009495600000000 ] - [ -0.0002169200000000, 0.0000154400000000, 0.0004787600000000 ] - [ -0.0002146200000000, 0.0005595000000000, -0.0004152700000000 ] - [ -0.0005577300000000, 0.0002472700000000, -0.0005935900000000 ] - [ -0.0002872600000000, 0.0002473300000000, -0.0004894300000000 ] - [ 0.0006871300000000, 0.0008430100000000, -0.0005041300000000 ] - [ 0.0002050700000000, -0.0000947600000000, 0.0006633300000000 ] - [ 0.0001360400000000, 0.0000059800000000, 0.0004689200000000 ] - [ -0.0000334000000000, -0.0000702500000000, 0.0004831500000000 ] - [ -0.0003906200000000, -0.0007604700000000, 0.0012556800000000 ] - [ -0.0002894700000000, -0.0002337800000000, -0.0003544500000000 ] - [ 0.0003282300000000, -0.0009451500000000, -0.0004457600000000 ] - [ 0.0000447400000000, 0.0001479200000000, -0.0005873000000000 ] - [ 0.0000327100000000, -0.0001079600000000, -0.0004933600000000 ] - [ -0.0144720400000000, 0.0032930700000000, -0.0476489700000000 ] - [ 0.0004903700000000, -0.0003049800000000, -0.0009478600000000 ] - [ -0.0014365400000000, -0.0017980100000000, -0.0019572900000000 ] - [ 0.0179983300000000, 0.0300747700000000, -0.0574320900000000 ] - [ 0.0000831300000000, 0.0002680100000000, 0.0001415800000000 ] - [ 0.0001997300000000, -0.0001319000000000, 0.0026544900000000 ] - [ -0.0010532600000000, -0.0013555300000000, 0.0003837500000000 ] - [ 0.0015435500000000, -0.0001659900000000, 0.0003430100000000 ] - [ -0.0001808200000000, -0.0002372200000000, -0.0000478600000000 ] - [ 0.0033820100000000, -0.0010745400000000, -0.0029658600000000 ] - [ 0.0005677800000000, -0.0011165500000000, -0.0008012800000000 ] - [ -0.0003182200000000, -0.0007737800000000, -0.0005543300000000 ] - [ -0.0003659100000000, -0.0002249900000000, 0.0000626100000000 ] - [ 0.0001550800000000, -0.0002181700000000, 0.0000994600000000 ] - [ -0.0000798500000000, 0.0000789700000000, 0.0000401400000000 ] - [ -0.0005765500000000, 0.0016070100000000, 0.0007217100000000 ] - [ 0.0019997400000000, 0.0005689000000000, 0.0023951800000000 ] - [ -0.0006701700000000, 0.0005581900000000, 0.0013165600000000 ] - [ -0.0082931400000000, -0.0282076800000000, 0.1222007100000000 ] - [ 0.0002277500000000, -0.0000601600000000, 0.0007000500000000 ] - [ 0.0001929900000000, -0.0006157400000000, -0.0008349800000000 ] - [ 0.0000376500000000, -0.0000851400000000, -0.0004170600000000 ] - [ 0.0001197400000000, -0.0001983600000000, 0.0002215800000000 ] - [ -0.0000719400000000, -0.0016603700000000, -0.0031991000000000 ] - [ 0.0000772400000000, -0.0001680500000000, -0.0005444100000000 ] - [ -0.0006450300000000, 0.0000824400000000, -0.0006723900000000 ] - [ -0.0076646900000000, -0.0006129200000000, 0.0061446200000000 ] - [ 0.0013373800000000, 0.0010550600000000, -0.0016257500000000 ] - [ 0.0003610700000000, 0.0004204000000000, -0.0005985700000000 ] - [ -0.0007175100000000, -0.0001323600000000, -0.0006565600000000 ] - [ 0.0014150700000000, 0.0013664500000000, -0.0033473300000000 ] - [ -0.0004299400000000, -0.0000108500000000, -0.0000581800000000 ] - [ 0.0019251800000000, 0.0013065100000000, 0.0027461500000000 ] - [ -0.0010342000000000, -0.0012910700000000, 0.0022247600000000 ] - [ -0.0030223500000000, 0.0039236500000000, -0.0071242600000000 ] - [ 0.0005351300000000, -0.0000797200000000, 0.0005476900000000 ] - [ 0.0002749800000000, -0.0000669900000000, 0.0001662500000000 ] - [ -0.0014360700000000, 0.0004314800000000, -0.0026179300000000 ] - [ -0.0017124400000000, -0.0002835300000000, -0.0014286900000000 ] - [ -0.0002264000000000, 0.0000265200000000, -0.0001281800000000 ] - [ -0.0020750300000000, -0.0006040100000000, 0.0026008100000000 ] - [ -0.0004196400000000, 0.0013799700000000, 0.0011406500000000 ] - [ 0.0000615600000000, -0.0001828400000000, 0.0004681800000000 ] - [ 0.0001090300000000, 0.0001456100000000, 0.0004759800000000 ] - [ 0.0004271100000000, 0.0006310300000000, -0.0007243300000000 ] - [ 0.0000101600000000, 0.0001961900000000, -0.0003802200000000 ] - [ 0.0002689800000000, 0.0004520200000000, -0.0001320700000000 ] - [ -0.0000928600000000, 0.0002455700000000, 0.0002935200000000 ] - [ 0.0003492600000000, -0.0005243600000000, -0.0008480000000000 ] - [ -0.0000563300000000, -0.0000431900000000, -0.0003229000000000 ] - [ -0.0006289800000000, 0.0005336900000000, -0.0000656400000000 ] - [ 0.0003341400000000, 0.0004131600000000, 0.0001894300000000 ] - [ 0.0001099400000000, 0.0001905300000000, -0.0003919400000000 ] - [ -0.0000830700000000, 0.0000119700000000, -0.0007272600000000 ] - [ 0.0001819800000000, 0.0000357400000000, 0.0003315400000000 ] - [ -0.0001617100000000, -0.0000972400000000, 0.0001875300000000 ] - [ -0.0019410100000000, 0.0032911400000000, 0.0031700100000000 ] - [ 0.0001575200000000, 0.0001430600000000, 0.0003750100000000 ] - [ -0.0000206400000000, 0.0000554800000000, -0.0003633200000000 ] - [ -0.0001752200000000, -0.0005597600000000, 0.0003620600000000 ] - [ 0.0002184200000000, -0.0005977400000000, -0.0003222000000000 ] - [ -0.0001374000000000, -0.0000351400000000, 0.0001960400000000 ] - [ 0.0000242900000000, 0.0002865200000000, -0.0001712300000000 ] - [ 0.0043919800000000, 0.0085630400000000, 0.0041520200000000 ]- atom: 61 displacement: [ 0.0099999959968920, 0.0000000000000000, 0.0000089477451717 ] forces: - [ 0.0006312700000000, 0.0003516100000000, -0.0000904900000000 ] - [ -0.0016002300000000, -0.0000920800000000, -0.0005610900000000 ] - [ -0.0006279100000000, -0.0000287900000000, 0.0004788000000000 ] - [ 0.0049276300000000, -0.0003585700000000, 