# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5ba482a1-8b17-4b38-bd28-f7a86636e1ed/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 LuTaO4 / C2/c (15) / materials id 12862](https://mdr.nims.go.jp/datasets/5ac8f430-9a01-49fc-a46a-aea07f44e828) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "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, 3 ]primitive_cell: lattice: - [ 3.425931965000000, -5.350446835000000, -0.003229660000000 ] # a - [ 3.425931965000000, 5.350446835000000, -0.003229660000000 ] # b - [ -3.278990670000000, 0.000000000000000, 3.773131460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.278001260000000, 0.217333920000000, 0.223299440000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.782666080000000, 0.721998740000000, 0.276700560000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.721998740000000, 0.782666080000000, 0.776700560000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.217333920000000, 0.278001260000000, 0.723299440000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.050412070000000, 0.623612550000000, 0.839464700000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.376387450000000, 0.949587930000000, 0.660535300000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.949587930000000, 0.376387450000000, 0.160535300000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.623612550000000, 0.050412070000000, 0.339464700000000 ] mass: 15.999400 - symbol: Lu # 9 coordinates: [ 0.631810090000000, 0.368189910000000, 0.750000000000000 ] mass: 174.966800 - symbol: Lu # 10 coordinates: [ 0.368189910000000, 0.631810090000000, 0.250000000000000 ] mass: 174.966800 - symbol: Ta # 11 coordinates: [ 0.102769870000000, 0.897230130000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 12 coordinates: [ 0.897230130000000, 0.102769870000000, 0.250000000000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.146065352682103, -0.093450138917229, 0.126936189139531 ] # a* - [ 0.146065352682103, 0.093450138917229, 0.126936189139531 ] # b* - [ 0.000250053003424, 0.000000000000000, 0.265249152348705 ] # c*unit_cell: lattice: - [ 6.851863930000000, 0.000000000000000, -0.006459320000000 ] # a - [ 0.000000000000000, 10.700893669999999, 0.000000000000000 ] # b - [ -3.278990670000000, 0.000000000000000, 3.773131460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.747667590000000, 0.469666330000000, 0.223299440000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.252332410000000, 0.469666330000000, 0.276700560000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.752332410000000, 0.030333670000000, 0.776700560000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.247667590000000, 0.030333670000000, 0.723299440000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.337012310000000, 0.286600240000000, 0.839464700000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.662987690000000, 0.286600240000000, 0.660535300000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.162987690000000, 0.213399760000000, 0.160535300000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.837012310000000, 0.213399760000000, 0.339464700000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.247667590000000, 0.969666330000000, 0.223299440000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.752332410000000, 0.969666330000000, 0.276700560000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 11 coordinates: [ 0.252332410000000, 0.530333670000000, 0.776700560000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 12 coordinates: [ 0.747667590000000, 0.530333670000000, 0.723299440000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.837012310000000, 0.786600240000000, 0.839464700000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 14 coordinates: [ 0.162987690000000, 0.786600240000000, 0.660535300000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 15 coordinates: [ 0.662987690000000, 0.713399760000000, 0.160535300000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 16 coordinates: [ 0.337012310000000, 0.713399760000000, 0.339464700000000 ] mass: 15.999400 reduced_to: 8 - symbol: Lu # 17 coordinates: [ 0.000000000000000, 0.368189910000000, 0.750000000000000 ] mass: 174.966800 reduced_to: 17 - symbol: Lu # 18 coordinates: [ 0.500000000000000, 0.131810090000000, 0.250000000000000 ] mass: 174.966800 reduced_to: 18 - symbol: Lu # 19 coordinates: [ 0.500000000000000, 0.868189910000000, 0.750000000000000 ] mass: 174.966800 reduced_to: 17 - symbol: Lu # 20 coordinates: [ 0.000000000000000, 0.631810090000000, 0.250000000000000 ] mass: 174.966800 reduced_to: 18 - symbol: Ta # 21 coordinates: [ 0.500000000000000, 0.397230130000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 22 coordinates: [ 0.000000000000000, 0.102769870000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 22 - symbol: Ta # 23 coordinates: [ 0.000000000000000, 0.897230130000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 24 coordinates: [ 0.500000000000000, 0.602769870000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 22supercell: lattice: - [ 13.703727860000001, 0.000000000000000, -0.012918640000000 ] # a - [ 0.000000000000000, 10.700893669999999, 0.000000000000000 ] # b - [ -9.836972010000000, 0.000000000000000, 11.319394380000000 ] # c points: - symbol: O # 1 coordinates: [ 0.373833795000000, 0.469666330000000, 0.074433146666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.873833795000000, 0.469666330000000, 0.074433146666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.373833795000000, 0.469666330000000, 0.407766480000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.873833795000000, 0.469666330000000, 0.407766480000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.373833795000000, 0.469666330000000, 0.741099813333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.873833795000000, 0.469666330000000, 0.741099813333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.126166205000000, 0.469666330000000, 0.092233520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.626166205000000, 0.469666330000000, 0.092233520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.126166205000000, 0.469666330000000, 0.425566853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.626166205000000, 0.469666330000000, 0.425566853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.126166205000000, 0.469666330000000, 0.758900186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.626166205000000, 0.469666330000000, 0.758900186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.376166205000000, 0.030333670000000, 0.258900186666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.876166205000000, 0.030333670000000, 0.258900186666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.376166205000000, 0.030333670000000, 0.592233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.876166205000000, 0.030333670000000, 0.592233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.376166205000000, 0.030333670000000, 0.925566853333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.876166205000000, 0.030333670000000, 0.925566853333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.123833795000000, 0.030333670000000, 0.241099813333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.623833795000000, 0.030333670000000, 0.241099813333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.123833795000000, 0.030333670000000, 0.574433146666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.623833795000000, 0.030333670000000, 0.574433146666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.123833795000000, 0.030333670000000, 0.907766480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.623833795000000, 0.030333670000000, 0.907766480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.168506155000000, 0.286600240000000, 0.279821566666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.668506155000000, 0.286600240000000, 0.279821566666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.168506155000000, 0.286600240000000, 0.613154900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.668506155000000, 0.286600240000000, 0.613154900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.168506155000000, 0.286600240000000, 0.946488233333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.668506155000000, 0.286600240000000, 0.946488233333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.331493845000000, 0.286600240000000, 0.220178433333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.831493845000000, 0.286600240000000, 0.220178433333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.331493845000000, 0.286600240000000, 0.553511766666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.831493845000000, 0.286600240000000, 0.553511766666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.331493845000000, 0.286600240000000, 0.886845100000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.831493845000000, 0.286600240000000, 0.886845100000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.081493845000000, 0.213399760000000, 0.053511766666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.581493845000000, 0.213399760000000, 0.053511766666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.081493845000000, 0.213399760000000, 0.386845100000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.581493845000000, 0.213399760000000, 0.386845100000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.081493845000000, 0.213399760000000, 0.720178433333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.581493845000000, 0.213399760000000, 0.720178433333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.418506155000000, 0.213399760000000, 0.113154900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.918506155000000, 0.213399760000000, 0.113154900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.418506155000000, 0.213399760000000, 0.446488233333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.918506155000000, 0.213399760000000, 0.446488233333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.418506155000000, 0.213399760000000, 0.779821566666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.918506155000000, 0.213399760000000, 0.779821566666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.123833795000000, 0.969666330000000, 0.074433146666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.623833795000000, 0.969666330000000, 0.074433146666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.123833795000000, 0.969666330000000, 0.407766480000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.623833795000000, 0.969666330000000, 0.407766480000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.123833795000000, 0.969666330000000, 0.741099813333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.623833795000000, 0.969666330000000, 0.741099813333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.376166205000000, 0.969666330000000, 0.092233520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.876166205000000, 0.969666330000000, 0.092233520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.376166205000000, 0.969666330000000, 0.425566853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 58 coordinates: [ 0.876166205000000, 0.969666330000000, 0.425566853333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 59 coordinates: [ 0.376166205000000, 0.969666330000000, 0.758900186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 60 coordinates: [ 0.876166205000000, 0.969666330000000, 0.758900186666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 61 coordinates: [ 0.126166205000000, 0.530333670000000, 0.258900186666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.626166205000000, 0.530333670000000, 0.258900186666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.126166205000000, 0.530333670000000, 0.592233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.626166205000000, 0.530333670000000, 0.592233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.126166205000000, 0.530333670000000, 0.925566853333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 66 coordinates: [ 0.626166205000000, 0.530333670000000, 0.925566853333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 67 coordinates: [ 0.373833795000000, 0.530333670000000, 0.241099813333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.873833795000000, 0.530333670000000, 0.241099813333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.373833795000000, 0.530333670000000, 0.574433146666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 70 coordinates: [ 0.873833795000000, 0.530333670000000, 0.574433146666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 71 coordinates: [ 0.373833795000000, 0.530333670000000, 0.907766480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 72 coordinates: [ 0.873833795000000, 0.530333670000000, 0.907766480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 73 coordinates: [ 0.418506155000000, 0.786600240000000, 0.279821566666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.918506155000000, 0.786600240000000, 0.279821566666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.418506155000000, 0.786600240000000, 0.613154900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 76 coordinates: [ 0.918506155000000, 0.786600240000000, 0.613154900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 77 coordinates: [ 0.418506155000000, 0.786600240000000, 0.946488233333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 78 coordinates: [ 0.918506155000000, 0.786600240000000, 0.946488233333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 79 coordinates: [ 0.081493845000000, 0.786600240000000, 0.220178433333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.581493845000000, 0.786600240000000, 0.220178433333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.081493845000000, 0.786600240000000, 0.553511766666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 82 coordinates: [ 0.581493845000000, 0.786600240000000, 0.553511766666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 83 coordinates: [ 0.081493845000000, 0.786600240000000, 0.886845100000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 84 coordinates: [ 0.581493845000000, 0.786600240000000, 0.886845100000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 85 coordinates: [ 0.331493845000000, 0.713399760000000, 0.053511766666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.831493845000000, 0.713399760000000, 0.053511766666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.331493845000000, 0.713399760000000, 0.386845100000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.831493845000000, 0.713399760000000, 0.386845100000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.331493845000000, 0.713399760000000, 0.720178433333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 90 coordinates: [ 0.831493845000000, 0.713399760000000, 0.720178433333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 91 coordinates: [ 0.168506155000000, 0.713399760000000, 0.113154900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.668506155000000, 0.713399760000000, 0.113154900000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.168506155000000, 0.713399760000000, 0.446488233333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 94 coordinates: [ 0.668506155000000, 0.713399760000000, 0.446488233333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 95 coordinates: [ 0.168506155000000, 0.713399760000000, 0.779821566666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 96 coordinates: [ 0.668506155000000, 0.713399760000000, 0.779821566666667 ] mass: 15.999400 reduced_to: 43 - symbol: Lu # 97 coordinates: [ 0.000000000000000, 0.368189910000000, 0.250000000000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 98 coordinates: [ 0.500000000000000, 0.368189910000000, 0.250000000000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 99 coordinates: [ 0.000000000000000, 0.368189910000000, 0.583333333333333 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 100 coordinates: [ 0.500000000000000, 0.368189910000000, 0.583333333333333 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 101 coordinates: [ 0.000000000000000, 0.368189910000000, 0.916666666666667 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 