0.0032743900000000 ] - [ -0.0001246700000000, 0.0000249000000000, -0.0003152200000000 ] - [ 0.0003102500000000, 0.0000690800000000, -0.0001706000000000 ] - [ 0.0007938600000000, 0.0002644800000000, 0.0002306200000000 ] - [ -0.0017163800000000, -0.0001694000000000, -0.0012929000000000 ] - [ 0.0002970400000000, 0.0001788400000000, 0.0004363300000000 ] - [ -0.0001276200000000, -0.0005542800000000, -0.0004513500000000 ] - [ 0.0042281800000000, -0.0057605700000000, -0.0060360200000000 ] - [ -0.0007583600000000, -0.0003179400000000, 0.0000978600000000 ] - [ 0.0010009700000000, 0.0001366500000000, 0.0005033700000000 ] - [ -0.0005967400000000, 0.0002435400000000, -0.0001470500000000 ] - [ 0.0008458700000000, 0.0010768900000000, -0.0009454200000000 ] - [ -0.0006733400000000, 0.0006697400000000, 0.0006717200000000 ] - [ -0.0010441800000000, -0.0012496600000000, 0.0008767200000000 ] - [ 0.0050547200000000, -0.0075728300000000, -0.0045338500000000 ] - [ 0.0003457700000000, 0.0000299100000000, -0.0001314000000000 ] - [ -0.0005853800000000, 0.0002536000000000, 0.0001097600000000 ] - [ 0.0001785500000000, 0.0000056200000000, 0.0000929600000000 ] - [ -0.0001533600000000, 0.0000047200000000, -0.0000167100000000 ] - [ 0.0002809200000000, 0.0000382200000000, -0.0001165200000000 ] - [ -0.0006906900000000, -0.0007470100000000, 0.0007535600000000 ] - [ 0.0030940600000000, 0.0023332400000000, -0.0022522000000000 ] - [ -0.0003733800000000, 0.0000496200000000, -0.0000141700000000 ] - [ -0.0001368300000000, -0.0001566400000000, 0.0002143300000000 ] - [ -0.0002250300000000, 0.0006090500000000, -0.0004892300000000 ] - [ 0.0004964600000000, -0.0012775400000000, -0.0012311200000000 ] - [ -0.0002191600000000, -0.0000078200000000, 0.0003125900000000 ] - [ 0.0004744800000000, -0.0003666600000000, 0.0000152800000000 ] - [ -0.0004201800000000, -0.0002103900000000, -0.0000811700000000 ] - [ 0.0003607400000000, 0.0006587400000000, 0.0002104900000000 ] - [ -0.0010315400000000, -0.0001431600000000, -0.0005509600000000 ] - [ -0.0001756600000000, -0.0000130200000000, -0.0000811700000000 ] - [ 0.0007446900000000, -0.0002499500000000, 0.0003010400000000 ] - [ -0.0037939600000000, 0.0038313500000000, 0.0020990300000000 ] - [ 0.0415957100000000, 0.0227075800000000, -0.0175936900000000 ] - [ 0.0755124900000000, -0.0031757800000000, 0.0347530800000000 ] - [ -0.0037427200000000, -0.0003875800000000, 0.0010320000000000 ] - [ -0.0002399800000000, -0.0000175900000000, -0.0001636200000000 ] - [ 0.0005557800000000, -0.0001072400000000, 0.0000551000000000 ] - [ 0.0001081000000000, -0.0007083100000000, 0.0001225600000000 ] - [ -0.0007684500000000, 0.0002505600000000, -0.0005315800000000 ] - [ 0.0017948800000000, -0.0010781400000000, 0.0001795100000000 ] - [ -0.0010584900000000, 0.0008538200000000, 0.0006892000000000 ] - [ -0.0006155600000000, 0.0014498400000000, -0.0004577600000000 ] - [ 0.0020186100000000, -0.0019464700000000, -0.0018313300000000 ] - [ -0.0003836700000000, 0.0000161600000000, 0.0005229700000000 ] - [ 0.0002743100000000, -0.0000115100000000, 0.0000169000000000 ] - [ -0.0004429000000000, -0.0001727900000000, -0.0004747200000000 ] - [ 0.0006909300000000, -0.0002471000000000, 0.0008219300000000 ] - [ -0.0007153000000000, -0.0001084700000000, 0.0007542200000000 ] - [ 0.0015721300000000, -0.0032924200000000, -0.0022539000000000 ] - [ 0.0003023100000000, -0.0006876500000000, -0.0002785500000000 ] - [ -0.0041668800000000, 0.0053321400000000, -0.0037122600000000 ] - [ 0.0019304300000000, 0.0000013500000000, 0.0013663800000000 ] - [ 0.0019936900000000, 0.0013171800000000, -0.0016651900000000 ] - [ -0.0000967000000000, 0.0000084700000000, -0.0002677500000000 ] - [ 0.0002008000000000, 0.0008912300000000, 0.0015287900000000 ] - [ -0.1346637200000000, -0.0146784500000000, -0.0138871700000000 ] - [ 0.0015387200000000, 0.0004557900000000, 0.0000202600000000 ] - [ -0.0031163100000000, -0.0038691000000000, 0.0025488200000000 ] - [ 0.0011293100000000, 0.0002165900000000, -0.0003166100000000 ] - [ 0.0000395000000000, -0.0002679800000000, 0.0000610500000000 ] - [ 0.0000385600000000, -0.0000519500000000, -0.0003541800000000 ] - [ -0.0003816400000000, -0.0003647100000000, -0.0003674000000000 ] - [ 0.0003428000000000, 0.0001254300000000, 0.0000967600000000 ] - [ 0.0077873800000000, 0.0016742200000000, 0.0092872300000000 ] - [ 0.0019177500000000, 0.0014835100000000, -0.0010940600000000 ] - [ 0.0004500100000000, 0.0000584700000000, -0.0011081000000000 ] - [ 0.0005069100000000, -0.0000472000000000, 0.0007315800000000 ] - [ -0.0002801200000000, 0.0003558400000000, -0.0003263300000000 ] - [ 0.0000899800000000, 0.0000086900000000, 0.0000133700000000 ] - [ 0.0001352100000000, 0.0002884500000000, 0.0000799900000000 ] - [ -0.0000870400000000, 0.0000054700000000, -0.0001577200000000 ] - [ 0.0004555600000000, 0.0008928400000000, -0.0002935300000000 ] - [ 0.0030616100000000, -0.0016398400000000, -0.0015188300000000 ] - [ -0.0033375500000000, 0.0011618600000000, 0.0000720400000000 ] - [ 0.0010612000000000, -0.0000163300000000, -0.0008157400000000 ] - [ -0.0028820200000000, 0.0018243900000000, 0.0014368900000000 ] - [ 0.0008563700000000, -0.0003562900000000, -0.0000368800000000 ] - [ -0.0003378300000000, 0.0003824300000000, -0.0002536600000000 ] - [ 0.0003133200000000, -0.0000657400000000, 0.0002246300000000 ] - [ 0.0003360700000000, 0.0000959800000000, -0.0000598400000000 ] - [ 0.0003324800000000, 0.0002578400000000, 0.0000081800000000 ] - [ -0.0009528800000000, -0.0000138100000000, -0.0001191000000000 ] - [ 0.0002194600000000, -0.0004006700000000, 0.0002445000000000 ] - [ -0.0003202600000000, 0.0001476600000000, -0.0000323700000000 ] - [ 0.0005610500000000, 0.0002749100000000, 0.0007523400000000 ] - [ 0.0000244700000000, 0.0000515600000000, -0.0001746800000000 ] - [ -0.0000063500000000, -0.0006698000000000, 0.0011179800000000 ] - [ -0.0012658600000000, 0.0008551000000000, 0.0004297200000000 ] - [ 0.0012296000000000, -0.0006865800000000, -0.0001364900000000 ] - [ -0.0000193700000000, -0.0000387200000000, -0.0000893600000000 ] - [ -0.0000867500000000, 0.0001093700000000, 0.0002342600000000 ]- atom: 61 displacement: [ -0.0099999959968920, 0.0000000000000000, -0.0000089477451717 ] forces: - [ -0.0006313900000000, -0.0003935300000000, 0.0000892900000000 ] - [ 0.0016013200000000, 0.0000495800000000, 0.0005626200000000 ] - [ 0.0003962500000000, 0.0000718800000000, -0.0004736200000000 ] - [ -0.0048285200000000, 0.0003831700000000, -0.0029753300000000 ] - [ 0.0001246100000000, 0.0000160600000000, 0.0003163200000000 ] - [ -0.0003098000000000, -0.0000279500000000, 0.0001802600000000 ] - [ -0.0005603500000000, -0.0002156400000000, -0.0002469800000000 ] - [ 0.0019487100000000, 0.0002155500000000, 0.0012857000000000 ] - [ -0.0000685500000000, -0.0002222400000000, -0.0004443500000000 ] - [ 0.0003594900000000, 0.0005123800000000, 0.0004420200000000 ] - [ -0.0041956700000000, 0.0058584200000000, 0.0061274800000000 ] - [ 0.0007596400000000, 0.0003187200000000, -0.0001008100000000 ] - [ -0.0012311100000000, -0.0001810600000000, -0.0004903100000000 ] - [ 0.0003690200000000, -0.0002895500000000, 0.0001628700000000 ] - [ -0.0008517600000000, -0.0010780900000000, 0.0009466200000000 ] - [ 0.0006732700000000, -0.0006730400000000, -0.0006689800000000 ] - [ 0.0010441100000000, 0.0012154300000000, -0.0008824700000000 ] - [ -0.0050201200000000, 0.0073455600000000, 0.0044039200000000 ] - [ -0.0005747800000000, 0.0000078200000000, 0.0001371900000000 ] - [ 0.0003565800000000, -0.0002128900000000, -0.0001051700000000 ] - [ -0.0001792900000000, 0.0000343800000000, -0.0000935100000000 ] - [ 0.0001542900000000, 0.0000356800000000, 0.0000166100000000 ] - [ -0.0000529400000000, 0.0000030800000000, 0.0001026700000000 ] - [ 0.0009198800000000, 0.0007932100000000, -0.0007674700000000 ] - [ -0.0028833100000000, -0.0024461200000000, 0.0023107000000000 ] - [ 0.0006042500000000, -0.0000903800000000, 0.0000060600000000 ] - [ 0.0001334800000000, 0.0001562600000000, -0.0002142600000000 ] - [ 0.0002325100000000, -0.0006148900000000, 0.0004904000000000 ] - [ -0.0007315900000000, 0.0012407100000000, 0.0012489500000000 ] - [ -0.0000081000000000, -0.0000338500000000, -0.0002971000000000 ] - [ -0.0004712600000000, 0.0003635100000000, -0.0000169200000000 ] - [ 0.0004200700000000, 0.0002116600000000, 0.0000822100000000 ] - [ -0.0003642300000000, -0.0005947600000000, -0.0002087100000000 ] - [ 0.0010404400000000, 0.0002014700000000, 0.0005535300000000 ] - [ 0.0001754500000000, -0.0001280000000000, 0.0000815300000000 ] - [ -0.0007455100000000, 0.0001155600000000, -0.0002990900000000 ] - [ 0.0038399900000000, -0.0039662300000000, -0.0021646500000000 ] - [ -0.0407790800000000, -0.0219973800000000, 0.0170782700000000 ] - [ -0.0793067000000000, 0.0028142100000000, -0.0372424700000000 ] - [ 0.0037262300000000, 0.0005313200000000, -0.0010242600000000 ] - [ 0.0002395300000000, 0.0000785800000000, 0.0001633900000000 ] - [ -0.0005586700000000, 0.0001591000000000, -0.0000526900000000 ] - [ -0.0001108000000000, 0.0005692700000000, -0.0001204500000000 ] - [ 0.0007807800000000, -0.0003845500000000, 0.0005348100000000 ] - [ -0.0018048900000000, 0.0009921800000000, -0.0001781800000000 ] - [ 0.0010629400000000, -0.0009082600000000, -0.0006826200000000 ] - [ 0.0006107400000000, -0.0013247400000000, 0.0004594500000000 ] - [ -0.0019805600000000, 0.0020531100000000, 0.0017963100000000 ] - [ 0.0003758000000000, 0.0000175500000000, -0.0006019100000000 ] - [ -0.0002835700000000, 0.0000465600000000, -0.0000960800000000 ] - [ 0.0004438800000000, 0.0002150000000000, 0.0004047400000000 ] - [ -0.0006956400000000, 0.0002924000000000, -0.0008980400000000 ] - [ 0.0006879100000000, 0.0000808800000000, -0.0007859500000000 ] - [ -0.0015909600000000, 0.0032861200000000, 0.0021935600000000 ] - [ -0.0002947900000000, 0.0006626200000000, 0.0003540300000000 ] - [ 0.0040908700000000, -0.0051442800000000, 0.0036919300000000 ] - [ -0.0019734300000000, -0.0000047700000000, -0.0014116400000000 ] - [ -0.0019426800000000, -0.0013082400000000, 0.0015502800000000 ] - [ 0.0000975200000000, 0.0000332600000000, 0.0003406400000000 ] - [ -0.0002116500000000, -0.0008534800000000, -0.0014689600000000 ] - [ 0.1373867100000000, 0.0142740900000000, 0.0168629000000000 ] - [ -0.0015331400000000, -0.0004826800000000, -0.0000061000000000 ] - [ 0.0031575500000000, 0.0037730000000000, -0.0024065200000000 ] - [ -0.0011285600000000, -0.0002513700000000, 0.0003911000000000 ] - [ -0.0000309700000000, 0.0002897400000000, -0.0000568000000000 ] - [ -0.0000323600000000, 0.0000750100000000, 0.0003587900000000 ] - [ 0.0003774500000000, 0.0003862100000000, 0.0003564600000000 ] - [ -0.0003500100000000, -0.0001040200000000, -0.0001034500000000 ] - [ -0.0080230700000000, -0.0016164100000000, -0.0094916700000000 ] - [ -0.0018988000000000, -0.0015138700000000, 0.0010441900000000 ] - [ -0.0004340800000000, -0.0000231100000000, 0.0011796600000000 ] - [ -0.0004964000000000, 