102 coordinates: [ 0.500000000000000, 0.368189910000000, 0.916666666666667 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 103 coordinates: [ 0.250000000000000, 0.131810090000000, 0.083333333333333 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 104 coordinates: [ 0.750000000000000, 0.131810090000000, 0.083333333333333 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 105 coordinates: [ 0.250000000000000, 0.131810090000000, 0.416666666666667 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 106 coordinates: [ 0.750000000000000, 0.131810090000000, 0.416666666666667 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 107 coordinates: [ 0.250000000000000, 0.131810090000000, 0.750000000000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 108 coordinates: [ 0.750000000000000, 0.131810090000000, 0.750000000000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 109 coordinates: [ 0.250000000000000, 0.868189910000000, 0.250000000000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 110 coordinates: [ 0.750000000000000, 0.868189910000000, 0.250000000000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 111 coordinates: [ 0.250000000000000, 0.868189910000000, 0.583333333333333 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 112 coordinates: [ 0.750000000000000, 0.868189910000000, 0.583333333333333 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 113 coordinates: [ 0.250000000000000, 0.868189910000000, 0.916666666666667 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 114 coordinates: [ 0.750000000000000, 0.868189910000000, 0.916666666666667 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 115 coordinates: [ 0.000000000000000, 0.631810090000000, 0.083333333333333 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 116 coordinates: [ 0.500000000000000, 0.631810090000000, 0.083333333333333 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 117 coordinates: [ 0.000000000000000, 0.631810090000000, 0.416666666666667 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 118 coordinates: [ 0.500000000000000, 0.631810090000000, 0.416666666666667 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 119 coordinates: [ 0.000000000000000, 0.631810090000000, 0.750000000000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 120 coordinates: [ 0.500000000000000, 0.631810090000000, 0.750000000000000 ] mass: 174.966800 reduced_to: 103 - symbol: Ta # 121 coordinates: [ 0.250000000000000, 0.397230130000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 122 coordinates: [ 0.750000000000000, 0.397230130000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 123 coordinates: [ 0.250000000000000, 0.397230130000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 124 coordinates: [ 0.750000000000000, 0.397230130000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 125 coordinates: [ 0.250000000000000, 0.397230130000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 126 coordinates: [ 0.750000000000000, 0.397230130000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 127 coordinates: [ 0.000000000000000, 0.102769870000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 128 coordinates: [ 0.500000000000000, 0.102769870000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 129 coordinates: [ 0.000000000000000, 0.102769870000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 130 coordinates: [ 0.500000000000000, 0.102769870000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 131 coordinates: [ 0.000000000000000, 0.102769870000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 132 coordinates: [ 0.500000000000000, 0.102769870000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 133 coordinates: [ 0.000000000000000, 0.897230130000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 134 coordinates: [ 0.500000000000000, 0.897230130000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 135 coordinates: [ 0.000000000000000, 0.897230130000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 136 coordinates: [ 0.500000000000000, 0.897230130000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 137 coordinates: [ 0.000000000000000, 0.897230130000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 138 coordinates: [ 0.500000000000000, 0.897230130000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 139 coordinates: [ 0.250000000000000, 0.602769870000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 140 coordinates: [ 0.750000000000000, 0.602769870000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 141 coordinates: [ 0.250000000000000, 0.602769870000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 142 coordinates: [ 0.750000000000000, 0.602769870000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 143 coordinates: [ 0.250000000000000, 0.602769870000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 144 coordinates: [ 0.750000000000000, 0.602769870000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 127born_effective_charge:- # 1 (O) - [ -1.941640220000000, 0.285510620000000, 0.138436120000000 ] - [ 0.206969760000000, -2.124939600000000, -0.474864320000000 ] - [ 0.109742980000000, -0.565899640000000, -3.227684450000000 ]- # 2 (O) - [ -1.941640220000000, -0.285510620000000, 0.138436120000000 ] - [ -0.206969760000000, -2.124939600000000, 0.474864320000000 ] - [ 0.109742980000000, 0.565899640000000, -3.227684450000000 ]- # 3 (O) - [ -1.941640220000000, 0.285510620000000, 0.138436120000000 ] - [ 0.206969760000000, -2.124939600000000, -0.474864320000000 ] - [ 0.109742980000000, -0.565899640000000, -3.227684450000000 ]- # 4 (O) - [ -1.941640220000000, -0.285510620000000, 0.138436120000000 ] - [ -0.206969760000000, -2.124939600000000, 0.474864320000000 ] - [ 0.109742980000000, 0.565899640000000, -3.227684450000000 ]- # 5 (O) - [ -3.181993690000001, -0.878944430000000, 0.313725330000000 ] - [ -0.918144280000000, -2.552106760000000, 0.532563450000000 ] - [ 0.369095670000000, 0.418118270000000, -1.587508370000000 ]- # 6 (O) - [ -3.181993690000001, 0.878944430000000, 0.313725330000000 ] - [ 0.918144280000001, -2.552106760000000, -0.532563450000000 ] - [ 0.369095670000000, -0.418118270000000, -1.587508370000000 ]- # 7 (O) - [ -3.181993690000001, -0.878944430000000, 0.313725330000000 ] - [ -0.918144280000001, -2.552106760000000, 0.532563450000000 ] - [ 0.369095670000000, 0.418118270000000, -1.587508370000000 ]- # 8 (O) - [ -3.181993690000001, 0.878944430000000, 0.313725330000000 ] - [ 0.918144280000001, -2.552106760000000, -0.532563450000000 ] - [ 0.369095670000000, -0.418118270000000, -1.587508370000000 ]- # 9 (Lu) - [ 4.410959290000000, -0.000000000000000, -0.008342190000000 ] - [ 0.000000000000000, 3.809508740000000, -0.000000000000000 ] - [ 0.375375830000000, -0.000000000000000, 4.236655520000000 ]- # 10 (Lu) - [ 4.410959290000000, -0.000000000000000, -0.008342190000000 ] - [ 0.000000000000000, 3.809508740000000, -0.000000000000000 ] - [ 0.375375830000000, -0.000000000000000, 4.236655520000000 ]- # 11 (Ta) - [ 5.836308530000000, 0.000000000000000, -0.895980710000000 ] - [ 0.000000000000000, 5.544583960000000, -0.000000000000000 ] - [ -1.333053130000000, 0.000000000000000, 5.393730120000000 ]- # 12 (Ta) - [ 5.836308530000000, 0.000000000000000, -0.895980710000000 ] - [ 0.000000000000000, 5.544583960000000, -0.000000000000000 ] - [ -1.333053130000000, 0.000000000000000, 5.393730120000000 ]dielectric_constant: - [ 4.917182050000000, 0.000000000000000, -0.318427620000000 ] - [ 0.000000000000000, 4.639273800000000, 0.000000000000000 ] - [ -0.318433250000000, 0.000000000000000, 4.740655910000000 ]displacements:- atom: 1 displacement: [ 0.0099999955564931, 0.0000000000000000, -0.0000094270948691 ] forces: - [ -0.0780544400000000, -0.0031025200000000, -0.0107580400000000 ] - [ 0.0013478900000000, 0.0000050700000000, -0.0000451300000000 ] - [ 0.0011224800000000, 0.0001838400000000, -0.0022238100000000 ] - [ 0.0003601200000000, 0.0002885600000000, 0.0014666600000000 ] - [ 0.0011001800000000, -0.0007676500000000, -0.0020365400000000 ] - [ 0.0003506500000000, 0.0004294400000000, 0.0019892300000000 ] - [ 0.0025732400000000, 0.0017272900000000, -0.0010208000000000 ] - [ 0.0058776900000000, -0.0003439100000000, 0.0017306600000000 ] - [ 0.0010562300000000, 0.0004066100000000, -0.0007726600000000 ] - [ -0.0013307700000000, -0.0000808300000000, 0.0004737600000000 ] - [ -0.0004097500000000, -0.0000094200000000, 0.0005238100000000 ] - [ 0.0007371200000000, 0.0000979700000000, -0.0003411200000000 ] - [ -0.0005611300000000, 0.0000193200000000, -0.0003669200000000 ] - [ 0.0006333100000000, -0.0003669000000000, -0.0000529500000000 ] - [ 0.0004276700000000, -0.0001931700000000, -0.0005185300000000 ] - [ -0.0001617400000000, 0.0000329100000000, 0.0005620000000000 ] - [ -0.0003210300000000, -0.0000659800000000, -0.0003908500000000 ] - [ 0.0005962600000000, -0.0002257100000000, 0.0000914600000000 ] - [ 0.0004079000000000, -0.0000979700000000, -0.0001853700000000 ] - [ -0.0004673500000000, -0.0004526500000000, 0.0005986900000000 ] - [ -0.0001583800000000, -0.0001544600000000, -0.0000173800000000 ] - [ -0.0001484100000000, -0.0000552900000000, 0.0000942500000000 ] - [ -0.0004478400000000, 0.0000423200000000, 0.0004959900000000 ] - [ 0.0004205000000000, 0.0000814100000000, -0.0002068500000000 ] - [ 0.0019470500000000, 0.0010967700000000, -0.0007777000000000 ] - [ -0.0009113000000000, -0.0014595500000000, 0.0010857300000000 ] - [ -0.0002173000000000, -0.0004695200000000, -0.0000405900000000 ] - [ -0.0003115300000000, -0.0002072300000000, 0.0000703000000000 ] - [ -0.0018607900000000, 0.0039718600000000, 0.0064856000000000 ] - [ 0.0012039200000000, -0.0000833200000000, -0.0002871400000000 ] - [ 0.0000972800000000, 0.0017766400000000, -0.0009193900000000 ] - [ 0.0018656100000000, -0.0012866400000000, -0.0000777100000000 ] - [ 0.0009991800000000, -0.0005278700000000, -0.0003280400000000 ] - [ -0.0005289300000000, -0.0000697100000000, 0.0004174000000000 ] - [ -0.0050382900000000, -0.0005187900000000, -0.0038571100000000 ] - [ 0.0015304500000000, -0.0003541600000000, 0.0000860300000000 ] - [ 0.0009282600000000, 0.0010836800000000, -0.0000179100000000 ] - [ 0.0001744200000000, -0.0006384000000000, -0.0000701500000000 ] - [ 0.0008723000000000, 0.0002155700000000, -0.0000495300000000 ] - [ -0.0006821900000000, -0.0007425600000000, 0.0006892400000000 ] - [ -0.0009548900000000, -0.0001585600000000, 0.0006754700000000 ] - [ 0.0007576700000000, 0.0004326700000000, -0.0001253200000000 ] - [ -0.0024647300000000, -0.0038734100000000, 0.0002594900000000 ] - [ 0.0009708700000000, -0.0001745500000000, -0.0001770900000000 ] - [ -0.0002965300000000, 0.0005835600000000, -0.0004434200000000 ] - [ 0.0000555300000000, -0.0002052700000000, 0.0001710600000000 ] - [ 0.0002346000000000, -0.0003818600000000, -0.0004723700000000 ] - [ -0.0001610100000000, 0.0008279400000000, 0.0006668200000000 ] - [ 0.0000765300000000, -0.0009214000000000, 0.0002283100000000 ] - [ 0.0000688900000000, 0.0003301200000000, 0.0001863200000000 ] - [ 0.0002434400000000, -0.0000027100000000, -0.0003501300000000 ] - [ -0.0005249100000000, 0.0000363200000000, 0.0001474400000000 ] - [ -0.0005374600000000, 0.0003569000000000, 0.0005261500000000 ] - [ 0.0002276700000000, -0.0000668400000000, -0.0001629400000000 ] - [ -0.0009337700000000, -0.0010753300000000, -0.0001147600000000 ] - [ 0.0007216500000000, 0.0001984900000000, -0.0000181000000000 ] - [ 0.0000913300000000, -0.0001937800000000, -0.0009018500000000 ] - [ 0.0001397500000000, 0.0002350600000000, 0.0002957500000000 ] - [ 0.0002869600000000, 0.0004607700000000, -0.0006071000000000 ] - [ 0.0001164300000000, -0.0002206000000000, 0.0006915700000000 ] - [ 0.0013794100000000, -0.0002525000000000, -0.0011641600000000 ] - [ 0.0047109800000000, 0.0030483000000000, 0.0132720900000000 ] - [ 0.0004510200000000, -0.0015241500000000, -0.0016542600000000 ] - [ -0.0000116000000000, 0.0002352300000000, -0.0002759000000000 ] - [ 0.0117503600000000, -0.0049548500000000, 0.0174511400000000 ] - [ 0.0012794100000000, -0.0002898700000000, -0.0009734000000000 ] - [ 0.0090515200000000, -0.0045728400000000, -0.0189059000000000 ] - [ 0.0010801900000000, 0.0000071900000000, 0.0006852900000000 ] - [ 0.0005632000000000, 0.0001733900000000, -0.0010441900000000 ] - [ -0.0006074700000000, -0.0007958100000000, 0.0019865400000000 ] - [ 0.0090823900000000, 0.0070732000000000, -0.0235797200000000 ] - [ 0.0010891600000000, 0.0000763500000000, 0.0007666800000000 ] - [ -0.0022249400000000, -0.0019413400000000, -0.0007144300000000 ] - [ 0.0010457100000000, 0.0005316700000000, -0.0000363000000000 ] - [ 0.0004733200000000, 0.0000151200000000, -0.0004944700000000 ] - [ -0.0008603100000000, -0.0006099600000000, 0.0005784800000000 ] - [ -0.0003327700000000, 0.0025864700000000, -0.0018626100000000 ] - [ 0.0009517000000000, -0.0006969600000000, 0.0006866000000000 ] - [ 0.0026451900000000, -0.0012495900000000, -0.0008769600000000 ] - [ -0.0021139300000000, 0.0024426600000000, 0.0016834000000000 ] - [ -0.0000135300000000, 0.0003580700000000, 0.0000328300000000 ] - [ 0.0002702000000000, -0.0008568700000000, -0.0003531500000000 ] - [ -0.0000774400000000, -0.0015922600000000, 0.0010986100000000 ] - [ 0.0010458400000000, -0.0000749800000000, -0.0001921500000000 ] - [ -0.0097411300000000, -0.0069353300000000, 0.0016868700000000 ] - [ 0.0028395600000000, 0.0010478100000000, -0.0003554700000000 ] - [ 0.0011752600000000, 0.0002707100000000, -0.0008441100000000 ] - [ 0.0005802700000000, 0.0008101200000000, 0.0003695800000000 ] - [ 0.0014450000000000, 0.0011255300000000, -0.0006220100000000 ] - [ 0.0004143300000000, 0.0001018000000000, 0.0004966200000000 ] - [ 0.0136031100000000, -0.0099255800000000, -0.0055906000000000 ] - [ 0.0056651400000000, 0.0009190400000000, 0.0005924600000000 ] - [ 0.0010154700000000, -0.0001786000000000, -0.0005275400000000 ] - [ -0.0023602400000000, 0.0010607200000000, 0.0003099900000000 ] - [ -0.0031317700000000, 0.0016221400000000, 0.0005239200000000 ] - [ 0.0007210700000000, 0.0000098800000000, -0.0001638900000000 ] - [ -0.0023561500000000, 0.0001631600000000, 0.0001147900000000 ] - [ 0.0113969400000000, 0.0010542900000000, -0.0034244000000000 ] - [ 0.0005389600000000, 0.0008715700000000, -0.0008925400000000 ] - [ -0.0004452800000000, -0.0006125000000000, 0.0010194800000000 ] - [ -0.0036857600000000, -0.0029126300000000, -0.0018208400000000 ] - [ -0.0034629600000000, 0.0031722400000000, 0.0026346700000000 ] - [ 0.0017045700000000, -0.0014057400000000, 0.0004701600000000 ] - [ -0.0012932900000000, 0.0004810600000000, 0.0002038500000000 ] - [ -0.0006367400000000, -0.0001711400000000, 0.0009483600000000 ] - [ 0.0005005100000000, 0.0005739200000000, -0.0011180900000000 ] - [ 0.0005033200000000, 0.0000770300000000, 0.0003912800000000 ] - [ -0.0005573200000000, 0.0001966400000000, -0.0002527700000000 ] - [ -0.0000751800000000, 0.0029257100000000, 0.0030925700000000 ] - [ -0.0004943400000000, -0.0010324100000000, -0.0008007200000000 ] - [ -0.0005491600000000, -0.0003592400000000, 0.0009771900000000 ] - [ 0.0004688300000000, -0.0003063800000000, -0.0008101900000000 ] - [ 0.0026420500000000, 0.0007991200000000, -0.0017657000000000 ] - [ -0.0015169700000000, -0.0002624700000000, 0.0002155200000000 ] - [ -0.0055335000000000, -0.0008441800000000, -0.0007683600000000 ] - [ 0.0045557300000000, -0.0065306200000000, -0.0012966800000000 ] - [ -0.0012139700000000, -0.0007730900000000, 0.0000689900000000 ] - [ 0.0018862300000000, 0.0022157500000000, 0.0038175900000000 ] - [ 0.0020000900000000, 0.0017211400000000, -0.0046313800000000 ] - [ -0.0016760700000000, -0.0000612500000000, 0.0009921700000000 ] - [ -0.0056568700000000, -0.0036138200000000, 0.0035208200000000 ] - [ -0.0036844200000000, 0.0038975500000000, -0.0038391000000000 ] - [ -0.0016176100000000, 0.0014766900000000, 0.0017808200000000 ] - [ 0.0012735800000000, 0.0005395500000000, -0.0016137400000000 ] - [ 0.0318031400000000, 0.0060621300000000, 0.0153109900000000 ] - [ -0.0027440500000000, 0.0007864200000000, 0.0006317700000000 ] - [ -0.0019744500000000, -0.0007691800000000, 0.0001932500000000 ] - [ -0.0001066500000000, 0.0018334800000000, 0.0001854500000000 ] - [ -0.0008253200000000, -0.0002302300000000, 0.0000163600000000 ] - [ 0.0013130700000000, -0.0007012100000000, 0.0003831600000000 ] - [ 0.0011511100000000, -0.0012930400000000, -0.0018839200000000 ] - [ -0.0012497000000000, -0.0005629800000000, 0.0007567500000000 ] - [ -0.0026114300000000, 0.0009293800000000, 0.0005614500000000 ] - [ 0.0042135300000000, 0.0012581400000000, 0.0000011200000000 ] - [ 0.0009254100000000, -0.0000139200000000, -0.0006111800000000 ] - [ -0.0008150500000000, 0.0008587000000000, 0.0008237200000000 ] - [ -0.0008045600000000, 0.0027346900000000, -0.0017830600000000 ] - [ -0.0014953200000000, -0.0010797100000000, 0.0008860500000000 ] - [ -0.0003907300000000, 0.0136436700000000, 0.0089388600000000 ] - [ -0.0059823400000000, -0.0012246100000000, 0.0014297800000000 ] - [ -0.0027844600000000, -0.0004747700000000, 0.0021322800000000 ] - [ 0.0025143400000000, -0.0023312100000000, -0.0056638500000000 ] - [ 0.0021222700000000, -0.0027257300000000, 0.0070529700000000 ] - [ -0.0012642600000000, -0.0004164700000000, -0.0005394800000000 ]- atom: 1 displacement: [ -0.0099999955564931, 0.0000000000000000, 0.0000094270948691 ] forces: - [ 0.0781822700000000, 0.0014718300000000, 0.0107138700000000 ] - [ -0.0015923300000000, 0.0001803900000000, 0.0001939500000000 ] - [ -0.0013193600000000, 0.0000197600000000, 0.0023912900000000 ] - [ -0.0005613600000000, -0.0001118400000000, -0.0013319900000000 ] - [ -0.0013426000000000, 0.0009484600000000, 0.0021785700000000 ] - [ -0.0005828200000000, -0.0002282200000000, -0.0018273100000000 ] - [ -0.0023884700000000, -0.0015524800000000, 0.0008918500000000 ] - [ -0.0056185300000000, 0.0005490300000000, -0.0018833800000000 ] - [ -0.0008212800000000, -0.0002022200000000, 0.0006092000000000 ] - [ 0.0015745100000000, 0.0002428100000000, -0.0006372500000000 ] - [ 0.0006434900000000, 0.0000273700000000, -0.0005013000000000 ] - [ -0.0005102400000000, 0.0000773100000000, 0.0002150100000000 ] - [ 0.0007927900000000, -0.0001837900000000, 0.0002352600000000 ] - [ -0.0004174500000000, 0.0001663000000000, -0.0001344500000000 ] - [ -0.0002337000000000, 0.0000066800000000, 0.0004013900000000 ] - [ 0.0003626400000000, -0.0002030900000000, -0.0006770100000000 ] - [ 0.0005607500000000, -0.0000981600000000, 0.0002712900000000 ] - [ -0.0003601400000000, 0.0000488300000000, -0.0002467400000000 ] - [ -0.0006312300000000, -0.0000956300000000, 0.0003274700000000 ] - [ 0.0002350000000000, 0.0002923300000000, -0.0005007100000000 ] - [ -0.0000844400000000, -0.0000356900000000, 0.0002039500000000 ] - [ -0.0000875000000000, -0.0001355200000000, 0.0000797500000000 ] - [ 0.0002610200000000, -0.0002233600000000, -0.0003772300000000 ] - [ -0.0006213900000000, -0.0002915400000000, 0.0003869600000000 ] - [ -0.0022477100000000, -0.0014168000000000, 0.0006302200000000 ] - [ 0.0005113400000000, 0.0010772600000000, -0.0012037500000000 ] - [ -0.0001527200000000, 0.0001105300000000, -0.0000885700000000 ] - [ -0.0000460300000000, -0.0001505200000000, -0.0002090300000000 ] - [ 0.0016468000000000, -0.0043284500000000, -0.0066892900000000 ] - [ -0.0015089200000000, -0.0002648900000000, 0.0001278800000000 ] - [ 0.0002594800000000, -0.0021414700000000, 0.0010542300000000 ] - [ -0.0015460100000000, 0.0009490300000000, 0.0002008500000000 ] - [ -0.0007079400000000, 0.0001875700000000, 0.0004880000000000 ] - [ 0.0008720000000000, -0.0003134700000000, -0.0002832200000000 ] - [ 0.0053296500000000, 0.0001688900000000, 0.0039720900000000 ] - [ -0.0011771900000000, -0.0000064600000000, 0.0000494100000000 ] - [ -0.0005999800000000, -0.0007142400000000, 0.0001607300000000 ] - [ 0.0001149500000000, 0.0009839100000000, 0.0002062900000000 ] - [ -0.0005360900000000, 0.0001279500000000, 0.0001915200000000 ] - [ 0.0010439700000000, 0.0011229600000000, -0.0005827600000000 ] - [ 0.0013201000000000, 0.0005246000000000, -0.0005467900000000 ] - [ -0.0004178100000000, -0.0000904100000000, 0.0002628900000000 ] - [ 0.0020639300000000, 0.0043465900000000, -0.0004178700000000 ] - [ -0.0013155100000000, 0.0005086500000000, 0.0000287400000000 ] - [ 0.0000183000000000, -0.0002398100000000, 0.0002881600000000 ] - [ -0.0004092200000000, 0.0006046500000000, -0.0002961900000000 ] - [ -0.0005891500000000, 0.0007291200000000, 0.0003345100000000 ] - [ -0.0001600000000000, -0.0004949900000000, -0.0008043600000000 ] - [ -0.0003147900000000, 0.0011411000000000, -0.0000478500000000 ] - [ -0.0003253800000000, -0.0001148400000000, 0.0000065800000000 ] - [ -0.0004389400000000, 0.0001676600000000, 0.0004556600000000 ] - [ 0.0003241200000000, 0.0001507500000000, -0.0000477600000000 ] - [ 0.0003215400000000, -0.0001413200000000, -0.0003320500000000 ] - [ -0.0004541300000000, 0.0002680200000000, 0.0003365600000000 ] - [ 0.0011444900000000, 0.0012911000000000, -0.0000494200000000 ] - [ -0.0005191000000000, -0.0000076800000000, -0.0000991000000000 ] - [ 0.0001600300000000, 0.0003912500000000, 0.0007277300000000 ] - [ 0.0000920300000000, -0.0000715100000000, -0.0004183100000000 ] - [ -0.0000709600000000, -0.0002790700000000, 0.0004704400000000 ] - [ 0.0001187200000000, 0.0004081300000000, -0.0008147000000000 ] - [ -0.0011605100000000, 0.0000524600000000, 0.0010032500000000 ] - [ -0.0044896800000000, -0.0032028100000000, -0.0133377600000000 ] - [ -0.0002667700000000, 0.0013350300000000, 0.0015507100000000 ] - [ 0.0002061100000000, -0.0004225500000000, 0.0001628600000000 ] - [ -0.0116129400000000, 0.0048645000000000, -0.0178543900000000 ] - [ -0.0010446700000000, 0.0000864700000000, 0.0007873300000000 ] - [ -0.0093070200000000, 0.0044306800000000, 0.0193324700000000 ] - [ -0.0012988000000000, -0.0001863100000000, -0.0005280100000000 ] - [ -0.0007992700000000, -0.0003760100000000, 0.0012399200000000 ] - [ 0.0003770300000000, 0.0005962700000000, -0.0018168800000000 ] - [ -0.0092632000000000, -0.0072183800000000, 0.0235420900000000 ] - [ -0.0012930300000000, -0.0002646200000000, -0.0006622800000000 ] - [ 0.0018858600000000, 0.0016077600000000, 0.0005823000000000 ] - [ -0.0014245000000000, -0.0009036700000000, -0.0000843700000000 ] - [ -0.0008201500000000, -0.0003602500000000, 0.0003491300000000 ] - [ 0.0005192300000000, 0.0002715300000000, -0.0007168100000000 ] - [ 0.0000305900000000, -0.0029246800000000, 0.0016896400000000 ] - [ -0.0012661600000000, 0.0003408700000000, -0.0008427700000000 ] - [ -0.0023269900000000, 0.0009219800000000, 0.0010220000000000 ] - [ 0.0024593100000000, -0.0027727700000000, -0.0015345700000000 ] - [ 0.0003450300000000, -0.0007398900000000, 0.0001015300000000 ] - [ 0.0000335500000000, 0.0005013100000000, 0.0005013600000000 ] - [ 0.0004493500000000, 0.0012415300000000, -0.0009672900000000 ] - [ -0.0007028500000000, -0.0002698100000000, 0.0003368000000000 ] - [ 0.0101399400000000, 0.0071976900000000, -0.0015397600000000 ] - [ -0.0025576800000000, -0.0007059700000000, 0.0005028700000000 ] - [ -0.0008562000000000, 0.0000525100000000, 0.0009944700000000 ] - [ -0.0002117900000000, -0.0004439500000000, -0.0002420300000000 ] - [ -0.0011123600000000, -0.0007946600000000, 0.0007545600000000 ] - [ -0.0000595100000000, 0.0002556300000000, -0.0003679300000000 ] - [ -0.0142029600000000, 0.0104083100000000, 0.0055224800000000 ] - [ -0.0059839200000000, -0.0005620000000000, -0.0007250900000000 ] - [ -0.0013248100000000, 0.0005328200000000, 0.0003820100000000 ] - [ 0.0020476000000000, -0.0007050200000000, -0.0004608500000000 ] - [ 0.0027708500000000, -0.0012726600000000, -0.0006441300000000 ] - [ -0.0010749700000000, 0.0003430900000000, 0.0000325900000000 ] - [ 0.0023624200000000, -0.0002689800000000, -0.0001235100000000 ] - [ -0.0114064900000000, -0.0011252600000000, 0.0033849500000000 ] - [ -0.0005407000000000, -0.0009907500000000, 0.0008533100000000 ] - [ 0.0004423400000000, 0.0005114900000000, -0.0010086900000000 ] - [ 0.0036731400000000, 0.0028448600000000, 0.0018361200000000 ] - [ 0.0034841700000000, -0.0032580700000000, -0.0026153200000000 ] - [ -0.0017367600000000, 0.0014916300000000, -0.0004477200000000 ] - [ 0.0012980700000000, -0.0003690300000000, -0.0001945300000000 ] - [ 0.0006436700000000, 0.0002775000000000, -0.0009581900000000 ] - [ -0.0005000000000000, -0.0004745600000000, 0.0011130200000000 ] - [ -0.0004937000000000, 0.0000129400000000, -0.0004033700000000 ] - [ 0.0005530300000000, -0.0000840000000000, 0.0002560600000000 ] - [ 0.0000665800000000, -0.0030712600000000, -0.0031182100000000 ] - [ 0.0004858400000000, 0.0009060800000000, 0.0008001800000000 ] - [ 0.0005534100000000, 0.0002487800000000, -0.0009844800000000 ] - [ -0.0004820800000000, 0.0002004800000000, 0.0008080100000000 ] - [ -0.0026342900000000, -0.0009171100000000, 0.0017695600000000 ] - [ 0.0015210600000000, 0.0001466900000000, -0.0002036000000000 ] - [ 0.0055603300000000, 0.0009620500000000, 0.0007667800000000 ] - [ -0.0041168300000000, 0.0071585600000000, 0.0013431300000000 ] - [ 0.0012250000000000, 0.0008775200000000, -0.0000865700000000 ] - [ -0.0018905500000000, -0.0021087200000000, -0.0038329700000000 ] - [ -0.0020388000000000, -0.0016033500000000, 0.0046695400000000 ] - [ 0.0016800600000000, 0.0001739700000000, -0.0009893300000000 ] - [ 0.0056620100000000, 0.0048980300000000, -0.0035600300000000 ] - [ 0.0037036100000000, -0.0026076600000000, 0.0038100500000000 ] - [ 0.0016270900000000, -0.0001977400000000, -0.0017751500000000 ] - [ -0.0013018000000000, 0.0007457000000000, 0.0016041600000000 ] - [ -0.0316210800000000, -0.0044523500000000, -0.0150155200000000 ] - [ 0.0027444700000000, 0.0005075500000000, -0.0006447900000000 ] - [ 0.0019551300000000, -0.0005125800000000, -0.0001933100000000 ] - [ 0.0001585200000000, -0.0031836700000000, -0.0001793600000000 ] - [ 0.0008509200000000, -0.0010385400000000, -0.0000274300000000 ] - [ -0.0013187200000000, -0.0005706500000000, -0.0004137200000000 ] - [ -0.0011791800000000, -0.0000029700000000, 0.0018732900000000 ] - [ 0.0012579400000000, -0.0006900300000000, -0.0007887200000000 ] - [ 0.0026363900000000, 0.0003420200000000, -0.0005723200000000 ] - [ -0.0042032300000000, -0.0000090300000000, 0.0000271500000000 ] - [ -0.0009442300000000, 0.0012927300000000, 0.0005691200000000 ] - [ 0.0008051700000000, 0.0003936800000000, -0.0008228900000000 ] - [ 0.0008088700000000, -0.0014768600000000, 0.0017647900000000 ] - [ 0.0015047700000000, 0.0023244300000000, -0.0008978600000000 ] - [ -0.0003775100000000, -0.0142762200000000, -0.0090316300000000 ] - [ 0.0059633400000000, -0.0000387400000000, -0.0014116500000000 ] - [ 0.0028208100000000, -0.0007757700000000, -0.0021583700000000 ] - [ -0.0025141600000000, 0.0010727600000000, 0.0056368600000000 ] - [ -0.0020548300000000, 0.0015084800000000, -0.0070913100000000 ] - [ 0.0012596000000000, -0.0008618100000000, 0.0005551100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022420500000000, -0.1181090300000000, -0.0362543800000000 ] - [ -0.0001898300000000, -0.0005913400000000, -0.0002370500000000 ] - [ -0.0009447700000000, -0.0006375600000000, 0.0011115400000000 ] - [ 0.0002489500000000, -0.0005536800000000, 0.0007812900000000 ] - [ -0.0000138300000000, -0.0006479800000000, -0.0004341500000000 ] - [ 0.0000981000000000, -0.0005431200000000, -0.0004987200000000 ] - [ -0.0015547800000000, -0.0027355500000000, 0.0001917400000000 ] - [ 0.0005128400000000, -0.0027348800000000, 0.0001733600000000 ] - [ -0.0001989100000000, -0.0001573900000000, 0.0004978600000000 ] - [ 0.0002660300000000, -0.0020867600000000, -0.0013913200000000 ] - [ 0.0001356500000000, -0.0138652000000000, 0.0137380000000000 ] - [ 0.0000836900000000, -0.0000260100000000, -0.0001650400000000 ] - [ 0.0001980400000000, 0.0013326800000000, -0.0003507300000000 ] - [ -0.0001693000000000, 0.0003755900000000, 0.0000348300000000 ] - [ -0.0000130000000000, 0.0001108100000000, 0.0001975300000000 ] - [ 0.0002084500000000, 0.0005307300000000, 0.0003476000000000 ] - [ 0.0001261000000000, 0.0023395800000000, 0.0012749100000000 ] - [ -0.0000330900000000, 0.0003622700000000, -0.0001376700000000 ] - [ -0.0002779400000000, 0.0003778600000000, -0.0000595900000000 ] - [ -0.0002288300000000, 0.0020448300000000, -0.0019220900000000 ] - [ -0.0001462200000000, 0.0002583400000000, 0.0006337700000000 ] - [ -0.0000421800000000, 0.0002526800000000, -0.0001176700000000 ] - [ 0.0002827400000000, 0.0020318200000000, -0.0001863700000000 ] - [ -0.0000817900000000, 0.0003681500000000, 0.0000178200000000 ] - [ -0.0006932700000000, -0.0008712800000000, 0.0002216500000000 ] - [ -0.0029177100000000, -0.0010410500000000, -0.0006662500000000 ] - [ -0.0012963900000000, -0.0006317000000000, 0.0007815600000000 ] - [ 0.0001722500000000, -0.0003169800000000, -0.0001378000000000 ] - [ 0.0089423400000000, 0.0067143800000000, 0.0054328800000000 ] - [ -0.0009466900000000, -0.0005304000000000, 0.0000287000000000 ] - [ 0.0046604800000000, -0.0014869800000000, -0.0017862700000000 ] - [ -0.0000694000000000, -0.0006413400000000, -0.0001287000000000 ] - [ -0.0001451800000000, -0.0001634000000000, 0.0002522400000000 ] - [ 0.0007231100000000, -0.0005429900000000, 0.0000746100000000 ] - [ -0.0055873100000000, 0.0044375800000000, 0.0040127900000000 ] - [ 0.0006363000000000, -0.0004087700000000, -0.0001000100000000 ] - [ 0.0019736000000000, 0.0007125100000000, -0.0004358900000000 ] - [ -0.0023955900000000, -0.0001023900000000, -0.0003123200000000 ] - [ -0.0000990300000000, 0.0001371100000000, 0.0002742200000000 ] - [ 0.0014836800000000, 0.0033337000000000, -0.0019927900000000 ] - [ 0.0010281600000000, 0.0019328300000000, 0.0013974800000000 ] - [ 0.0001262600000000, 0.0001083700000000, 0.0000853900000000 ] - [ -0.0052469300000000, 0.0208969000000000, -0.0031934900000000 ] - [ -0.0004170600000000, 0.0001757800000000, -0.0001234900000000 ] - [ 0.0002864700000000, 0.0001309600000000, -0.0002444200000000 ] - [ -0.0007524400000000, 0.0007726400000000, 0.0003149000000000 ] - [ -0.0015685500000000, 0.0007292100000000, 0.0004703100000000 ] - [ 0.0010943500000000, 0.0008151800000000, 0.0007719700000000 ] - [ 0.0001215100000000, 0.0018344400000000, 0.0000032000000000 ] - [ -0.0011287100000000, 0.0018353900000000, 0.0006119700000000 ] - [ -0.0002449600000000, 0.0004179400000000, 0.0005167200000000 ] - [ 0.0001681900000000, 0.0011150400000000, 0.0008038200000000 ] - [ -0.0001551300000000, 0.0011234500000000, -0.0005014600000000 ] - [ -0.0001882300000000, 0.0004305200000000, 0.0001399200000000 ] - [ 0.0012653800000000, 0.0050298200000000, -0.0004249800000000 ] - [ -0.0000180500000000, 0.0005820200000000, -0.0003387700000000 ] - [ 0.0004022400000000, 0.0007389600000000, 0.0004753200000000 ] - [ -0.0000438300000000, 0.0004492800000000, 0.0000381400000000 ] - [ -0.0002748700000000, 0.0006468300000000, -0.0003910800000000 ] - [ 0.0004110500000000, 0.0009760400000000, -0.0007736600000000 ] - [ -0.0000538100000000, -0.0005622200000000, 0.0003832400000000 ] - [ 0.0032205600000000, -0.0024431800000000, 0.0057056500000000 ] - [ -0.0013412500000000, -0.0007775800000000, 0.0006430900000000 ] - [ 0.0004145200000000, -0.0005380500000000, 0.0000082400000000 ] - [ -0.0047801000000000, -0.0057213300000000, -0.0093420600000000 ] - [ -0.0000897100000000, -0.0006930100000000, -0.0008431900000000 ] - [ -0.0072201100000000, -0.0043720400000000, 0.0105065500000000 ] - [ -0.0002646600000000, -0.0006485800000000, 0.0007459000000000 ] - [ -0.0003689900000000, -0.0004158900000000, 0.0005896400000000 ] - [ 0.0005917500000000, -0.0009459900000000, 0.0015247900000000 ] - [ 0.0044013100000000, -0.0043629400000000, -0.0091753500000000 ] - [ -0.0001807600000000, -0.0006525200000000, -0.0004889700000000 ] - [ 0.0003963800000000, 0.0014101500000000, 0.0014893600000000 ] - [ -0.0001773800000000, -0.0000365900000000, 0.0003165300000000 ] - [ -0.0003365700000000, -0.0000602100000000, 0.0000510000000000 ] - [ -0.0000062400000000, 0.0000733000000000, -0.0000851200000000 ] - [ 0.0019952300000000, 0.0028603500000000, -0.0027644800000000 ] - [ -0.0005955700000000, 0.0005076300000000, -0.0009373100000000 ] - [ -0.0015217200000000, 0.0006824300000000, 0.0008882600000000 ] - [ 0.0002473400000000, 0.0026696100000000, 0.0024273500000000 ] - [ 0.0000998500000000, -0.0000370400000000, 0.0001691900000000 ] - [ 0.0000590500000000, 0.0002836300000000, 0.0004724400000000 ] - [ -0.0010909200000000, 0.0010646700000000, -0.0017149100000000 ] - [ 0.0001420100000000, 0.0001247300000000, -0.0001978800000000 ] - [ -0.0055816500000000, 0.0309108200000000, -0.0047068900000000 ] - [ 0.0000992600000000, 0.0003480400000000, -0.0001669700000000 ] - [ -0.0005081700000000, -0.0000674700000000, 0.0008319200000000 ] - [ 0.0004172500000000, 0.0001399500000000, 0.0004414800000000 ] - [ -0.0005132000000000, -0.0004526400000000, 0.0000986500000000 ] - [ 0.0004469700000000, 0.0000125500000000, -0.0001205400000000 ] - [ -0.0124892300000000, 0.0098822800000000, 0.0052892600000000 ] - [ 0.0063714600000000, 0.0007038600000000, 0.0006624400000000 ] - [ -0.0005830200000000, 0.0002893500000000, 0.0002220800000000 ] - [ -0.0000269000000000, 0.0000587100000000, 0.0004354000000000 ] - [ -0.0001967700000000, -0.0014661200000000, -0.0015235800000000 ] - [ -0.0002349100000000, 0.0000709100000000, -0.0002001400000000 ] - [ 0.0003909900000000, 0.0003897100000000, -0.0002683200000000 ] - [ -0.0012176800000000, 0.0138280000000000, -0.0070305200000000 ] - [ -0.0000455800000000, -0.0011034300000000, -0.0036662100000000 ] - [ -0.0001621800000000, 0.0005950800000000, -0.0002615600000000 ] - [ -0.0033899300000000, 0.0036818600000000, 0.0003614000000000 ] - [ 0.0039085900000000, 0.0029323700000000, -0.0005230100000000 ] - [ -0.0038723900000000, -0.0048892400000000, 0.0018958300000000 ] - [ 0.0013138400000000, -0.0004041100000000, 0.0001797000000000 ] - [ -0.0000416600000000, -0.0001615600000000, -0.0003797800000000 ] - [ 0.0003633400000000, -0.0005803400000000, 0.0006860100000000 ] - [ 0.0010232900000000, -0.0026875600000000, -0.0024348300000000 ] - [ -0.0005136100000000, -0.0003961400000000, 0.0002121100000000 ] - [ 0.0004243300000000, -0.0033326300000000, -0.0028033200000000 ] - [ -0.0002856300000000, -0.0018946200000000, -0.0006499500000000 ] - [ 0.0002086100000000, -0.0002663600000000, -0.0003130700000000 ] - [ -0.0002669400000000, -0.0005445300000000, -0.0001916100000000 ] - [ -0.0011324800000000, -0.0056412200000000, 0.0052799100000000 ] - [ 0.0003364000000000, -0.0005736800000000, 0.0003899300000000 ] - [ 0.0033657900000000, 0.0016493300000000, 0.0007837700000000 ] - [ -0.0117820500000000, 0.0072290600000000, -0.0017273600000000 ] - [ 0.0000221600000000, 0.0004658200000000, -0.0008246000000000 ] - [ -0.0005246000000000, -0.0003327800000000, -0.0030268000000000 ] - [ -0.0024053700000000, 0.0018104300000000, 0.0025041100000000 ] - [ 0.0002081400000000, 0.0000952000000000, 0.0002447700000000 ] - [ 0.0000554500000000, 0.0065605500000000, -0.0004837400000000 ] - [ 0.0012902200000000, 0.0041686700000000, -0.0002213000000000 ] - [ 0.0016215100000000, 0.0013364400000000, -0.0007233200000000 ] - [ -0.0009299600000000, 0.0013587600000000, 0.0007123100000000 ] - [ 0.0053439500000000, 0.0545965800000000, 0.0373756400000000 ] - [ 0.0001604500000000, 0.0017249600000000, 0.0005064500000000 ] - [ -0.0004534700000000, -0.0018766000000000, 0.0003385300000000 ] - [ 0.0077549400000000, -0.0099910600000000, -0.0002285900000000 ] - [ 0.0007850800000000, -0.0012257600000000, -0.0006720600000000 ] - [ -0.0016325300000000, -0.0025375300000000, 0.0005497800000000 ] - [ -0.0015361200000000, -0.0044386800000000, -0.0013902800000000 ] - [ 0.0008847600000000, -0.0014541300000000, -0.0002097000000000 ] - [ 0.0009724100000000, -0.0006782600000000, -0.0004031100000000 ] - [ -0.0009940900000000, -0.0056335700000000, -0.0021445700000000 ] - [ 0.0000262300000000, -0.0001019900000000, -0.0001626800000000 ] - [ 0.0001480700000000, 0.0000342300000000, -0.0003981000000000 ] - [ 0.0004823300000000, -0.0026988000000000, 0.0018100400000000 ] - [ -0.0008625000000000, -0.0026750500000000, 0.0003469100000000 ] - [ 0.0207253200000000, 0.0051501200000000, -0.0070392900000000 ] - [ -0.0018345600000000, 0.0017857100000000, 0.0006147900000000 ] - [ 0.0012990100000000, -0.0001919600000000, -0.0010961700000000 ] - [ 0.0002178700000000, -0.0000935000000000, -0.0034111600000000 ] - [ 0.0046302100000000, 0.0023710700000000, 0.0032935100000000 ] - [ -0.0001513600000000, -0.0002348200000000, 0.0005625700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023663600000000, 0.1171840600000000, 0.0371654200000000 ] - [ -0.0000341500000000, 0.0007881400000000, 0.0004315100000000 ] - [ 0.0007668900000000, 0.0008626800000000, -0.0008904300000000 ] - [ -0.0004388200000000, 0.0007488400000000, -0.0006040200000000 ] - [ -0.0001997200000000, 0.0008462200000000, 0.0006370100000000 ] - [ -0.0003129900000000, 0.0007557600000000, 0.0007233200000000 ] - [ 0.0017445000000000, 0.0029356900000000, -0.0003823600000000 ] - [ -0.0003487200000000, 0.0029435300000000, -0.0003975400000000 ] - [ 0.0004257800000000, 0.0003776800000000, -0.0007267600000000 ] - [ -0.0000439400000000, 0.0022782700000000, 0.0012042500000000 ] - [ 0.0000745100000000, 0.0141193700000000, -0.0140285500000000 ] - [ 0.0001276300000000, 0.0002233600000000, -0.0000308500000000 ] - [ 0.0000068500000000, -0.0015101800000000, 0.0001663200000000 ] - [ 0.0003777200000000, -0.0005891200000000, -0.0002715800000000 ] - [ 0.0002010500000000, -0.0003072800000000, -0.0003649800000000 ] - [ -0.0000188300000000, -0.0007250700000000, -0.0005342000000000 ] - [ 0.0001027200000000, -0.0025328100000000, -0.0014803400000000 ] - [ 0.0002559300000000, -0.0005581300000000, -0.0000757500000000 ] - [ 0.0000682900000000, -0.0005872900000000, 0.0002578100000000 ] - [ 0.0000250600000000, -0.0022367200000000, 0.0021171200000000 ] - [ -0.0000878700000000, -0.0004589600000000, -0.0004073700000000 ] - [ -0.0001853900000000, -0.0004614400000000, 0.0003499400000000 ] - [ -0.0004662600000000, -0.0022254000000000, 0.0003514200000000 ] - [ -0.0001052300000000, -0.0005888100000000, 0.0002098700000000 ] - [ 0.0003281300000000, 0.0005375300000000, -0.0003441700000000 ] - [ 0.0024319000000000, 0.0006373700000000, 0.0005873900000000 ] - [ 0.0008344400000000, 0.0002399300000000, -0.0008732600000000 ] - [ -0.0006132400000000, -0.0000657200000000, 0.0000295400000000 ] - [ -0.0093445100000000, -0.0071254700000000, -0.0056313000000000 ] - [ 0.0005553800000000, 0.0001507100000000, -0.0001469300000000 ] - [ -0.0042228000000000, 0.0011188600000000, 0.0018795500000000 ] - [ 0.0004673000000000, 0.0002750700000000, 0.0002251500000000 ] - [ 0.0005332100000000, -0.0002075800000000, -0.0001320400000000 ] - [ -0.0002926300000000, 0.0001310700000000, 0.0000151900000000 ] - [ 0.0059762900000000, -0.0048150400000000, -0.0039621800000000 ] - [ -0.0001754800000000, 0.0000087900000000, 0.0001959800000000 ] - [ -0.0015622400000000, -0.0003056800000000, 0.0005405300000000 ] - [ 0.0028145300000000, 0.0005190600000000, 0.0004090300000000 ] - [ 0.0005128000000000, 0.0002424300000000, -0.0001663000000000 ] - [ -0.0010361800000000, -0.0029242500000000, 0.0020708300000000 ] - [ -0.0005789600000000, -0.0015407700000000, -0.0013103700000000 ] - [ 0.0003128800000000, 0.0002785600000000, 0.0000108800000000 ] - [ 0.0048236100000000, -0.0207885000000000, 0.0031864200000000 ] - [ -0.0000113900000000, 0.0001994600000000, 0.0000040300000000 ] - [ -0.0006519800000000, 0.0002571400000000, 0.0001278000000000 ] - [ 0.0003131700000000, -0.0003430600000000, -0.0004101200000000 ] - [ 0.0011216300000000, -0.0003376400000000, -0.0005626400000000 ] - [ -0.0015119400000000, -0.0004350100000000, -0.0008772900000000 ] - [ -0.0003548300000000, -0.0016163100000000, 0.0002317800000000 ] - [ 0.0009064500000000, -0.0016206800000000, -0.0003674100000000 ] - [ 0.0000591100000000, -0.0002405700000000, -0.0003702700000000 ] - [ -0.0003559000000000, -0.0009044500000000, -0.0006145900000000 ] - [ -0.0000581600000000, -0.0009115900000000, 0.0007137300000000 ] - [ -0.0000212600000000, -0.0002241800000000, 0.0000869700000000 ] - [ -0.0010724400000000, -0.0048078500000000, 0.0002227300000000 ] - [ 0.0002031100000000, -0.0003790400000000, 0.0001591300000000 ] - [ -0.0001684300000000, -0.0005325600000000, -0.0007088200000000 ] - [ 0.0002680200000000, -0.0002627900000000, -0.0002251100000000 ] - [ 0.0004850000000000, -0.0004520800000000, 0.0001986900000000 ] - [ -0.0002007600000000, -0.0007882900000000, 0.0006030600000000 ] - [ 0.0002731500000000, 0.0003484700000000, -0.0006236600000000 ] - [ -0.0030223900000000, 0.0022032000000000, -0.0059727700000000 ] - [ 0.0015285000000000, 0.0005865200000000, -0.0008170200000000 ] - [ -0.0002348400000000, 0.0003337700000000, -0.0001983400000000 ] - [ 0.0050501200000000, 0.0054399300000000, 0.0092323700000000 ] - [ 0.0003088800000000, 0.0004733800000000, 0.0005947200000000 ] - [ 0.0070311700000000, 0.0040425200000000, -0.0103083400000000 ] - [ 0.0000516100000000, 0.0004665600000000, -0.0005607200000000 ] - [ 0.0001506600000000, 0.0002031900000000, -0.0003527400000000 ] - [ -0.0008217200000000, 0.0007399000000000, -0.0013135300000000 ] - [ -0.0046160100000000, 0.0040576400000000, 0.0094812000000000 ] - [ -0.0000012700000000, 0.0004557300000000, 0.0006579900000000 ] - [ -0.0008460500000000, -0.0018047500000000, -0.0015732900000000 ] - [ -0.0003000200000000, -0.0003750200000000, -0.0003932300000000 ] - [ -0.0000892800000000, -0.0003281100000000, -0.0001595200000000 ] - [ -0.0004210000000000, -0.0004544300000000, -0.0000102700000000 ] - [ -0.0023989800000000, -0.0032619000000000, 0.0026484900000000 ] - [ 0.0001868300000000, -0.0009117400000000, 0.0008293300000000 ] - [ 0.0019402900000000, -0.0010554200000000, -0.0007892900000000 ] - [ 0.0001976900000000, -0.0030518600000000, -0.0023268600000000 ] - [ 0.0003225100000000, -0.0003813300000000, -0.0000769200000000 ] - [ 0.0003297900000000, -0.0006767000000000, -0.0003630000000000 ] - [ 0.0015356300000000, -0.0014662200000000, 0.0018011100000000 ] - [ 0.0002962700000000, -0.0005112300000000, 0.0003026400000000 ] - [ 0.0058667200000000, -0.0298514600000000, 0.0047186600000000 ] - [ 0.0002700100000000, 0.0000234400000000, 0.0002837700000000 ] - [ 0.0009274000000000, 0.0004235900000000, -0.0007220300000000 ] - [ 0.0000429800000000, 0.0002564400000000, -0.0003535800000000 ] - [ 0.0009412300000000, 0.0008274900000000, -0.0000055700000000 ] - [ -0.0000088300000000, 0.0003653200000000, 0.0002172100000000 ] - [ 0.0119817300000000, -0.0093853300000000, -0.0053529000000000 ] - [ -0.0067457400000000, -0.0003074400000000, -0.0007490600000000 ] - [ 0.0001784300000000, 0.0001047500000000, -0.0003344400000000 ] - [ -0.0003478500000000, 0.0003123200000000, -0.0005587800000000 ] - [ -0.0002580200000000, 0.0018594400000000, 0.0014440700000000 ] - [ -0.0002179800000000, 0.0003218300000000, 0.0001099000000000 ] - [ -0.0003989100000000, -0.0004867300000000, 0.0002465700000000 ] - [ 0.0012202400000000, -0.0140800600000000, 0.0075909600000000 ] - [ 0.0000410500000000, 0.0010290100000000, 0.0036693900000000 ] - [ 0.0001677600000000, -0.0006826200000000, 0.0002801100000000 ] - [ 0.0033870300000000, -0.0037701800000000, -0.0003642500000000 ] - [ -0.0038772800000000, -0.0030286500000000, 0.0005154700000000 ] - [ 0.0038902600000000, 0.0049573200000000, -0.0018831800000000 ] - [ -0.0013143100000000, 0.0005004000000000, -0.0001653200000000 ] - [ 0.0000471200000000, 0.0002453100000000, 0.0003723400000000 ] - [ -0.0003689200000000, 0.0006449300000000, -0.0007067400000000 ] - [ -0.0010160600000000, 0.0027602700000000, 0.0024442900000000 ] - [ 0.0005237400000000, 0.0004887000000000, -0.0002093200000000 ] - [ -0.0004187800000000, 0.0032293000000000, 0.0027980300000000 ] - [ 0.0002610500000000, 0.0018030500000000, 0.0006489200000000 ] - [ -0.0002011500000000, 0.0001901400000000, 0.0003060500000000 ] - [ 0.0002619900000000, 0.0004705500000000, 0.0001885500000000 ] - [ 0.0011341000000000, 0.0055234400000000, -0.0052073600000000 ] - [ -0.0003329400000000, 0.0004827000000000, -0.0003695100000000 ] - [ -0.0033813700000000, -0.0015545900000000, -0.0008027000000000 ] - [ 0.0122168800000000, -0.0065354700000000, 0.0017462500000000 ] - [ -0.0000217500000000, -0.0003850100000000, 0.0008055400000000 ] - [ 0.0005391800000000, 0.0004388100000000, 0.0030493400000000 ] - [ 0.0024064800000000, -0.0017266000000000, -0.0025007000000000 ] - [ -0.0002006900000000, -0.0000032800000000, -0.0002454600000000 ] - [ -0.0000817800000000, -0.0052818100000000, 0.0004721500000000 ] - [ -0.0012563100000000, -0.0028609800000000, 0.0002280700000000 ] - [ -0.0016107300000000, -0.0000080900000000, 0.0007418700000000 ] - [ 0.0008964000000000, -0.0000297500000000, -0.0007507300000000 ] - [ -0.0053943600000000, -0.0532807000000000, -0.0384519700000000 ] - [ -0.0001733000000000, -0.0003842100000000, -0.0005054600000000 ] - [ 0.0004264100000000, 0.0005452600000000, -0.0003389400000000 ] - [ -0.0078099200000000, 0.0086410700000000, 0.0002518400000000 ] - [ -0.0007668800000000, -0.0001008500000000, 0.0006681100000000 ] - [ 0.0016489800000000, 0.0012198000000000, -0.0005934700000000 ] - [ 0.0015183900000000, 0.0031136300000000, 0.0014047100000000 ] - [ -0.0008781700000000, 0.0001402300000000, 0.0001802700000000 ] - [ -0.0009525900000000, 0.0020082800000000, 0.0004005200000000 ] - [ 0.0010150200000000, 0.0069327300000000, 0.0020983600000000 ] - [ -0.0000471600000000, 0.0014445100000000, 0.0001308800000000 ] - [ -0.0001571600000000, 0.0012723400000000, 0.0004066700000000 ] - [ -0.0004598900000000, 0.0040269100000000, -0.0018496000000000 ] - [ 0.0008642700000000, 0.0039899300000000, -0.0003495900000000 ] - [ -0.0212956600000000, -0.0059950300000000, 0.0069824900000000 ] - [ 0.0018244400000000, -0.0030714300000000, -0.0005802300000000 ] - [ -0.0012679400000000, -0.0011108400000000, 0.0010953300000000 ] - [ -0.0002338000000000, -0.0012110100000000, 0.0034142800000000 ] - [ -0.0046153900000000, -0.0036863600000000, -0.0033342800000000 ] - [ 0.0001456200000000, -0.0010961600000000, -0.0005489800000000 ]- atom: 1 displacement: [ -0.0065595163377495, 0.0000000000000000, 0.0075480292404573 ] forces: - [ 0.0433335200000000, -0.0254224600000000, -0.1624400700000000 ] - [ -0.0011511300000000, -0.0001146400000000, -0.0005337700000000 ] - [ -0.0024755100000000, -0.0003700800000000, 0.0037704900000000 ] - [ 0.0010651200000000, -0.0005078200000000, 0.0013572100000000 ] - [ -0.0026202300000000, 0.0014029600000000, 0.0036423300000000 ] - [ 0.0006540000000000, 0.0004016700000000, 0.0010428600000000 ] - [ -0.0022711800000000, -0.0011963100000000, -0.0024441600000000 ] - [ -0.0023591700000000, 0.0001633600000000, -0.0036328200000000 ] - [ -0.0010406900000000, -0.0005710300000000, 0.0018305600000000 ] - [ 0.0014792800000000, 0.0011524200000000, 0.0052500900000000 ] - [ 0.0008547400000000, -0.0103591200000000, 0.0146393000000000 ] - [ -0.0005315400000000, 0.0001348200000000, 0.0005376000000000 ] - [ 0.0003080000000000, -0.0003423900000000, -0.0010761800000000 ] - [ -0.0002345800000000, 0.0002123500000000, 0.0000543900000000 ] - [ -0.0004849400000000, 0.0001939800000000, 0.0009196900000000 ] - [ 0.0007126100000000, 0.0001614100000000, 0.0009668700000000 ] - [ 0.0001401000000000, 0.0009333800000000, -0.0011847100000000 ] - [ -0.0000849500000000, -0.0000265800000000, -0.0003798000000000 ] - [ -0.0006475300000000, -0.0000109300000000, -0.0001008800000000 ] - [ 0.0004721300000000, 0.0003715500000000, -0.0009226700000000 ] - [ -0.0000644000000000, 0.0001399800000000, 0.0014004900000000 ] - [ -0.0001463900000000, -0.0005083100000000, 0.0013339400000000 ] - [ 0.0005575500000000, 0.0013262200000000, -0.0008457500000000 ] - [ -0.0006169600000000, -0.0001002000000000, -0.0000787700000000 ] - [ -0.0036747100000000, -0.0023062300000000, 0.0009119800000000 ] - [ 0.0046149000000000, -0.0008192100000000, -0.0004456200000000 ] - [ -0.0011380200000000, -0.0000568500000000, 0.0011441200000000 ] - [ -0.0003664700000000, -0.0004058300000000, 0.0007017800000000 ] - [ 0.0141544000000000, 0.0076398700000000, -0.0077949700000000 ] - [ -0.0020865900000000, -0.0001418000000000, -0.0002595500000000 ] - [ -0.0042248700000000, -0.0037622600000000, -0.0000126600000000 ] - [ 0.0004738300000000, -0.0005445900000000, -0.0004227900000000 ] - [ -0.0016076800000000, 0.0005628200000000, 0.0009997300000000 ] - [ 0.0020212500000000, -0.0006270500000000, 0.0007967400000000 ] - [ -0.0102972600000000, 0.0093773300000000, 0.0039441100000000 ] - [ 0.0001233500000000, 0.0000197300000000, 0.0000515800000000 ] - [ 0.0008551000000000, 0.0001761200000000, -0.0012978200000000 ] - [ -0.0001042300000000, 0.0017478400000000, -0.0019546600000000 ] - [ -0.0005665700000000, 0.0001236000000000, 