0.0000820300000000, -0.0006525100000000 ] - [ 0.0002747400000000, -0.0003173700000000, 0.0002463000000000 ] - [ -0.0000985600000000, 0.0000282700000000, -0.0000906000000000 ] - [ -0.0001351600000000, -0.0002454800000000, -0.0001492100000000 ] - [ 0.0000853500000000, 0.0000358200000000, 0.0000862600000000 ] - [ -0.0004670000000000, -0.0009349200000000, 0.0002086900000000 ] - [ -0.0030515900000000, 0.0015809900000000, 0.0014417200000000 ] - [ 0.0034171000000000, -0.0011864700000000, 0.0000632600000000 ] - [ -0.0010519200000000, -0.0000210500000000, 0.0008905100000000 ] - [ 0.0028787800000000, -0.0018341300000000, -0.0014893000000000 ] - [ -0.0008565900000000, 0.0003173000000000, -0.0000311100000000 ] - [ 0.0003399000000000, -0.0003411900000000, 0.0003221100000000 ] - [ -0.0003134800000000, 0.0001077400000000, -0.0001526300000000 ] - [ -0.0003232400000000, -0.0001090200000000, 0.0000643800000000 ] - [ -0.0003270600000000, -0.0002810000000000, 0.0000031800000000 ] - [ 0.0009603800000000, -0.0000260900000000, 0.0001855500000000 ] - [ -0.0002208200000000, 0.0003686100000000, -0.0001778100000000 ] - [ 0.0003278800000000, -0.0001253000000000, 0.0000388300000000 ] - [ -0.0005588400000000, -0.0002553500000000, -0.0007523400000000 ] - [ -0.0000299500000000, -0.0000289000000000, 0.0001670200000000 ] - [ -0.0000112500000000, 0.0007009900000000, -0.0011476600000000 ] - [ 0.0012494400000000, -0.0008730600000000, -0.0004366200000000 ] - [ -0.0012343700000000, 0.0006593600000000, 0.0001235400000000 ] - [ 0.0000286000000000, 0.0000758300000000, 0.0001663800000000 ] - [ 0.0000954400000000, -0.0000724900000000, -0.0001578700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004626000000000, -0.0001725800000000, 0.0001989100000000 ] - [ -0.0011942300000000, 0.0000750300000000, -0.0007805700000000 ] - [ -0.0005409100000000, 0.0002443200000000, 0.0001763800000000 ] - [ 0.0013184600000000, 0.0015074100000000, 0.0007165800000000 ] - [ -0.0000324700000000, 0.0000756600000000, -0.0000565200000000 ] - [ 0.0000549300000000, 0.0002765500000000, 0.0004326600000000 ] - [ 0.0003859600000000, 0.0003308500000000, -0.0003312000000000 ] - [ -0.0002620400000000, -0.0000698900000000, -0.0000919200000000 ] - [ 0.0002891100000000, -0.0000545300000000, 0.0000602800000000 ] - [ -0.0000786200000000, -0.0001595900000000, -0.0003225100000000 ] - [ -0.0059430800000000, 0.0109725500000000, 0.0107780700000000 ] - [ -0.0002082200000000, -0.0000112900000000, -0.0000630500000000 ] - [ 0.0009061300000000, 0.0000194700000000, 0.0006883900000000 ] - [ -0.0004696900000000, 0.0000272700000000, 0.0000618400000000 ] - [ 0.0002084600000000, 0.0002398100000000, -0.0000896900000000 ] - [ -0.0005502100000000, 0.0009712200000000, 0.0008388000000000 ] - [ -0.0004928600000000, -0.0002093000000000, -0.0000615700000000 ] - [ -0.0069871300000000, 0.0126984500000000, 0.0077427800000000 ] - [ 0.0000796400000000, -0.0003777200000000, -0.0001729200000000 ] - [ -0.0002701400000000, 0.0000024200000000, -0.0000767200000000 ] - [ 0.0000610400000000, -0.0000745500000000, 0.0000330600000000 ] - [ -0.0000571700000000, -0.0000666900000000, 0.0000366900000000 ] - [ 0.0001909300000000, -0.0000535800000000, 0.0000326900000000 ] - [ -0.0006322700000000, -0.0010611500000000, 0.0010309400000000 ] - [ 0.0009980700000000, 0.0032072000000000, -0.0023479500000000 ] - [ 0.0001120600000000, 0.0000060500000000, -0.0000229800000000 ] - [ -0.0001974200000000, -0.0001937700000000, 0.0000811200000000 ] - [ 0.0005410400000000, -0.0009933600000000, 0.0002532000000000 ] - [ -0.0001549400000000, -0.0001849300000000, -0.0001942600000000 ] - [ -0.0000769100000000, -0.0000352200000000, 0.0001373300000000 ] - [ 0.0002471600000000, -0.0003272400000000, -0.0000037200000000 ] - [ -0.0001410500000000, -0.0000187200000000, 0.0000693800000000 ] - [ 0.0003097000000000, 0.0008811100000000, 0.0000565000000000 ] - [ -0.0005017400000000, 0.0003792400000000, 0.0000075500000000 ] - [ -0.0000876100000000, -0.0001482600000000, -0.0000255100000000 ] - [ -0.0000237200000000, -0.0002549400000000, 0.0002130300000000 ] - [ 0.0001699400000000, -0.0000633000000000, 0.0008206600000000 ] - [ 0.0175285900000000, 0.0654342000000000, -0.0307796900000000 ] - [ 0.0025447900000000, 0.0303564100000000, 0.0003733300000000 ] - [ 0.0006529900000000, 0.0006369900000000, -0.0004552700000000 ] - [ -0.0000814300000000, -0.0001167800000000, -0.0000599500000000 ] - [ -0.0002105800000000, -0.0009371800000000, 0.0004650500000000 ] - [ -0.0001718600000000, -0.0001929800000000, 0.0002986600000000 ] - [ 0.0005851200000000, 0.0001777600000000, 0.0002425700000000 ] - [ -0.0005465200000000, -0.0024494100000000, -0.0007100100000000 ] - [ -0.0001572500000000, -0.0010738200000000, -0.0006182300000000 ] - [ -0.0003780100000000, 0.0003710700000000, -0.0002012300000000 ] - [ 0.0030554600000000, -0.0054465500000000, -0.0021899800000000 ] - [ -0.0000984700000000, -0.0002685400000000, 0.0000906100000000 ] - [ 0.0000578700000000, -0.0001225000000000, -0.0001528700000000 ] - [ -0.0002367100000000, -0.0000925800000000, -0.0005111200000000 ] - [ 0.0002642800000000, -0.0000093700000000, 0.0001392000000000 ] - [ 0.0013212500000000, 0.0019688000000000, -0.0018974900000000 ] - [ 0.0002874000000000, -0.0006349400000000, -0.0005477600000000 ] - [ 0.0000186400000000, -0.0001667100000000, -0.0000533800000000 ] - [ 0.0083134200000000, 0.0046769000000000, -0.0079206000000000 ] - [ -0.0012558100000000, -0.0006203400000000, -0.0015592400000000 ] - [ 