0.0006162900000000 ] - [ -0.0011742000000000, -0.0064286600000000, 0.0048614200000000 ] - [ 0.0023244700000000, 0.0022311600000000, 0.0011954800000000 ] - [ -0.0006314100000000, -0.0002261800000000, 0.0005406600000000 ] - [ 0.0021362400000000, -0.0014565800000000, -0.0049457300000000 ] - [ -0.0009286500000000, 0.0002819100000000, -0.0003633300000000 ] - [ -0.0011469800000000, 0.0000830500000000, 0.0009312400000000 ] - [ 0.0001516200000000, 0.0008120900000000, 0.0008671500000000 ] - [ -0.0025201000000000, 0.0016401500000000, 0.0009656600000000 ] - [ 0.0013199200000000, 0.0003771600000000, 0.0007204400000000 ] - [ -0.0001578300000000, 0.0011344600000000, -0.0007366700000000 ] - [ -0.0001308100000000, -0.0001414700000000, -0.0006974500000000 ] - [ -0.0004800400000000, 0.0001604000000000, 0.0008091000000000 ] - [ 0.0005449900000000, -0.0003527800000000, 0.0002924500000000 ] - [ 0.0002631500000000, 0.0004516500000000, 0.0000957000000000 ] - [ -0.0006190900000000, 0.0005233100000000, 0.0007299500000000 ] - [ 0.0007346000000000, 0.0010988800000000, -0.0013091100000000 ] - [ -0.0002958100000000, 0.0001959500000000, -0.0004032800000000 ] - [ -0.0004972900000000, -0.0001775500000000, 0.0010394900000000 ] - [ 0.0003472500000000, -0.0001069400000000, 0.0004418400000000 ] - [ -0.0004372000000000, 0.0000571900000000, 0.0001011600000000 ] - [ 0.0006628600000000, 0.0008066600000000, -0.0003575100000000 ] - [ -0.0015710200000000, 0.0003940000000000, 0.0009157400000000 ] - [ 0.0070964900000000, 0.0022558000000000, 0.0033215300000000 ] - [ -0.0013582300000000, 0.0014034400000000, 0.0042258400000000 ] - [ -0.0000137400000000, -0.0002211400000000, 0.0017655400000000 ] - [ 0.0058346400000000, -0.0038810800000000, -0.0104238800000000 ] - [ -0.0013379400000000, -0.0005174000000000, -0.0006831300000000 ] - [ -0.0240710500000000, 0.0100015000000000, 0.0254677700000000 ] - [ -0.0003325900000000, 0.0002958800000000, -0.0004202300000000 ] - [ -0.0013893400000000, -0.0006138200000000, 0.0020810400000000 ] - [ 0.0016588000000000, -0.0006872500000000, 0.0025279600000000 ] - [ -0.0202819500000000, -0.0125199600000000, 0.0278970400000000 ] - [ -0.0003959900000000, -0.0006891800000000, -0.0004935900000000 ] - [ 0.0013506400000000, 0.0021487900000000, 0.0002159000000000 ] - [ -0.0008400600000000, -0.0006593900000000, 0.0000750400000000 ] - [ -0.0014889000000000, -0.0006843200000000, 0.0007574000000000 ] - [ 0.0007752700000000, -0.0001366000000000, 0.0005270800000000 ] - [ -0.0001469600000000, -0.0018274700000000, -0.0005154500000000 ] - [ -0.0007282300000000, 0.0005189700000000, -0.0010132600000000 ] - [ -0.0020752100000000, 0.0008050200000000, 0.0007672900000000 ] - [ 0.0019501800000000, -0.0010141800000000, -0.0010502800000000 ] - [ 0.0005319600000000, -0.0007878100000000, 0.0008365700000000 ] - [ -0.0002635900000000, 0.0008916900000000, 0.0011291400000000 ] - [ 0.0008362600000000, 0.0002077000000000, -0.0014751000000000 ] - [ -0.0006652900000000, -0.0003383100000000, -0.0001331500000000 ] - [ 0.0074443800000000, 0.0070011200000000, -0.0062478600000000 ] - [ -0.0014204600000000, -0.0001238600000000, -0.0000104500000000 ] - [ -0.0016948100000000, 0.0002754600000000, 0.0011413200000000 ] - [ 0.0015077000000000, 0.0010059100000000, 0.0001100600000000 ] - [ -0.0030063700000000, -0.0023914200000000, 0.0014371300000000 ] - [ 0.0010190500000000, 0.0000919600000000, 0.0001706200000000 ] - [ -0.0124907400000000, 0.0093969300000000, 0.0043849000000000 ] - [ -0.0025156100000000, -0.0000566900000000, -0.0006570500000000 ] - [ -0.0017148900000000, 0.0008138000000000, 0.0007841600000000 ] - [ 0.0008281100000000, 0.0008461000000000, 0.0005114100000000 ] - [ 0.0027508000000000, -0.0035898200000000, -0.0009215700000000 ] - [ -0.0010704400000000, 0.0002309100000000, 0.0001061000000000 ] - [ 0.0018626400000000, -0.0003754900000000, -0.0002431900000000 ] - [ -0.0076134900000000, 0.0014302400000000, 0.0138995900000000 ] - [ -0.0019503500000000, -0.0022343700000000, -0.0052827200000000 ] - [ 0.0011960300000000, 0.0005612200000000, -0.0022196400000000 ] - [ -0.0033037200000000, 0.0029892200000000, 0.0018429100000000 ] - [ 0.0084651900000000, -0.0017670900000000, 0.0010290200000000 ] - [ -0.0008529200000000, -0.0011057600000000, 0.0054548200000000 ] - [ 0.0010361700000000, -0.0000259300000000, 0.0006854900000000 ] - [ 0.0013615000000000, 0.0005538900000000, -0.0014745400000000 ] - [ -0.0022381500000000, 0.0010768400000000, -0.0009192400000000 ] - [ 0.0009515800000000, -0.0040424300000000, -0.0033014500000000 ] - [ -0.0002665900000000, -0.0003492700000000, -0.0007489200000000 ] - [ 0.0008201400000000, -0.0030271200000000, -0.0020694700000000 ] - [ -0.0004089800000000, -0.0003227100000000, 0.0006864400000000 ] - [ 0.0009620500000000, 0.0006078400000000, -0.0018460300000000 ] - [ -0.0010850100000000, -0.0002497400000000, -0.0009921300000000 ] - [ -0.0019017000000000, -0.0008316400000000, 0.0036012500000000 ] - [ 0.0011829800000000, 0.0000030100000000, 0.0000807600000000 ] - [ 0.0046927300000000, 0.0007588400000000, 0.0015977900000000 ] - [ -0.0091682800000000, -0.0000145200000000, 0.0107093800000000 ] - [ -0.0001390200000000, 0.0010293500000000, -0.0018719900000000 ] - [ -0.0005583300000000, -0.0038154700000000, -0.0064831300000000 ] - [ -0.0051361700000000, 0.0018632400000000, 0.0005122100000000 ] - [ 0.0028629100000000, 0.0002861800000000, -0.0009178100000000 ] - [ 0.0112988300000000, 0.0059825400000000, -0.0023776200000000 ] - [ -0.0037853100000000, -0.0002817500000000, 0.0036024700000000 ] - [ 0.0039105600000000, -0.0004112900000000, -0.0042828100000000 ] - [ -0.0016757500000000, 0.0016595000000000, -0.0042655800000000 ] - [ -0.0088265900000000, 0.0341889800000000, 0.0791085700000000 ] - [ 0.0019600600000000, 0.0011414100000000, 0.0000317600000000 ] - [ 0.0007399500000000, -0.0007915700000000, 0.0009257900000000 ] - [ -0.0019574500000000, -0.0028912600000000, 0.0045402700000000 ] - [ 0.0005902600000000, -0.0006989200000000, -0.0013756200000000 ] - [ 0.0022488400000000, 0.0023287900000000, -0.0018642900000000 ] - [ -0.0030579200000000, -0.0039927200000000, -0.0012992400000000 ] - [ 0.0026193500000000, -0.0016695700000000, -0.0011599500000000 ] - [ 0.0020900900000000, -0.0000673800000000, -0.0004517500000000 ] - [ -0.0032312100000000, -0.0012785700000000, 0.0010192000000000 ] - [ -0.0011068000000000, 0.0010971800000000, -0.0015226100000000 ] - [ 0.0018502400000000, 0.0005268600000000, -0.0019814000000000 ] - [ -0.0007285500000000, -0.0014040400000000, 0.0023670600000000 ] - [ 0.0014433400000000, 0.0017169700000000, 0.0006809500000000 ] - [ 0.0121469400000000, -0.0179095800000000, 0.0130453700000000 ] - [ 0.0027276100000000, -0.0001341100000000, 0.0009171200000000 ] - [ 0.0044576900000000, -0.0008776800000000, -0.0032331700000000 ] - [ -0.0029392900000000, -0.0021322600000000, -0.0035805600000000 ] - [ 0.0029639100000000, 0.0069475800000000, -0.0116362900000000 ] - [ 0.0002891700000000, -0.0009043300000000, -0.0009118300000000 ]- atom: 1 displacement: [ 0.0065595163377495, 0.0000000000000000, -0.0075480292404573 ] forces: - [ -0.0426973500000000, 0.0269420000000000, 0.1644619300000000 ] - [ 0.0008970300000000, 0.0002772600000000, 0.0006701900000000 ] - [ 0.0022468200000000, 0.0005320700000000, -0.0036292400000000 ] - [ -0.0012875500000000, 0.0006759100000000, -0.0012689000000000 ] - [ 0.0023952200000000, -0.0012459300000000, -0.0035073400000000 ] - [ -0.0008972800000000, -0.0002287800000000, -0.0008971200000000 ] - [ 0.0024807600000000, 0.0013728400000000, 0.0023010000000000 ] - [ 0.0025504600000000, 0.0000103400000000, 0.0035108000000000 ] - [ 0.0012945000000000, 0.0007368700000000, -0.0019818200000000 ] - [ -0.0012135600000000, -0.0009911200000000, -0.0053761600000000 ] - [ -0.0005932100000000, 0.0105687500000000, -0.0148423200000000 ] - [ 0.0007804700000000, 0.0000373400000000, -0.0006618100000000 ] - [ -0.0000614800000000, 0.0001724500000000, 0.0009243000000000 ] - [ 0.0004716400000000, -0.0003786800000000, -0.0001821300000000 ] - [ 0.0006921400000000, -0.0003558700000000, -0.0010182300000000 ] - [ -0.0005110000000000, -0.0003395200000000, -0.0010967800000000 ] - [ 0.0001181700000000, -0.0011103600000000, 0.0010521600000000 ] - [ 0.0003473400000000, -0.0001486100000000, 0.0002333100000000 ] - [ 0.0004037900000000, -0.0001549700000000, 0.0002328200000000 ] - [ -0.0007115000000000, -0.0005341800000000, 0.0010400000000000 ] - [ -0.0001886100000000, -0.0003117600000000, -0.0012583600000000 ] - [ -0.0001014400000000, 0.0003304400000000, -0.0011732900000000 ] - [ -0.0007736800000000, -0.0015023600000000, 0.0009744900000000 ] - [ 0.0003953000000000, -0.0000652800000000, 0.0001914600000000 ] - [ 0.0031845200000000, 0.0018557700000000, -0.0010060800000000 ] - [ -0.0050621600000000, 0.0003895900000000, 0.0003371900000000 ] - [ 0.0006593500000000, -0.0003883600000000, -0.0012406900000000 ] - [ -0.0001060800000000, -0.0000216300000000, -0.0008006200000000 ] - [ -0.0147121600000000, -0.0081335600000000, 0.0078264000000000 ] - [ 0.0016440600000000, -0.0003017000000000, 0.0001562700000000 ] - [ 0.0046723000000000, 0.0032959800000000, 0.0001105200000000 ] - [ -0.0000172100000000, 0.0001256100000000, 0.0005179300000000 ] - [ 0.0020462600000000, -0.0010126900000000, -0.0008929700000000 ] - [ -0.0016024700000000, 0.0001881900000000, -0.0006874100000000 ] - [ 0.0108763600000000, -0.0098949500000000, -0.0038964600000000 ] - [ 0.0003523800000000, -0.0004325100000000, 0.0000477700000000 ] - [ -0.0004095500000000, 0.0002641200000000, 0.0014035200000000 ] - [ 0.0005282100000000, -0.0013066900000000, 0.0020631600000000 ] - [ 0.0010422900000000, 0.0003017000000000, -0.0005150800000000 ] - [ 0.0016637200000000, 0.0068357700000000, -0.0047267700000000 ] - [ -0.0018566800000000, -0.0018187000000000, -0.0011073100000000 ] - [ 0.0010918600000000, 0.0006532300000000, -0.0004452900000000 ] - [ -0.0026302300000000, 0.0020157800000000, 0.0048162800000000 ] - [ 0.0004300300000000, 0.0001645500000000, 0.0002659500000000 ] - [ 0.0007048600000000, 0.0003658900000000, -0.0010308600000000 ] - [ -0.0005924800000000, -0.0003752100000000, -0.0009841500000000 ] - [ 0.0020596100000000, -0.0012186000000000, -0.0010482300000000 ] - [ -0.0018014000000000, 0.0000566600000000, -0.0008064600000000 ] - [ -0.0000953000000000, -0.0009798100000000, 0.0008693900000000 ] - [ -0.0001450900000000, 0.0003155100000000, 0.0008404100000000 ] - [ 0.0002658200000000, 0.0000072800000000, -0.0007012000000000 ] - [ -0.0007483200000000, 0.0005135300000000, -0.0001775500000000 ] - [ -0.0005053200000000, -0.0003009200000000, 0.0000559000000000 ] - [ 0.0003781000000000, -0.0003565500000000, -0.0005959200000000 ] - [ -0.0005110800000000, -0.0009349900000000, 0.0011875900000000 ] - [ 0.0005087700000000, -0.0000322200000000, 0.0002941100000000 ] - [ 0.0007528900000000, 0.0003364400000000, -0.0011800800000000 ] - [ -0.0001034500000000, 0.0002836600000000, -0.0005960100000000 ] - [ 0.0006827300000000, 0.0001103300000000, -0.0002228000000000 ] - [ -0.0004297900000000, -0.0006492100000000, 0.0002295200000000 ] - [ 0.0018005700000000, -0.0005505900000000, -0.0010528800000000 ] - [ -0.0068698100000000, -0.0024405300000000, -0.0035833200000000 ] - [ 0.0015728000000000, -0.0015758800000000, -0.0043487200000000 ] - [ 0.0002256900000000, 0.0000625600000000, -0.0018500800000000 ] - [ -0.0054406100000000, 0.0036754800000000, 0.0104033100000000 ] - [ 0.0015948000000000, 0.0003538400000000, 0.0005489400000000 ] - [ 0.0233963000000000, -0.0099451900000000, -0.0248168200000000 ] - [ 0.0000766300000000, -0.0004648700000000, 0.0005434800000000 ] - [ 0.0011413500000000, 0.0004500900000000, -0.0019212900000000 ] - [ -0.0019181200000000, 0.0005375500000000, -0.0023968900000000 ] - [ 0.0204820200000000, 0.0125673500000000, -0.0282308200000000 ] - [ 0.0001807900000000, 0.0005196400000000, 0.0006016600000000 ] - [ -0.0017969000000000, -0.0025633200000000, -0.0003224700000000 ] - [ 0.0003666000000000, 0.0002376900000000, -0.0001737900000000 ] - [ 0.0010077600000000, 0.0002457900000000, -0.0008551100000000 ] - [ -0.0012678700000000, -0.0002991700000000, -0.0006209100000000 ] - [ -0.0003173400000000, 0.0013713300000000, 0.0004334900000000 ] - [ 0.0002975700000000, -0.0009548700000000, 0.0009097100000000 ] - [ 0.0025423900000000, -0.0012280300000000, -0.0006769500000000 ] - [ -0.0014730300000000, 0.0005600400000000, 0.0011297200000000 ] - [ -0.0001069600000000, 0.0003638500000000, -0.0007373700000000 ] - [ 0.0007052800000000, -0.0013263300000000, -0.0010158700000000 ] - [ -0.0003485700000000, -0.0006456500000000, 0.0015847900000000 ] - [ 0.0011453800000000, -0.0001038900000000, 0.0002370600000000 ] - [ -0.0068915900000000, -0.0067271200000000, 0.0063387500000000 ] - [ 0.0018466200000000, 0.0005623100000000, 0.0001151700000000 ] - [ 0.0021727600000000, 0.0001734400000000, -0.0010349200000000 ] - [ -0.0010348800000000, -0.0005672200000000, -0.0000191800000000 ] - [ 0.0035118900000000, 0.0028416500000000, -0.0013471600000000 ] - [ -0.0005353900000000, 0.0003401500000000, -0.0000761800000000 ] - [ 0.0119778600000000, -0.0089529700000000, -0.0044528300000000 ] - [ 0.0019895200000000, 0.0004867700000000, 0.0005519200000000 ] - [ 0.0012700400000000, -0.0003608100000000, -0.0008865900000000 ] - [ -0.0012465300000000, -0.0003961500000000, -0.0006180200000000 ] - [ -0.0032608800000000, 0.0040406800000000, 0.0008504200000000 ] - [ 0.0005990700000000, 0.0001864100000000, -0.0002000100000000 ] - [ -0.0018392500000000, 0.0002583000000000, 0.0002539000000000 ] - [ 0.0076972400000000, -0.0021160500000000, -0.0128443800000000 ] - [ 0.0019625000000000, 0.0021638100000000, 0.0053129600000000 ] - [ -0.0012099000000000, -0.0006530600000000, 0.0022188700000000 ] - [ 0.0033129300000000, -0.0031065700000000, -0.0018377600000000 ] - [ -0.0084871600000000, 0.0016749900000000, -0.0010637900000000 ] - [ 0.0008107300000000, 0.0012137300000000, -0.0054590600000000 ] - [ -0.0010314300000000, 0.0001247500000000, -0.0006856000000000 ] - [ -0.0013595200000000, -0.0004372200000000, 0.0014690800000000 ] - [ 0.0022296400000000, -0.0009978200000000, 0.0009264700000000 ] - [ -0.0009503900000000, 0.0041626000000000, 0.0033128600000000 ] - [ 0.0002748400000000, 0.0004514600000000, 0.0007421400000000 ] - [ -0.0008290100000000, 0.0029300200000000, 0.0020837500000000 ] - [ 0.0004094800000000, 0.0002364600000000, -0.0006817300000000 ] - [ -0.0009511900000000, -0.0006997800000000, 0.0018519000000000 ] - [ 0.0010782600000000, 0.0001587900000000, 0.0009965700000000 ] - [ 0.0019066000000000, 0.0007616900000000, -0.0036344500000000 ] - [ -0.0011785200000000, -0.0000971300000000, -0.0000790000000000 ] - [ -0.0047019300000000, -0.0006784100000000, -0.0015958500000000 ] - [ 0.0094865300000000, 0.0004380000000000, -0.0106486700000000 ] - [ 0.0001561900000000, -0.0009593700000000, 0.0018889500000000 ] - [ 0.0005451300000000, 0.0038903000000000, 0.0064635200000000 ] - [ 0.0051495100000000, -0.0017672900000000, -0.0005321400000000 ] - [ -0.0028743900000000, -0.0001913900000000, 0.0009104900000000 ] - [ -0.0112624800000000, -0.0046121500000000, 0.0023763500000000 ] - [ 0.0038322300000000, 0.0016092800000000, -0.0035651300000000 ] - [ -0.0039290500000000, 0.0017724700000000, 0.0042883500000000 ] - [ 0.0016589600000000, -0.0002995000000000, 0.0042365800000000 ] - [ 0.0080310100000000, -0.0344402500000000, -0.0823110100000000 ] - [ -0.0019493000000000, 0.0002192400000000, -0.0000348000000000 ] - [ -0.0007480200000000, -0.0005665000000000, -0.0009138100000000 ] - [ 0.0020147900000000, 0.0014865600000000, -0.0045454100000000 ] - [ -0.0005649400000000, -0.0006637500000000, 0.0013808500000000 ] - [ -0.0022418400000000, -0.0036739500000000, 0.0018534300000000 ] - [ 0.0030553000000000, 0.0026551600000000, 0.0012886500000000 ] - [ -0.0026270100000000, 0.0003297000000000, 0.0011348300000000 ] - [ -0.0020775300000000, 0.0014346100000000, 0.0004562300000000 ] - [ 0.0032218200000000, 0.0026424100000000, -0.0009604600000000 ] - [ 0.0011055000000000, 0.0002661800000000, 0.0015241900000000 ] - [ -0.0018671900000000, 0.0008240200000000, 0.0019781000000000 ] - [ 0.0007320600000000, 0.0027840900000000, -0.0023912900000000 ] - [ -0.0014176000000000, -0.0003471100000000, -0.0007218900000000 ] - [ -0.0127578300000000, 0.0168923100000000, -0.0129884500000000 ] - [ -0.0027011700000000, -0.0012286500000000, -0.0009173100000000 ] - [ -0.0044299300000000, -0.0004851700000000, 0.0032114600000000 ] - [ 0.0029252000000000, 0.0007709700000000, 0.0036323900000000 ] - [ -0.0029499800000000, -0.0083506600000000, 0.0116555000000000 ] - [ -0.0003073800000000, -0.0004642100000000, 0.0008944500000000 ]- atom: 25 displacement: [ 0.0099999955564931, 0.0000000000000000, -0.0000094270948691 ] forces: - [ 0.0019976700000000, -0.0003971500000000, -0.0026163500000000 ] - [ -0.0008297500000000, -0.0025739600000000, 0.0058947000000000 ] - [ -0.0018741300000000, 0.0092348400000000, 0.0177700100000000 ] - [ 0.0012607800000000, -0.0006607500000000, -0.0011977300000000 ] - [ -0.0001502800000000, -0.0009715600000000, -0.0011394400000000 ] - [ -0.0002489800000000, 0.0004922800000000, -0.0001859600000000 ] - [ -0.0051403100000000, 0.0058835800000000, -0.0187621700000000 ] - [ 0.0014429600000000, -0.0003049800000000, 0.0009104900000000 ] - [ 0.0000340600000000, -0.0043283300000000, -0.0060675500000000 ] - [ 0.0018126800000000, 0.0003566200000000, 0.0017237500000000 ] - [ 0.0009692500000000, 0.0004237000000000, -0.0017400700000000 ] - [ -0.0005801400000000, -0.0004314900000000, 0.0017199200000000 ] - [ 0.0001414600000000, -0.0026960600000000, -0.0004514400000000 ] - [ 0.0008745400000000, 0.0016546800000000, 0.0013773300000000 ] - [ -0.0007802700000000, 0.0011768900000000, -0.0027733000000000 ] - [ 0.0007939900000000, -0.0004018200000000, -0.0005274100000000 ] - [ 0.0007080700000000, -0.0001917700000000, -0.0007351100000000 ] - [ -0.0010126800000000, 0.0007111400000000, 0.0016848900000000 ] - [ -0.0023573300000000, 0.0049901000000000, 0.0012911700000000 ] - [ 0.0010287600000000, 0.0001052500000000, 0.0001620500000000 ] - [ 0.0002982400000000, 0.0012426100000000, -0.0025405200000000 ] - [ -0.0001140000000000, -0.0013955700000000, 0.0021626200000000 ] - [ -0.0002445000000000, -0.0005740100000000, -0.0012854100000000 ] - [ 0.0001298300000000, 0.0004300600000000, 0.0008140700000000 ] - [ -0.2170346100000000, -0.0998175100000000, 0.0232473200000000 ] - [ 0.0044425400000000, 0.0005375000000000, -0.0003974100000000 ] - [ 0.0008596600000000, -0.0004311400000000, -0.0015186300000000 ] - [ 0.0001793800000000, -0.0001163100000000, 0.0007997900000000 ] - [ 0.0008814100000000, -0.0001500000000000, -0.0014532700000000 ] - [ 0.0002230700000000, -0.0009697900000000, 0.0012344400000000 ] - [ 0.0235883000000000, -0.0081688400000000, -0.0063726000000000 ] - [ 0.0098652400000000, 0.0008645700000000, 0.0006592500000000 ] - [ -0.0015761900000000, -0.0016327600000000, -0.0032248900000000 ] - [ 0.0017805200000000, -0.0006517400000000, -0.0001103500000000 ] - [ 0.0019620500000000, -0.0010348300000000, -0.0006909200000000 ] - [ -0.0020762400000000, -0.0001790700000000, 0.0010531800000000 ] - [ -0.0062381900000000, -0.0059613200000000, -0.0031223900000000 ] - [ 0.0025417900000000, 0.0009298300000000, 0.0003077700000000 ] - [ 0.0213638000000000, 0.0124618500000000, -0.0129825400000000 ] - [ 0.0024201900000000, -0.0008746000000000, 0.0015551100000000 ] - [ 0.0011403300000000, 0.0002608500000000, -0.0006265900000000 ] - [ -0.0012274000000000, -0.0006427400000000, 0.0009624500000000 ] - [ 0.0033818600000000, -0.0017409600000000, -0.0014431900000000 ] - [ 0.0048545200000000, 0.0113280400000000, 0.0151264700000000 ] - [ 0.0048162700000000, -0.0078862600000000, 0.0098785800000000 ] - [ 0.0033819400000000, -0.0008797200000000, -0.0011765500000000 ] - [ -0.0000109500000000, 0.0004698500000000, -0.0004061900000000 ] - [ -0.0000076500000000, -0.0008638000000000, -0.0006387000000000 ] - [ -0.0021892500000000, 0.0007304400000000, 0.0004089900000000 ] - [ 0.0011040000000000, 0.0001509000000000, 0.0003864400000000 ] - [ -0.0002570600000000, 0.0022869500000000, 0.0000403800000000 ] - [ 0.0010025900000000, -0.0002998600000000, 0.0003588800000000 ] - [ 0.0005474800000000, -0.0000206600000000, -0.0010008400000000 ] - [ -0.0007955700000000, 0.0003013900000000, 0.0008443100000000 ] - [ 0.0009699400000000, 0.0001763200000000, -0.0005500400000000 ] - [ -0.0001506800000000, 0.0014153500000000, 0.0004648900000000 ] - [ -0.0021766100000000, 0.0000839700000000, 0.0001533900000000 ] - [ 0.0025961200000000, 0.0018027500000000, -0.0009703800000000 ] - [ 0.0002173500000000, 0.0002201300000000, -0.0006185400000000 ] - [ -0.0000558800000000, 0.0001961600000000, 0.0001967500000000 ] - [ -0.0098096300000000, -0.0059118900000000, 0.0007544600000000 ] - [ 0.0027917800000000, -0.0001799800000000, 0.0000538900000000 ] - [ 0.0011058600000000, -0.0008022100000000, -0.0017437800000000 ] - [ 0.0004948700000000, 0.0000902200000000, 0.0019236900000000 ] - [ 0.0014032700000000, -0.0008226300000000, -0.0033060000000000 ] - [ 0.0003461800000000, 0.0001263600000000, 0.0011319300000000 ] - [ 0.0138447700000000, 0.0121646800000000, -0.0040347800000000 ] - [ 0.0056842700000000, -0.0065897200000000, 0.0021635900000000 ] - [ -0.0030724600000000, -0.0001270100000000, 0.0015173500000000 ] - [ 0.0007756300000000, -0.0000811200000000, -0.0002178100000000 ] - [ 0.0010730700000000, 0.0002837100000000, -0.0008763600000000 ] - [ -0.0023009400000000, -0.0002544000000000, -0.0004632300000000 ] - [ 0.0002214700000000, 0.0015161300000000, 0.0000740800000000 ] - [ 0.0002180000000000, 0.0000258300000000, -0.0002904500000000 ] - [ -0.0010894800000000, -0.0001446600000000, 0.0001867900000000 ] - [ 0.0010740100000000, 0.0006177800000000, -0.0004941100000000 ] - [ 0.0010899800000000, 0.0002637900000000, -0.0004048100000000 ] - [ -0.0010740000000000, 0.0002300100000000, -0.0001733400000000 ] - [ -0.0018409600000000, 0.0015052300000000, 0.0006987700000000 ] - [ 0.0019950200000000, -0.0004555200000000, 0.0000421300000000 ] - [ 0.0005657500000000, -0.0001687400000000, -0.0002871400000000 ] - [ -0.0007015100000000, 0.0008359900000000, 0.0008258900000000 ] - [ -0.0003288000000000, 0.0006139000000000, -0.0003036200000000 ] - [ 0.0002646100000000, -0.0002144400000000, 0.0003077100000000 ] - [ 0.0036007700000000, 0.0026309100000000, -0.0012099800000000 ] - [ -0.0013530300000000, -0.0005160600000000, 0.0005327400000000 ] - [ -0.0023351800000000, 0.0011457200000000, 0.0002162300000000 ] - [ 0.0019552100000000, 0.0007062100000000, -0.0002061800000000 ] - [ 0.0003516800000000, 0.0003332200000000, -0.0001550300000000 ] - [ 0.0001346300000000, 0.0003419100000000, 0.0001284900000000 ] - [ -0.0023668600000000, 0.0032170800000000, 0.0002431700000000 ] - [ 0.0016331400000000, -0.0007488900000000, 0.0000640800000000 ] - [ -0.0023386500000000, 0.0009306600000000, 0.0002558200000000 ] - [ 0.0016560200000000, 0.0000768600000000, 0.0001133700000000 ] - [ 0.0007389700000000, -0.0000281300000000, -0.0006081800000000 ] - [ -0.0010903300000000, 0.0006506600000000, 0.0003177600000000 ] - [ 0.0173031200000000, -0.0015934600000000, -0.0005776100000000 ] - [ -0.0106510700000000, 0.0000023000000000, -0.0015392000000000 ] - [ -0.0021399400000000, 0.0008389100000000, 0.0019612900000000 ] - [ 0.0028719200000000, 0.0019322500000000, -0.0055725400000000 ] - [ 0.0020615400000000, 0.0034054700000000, 0.0044002800000000 ] - [ -0.0016823900000000, -0.0003224500000000, -0.0000989000000000 ] - [ -0.0003776200000000, 0.0054059600000000, 0.0061480200000000 ] - [ -0.0039381400000000, -0.0018282800000000, -0.0025036100000000 ] - [ 0.0122540100000000, -0.0077250500000000, 0.0086681900000000 ] - [ -0.0036813300000000, -0.0000779100000000, 0.0000131000000000 ] - [ -0.0009339800000000, 0.0002133100000000, 0.0020519800000000 ] - [ 0.0008349200000000, 0.0000653400000000, -0.0019309900000000 ] - [ 0.0035565700000000, -0.0015441700000000, -0.0003481500000000 ] - [ -0.0023753000000000, -0.0006092900000000, -0.0002154100000000 ] - [ 0.0006486100000000, -0.0014827200000000, 0.0008925200000000 ] - [ -0.0009194400000000, 0.0002785200000000, -0.0005335400000000 ] - [ -0.0008407200000000, -0.0007557700000000, 0.0016923900000000 ] - [ 0.0005771600000000, -0.0007462100000000, -0.0013965400000000 ] - [ 0.0063054000000000, -0.0019818400000000, -0.0008593400000000 ] - [ -0.0036803000000000, 0.0000941800000000, 0.0003424900000000 ] - [ -0.0010416400000000, 0.0020629300000000, 0.0016981100000000 ] - [ -0.0023080800000000, -0.0048592300000000, -0.0043514700000000 ] - [ -0.0005397700000000, -0.0010334800000000, 0.0015174100000000 ] - [ 0.0006636700000000, 0.0004726700000000, -0.0008872400000000 ] - [ 0.1317441400000000, 0.0991584900000000, -0.0257841600000000 ] - [ -0.0096964500000000, 0.0027327300000000, 0.0016897400000000 ] - [ 0.0002348100000000, 0.0029650800000000, 0.0063074200000000 ] - [ -0.0017770900000000, 0.0010335300000000, -0.0011763000000000 ] - [ -0.0037487500000000, 0.0014697300000000, 0.0037396400000000 ] - [ 0.0025631100000000, 0.0015529700000000, -0.0055463500000000 ] - [ 0.0147966000000000, -0.0077167900000000, -0.0107953800000000 ] - [ -0.0045038500000000, -0.0001140000000000, 0.0009592000000000 ] - [ -0.0099867800000000, -0.0080312800000000, 0.0034511900000000 ] - [ -0.0029630700000000, 0.0063263400000000, -0.0032627200000000 ] - [ -0.0012676500000000, -0.0000808900000000, 0.0013978000000000 ] - [ 0.0013954900000000, -0.0005656700000000, 0.0002940400000000 ] - [ 0.0008398500000000, -0.0027628400000000, -0.0007696000000000 ] - [ -0.0032183900000000, 0.0003534400000000, 0.0003364900000000 ] - [ -0.0024706300000000, -0.0005794600000000, 0.0021953100000000 ] - [ 0.0029298700000000, 0.0001142700000000, -0.0012132200000000 ] - [ 0.0019371200000000, -0.0006858500000000, -0.0000816500000000 ] - [ -0.0014119100000000, 0.0002625800000000, 0.0001496300000000 ] - [ -0.0045193300000000, -0.0087014800000000, 0.0100382100000000 ] - [ -0.0012250600000000, 0.0022819900000000, -0.0041280400000000 ] - [ 0.0110418800000000, -0.0017458400000000, -0.0002065400000000 ] - [ -0.0040933200000000, -0.0007840300000000, 0.0003531400000000 ] - [ -0.0017838800000000, -0.0003243800000000, 0.0020669600000000 ] - [ 0.0014149800000000, -0.0013012800000000, -0.0012260600000000 ]- atom: 25 displacement: [ -0.0099999955564931, 0.0000000000000000, 0.0000094270948691 ] forces: - [ -0.0022345200000000, 0.0006052800000000, 0.0028240200000000 ] - [ 0.0006035300000000, 0.0027858600000000, -0.0057719000000000 ] - [ 0.0015951000000000, -0.0090386900000000, -0.0174757500000000 ] - [ -0.0014560200000000, 0.0008490700000000, 0.0013449600000000 ] - [ -0.0000716200000000, 0.0011585400000000, 0.0012926800000000 ] - [ 0.0000228300000000, -0.0002938400000000, 0.0003648700000000 ] - [ 0.0052412300000000, -0.0056903200000000, 0.0183852900000000 ] - [ -0.0012544100000000, 0.0005151400000000, -0.0011069300000000 ] - [ 0.0002148700000000, 0.0045617300000000, 0.0059435400000000 ] - [ -0.0015884500000000, -0.0001831500000000, -0.0018701000000000 ] - [ -0.0007483300000000, -0.0002477100000000, 0.0016152400000000 ] - [ 0.0007962700000000, 0.0006063100000000, -0.0018668100000000 ] - [ 0.0000654100000000, 0.0025130200000000, 0.0003109400000000 ] - [ -0.0006521200000000, -0.0018782300000000, -0.0015842900000000 ] - [ 0.0009703800000000, -0.0013573200000000, 0.0025619700000000 ] - [ -0.0006067200000000, 0.0002166600000000, 0.0003953500000000 ] - [ -0.0004706800000000, -0.0000081400000000, 0.0005559200000000 ] - [ 0.0012521800000000, -0.0008932300000000, -0.0018517900000000 ] - [ 0.0021830400000000, -0.0050759800000000, -0.0010908900000000 ] - [ -0.0012476800000000, -0.0002907700000000, -0.0000150400000000 ] - [ -0.0005273500000000, -0.0014426600000000, 0.0027379300000000 ] - [ -0.0001291700000000, 0.0012030800000000, -0.0019851900000000 ] - [ 0.0000497800000000, 0.0003735400000000, 0.0014235000000000 ] - [ -0.0003286100000000, -0.0006391100000000, -0.0006456600000000 ] - [ 0.2142631500000000, 0.0932451000000000, -0.0214805300000000 ] - [ -0.0048339900000000, -0.0009107000000000, 0.0002706700000000 ] - [ -0.0012066700000000, 0.0000810800000000, 0.0013805200000000 ] - [ -0.0005586500000000, -0.0002440000000000, -0.0009490400000000 ] - [ -0.0011853600000000, -0.0002054900000000, 0.0012950700000000 ] - [ -0.0005273700000000, 0.0006139500000000, -0.0013930700000000 ] - [ -0.0228884400000000, 0.0077423500000000, 0.0064136400000000 ] - [ -0.0096087000000000, -0.0012292500000000, -0.0005279600000000 ] - [ 0.0019317800000000, 0.0012478500000000, 0.0033212100000000 ] - [ -0.0014511700000000, 0.0002801600000000, 0.0002518700000000 ] - [ -0.0016042000000000, 0.0006894900000000, 0.0008342200000000 ] - [ 0.0024516600000000, -0.0001904900000000, -0.0009058400000000 ] - [ 0.0064912800000000, 0.0063538400000000, 0.0033811700000000 ] - [ -0.0022301200000000, -0.0005714900000000, -0.0001611900000000 ] - [ -0.0212250500000000, -0.0122495000000000, 0.0133326000000000 ] - [ -0.0020808100000000, 0.0012009500000000, -0.0013975100000000 ] - [ -0.0007841300000000, 0.0000812100000000, 0.0007627400000000 ] - [ 0.0015868400000000, 0.0009899600000000, -0.0008317400000000 ] - [ -0.0037448700000000, 0.0020962300000000, 0.0012985300000000 ] - [ -0.0051887400000000, -0.0110720800000000, -0.0154258800000000 ] - [ -0.0052173700000000, 0.0082465300000000, -0.0099975000000000 ] - [ -0.0037241600000000, 0.0012463500000000, 0.0010380000000000 ] - [ -0.0003305600000000, -0.0001272300000000, 0.0002541000000000 ] - [ -0.0003372700000000, 0.0012036500000000, 0.0004983600000000 ] - [ 0.0019421800000000, -0.0005115500000000, -0.0002042000000000 ] - [ -0.0013436500000000, 0.0000429500000000, -0.0002005400000000 ] - [ 0.0001060900000000, -0.0021021600000000, 0.0000867000000000 ] - [ -0.0012039800000000, 0.0004969300000000, -0.0002284800000000 ] - [ -0.0007672400000000, 0.0002241700000000, 0.0011849900000000 ] - [ 0.0005743100000000, -0.0001099200000000, -0.0006804800000000 ] - [ -0.0007751600000000, 0.0000235600000000, 0.0003796100000000 ] - [ 0.0003589500000000, -0.0012190200000000, -0.0005971500000000 ] - [ 0.0024017200000000, 0.0001410700000000, -0.0003609600000000 ] - [ -0.0023812100000000, -0.0016357200000000, 0.0008218700000000 ] - [ -0.0000001500000000, -0.0000358800000000, 0.0004541900000000 ] - [ 0.0002707000000000, -0.0000202500000000, -0.0003222200000000 ] - [ 0.0100796400000000, 0.0055247800000000, -0.0009333600000000 ] - [ -0.0025811600000000, -0.0000008100000000, -0.0002400900000000 ] - [ -0.0009076000000000, 0.0006215300000000, 0.0016308700000000 ] - [ -0.0003040300000000, -0.0002887900000000, -0.0020752300000000 ] - [ -0.0011665900000000, 0.0006394000000000, 0.0031537200000000 ] - [ -0.0001143600000000, -0.0003346000000000, -0.0013315800000000 ] - [ -0.0139678800000000, -0.0123192500000000, 0.0042220900000000 ] - [ -0.0059799700000000, 0.0065098700000000, -0.0020248100000000 ] - [ 0.0028402800000000, -0.0000672200000000, -0.0013340100000000 ] - [ -0.0010126400000000, -0.0001050000000000, 0.0003938900000000 ] - [ -0.0012622400000000, -0.0004836500000000, 0.0010271500000000 ] - [ 0.0021105800000000, 0.0000718100000000, 0.0005866200000000 ] - [ -0.0005784000000000, -0.0018535300000000, -0.0002096200000000 ] - [ -0.0005772700000000, -0.0003802000000000, 0.0001702200000000 ] - [ 0.0007498700000000, -0.0001971000000000, -0.0003431700000000 ] - [ -0.0014377600000000, -0.0009674800000000, 0.0003572300000000 ] - [ -0.0014127700000000, -0.0006303800000000, 0.0002523400000000 ] - [ 0.0007646100000000, -0.0005864500000000, 0.0000218900000000 ] - [ 0.0021903600000000, -0.0018468800000000, -0.0005470100000000 ] - [ -0.0016518800000000, 0.0001165600000000, 0.0000941700000000 ] - [ -0.0002347000000000, -0.0002043400000000, 0.0004310000000000 ] - [ 0.0009998200000000, -0.0011815900000000, -0.0006678200000000 ] - [ 0.0006930400000000, -0.0009612200000000, 0.0004435500000000 ] - [ 0.0000885400000000, -0.0001316000000000, -0.0001601800000000 ] - [ -0.0032820100000000, -0.0022648300000000, 0.0013589900000000 ] - [ 0.0016599400000000, 0.0008778000000000, -0.0003718000000000 ] - [ 0.0026753600000000, -0.0008068600000000, -0.0000658200000000 ] - [ -0.0015798200000000, -0.0003320400000000, 0.0003426000000000 ] - [ 0.0000030300000000, 0.0000153100000000, 0.0002895800000000 ] - [ 0.0002238200000000, 0.0000207600000000, 0.0000061300000000 ] - [ 0.0020044500000000, -0.0028552100000000, -0.0003926300000000 ] - [ -0.0020003700000000, 0.0011118700000000, -0.0002105200000000 ] - [ 