0.0000519900000000, -0.0006068600000000, 0.0012856400000000 ] - [ -0.0000857600000000, -0.0000018500000000, -0.0000403900000000 ] - [ 0.0004707700000000, -0.0001060300000000, 0.0005682500000000 ] - [ -0.0153823100000000, -0.1183975900000000, 0.0249519100000000 ] - [ 0.0004689300000000, 0.0001851200000000, 0.0001630600000000 ] - [ -0.0039490000000000, 0.0014764300000000, -0.0045916300000000 ] - [ 0.0002538800000000, -0.0003488200000000, 0.0001646600000000 ] - [ 0.0000673200000000, -0.0002568600000000, -0.0002016600000000 ] - [ 0.0002846600000000, -0.0002583200000000, -0.0005628300000000 ] - [ -0.0003796800000000, 0.0001541500000000, 0.0005085800000000 ] - [ 0.0001106800000000, 0.0000352400000000, 0.0000985200000000 ] - [ -0.0016890400000000, -0.0080774900000000, -0.0008723200000000 ] - [ -0.0015167800000000, -0.0047207700000000, 0.0007890100000000 ] - [ 0.0006245600000000, -0.0007412600000000, -0.0009423300000000 ] - [ 0.0000314900000000, -0.0002383200000000, -0.0000413000000000 ] - [ 0.0001300400000000, 0.0006964100000000, -0.0007394500000000 ] - [ 0.0000450700000000, 0.0001103500000000, -0.0000595200000000 ] - [ 0.0000808000000000, 0.0001933900000000, -0.0000416300000000 ] - [ -0.0000698900000000, 0.0000979600000000, -0.0002498000000000 ] - [ 0.0019060800000000, 0.0007795000000000, 0.0020852500000000 ] - [ -0.0021611800000000, 0.0005418400000000, 0.0006282800000000 ] - [ 0.0042713000000000, -0.0000091800000000, 0.0013323500000000 ] - [ 0.0001459500000000, -0.0001140200000000, -0.0002481300000000 ] - [ -0.0018408100000000, 0.0063548600000000, 0.0029649100000000 ] - [ 0.0003485400000000, -0.0000237900000000, 0.0001626300000000 ] - [ 0.0000781500000000, 0.0004036200000000, -0.0005466300000000 ] - [ 0.0000403900000000, 0.0000165100000000, 0.0000155900000000 ] - [ 0.0002713700000000, 0.0002989800000000, -0.0000656200000000 ] - [ 0.0001080300000000, 0.0003004200000000, 0.0002440000000000 ] - [ -0.0000130800000000, 0.0000489300000000, -0.0000192600000000 ] - [ -0.0003978700000000, 0.0006598300000000, 0.0005394600000000 ] - [ -0.0001314700000000, 0.0000757000000000, -0.0000837600000000 ] - [ -0.0002583000000000, 0.0000357000000000, -0.0001172300000000 ] - [ 0.0000356900000000, 0.0000651400000000, -0.0001079300000000 ] - [ -0.0006853900000000, 0.0007815700000000, -0.0017266100000000 ] - [ -0.0008682100000000, 0.0008637100000000, 0.0003549900000000 ] - [ 0.0006688800000000, 0.0004457300000000, 0.0005167500000000 ] - [ 0.0000116900000000, 0.0001308100000000, 0.0000395800000000 ] - [ -0.0000034800000000, 0.0002748200000000, 0.0000662400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004583400000000, 0.0001295100000000, -0.0001921900000000 ] - [ 0.0011918700000000, -0.0001106800000000, 0.0007768000000000 ] - [ 0.0003096200000000, -0.0002061300000000, -0.0001705400000000 ] - [ -0.0015604400000000, -0.0014621900000000, -0.0007154500000000 ] - [ 0.0000329000000000, -0.0000380300000000, 0.0000561400000000 ] - [ -0.0000539500000000, -0.0002402900000000, -0.0004320300000000 ] - [ -0.0001586200000000, -0.0002907000000000, 0.0003142400000000 ] - [ 0.0004874100000000, 0.0001133000000000, 0.0000725200000000 ] - [ -0.0000542200000000, 0.0000135900000000, -0.0000665900000000 ] - [ 0.0003086400000000, 0.0001207500000000, 0.0003175100000000 ] - [ 0.0057331100000000, -0.0107607600000000, -0.0104078000000000 ] - [ 0.0002090900000000, 0.0000115700000000, 0.0000654900000000 ] - [ -0.0011365000000000, -0.0000580200000000, -0.0006750800000000 ] - [ 0.0002374500000000, -0.0000697700000000, -0.0000476600000000 ] - [ -0.0002056300000000, -0.0002364900000000, 0.0000890400000000 ] - [ 0.0005521200000000, -0.0009661700000000, -0.0008402800000000 ] - [ 0.0004952900000000, 0.0001669000000000, 0.0000646500000000 ] - [ 0.0073682400000000, -0.0132689700000000, -0.0081956900000000 ] - [ -0.0003101400000000, 0.0004191000000000, 0.0001786200000000 ] - [ 0.0000384900000000, 0.0000405000000000, 0.0000847700000000 ] - [ -0.0000606600000000, 0.0001125700000000, -0.0000332300000000 ] - [ 0.0000562600000000, 0.0001046900000000, -0.0000367600000000 ] - [ 0.0000411200000000, 0.0000974600000000, -0.0000455800000000 ] - [ 0.0008618200000000, 0.0011053300000000, -0.0010435200000000 ] - [ -0.0008940000000000, -0.0034599600000000, 0.0025632000000000 ] - [ 0.0001206700000000, -0.0000483800000000, 0.0000183300000000 ] - [ 0.0001991200000000, 0.0001949500000000, -0.0000822600000000 ] - [ -0.0005482000000000, 0.0009963000000000, -0.0002550500000000 ] - [ -0.0000722900000000, 0.0001367600000000, 0.0002055300000000 ] - [ -0.0001539300000000, -0.0000123900000000, -0.0001259000000000 ] - [ -0.0002465600000000, 0.0003266900000000, 0.0000060100000000 ] - [ 0.0001410500000000, 0.0000173900000000, -0.0000702500000000 ] - [ -0.0003104200000000, -0.0008179500000000, -0.0000567100000000 ] - [ 0.0005020500000000, -0.0003197400000000, -0.0000080400000000 ] - [ 0.0000885300000000, 0.0000091000000000, 0.0000253100000000 ] - [ 0.0000228400000000, 0.0001185500000000, -0.0002131600000000 ] - [ -0.0001706500000000, 0.0000115600000000, -0.0008116500000000 ] - [ -0.0160126100000000, -0.0636732700000000, 0.0291021600000000 ] - [ -0.0022029700000000, -0.0304497200000000, -0.0001345400000000 ] - [ -0.0006369400000000, -0.0004989000000000, 0.0004590800000000 ] - [ 0.0000824900000000, 0.0001773000000000, 0.0000592600000000 ] - [ 0.0002100700000000, 0.0009977900000000, -0.0004689700000000 ] - [ 0.0001726600000000, 0.0000464400000000, -0.0002999300000000 ] - [ -0.0005895100000000, -0.0003192200000000, -0.0002445000000000 ] - [ 0.0005646100000000, 0.0024204300000000, 0.0007229200000000 ] - [ 0.0001483000000000, 0.0010035300000000, 0.0006162100000000 ] - [ 0.0003818900000000, -0.0002288000000000, 0.0002015300000000 ] - [ -0.0030557600000000, 0.0055466200000000, 0.0021724700000000 ] - [ 0.0000833700000000, 0.0003077100000000, -0.0001609600000000 ] - [ -0.0000713300000000, 0.0001619900000000, 0.0000841600000000 ] - [ 0.0002403300000000, 0.0001288400000000, 0.0004498000000000 ] - [ -0.0002623700000000, 0.0000463700000000, -0.0002016900000000 ] - [ -0.0013117500000000, -0.0019162800000000, 0.0018132200000000 ] - [ -0.0002982700000000, 0.0005873500000000, 0.0004734900000000 ] - [ -0.0000063000000000, 0.0001257700000000, 0.0001263500000000 ] - [ -0.0081943600000000, -0.0046001000000000, 0.0078567300000000 ] - [ 0.0012170300000000, 0.0005880200000000, 0.0014961300000000 ] - [ -0.0000575400000000, 0.0005556600000000, -0.0013442100000000 ] - [ 0.0000816200000000, 0.0000392300000000, 0.0001050300000000 ] - [ -0.0004741600000000, 0.0001428700000000, -0.0005036100000000 ] - [ 0.0136121100000000, 0.1171482100000000, -0.0233406100000000 ] - [ -0.0004732700000000, -0.0002102000000000, -0.0001607600000000 ] - [ 0.0039381400000000, -0.0015185300000000, 0.0046108600000000 ] - [ -0.0002693900000000, 0.0003086200000000, -0.0001085500000000 ] - [ -0.0000617100000000, 0.0002804900000000, 0.0002080900000000 ] - [ -0.0002768800000000, 0.0002807100000000, 0.0005671400000000 ] - [ 0.0003740800000000, -0.0001302500000000, -0.0005153900000000 ] - [ -0.0001164500000000, -0.0000122000000000, -0.0001065600000000 ] - [ 0.0016037400000000, 0.0081240400000000, 0.0008290800000000 ] - [ 0.0014842000000000, 0.0046677800000000, -0.0007634300000000 ] - [ -0.0006050000000000, 0.0007857900000000, 0.0010033000000000 ] - [ -0.0000160300000000, 0.0002768000000000, 0.0001117200000000 ] - [ -0.0001442400000000, -0.0006598200000000, 0.0006681300000000 ] - [ -0.0000579100000000, -0.0000724000000000, -0.0000123000000000 ] - [ -0.0000787300000000, -0.0001534000000000, -0.0000246400000000 ] - [ 0.0000734400000000, -0.0000594500000000, 0.0001857200000000 ] - [ -0.0019714600000000, -0.0008235800000000, -0.0021854400000000 ] - [ 0.0021435200000000, -0.0005666700000000, -0.0006949600000000 ] - [ -0.0043001800000000, -0.0000542100000000, -0.0013275500000000 ] - [ -0.0001291700000000, 0.0000854200000000, 0.0003174900000000 ] - [ 0.0018395600000000, -0.0064291900000000, -0.0030373700000000 ] - [ -0.0003440400000000, -0.0000128100000000, -0.0002257000000000 ] - [ -0.0000823100000000, -0.0003684500000000, 0.0006187900000000 ] - [ -0.0000421800000000, 0.0000213800000000, 0.0000500900000000 ] - [ -0.0002684300000000, -0.0003257500000000, 0.0000740500000000 ] - [ -0.0000986400000000, -0.0003236300000000, -0.0002348200000000 ] - [ 0.0000023800000000, -0.0000885500000000, 0.0000782400000000 ] - [ 0.0003985700000000, -0.0006922600000000, -0.0004793400000000 ] - [ 0.0001385000000000, -0.0000507900000000, 0.0000904700000000 ] - [ 0.0002685900000000, -0.0000100700000000, 0.0001275900000000 ] - [ -0.0000422700000000, -0.0000404500000000, 0.0000997800000000 ] - [ 0.0006852100000000, -0.0007580900000000, 0.0017258800000000 ] - [ 0.0008630800000000, -0.0008904400000000, -0.0003616900000000 ] - [ -0.0006749500000000, -0.0004673300000000, -0.0005210200000000 ] - [ 0.0000001100000000, -0.0000932000000000, 0.0000334200000000 ] - [ 0.0000163700000000, -0.0002370600000000, 0.0000074000000000 ]- atom: 61 displacement: [ -0.0017344484271470, 0.0000000000000000, 0.0098484358480709 ] forces: - [ 0.0002053700000000, -0.0005420200000000, 0.0004105300000000 ] - [ 0.0005877500000000, -0.0002351200000000, 0.0006022000000000 ] - [ 0.0009672600000000, 0.0000137200000000, 0.0003802100000000 ] - [ -0.0003182400000000, -0.0002959800000000, 0.0025342400000000 ] - [ 0.0000177000000000, 0.0000194400000000, -0.0000358500000000 ] - [ -0.0000819300000000, 0.0000413800000000, -0.0016214200000000 ] - [ 0.0000028100000000, 0.0000135100000000, -0.0006915900000000 ] - [ -0.0002722500000000, 0.0000559900000000, -0.0009700500000000 ] - [ 0.0004779200000000, -0.0002046700000000, 0.0005229000000000 ] - [ -0.0003846400000000, -0.0007540800000000, 0.0005216700000000 ] - [ -0.0050008900000000, 0.0084590400000000, 0.0106105700000000 ] - [ -0.0001703400000000, -0.0001273700000000, 0.0005070000000000 ] - [ -0.0007758000000000, 0.0000126000000000, -0.0010004800000000 ] - [ 0.0000250700000000, -0.0000308100000000, -0.0005258600000000 ] - [ 0.0001430900000000, 0.0002695000000000, -0.0007685500000000 ] - [ 0.0003575000000000, -0.0006140400000000, -0.0010397600000000 ] - [ 0.0001020600000000, -0.0003706400000000, 0.0004789600000000 ] - [ -0.0067914500000000, 0.0118106600000000, 0.0085944700000000 ] - [ -0.0001732100000000, -0.0001495500000000, 0.0006374100000000 ] - [ -0.0001635300000000, 0.0001051600000000, 0.0005346900000000 ] - [ 0.0000761600000000, 0.0000211300000000, 0.0000127600000000 ] - [ -0.0000554500000000, 0.0000302200000000, -0.0000510100000000 ] - [ 0.0001430900000000, 0.0000304100000000, -0.0005353600000000 ] - [ 0.0005693300000000, 0.0007791300000000, -0.0013193000000000 ] - [ -0.0004304000000000, -0.0010828000000000, 0.0035934000000000 ] - [ -0.0000198600000000, 0.0000184800000000, 0.0004560400000000 ] - [ 0.0001984700000000, 0.0002001600000000, 0.0003906400000000 ] - [ -0.0004226200000000, 0.0008721100000000, 0.0004547900000000 ] - [ 