0.0020353500000000, -0.0005702300000000, -0.0004102000000000 ] - [ -0.0019713700000000, 0.0002852100000000, -0.0002671000000000 ] - [ -0.0010976300000000, 0.0003803300000000, 0.0004851900000000 ] - [ 0.0007292800000000, -0.0002898600000000, -0.0004515600000000 ] - [ -0.0194911800000000, 0.0025585300000000, 0.0001695900000000 ] - [ 0.0106115600000000, -0.0000746100000000, 0.0015170400000000 ] - [ 0.0021342500000000, -0.0009039900000000, -0.0019739100000000 ] - [ -0.0028503500000000, -0.0019529100000000, 0.0056097100000000 ] - [ -0.0020583800000000, -0.0034143700000000, -0.0044027600000000 ] - [ 0.0016954100000000, 0.0002701100000000, 0.0001157000000000 ] - [ 0.0004296900000000, -0.0053128700000000, -0.0061132700000000 ] - [ 0.0039174100000000, 0.0019078000000000, 0.0025148100000000 ] - [ -0.0123295200000000, 0.0076617300000000, -0.0085538800000000 ] - [ 0.0036969000000000, 0.0001569500000000, -0.0000242100000000 ] - [ 0.0009259000000000, -0.0001449900000000, -0.0020496300000000 ] - [ -0.0008321900000000, 0.0000132800000000, 0.0019296600000000 ] - [ -0.0035394900000000, 0.0014481600000000, 0.0003347300000000 ] - [ 0.0023814600000000, 0.0005321500000000, 0.0002125900000000 ] - [ -0.0006696600000000, 0.0014152000000000, -0.0008849300000000 ] - [ 0.0009259400000000, -0.0003488000000000, 0.0005334800000000 ] - [ 0.0008455700000000, 0.0006909900000000, -0.0016877700000000 ] - [ -0.0005779500000000, 0.0006716900000000, 0.0013950100000000 ] - [ -0.0062972700000000, 0.0020242100000000, 0.0008325600000000 ] - [ 0.0036787700000000, -0.0000460400000000, -0.0003357900000000 ] - [ 0.0010344000000000, -0.0020198500000000, -0.0017243700000000 ] - [ 0.0023217800000000, 0.0049036600000000, 0.0043353400000000 ] - [ 0.0005372600000000, 0.0011017600000000, -0.0015147800000000 ] - [ -0.0006587600000000, -0.0004129900000000, 0.0009044400000000 ] - [ -0.1269051600000000, -0.0922689000000000, 0.0242797700000000 ] - [ 0.0097812700000000, -0.0014540400000000, -0.0016840000000000 ] - [ -0.0003025800000000, -0.0016335000000000, -0.0062990900000000 ] - [ 0.0017821600000000, 0.0002822000000000, 0.0011473500000000 ] - [ 0.0037428400000000, -0.0001686900000000, -0.0037848800000000 ] - [ -0.0025710100000000, -0.0002244500000000, 0.0055593600000000 ] - [ -0.0149550700000000, 0.0063153300000000, 0.0106449700000000 ] - [ 0.0045033700000000, -0.0011851400000000, -0.0009321500000000 ] - [ 0.0100183900000000, 0.0067786700000000, -0.0034567800000000 ] - [ 0.0030879400000000, -0.0076468000000000, 0.0031870600000000 ] - [ 0.0012644200000000, -0.0012085600000000, -0.0014026700000000 ] - [ -0.0014040200000000, -0.0007031100000000, -0.0002801700000000 ] - [ -0.0008838000000000, 0.0040396800000000, 0.0007718300000000 ] - [ 0.0032442000000000, 0.0009230000000000, -0.0003211500000000 ] - [ 0.0024633500000000, 0.0018850300000000, -0.0022317800000000 ] - [ -0.0029430000000000, 0.0011377400000000, 0.0012566500000000 ] - [ -0.0019161400000000, 0.0019689400000000, 0.0000199600000000 ] - [ 0.0014126200000000, 0.0010197900000000, -0.0001407100000000 ] - [ 0.0044946500000000, 0.0073635000000000, -0.0100698900000000 ] - [ 0.0012253800000000, -0.0036067300000000, 0.0041980700000000 ] - [ -0.0110280100000000, 0.0004739300000000, 0.0002622500000000 ] - [ 0.0041011400000000, -0.0005137700000000, -0.0003541300000000 ] - [ 0.0017867700000000, -0.0009784200000000, -0.0020805600000000 ] - [ -0.0014173600000000, 0.0000017200000000, 0.0012529800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011566500000000, -0.0006137200000000, -0.0015576700000000 ] - [ -0.0013723400000000, -0.0007638800000000, -0.0017668900000000 ] - [ 0.0040885100000000, 0.0070155500000000, 0.0141938000000000 ] - [ 0.0000138500000000, -0.0002496300000000, 0.0002759800000000 ] - [ -0.0003874200000000, -0.0003497900000000, 0.0000814600000000 ] - [ -0.0001294800000000, -0.0000441800000000, -0.0001698100000000 ] - [ 0.0004191100000000, 0.0047148900000000, -0.0125949000000000 ] - [ 0.0002636200000000, -0.0001250700000000, -0.0002496100000000 ] - [ -0.0018540700000000, -0.0012272300000000, 0.0028428700000000 ] - [ 0.0012191800000000, -0.0003648700000000, 0.0012926300000000 ] - [ 0.0004496400000000, 0.0001123700000000, -0.0008300700000000 ] - [ -0.0000193500000000, -0.0002581000000000, 0.0003237000000000 ] - [ -0.0007024600000000, -0.0004037900000000, 0.0012135700000000 ] - [ 0.0009929500000000, 0.0004315600000000, 0.0006128100000000 ] - [ -0.0008602700000000, 0.0030191300000000, -0.0096772800000000 ] - [ 0.0001216700000000, -0.0001470100000000, -0.0001824000000000 ] - [ 0.0003669000000000, -0.0001713400000000, -0.0004721600000000 ] - [ -0.0002329700000000, 0.0016503500000000, 0.0022680700000000 ] - [ 0.0039773300000000, 0.0205636400000000, 0.0059397600000000 ] - [ 0.0002483600000000, -0.0000970000000000, 0.0003285600000000 ] - [ 0.0004537900000000, 0.0004460900000000, -0.0012794300000000 ] - [ -0.0007578300000000, 0.0005322900000000, -0.0006668800000000 ] - [ -0.0004936300000000, -0.0001507200000000, -0.0000671400000000 ] - [ 0.0003095700000000, 0.0004656400000000, -0.0003134100000000 ] - [ -0.0985467400000000, -0.1775714000000000, 0.0419568900000000 ] - [ 0.0005242000000000, -0.0007719900000000, 0.0002983100000000 ] - [ -0.0001901600000000, -0.0011438100000000, -0.0004840500000000 ] - [ -0.0010067000000000, -0.0015062100000000, -0.0001063900000000 ] - [ -0.0004522300000000, -0.0011427400000000, -0.0003790500000000 ] - [ -0.0001239500000000, -0.0015086000000000, 0.0005187000000000 ] - [ 0.0081852800000000, -0.0146903600000000, -0.0022029800000000 ] - [ -0.0008242900000000, -0.0024340900000000, -0.0001958300000000 ] - [ 0.0016325100000000, -0.0051314800000000, -0.0036045500000000 ] - [ 0.0006551500000000, -0.0007403400000000, -0.0000479000000000 ] - [ 0.0010750000000000, -0.0009129700000000, -0.0003857700000000 ] - [ 0.0002157800000000, -0.0016154400000000, 0.0004225100000000 ] - [ -0.0059504200000000, -0.0023613300000000, 0.0072479200000000 ] - [ 0.0009489800000000, -0.0000191300000000, -0.0000439400000000 ] - [ 0.0125640000000000, 0.0004893700000000, -0.0041439900000000 ] - [ -0.0008100500000000, -0.0016689600000000, 0.0014804500000000 ] - [ 0.0002984300000000, -0.0001228000000000, -0.0001009100000000 ] - [ -0.0006069000000000, -0.0009956700000000, 0.0002663700000000 ] - [ 0.0008518200000000, -0.0009461900000000, -0.0007164200000000 ] - [ 0.0078517400000000, 0.0004543200000000, 0.0069078700000000 ] - [ -0.0114053700000000, 0.0004427100000000, -0.0058980000000000 ] - [ 0.0017265200000000, -0.0009500100000000, -0.0004808300000000 ] - [ 0.0008159900000000, -0.0004908100000000, -0.0005899700000000 ] - [ -0.0005078800000000, -0.0004932000000000, -0.0001284200000000 ] - [ -0.0018839400000000, 0.0016945200000000, 0.0016889700000000 ] - [ 0.0006041200000000, 0.0002534400000000, 0.0001567100000000 ] - [ 0.0026616600000000, 0.0031423600000000, 0.0003864800000000 ] - [ -0.0005996400000000, 0.0007971600000000, 0.0006274100000000 ] - [ 0.0000905300000000, 0.0002217900000000, -0.0003363700000000 ] - [ -0.0005373500000000, 0.0003559200000000, -0.0001656400000000 ] - [ -0.0000108100000000, 0.0004023500000000, -0.0000341600000000 ] - [ 0.0014983700000000, 0.0013545000000000, 0.0005636200000000 ] - [ -0.0024886900000000, 0.0029427900000000, -0.0013438400000000 ] - [ 0.0011875400000000, 0.0009621000000000, -0.0005121700000000 ] - [ 0.0007715200000000, 0.0005663600000000, -0.0009955300000000 ] - [ -0.0004499100000000, 0.0002600300000000, 0.0001545700000000 ] - [ -0.0070416900000000, 0.0305443600000000, 0.0028254700000000 ] - [ 0.0009711800000000, 0.0000677800000000, 0.0001948600000000 ] - [ 0.0001891900000000, -0.0003348300000000, 0.0000610500000000 ] - [ 0.0007136400000000, -0.0001444100000000, 0.0014761300000000 ] - [ 0.0010570800000000, -0.0007316200000000, -0.0027475700000000 ] - [ 0.0000264200000000, -0.0002596300000000, -0.0003465100000000 ] - [ 0.0100569800000000, 0.0095570500000000, -0.0032081900000000 ] - [ -0.0008135900000000, 0.0004028200000000, -0.0001630100000000 ] - [ -0.0015626100000000, -0.0017590900000000, 0.0039359800000000 ] - [ 0.0000613200000000, -0.0002139300000000, 0.0002410000000000 ] - [ 0.0002667700000000, 0.0000031900000000, -0.0003868900000000 ] - [ -0.0009668800000000, -0.0002178600000000, -0.0014934800000000 ] - [ 0.0000028700000000, 0.0020418900000000, -0.0001822700000000 ] - [ 0.0014600700000000, 0.0020336100000000, -0.0009000600000000 ] - [ 0.0001979600000000, 0.0015152200000000, 0.0000959800000000 ] - [ 0.0002302500000000, 0.0004427300000000, -0.0002823000000000 ] - [ 0.0005990300000000, 0.0004378000000000, -0.0004319000000000 ] - [ -0.0001678400000000, 0.0015128600000000, -0.0008084800000000 ] - [ -0.0014614000000000, 0.0060131200000000, 0.0005326000000000 ] - [ 0.0004951500000000, 0.0003285700000000, 0.0003439000000000 ] - [ 0.0001664000000000, 0.0004740200000000, 0.0002153800000000 ] - [ -0.0008143200000000, 0.0017638400000000, 0.0009912400000000 ] - [ -0.0005713800000000, 0.0008744200000000, -0.0000734800000000 ] - [ 0.0002550000000000, 0.0003813500000000, 0.0001565100000000 ] - [ 0.0026402000000000, 0.0022318000000000, -0.0009588900000000 ] - [ -0.0005028700000000, 0.0011750700000000, -0.0000794200000000 ] - [ 0.0011972400000000, 0.0036543500000000, 0.0000472600000000 ] - [ 0.0007218900000000, 0.0008260700000000, -0.0000939200000000 ] - [ 0.0003678800000000, 0.0007525000000000, -0.0000642400000000 ] - [ 0.0003670900000000, 0.0007115400000000, -0.0000507600000000 ] - [ -0.0009656100000000, 0.0031264500000000, 0.0001037400000000 ] - [ -0.0001081000000000, 0.0007165100000000, 0.0001142500000000 ] - [ -0.0032377100000000, 0.0031320800000000, 0.0010045500000000 ] - [ 0.0007404500000000, 0.0007218300000000, 0.0002743400000000 ] - [ -0.0000076400000000, 0.0003880400000000, -0.0002657600000000 ] - [ -0.0006805200000000, 0.0009756300000000, 0.0001034300000000 ] - [ -0.0158105200000000, 0.0226849800000000, -0.0036981800000000 ] - [ -0.0046759900000000, 0.0015900300000000, -0.0011884900000000 ] - [ -0.0004816900000000, 0.0009800300000000, 0.0005098500000000 ] - [ 0.0004457300000000, 0.0056269400000000, -0.0026793200000000 ] - [ 0.0009617700000000, 0.0047925100000000, 0.0023112500000000 ] - [ -0.0006080100000000, 0.0007007400000000, 0.0004270500000000 ] - [ 0.0031041500000000, 0.0025972800000000, 0.0019033300000000 ] - [ -0.0031342800000000, 0.0004526100000000, -0.0003642400000000 ] - [ 0.0012093400000000, 0.0073482500000000, 0.0066632000000000 ] - [ -0.0006620700000000, 0.0003326300000000, -0.0003041600000000 ] - [ -0.0007441200000000, 0.0004718000000000, 0.0009354400000000 ] - [ 0.0007196500000000, 0.0010272300000000, -0.0005709800000000 ] - [ 0.0035370600000000, -0.0058665400000000, -0.0000736900000000 ] - [ -0.0012401700000000, -0.0008634500000000, -0.0002752200000000 ] - [ -0.0007078100000000, -0.0030505800000000, 0.0003388900000000 ] - [ 0.0003070900000000, -0.0009395800000000, -0.0001942700000000 ] - [ -0.0001332900000000, -0.0010586300000000, 0.0008935800000000 ] - [ -0.0001962900000000, -0.0020049200000000, -0.0004098900000000 ] - [ 0.0030194000000000, -0.0048970900000000, 0.0042237400000000 ] - [ -0.0015727500000000, -0.0003237200000000, 0.0002645100000000 ] - [ 0.0013026800000000, -0.0008104100000000, 0.0000850300000000 ] - [ -0.0032201700000000, -0.0042107100000000, -0.0034185300000000 ] - [ -0.0000710600000000, -0.0008543100000000, 0.0009068100000000 ] - [ 0.0001229500000000, -0.0009273300000000, -0.0008403000000000 ] - [ 0.0956518300000000, 0.1060555100000000, -0.0239372000000000 ] - [ -0.0003597500000000, 0.0015035600000000, -0.0002704500000000 ] - [ -0.0005998600000000, 0.0060160800000000, -0.0008671500000000 ] - [ -0.0001644100000000, 0.0024776500000000, -0.0008461900000000 ] - [ -0.0015660200000000, 0.0021810300000000, 0.0019557700000000 ] - [ 0.0006446500000000, 0.0038884000000000, 0.0002423600000000 ] - [ -0.0000338400000000, -0.0093575900000000, -0.0203643700000000 ] - [ -0.0013948900000000, 0.0001475100000000, 0.0003692300000000 ] - [ -0.0064755600000000, -0.0025791300000000, 0.0016569200000000 ] - [ 0.0069186500000000, -0.0018673500000000, -0.0030183100000000 ] - [ 0.0002560300000000, -0.0001753800000000, 0.0001669800000000 ] - [ -0.0002899500000000, 0.0013450700000000, 0.0035594100000000 ] - [ -0.0042175000000000, -0.0074690200000000, 0.0001822200000000 ] - [ -0.0003578400000000, -0.0014604500000000, -0.0007417800000000 ] - [ -0.0009111500000000, -0.0005938300000000, 0.0008816400000000 ] - [ 0.0018482900000000, -0.0038146800000000, 0.0007996800000000 ] - [ 0.0015656400000000, -0.0023330000000000, -0.0009968000000000 ] - [ -0.0010188300000000, -0.0005432900000000, 0.0006819700000000 ] - [ -0.0042030000000000, -0.0065716500000000, 0.0075591900000000 ] - [ 0.0006429200000000, -0.0016310800000000, 0.0004386200000000 ] - [ 0.0051505800000000, -0.0081794800000000, -0.0123981200000000 ] - [ -0.0012937300000000, -0.0012340600000000, -0.0004373400000000 ] - [ -0.0005414000000000, -0.0010744500000000, 0.0004900400000000 ] - [ 0.0003601700000000, -0.0017806600000000, -0.0000579500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013890100000000, 0.0008164400000000, 0.0017896300000000 ] - [ 0.0011581200000000, 0.0009331100000000, 0.0019760200000000 ] - [ -0.0042467300000000, -0.0068111800000000, -0.0139769900000000 ] - [ -0.0001936300000000, 0.0004220200000000, -0.0001469400000000 ] - [ 0.0001716700000000, 0.0005177700000000, 0.0000862500000000 ] - [ -0.0000925600000000, 0.0002312200000000, 0.0003652600000000 ] - [ -0.0002348400000000, -0.0045207200000000, 0.0123946100000000 ] - [ -0.0000768700000000, 0.0003249300000000, 0.0000727400000000 ] - [ 0.0020802100000000, 0.0014046800000000, -0.0030748100000000 ] - [ -0.0009975500000000, 0.0005324400000000, -0.0014650000000000 ] - [ -0.0002411900000000, 0.0000552600000000, 0.0006809600000000 ] - [ 0.0002345900000000, 0.0004258600000000, -0.0004857500000000 ] - [ 0.0009327000000000, 0.0002412100000000, -0.0013700700000000 ] - [ -0.0007896900000000, -0.0006206100000000, -0.0008160300000000 ] - [ 0.0010611900000000, -0.0032424400000000, 0.0096408800000000 ] - [ 0.0000617100000000, -0.0000228900000000, 0.0000351800000000 ] - [ -0.0001382600000000, -0.0000073900000000, 0.0003062300000000 ] - [ 0.0004701300000000, -0.0018362100000000, -0.0024822100000000 ] - [ -0.0042682600000000, -0.0211268500000000, -0.0059015500000000 ] - [ -0.0004576300000000, -0.0000740300000000, -0.0001658700000000 ] - [ -0.0006915600000000, -0.0006220200000000, 0.0014668500000000 ] - [ 0.0005331900000000, -0.0007298300000000, 0.0008959100000000 ] - [ 0.0003031200000000, -0.0000378800000000, 0.0002246900000000 ] - [ -0.0005032900000000, -0.0006672700000000, 0.0005086600000000 ] - [ 0.0945110900000000, 0.1754628800000000, -0.0418547800000000 ] - [ -0.0009546300000000, 0.0003701000000000, -0.0004106700000000 ] - [ -0.0002190300000000, 0.0007497800000000, 0.0003551800000000 ] - [ 0.0005902200000000, 0.0011123400000000, -0.0000145000000000 ] - [ 0.0000987200000000, 0.0007538100000000, 0.0002424300000000 ] - [ -0.0002202800000000, 0.0011261700000000, -0.0006582700000000 ] - [ -0.0077515500000000, 0.0141678200000000, 0.0023118000000000 ] - [ 0.0012294900000000, 0.0020580100000000, 0.0003181300000000 ] - [ -0.0012674600000000, 0.0047702800000000, 0.0037280800000000 ] - [ -0.0002840100000000, 0.0003337600000000, 0.0001739700000000 ] - [ -0.0006596900000000, 0.0005212300000000, 0.0005122000000000 ] - [ 0.0002079800000000, 0.0012138100000000, -0.0002942700000000 ] - [ 0.0063398700000000, 0.0028519700000000, -0.0070986300000000 ] - [ -0.0005797800000000, 0.0004146800000000, 0.0001779600000000 ] - [ -0.0121774300000000, -0.0000193300000000, 0.0042541200000000 ] - [ 0.0012206600000000, 0.0020611300000000, -0.0013579000000000 ] - [ 0.0001060300000000, 0.0005053500000000, 0.0002143000000000 ] - [ 0.0010233300000000, 0.0013934400000000, -0.0001420800000000 ] - [ -0.0012781400000000, 0.0013502400000000, 0.0006028200000000 ] - [ -0.0082612800000000, 0.0000273600000000, -0.0070130100000000 ] - [ 0.0110540400000000, 0.0000361400000000, 0.0057569900000000 ] - [ -0.0021227100000000, 0.0013698600000000, 0.0003545100000000 ] - [ -0.0012277400000000, 0.0008872400000000, 0.0004675900000000 ] - [ 0.0001163600000000, 0.0008689600000000, 0.0000026000000000 ] - [ 