0.0000988100000000, -0.0003281000000000, -0.0007764200000000 ] - [ -0.0000580200000000, -0.0000699800000000, -0.0006034300000000 ] - [ -0.0000785100000000, 0.0000027000000000, -0.0006479800000000 ] - [ -0.0000365100000000, -0.0000520300000000, -0.0004941100000000 ] - [ 0.0006405900000000, -0.0010120100000000, -0.0008109500000000 ] - [ -0.0011984800000000, -0.0000176800000000, -0.0006601200000000 ] - [ 0.0001370600000000, -0.0002389400000000, 0.0001193800000000 ] - [ 0.0003262700000000, -0.0008828400000000, -0.0009217200000000 ] - [ 0.0013133200000000, 0.0017566600000000, 0.0019475500000000 ] - [ -0.0165433000000000, -0.0274219000000000, 0.0548664200000000 ] - [ 0.0134500000000000, -0.0028783300000000, 0.0470079100000000 ] - [ -0.0004352300000000, 0.0003622100000000, 0.0010026900000000 ] - [ 0.0001756700000000, 0.0001964400000000, 0.0000713800000000 ] - [ 0.0004813700000000, 0.0008993700000000, -0.0005747000000000 ] - [ 0.0006594800000000, 0.0011042100000000, -0.0007205700000000 ] - [ -0.0011912300000000, -0.0001572300000000, -0.0006399800000000 ] - [ -0.0006012700000000, 0.0010006000000000, 0.0008405300000000 ] - [ 0.0003363400000000, 0.0006615300000000, 0.0005641900000000 ] - [ 0.0001872600000000, 0.0003193100000000, 0.0000512200000000 ] - [ -0.0033997500000000, 0.0012789900000000, 0.0029704600000000 ] - [ -0.0002100500000000, -0.0000255900000000, 0.0004933000000000 ] - [ -0.0000137300000000, 0.0000511600000000, 0.0004075200000000 ] - [ 0.0001058700000000, 0.0000120100000000, 0.0006569700000000 ] - [ 0.0006884400000000, -0.0000202800000000, 0.0006278100000000 ] - [ 0.0020292900000000, 0.0005834700000000, -0.0026806900000000 ] - [ 0.0004157300000000, -0.0013638200000000, -0.0012346800000000 ] - [ -0.0000251600000000, -0.0002868700000000, 0.0002907500000000 ] - [ -0.0044251700000000, -0.0086632100000000, -0.0038263400000000 ] - [ -0.0018816400000000, -0.0013233000000000, -0.0027780800000000 ] - [ 0.0009688600000000, 0.0012528200000000, -0.0022758600000000 ] - [ -0.0001141900000000, 0.0001255700000000, -0.0001072900000000 ] - [ 0.0013896100000000, 0.0016086700000000, 0.0026602800000000 ] - [ 0.0085612200000000, 0.0253295500000000, -0.1229835200000000 ] - [ -0.0002510500000000, 0.0000659300000000, -0.0007584900000000 ] - [ 0.0030721900000000, -0.0037512600000000, 0.0070265700000000 ] - [ -0.0005475200000000, 0.0000600100000000, -0.0005169700000000 ] - [ -0.0003569000000000, 0.0006189800000000, 0.0006788600000000 ] - [ 0.0000549700000000, 0.0002251800000000, 0.0007491000000000 ] - [ -0.0002947500000000, 0.0005830100000000, 0.0006437900000000 ] - [ 0.0000361200000000, 0.0000920900000000, -0.0002590600000000 ] - [ 0.0078161700000000, 0.0005388500000000, -0.0057645600000000 ] - [ -0.0013537000000000, -0.0010251000000000, 0.0016287600000000 ] - [ -0.0022984700000000, -0.0002125500000000, 0.0031260500000000 ] - [ 0.0003582700000000, 0.0000965200000000, 0.0002585200000000 ] - [ -0.0005616200000000, -0.0001037500000000, 0.0011119500000000 ] - [ -0.0000944300000000, 0.0000021300000000, 0.0002359500000000 ] - [ -0.0004210800000000, -0.0006035500000000, 0.0006131900000000 ] - [ 0.0001018600000000, -0.0001068200000000, 0.0004016800000000 ] - [ -0.0020041600000000, -0.0005908300000000, -0.0025403600000000 ] - [ 0.0006742700000000, -0.0005635100000000, -0.0014176000000000 ] - [ 0.0017295700000000, 0.0002436100000000, 0.0014629900000000 ] - [ 0.0002356800000000, -0.0000032300000000, 0.0001828200000000 ] - [ 0.0019620900000000, -0.0033073300000000, -0.0031984100000000 ] - [ -0.0001621800000000, -0.0001369000000000, -0.0004078700000000 ] - [ -0.0001984000000000, -0.0003653900000000, 0.0003611200000000 ] - [ 0.0000000900000000, -0.0000391600000000, -0.0001907600000000 ] - [ -0.0000511900000000, 0.0002056200000000, -0.0005280800000000 ] - [ -0.0001135300000000, -0.0001269600000000, -0.0005396300000000 ] - [ 0.0000330000000000, -0.0000477200000000, 0.0003992100000000 ] - [ 0.0001607800000000, 0.0005481600000000, -0.0003281600000000 ] - [ 0.0000241900000000, 0.0000736300000000, 0.0004380100000000 ] - [ 0.0006500300000000, 0.0000872500000000, 0.0007005100000000 ] - [ -0.0001763900000000, -0.0000980200000000, -0.0001128700000000 ] - [ 0.0011170200000000, -0.0015791800000000, 0.0024379900000000 ] - [ 0.0006390200000000, -0.0005163900000000, 0.0001084600000000 ] - [ -0.0003461400000000, -0.0004060800000000, -0.0001441600000000 ] - [ -0.0000000300000000, 0.0000086100000000, -0.0003007000000000 ] - [ 0.0000003300000000, -0.0000145900000000, -0.0000830200000000 ]- atom: 61 displacement: [ 0.0017344484271470, 0.0000000000000000, -0.0098484358480709 ] forces: - [ -0.0002105200000000, 0.0005082000000000, -0.0004095400000000 ] - [ -0.0005832600000000, 0.0001978900000000, -0.0006026700000000 ] - [ -0.0011832400000000, 0.0000274700000000, -0.0003707400000000 ] - [ 0.0002027800000000, 0.0003332300000000, -0.0024542200000000 ] - [ -0.0000170800000000, 0.0000210300000000, 0.0000347800000000 ] - [ 0.0000811900000000, -0.0000012500000000, 0.0016017400000000 ] - [ 0.0002295500000000, 0.0000264700000000, 0.0006753800000000 ] - [ 0.0004953600000000, -0.0000139200000000, 0.0009488600000000 ] - [ -0.0002448600000000, 0.0001627300000000, -0.0005233800000000 ] - [ 0.0006110300000000, 0.0007074600000000, -0.0005226200000000 ] - [ 0.0047477300000000, -0.0079876600000000, -0.0102351800000000 ] - [ 0.0001709200000000, 0.0001261500000000, -0.0005009800000000 ] - [ 0.0005460200000000, -0.0000525500000000, 0.0010067400000000 ] - [ -0.0002547300000000, -0.0000120600000000, 0.0005361200000000 ] - [ -0.0001426000000000, -0.0002670200000000, 0.0007629400000000 ] - [ -0.0003560800000000, 0.0006114200000000, 0.0010335700000000 ] - [ -0.0001054300000000, 0.0003260600000000, -0.0004771800000000 ] - [ 0.0069479900000000, -0.0121702200000000, -0.0086676900000000 ] - [ -0.0000574800000000, 0.0001913000000000, -0.0006248000000000 ] - [ -0.0000661300000000, -0.0000620000000000, -0.0005234800000000 ] - [ -0.0000755100000000, 0.0000197000000000, -0.0000124100000000 ] - [ 0.0000551400000000, 0.0000106400000000, 0.0000508100000000 ] - [ 0.0000869800000000, 0.0000133800000000, 0.0005170400000000 ] - [ -0.0003377400000000, -0.0007317400000000, 0.0013001300000000 ] - [ 0.0005528300000000, 0.0008249000000000, -0.0034290700000000 ] - [ 0.0002496700000000, -0.0000597500000000, -0.0004578300000000 ] - [ -0.0001973100000000, -0.0001991900000000, -0.0003856900000000 ] - [ 0.0004195200000000, -0.0008676400000000, -0.0004486300000000 ] - [ -0.0003254700000000, 0.0002803400000000, 0.0007830300000000 ] - [ -0.0001708200000000, 0.0000265500000000, 0.0006118500000000 ] - [ 0.0000789600000000, -0.0000031000000000, 0.0006432800000000 ] - [ 0.0000360700000000, 0.0000516300000000, 0.0004897600000000 ] - [ -0.0006352100000000, 0.0010638300000000, 0.0008029500000000 ] - [ 0.0011898000000000, 0.0000787600000000, 0.0006543300000000 ] - [ -0.0001340700000000, 0.0001003500000000, -0.0001180900000000 ] - [ -0.0003225400000000, 0.0007418700000000, 0.0009149200000000 ] - [ -0.0013282200000000, -0.0018189300000000, -0.0019506700000000 ] - [ 0.0172831100000000, 0.0289165300000000, -0.0559581700000000 ] - [ -0.0139107900000000, 0.0031842300000000, -0.0472795600000000 ] - [ 0.0004476000000000, -0.0002292700000000, -0.0010082800000000 ] - [ -0.0001730200000000, -0.0001322500000000, -0.0000696700000000 ] - [ -0.0004772100000000, -0.0008308100000000, 0.0005683500000000 ] - [ -0.0006523300000000, -0.0012338900000000, 0.0007138000000000 ] - [ 0.0011814300000000, 0.0000183000000000, 0.0006350500000000 ] - [ 0.0005974900000000, -0.0010661000000000, -0.0008419100000000 ] - [ -0.0003379100000000, -0.0007269600000000, -0.0005668500000000 ] - [ -0.0001831700000000, -0.0001816700000000, -0.0000515800000000 ] - [ 0.0034318900000000, -0.0011304200000000, -0.0029968700000000 ] - [ 0.0001948000000000, 0.0000618300000000, -0.0005619300000000 ] - [ 0.0000025800000000, -0.0000150300000000, -0.0004777700000000 ] - [ -0.0001031100000000, 0.0000262700000000, -0.0007171500000000 ] - [ -0.0006812600000000, 0.0000584600000000, -0.0006873000000000 ] - [ -0.0020675700000000, -0.0006323300000000, 0.0026150700000000 ] - [ -0.0004249000000000, 0.0013255400000000, 0.0011563300000000 ] - [ 0.0000383500000000, 0.0002536200000000, -0.0002165800000000 ] - [ 0.0044965700000000, 0.0087746700000000, 0.0039633400000000 ] - [ 0.0018813400000000, 0.0013035600000000, 0.0026970900000000 ] - [ -0.0009831600000000, -0.0013143600000000, 0.0022007100000000 ] - [ 0.0001108600000000, -0.0000863200000000, 0.0001741900000000 ] - [ -0.0013800600000000, -0.0015528300000000, -0.0025719900000000 ] - [ -0.0086044300000000, -0.0272564200000000, 0.1239324400000000 ] - [ 0.0002566000000000, -0.0000912100000000, 0.0007685200000000 ] - [ -0.0031550500000000, 0.0038423000000000, -0.0071110600000000 ] - [ 0.0005390100000000, -0.0001004900000000, 0.0005853000000000 ] - [ 0.0003606600000000, -0.0005887900000000, -0.0006647900000000 ] - [ -0.0000456300000000, -0.0001996300000000, -0.0007385800000000 ] - [ 0.0002857900000000, -0.0005538400000000, -0.0006496200000000 ] - [ -0.0000440800000000, -0.0000676600000000, 0.0002475500000000 ] - [ -0.0079498700000000, -0.0005658800000000, 0.0057918000000000 ] - [ 0.0014162800000000, 0.0010218700000000, -0.0016764800000000 ] - [ 0.0022849300000000, 0.0002489600000000, -0.0030196200000000 ] - [ -0.0003419300000000, -0.0000604900000000, -0.0001832000000000 ] - [ 0.0005454800000000, 0.0001362000000000, -0.0011760400000000 ] - [ 0.0000821600000000, 0.0000329000000000, -0.0003081400000000 ] - [ 0.0004176700000000, 0.0006368400000000, -0.0006756600000000 ] - [ -0.0000988000000000, 0.0001446100000000, -0.0004657600000000 ] - [ 0.0019985000000000, 0.0005530000000000, 0.0024384000000000 ] - [ -0.0006936500000000, 0.0005317600000000, 0.0013451300000000 ] - [ -0.0017671000000000, -0.0003230600000000, -0.0014172700000000 ] - [ -0.0002212100000000, -0.0000283000000000, -0.0001088800000000 ] - [ -0.0019659400000000, 0.0032785700000000, 0.0031290200000000 ] - [ 0.0001643900000000, 0.0001005400000000, 0.0003402400000000 ] - [ 0.0001942600000000, 0.0003999000000000, -0.0002868300000000 ] - [ -0.0000024900000000, 0.0000773100000000, 0.0002574700000000 ] - [ 0.0000587000000000, -0.0002311600000000, 0.0005375200000000 ] - [ 0.0001246800000000, 0.0001019100000000, 0.0005494300000000 ] - [ -0.0000343300000000, 0.0000070700000000, -0.0003293100000000 ] - [ -0.0001615500000000, -0.0005843800000000, 0.0004012200000000 ] - [ -0.0000154800000000, -0.0000490500000000, -0.0004277500000000 ] - [ -0.0006349400000000, -0.0000623900000000, -0.0006871900000000 ] - [ 0.0001671500000000, 0.0001219800000000, 0.0001028800000000 ] - [ -0.0011115600000000, 0.0015854100000000, -0.0024234500000000 ] - [ -0.0006525400000000, 0.0004901200000000, -0.0001178000000000 ] - [ 0.0003365800000000, 0.0003828400000000, 0.0001395100000000 ] - [ 0.0000114000000000, 0.0000254800000000, 0.0003733900000000 ] - [ 0.0000115700000000, 0.0000481200000000, 0.0001559600000000 ]