0.0016523100000000, -0.0014964500000000, -0.0015144200000000 ] - [ -0.0008413100000000, -0.0000610300000000, 0.0000558200000000 ] - [ -0.0028739000000000, -0.0029971300000000, -0.0002678300000000 ] - [ 0.0004207700000000, -0.0006142500000000, -0.0004875100000000 ] - [ -0.0003068300000000, -0.0000328200000000, 0.0005341500000000 ] - [ 0.0003327700000000, -0.0001624600000000, 0.0003674000000000 ] - [ 0.0002088400000000, -0.0002050100000000, -0.0001554800000000 ] - [ -0.0013163000000000, -0.0011533500000000, -0.0007327100000000 ] - [ 0.0027545500000000, -0.0027756400000000, 0.0011639100000000 ] - [ -0.0009666300000000, -0.0007851300000000, 0.0003277600000000 ] - [ -0.0005690200000000, -0.0003969800000000, 0.0008384800000000 ] - [ 0.0006587000000000, -0.0000862500000000, -0.0003013400000000 ] - [ 0.0071204200000000, -0.0302296400000000, -0.0030429500000000 ] - [ -0.0007615500000000, -0.0002471700000000, -0.0003739400000000 ] - [ -0.0000013400000000, 0.0001576800000000, -0.0002157300000000 ] - [ -0.0005296800000000, -0.0000429700000000, -0.0016411500000000 ] - [ -0.0008337600000000, 0.0005691700000000, 0.0026011500000000 ] - [ 0.0002052800000000, 0.0000694300000000, 0.0001561700000000 ] - [ -0.0102853500000000, -0.0097496800000000, 0.0034456200000000 ] - [ 0.0006277700000000, -0.0006080200000000, 0.0003513500000000 ] - [ 0.0013380400000000, 0.0015494400000000, -0.0037178600000000 ] - [ -0.0002911100000000, 0.0000296700000000, -0.0000618700000000 ] - [ -0.0004498800000000, -0.0001943300000000, 0.0005598200000000 ] - [ 0.0007812000000000, 0.0000322400000000, 0.0016485100000000 ] - [ -0.0003984100000000, -0.0024381900000000, 0.0000626100000000 ] - [ -0.0019283000000000, -0.0024656500000000, 0.0008020500000000 ] - [ -0.0005839500000000, -0.0019064700000000, -0.0002315000000000 ] - [ -0.0006389900000000, -0.0008307600000000, 0.0001623700000000 ] - [ -0.0009748000000000, -0.0008434000000000, 0.0003040200000000 ] - [ -0.0001977200000000, -0.0019120700000000, 0.0006776100000000 ] - [ 0.0018542000000000, -0.0064186900000000, -0.0004236500000000 ] - [ -0.0000831700000000, -0.0007174100000000, -0.0002291800000000 ] - [ 0.0002076300000000, -0.0008904700000000, -0.0000978500000000 ] - [ 0.0011778200000000, -0.0021677000000000, -0.0008569100000000 ] - [ 0.0009918400000000, -0.0012660900000000, 0.0001992100000000 ] - [ 0.0001469800000000, -0.0007709100000000, -0.0000224800000000 ] - [ -0.0022963600000000, -0.0018491100000000, 0.0010991200000000 ] - [ 0.0008463500000000, -0.0008016600000000, 0.0002216200000000 ] - [ -0.0007852400000000, -0.0032841700000000, 0.0000846600000000 ] - [ -0.0002921800000000, -0.0004229700000000, 0.0002089000000000 ] - [ 0.0000388600000000, -0.0003665200000000, 0.0001838200000000 ] - [ 0.0000391500000000, -0.0003222700000000, 0.0001697000000000 ] - [ 0.0005577200000000, -0.0027485500000000, -0.0002408900000000 ] - [ -0.0002978400000000, -0.0003333400000000, -0.0002391000000000 ] - [ 0.0028582400000000, -0.0027386300000000, -0.0011362700000000 ] - [ -0.0010944700000000, -0.0003409800000000, -0.0004204400000000 ] - [ -0.0004150300000000, 0.0000121000000000, 0.0001620600000000 ] - [ 0.0002758500000000, -0.0005883100000000, -0.0002231500000000 ] - [ 0.0151667200000000, -0.0226999600000000, 0.0035892400000000 ] - [ 0.0046648500000000, -0.0016796800000000, 0.0012040100000000 ] - [ 0.0004752200000000, -0.0010426000000000, -0.0005042400000000 ] - [ -0.0004309400000000, -0.0056953200000000, 0.0027128200000000 ] - [ -0.0009468700000000, -0.0048527800000000, -0.0023248200000000 ] - [ 0.0006149100000000, -0.0007745200000000, -0.0004388100000000 ] - [ -0.0031056400000000, -0.0025275900000000, -0.0018774800000000 ] - [ 0.0031263800000000, -0.0003921500000000, 0.0003587500000000 ] - [ -0.0013322700000000, -0.0081021800000000, -0.0059021800000000 ] - [ 0.0006503300000000, -0.0002801400000000, 0.0002999600000000 ] - [ 0.0007525300000000, -0.0004024600000000, -0.0009254800000000 ] - [ -0.0007100400000000, -0.0009522500000000, 0.0005775100000000 ] - [ -0.0035764000000000, 0.0058092100000000, 0.0000697100000000 ] - [ 0.0012325700000000, 0.0007894200000000, 0.0002754000000000 ] - [ 0.0007243900000000, 0.0029971200000000, -0.0003523900000000 ] - [ -0.0003158600000000, 0.0008833400000000, 0.0001983100000000 ] - [ 0.0001396500000000, 0.0009864400000000, -0.0008886500000000 ] - [ 0.0002117700000000, 0.0019366600000000, 0.0004202100000000 ] - [ -0.0030280500000000, 0.0049890900000000, -0.0042163000000000 ] - [ 0.0015667700000000, 0.0004019100000000, -0.0002600200000000 ] - [ -0.0013021200000000, 0.0008899400000000, -0.0000953000000000 ] - [ 0.0032313900000000, 0.0042970900000000, 0.0034362900000000 ] - [ 0.0000685400000000, 0.0009193500000000, -0.0008899700000000 ] - [ -0.0001125300000000, 0.0010068400000000, 0.0008385800000000 ] - [ -0.0911251200000000, -0.1024995300000000, 0.0228629000000000 ] - [ 0.0003578500000000, -0.0001849800000000, 0.0002950300000000 ] - [ 0.0005870400000000, -0.0047058400000000, 0.0009271900000000 ] - [ 0.0001494200000000, -0.0011620000000000, 0.0008132000000000 ] - [ 0.0015604600000000, -0.0008724600000000, -0.0019934700000000 ] - [ -0.0006445800000000, -0.0025743400000000, -0.0002781300000000 ] - [ 0.0000316300000000, 0.0079687700000000, 0.0205678600000000 ] - [ 0.0013927000000000, -0.0014862800000000, -0.0003697000000000 ] - [ 0.0065027000000000, 0.0012353600000000, -0.0016555900000000 ] - [ -0.0068919200000000, 0.0005593600000000, 0.0029435000000000 ] - [ -0.0002885000000000, -0.0011377400000000, -0.0001670500000000 ] - [ 0.0003051900000000, -0.0026644400000000, -0.0036102800000000 ] - [ 0.0043088000000000, 0.0088269700000000, -0.0001931300000000 ] - [ 0.0003502500000000, 0.0027718300000000, 0.0007763000000000 ] - [ 0.0008975300000000, 0.0019146800000000, -0.0009006200000000 ] - [ -0.0018816000000000, 0.0051219600000000, -0.0008030700000000 ] - [ -0.0015563500000000, 0.0036651100000000, 0.0009609000000000 ] - [ 0.0010311900000000, 0.0018557300000000, -0.0006961500000000 ] - [ 0.0042064500000000, 0.0052818700000000, -0.0076467600000000 ] - [ -0.0006406800000000, 0.0003502200000000, -0.0004366500000000 ] - [ -0.0051290800000000, 0.0069412100000000, 0.0123436900000000 ] - [ 0.0012736400000000, -0.0000746600000000, 0.0004316200000000 ] - [ 0.0005487900000000, -0.0002374300000000, -0.0004940600000000 ] - [ -0.0003728800000000, 0.0004721400000000, 0.0000764000000000 ]- atom: 25 displacement: [ -0.0065595163377495, 0.0000000000000000, 0.0075480292404573 ] forces: - [ -0.0020452500000000, 0.0006605700000000, 0.0023966400000000 ] - [ 0.0012236900000000, 0.0013932400000000, -0.0033939400000000 ] - [ 0.0059586500000000, -0.0017362900000000, -0.0149412000000000 ] - [ -0.0011521600000000, 0.0006549100000000, 0.0005259400000000 ] - [ -0.0000718600000000, 0.0014199700000000, 0.0020706700000000 ] - [ 0.0000773100000000, -0.0002159100000000, 0.0010972300000000 ] - [ 0.0005595700000000, -0.0066828500000000, 0.0134286500000000 ] - [ -0.0007758200000000, 0.0004998400000000, -0.0007410200000000 ] - [ -0.0005754800000000, 0.0044258400000000, 0.0031562600000000 ] - [ -0.0011013700000000, 0.0000305800000000, -0.0017570800000000 ] - [ -0.0007561800000000, -0.0002890200000000, 0.0017665300000000 ] - [ 0.0008361400000000, 0.0004079100000000, -0.0002429100000000 ] - [ -0.0000137500000000, 0.0013490700000000, -0.0019082600000000 ] - [ -0.0004518500000000, -0.0016424400000000, -0.0024683400000000 ] - [ 0.0011644300000000, -0.0024622000000000, 0.0069517600000000 ] - [ -0.0004472100000000, 0.0002735300000000, 0.0007332600000000 ] - [ -0.0004093400000000, -0.0000091600000000, 0.0007371000000000 ] - [ 0.0013295800000000, 0.0003955200000000, 0.0003256900000000 ] - [ 0.0016381800000000, -0.0009677200000000, -0.0053969800000000 ] - [ -0.0009445200000000, -0.0001702700000000, -0.0003860300000000 ] - [ -0.0007061900000000, -0.0013738800000000, 0.0025344200000000 ] - [ 0.0004262900000000, 0.0001269900000000, -0.0000309000000000 ] - [ -0.0002796200000000, 0.0003610400000000, 0.0016592800000000 ] - [ -0.0000755300000000, -0.0007344600000000, 0.0006919500000000 ] - [ 0.1566909600000000, 0.0932244300000000, -0.0668152400000000 ] - [ -0.0035629500000000, -0.0004187800000000, -0.0001295800000000 ] - [ -0.0019662100000000, -0.0002621100000000, 0.0014293600000000 ] - [ 0.0004989600000000, 0.0001993000000000, -0.0000430500000000 ] - [ -0.0019889800000000, -0.0005342500000000, 0.0013712800000000 ] - [ 0.0002065500000000, 0.0002934500000000, -0.0003353800000000 ] - [ -0.0197123300000000, 0.0067049500000000, 0.0038776500000000 ] - [ -0.0057155500000000, -0.0006685900000000, -0.0007197700000000 ] - [ -0.0011027200000000, 0.0035232000000000, 0.0077888700000000 ] - [ -0.0009566500000000, 0.0001814100000000, 0.0003416500000000 ] - [ -0.0014903400000000, 0.0007085900000000, 0.0009305800000000 ] - [ 0.0024768900000000, -0.0004776000000000, 0.0003252000000000 ] - [ 0.0019675600000000, 0.0096167700000000, 0.0106137200000000 ] - [ -0.0011546000000000, -0.0003690900000000, 0.0000153200000000 ] - [ -0.0238350600000000, -0.0111529500000000, 0.0100327200000000 ] - [ -0.0001171400000000, 0.0019399700000000, -0.0017287600000000 ] - [ -0.0009004400000000, 0.0000233500000000, 0.0008429900000000 ] - [ 0.0018461000000000, 0.0008820800000000, 0.0002144000000000 ] - [ -0.0034545100000000, 0.0017847500000000, 0.0009694100000000 ] - [ 0.0039897300000000, -0.0027332200000000, -0.0043294500000000 ] - [ 0.0079808100000000, 0.0002843400000000, -0.0009012400000000 ] - [ -0.0036215200000000, 0.0014089500000000, 0.0007895400000000 ] - [ -0.0007707900000000, 0.0000495900000000, 0.0010082500000000 ] - [ -0.0005918800000000, 0.0012626200000000, 0.0011561500000000 ] - [ 0.0007457800000000, 0.0008542800000000, -0.0002866700000000 ] - [ -0.0009084600000000, 0.0003347100000000, 0.0000242700000000 ] - [ -0.0013303200000000, -0.0034036200000000, -0.0016100100000000 ] - [ -0.0002464900000000, -0.0003046700000000, -0.0006250800000000 ] - [ -0.0008700300000000, 0.0002675800000000, 0.0013309900000000 ] - [ 0.0008247500000000, -0.0000637700000000, 0.0005600200000000 ] - [ -0.0006659000000000, 0.0002586300000000, -0.0001456800000000 ] - [ 0.0010561600000000, 0.0005631200000000, -0.0012315700000000 ] - [ 0.0028483500000000, -0.0016725800000000, -0.0002847800000000 ] - [ -0.0022373700000000, -0.0016751900000000, 0.0006372900000000 ] - [ -0.0002838300000000, -0.0003127600000000, 0.0011065300000000 ] - [ 0.0001961300000000, -0.0000690300000000, 0.0005624300000000 ] - [ 0.0078623600000000, -0.0000119900000000, -0.0058883300000000 ] - [ -0.0019653600000000, -0.0002081500000000, -0.0005105400000000 ] - [ -0.0012540900000000, 0.0009646000000000, 0.0015777500000000 ] - [ 0.0000683500000000, 0.0000771700000000, -0.0010849300000000 ] - [ -0.0012382100000000, 0.0004411200000000, 0.0030353200000000 ] - [ 0.0003007700000000, -0.0003937600000000, -0.0005087200000000 ] - [ -0.0133785000000000, -0.0121354300000000, 0.0035775700000000 ] - [ -0.0034480900000000, 0.0036697100000000, -0.0014898800000000 ] - [ 0.0022619200000000, 0.0010413000000000, -0.0013585600000000 ] - [ -0.0007896200000000, 0.0000121200000000, 0.0003390900000000 ] - [ -0.0012117300000000, -0.0005746800000000, 0.0012509400000000 ] - [ 0.0016313200000000, -0.0003563800000000, 0.0011874700000000 ] - [ -0.0006809700000000, -0.0019369400000000, -0.0004433000000000 ] - [ -0.0004214900000000, -0.0004436200000000, -0.0001898800000000 ] - [ 0.0003136000000000, -0.0007587800000000, -0.0000646700000000 ] - [ -0.0013255900000000, -0.0009938900000000, 0.0004505600000000 ] - [ -0.0013883200000000, -0.0006769300000000, 0.0003929200000000 ] - [ 0.0005763800000000, -0.0003490700000000, 0.0001863600000000 ] - [ 0.0020218600000000, -0.0016524100000000, -0.0007243500000000 ] - [ -0.0009676300000000, -0.0002242400000000, -0.0001681000000000 ] - [ -0.0002919500000000, -0.0003349200000000, 0.0002831300000000 ] - [ 0.0013364000000000, -0.0015546600000000, -0.0005679900000000 ] - [ 0.0003124700000000, -0.0006147500000000, 0.0006039000000000 ] - [ 0.0003631400000000, -0.0002446400000000, 0.0000788700000000 ] - [ -0.0029817000000000, -0.0021723600000000, 0.0012602100000000 ] - [ 0.0015327900000000, 0.0005301400000000, -0.0002035400000000 ] - [ 0.0019685600000000, -0.0004802100000000, -0.0004488000000000 ] - [ -0.0011020000000000, -0.0002499300000000, 0.0001096300000000 ] - [ -0.0000256700000000, 0.0000033800000000, 0.0003954700000000 ] - [ 0.0003409700000000, 0.0000265100000000, 0.0002477400000000 ] - [ 0.0014291200000000, -0.0025938900000000, -0.0004827200000000 ] - [ -0.0012937100000000, 0.0005432500000000, -0.0002404500000000 ] - [ 0.0014556400000000, -0.0004162700000000, -0.0004977200000000 ] - [ -0.0013048500000000, 0.0001316100000000, -0.0002818000000000 ] - [ -0.0012787400000000, 0.0004960400000000, 0.0006166900000000 ] - [ 0.0006394800000000, -0.0002360800000000, -0.0000487500000000 ] - [ -0.0091141100000000, -0.0013007700000000, 0.0090045300000000 ] - [ 0.0087356900000000, -0.0006765400000000, 0.0020533400000000 ] - [ 0.0021714500000000, -0.0010294000000000, -0.0017060600000000 ] - [ -0.0038682500000000, -0.0036110500000000, 0.0012159000000000 ] - [ -0.0010052900000000, -0.0010824000000000, -0.0059531600000000 ] - [ 0.0010193700000000, 0.0001790700000000, -0.0008097000000000 ] - [ 0.0030314000000000, -0.0054031900000000, -0.0037330700000000 ] - [ 0.0005911400000000, 0.0003169500000000, 0.0017337200000000 ] - [ -0.0091010200000000, 0.0023334100000000, 0.0021493500000000 ] - [ 0.0025127600000000, 0.0001368000000000, 0.0001396600000000 ] - [ 0.0013069400000000, 0.0000233400000000, -0.0023065900000000 ] - [ -0.0014638400000000, -0.0000661100000000, -0.0006624900000000 ] - [ -0.0020550100000000, 0.0014915300000000, 0.0018381000000000 ] - [ 0.0017579000000000, 0.0006707600000000, 0.0005635200000000 ] - [ 0.0001184500000000, 0.0018711400000000, -0.0009204200000000 ] - [ 0.0001420400000000, 0.0000049000000000, -0.0001008100000000 ] - [ 0.0010476500000000, 0.0006677700000000, -0.0016005700000000 ] - [ -0.0011967700000000, 0.0003234900000000, 0.0001858400000000 ] - [ -0.0051212100000000, 0.0026189700000000, 0.0002357200000000 ] - [ 0.0029834000000000, 0.0000445900000000, -0.0003224600000000 ] - [ 0.0011671300000000, -0.0015733400000000, -0.0005333000000000 ] - [ 0.0010198100000000, 0.0037306400000000, 0.0043346500000000 ] - [ 0.0005102800000000, 0.0009618700000000, -0.0017327600000000 ] - [ -0.0008095300000000, -0.0002731800000000, -0.0000222000000000 ] - [ -0.0999520800000000, -0.0765335300000000, 0.0372284400000000 ] - [ 0.0063161900000000, -0.0008634100000000, -0.0004615000000000 ] - [ 0.0033041000000000, -0.0042711100000000, -0.0066192500000000 ] - [ 0.0006402400000000, -0.0003006300000000, 0.0003913700000000 ] - [ 0.0039904100000000, 0.0002008200000000, -0.0036906800000000 ] - [ -0.0028485200000000, 0.0009069400000000, 0.0017126500000000 ] - [ -0.0126380600000000, -0.0072413000000000, 0.0047463700000000 ] - [ 0.0034550400000000, -0.0016140600000000, -0.0006464800000000 ] - [ 0.0102626500000000, 0.0063029000000000, -0.0021845400000000 ] - [ -0.0035701600000000, -0.0022121800000000, 0.0049082000000000 ] - [ 0.0017066500000000, -0.0012572200000000, -0.0021751800000000 ] - [ -0.0010442300000000, -0.0009733100000000, -0.0034943800000000 ] - [ -0.0017919000000000, 0.0033966400000000, 0.0034684400000000 ] - [ 0.0020737300000000, 0.0016774400000000, 0.0008605200000000 ] - [ 0.0024119100000000, 0.0018894600000000, -0.0022358300000000 ] - [ -0.0029404800000000, 0.0028916500000000, -0.0003352300000000 ] - [ -0.0007218500000000, 0.0008718000000000, -0.0012080200000000 ] - [ 0.0011942500000000, 0.0013180600000000, -0.0009776400000000 ] - [ 0.0046038100000000, 0.0067371200000000, -0.0092205900000000 ] - [ 0.0000580300000000, -0.0022317100000000, 0.0027504200000000 ] - [ -0.0079659300000000, -0.0017554900000000, 0.0026664200000000 ] - [ 0.0029059500000000, -0.0003694100000000, 0.0001864500000000 ] - [ 0.0020918100000000, -0.0011842100000000, -0.0024694000000000 ] - [ -0.0012411500000000, -0.0000301300000000, -0.0001929900000000 ]- atom: 25 displacement: [ 0.0065595163377495, 0.0000000000000000, -0.0075480292404573 ] forces: - [ 0.0018185800000000, -0.0004399100000000, -0.0021342300000000 ] - [ -0.0014306800000000, -0.0011888500000000, 0.0036027200000000 ] - [ -0.0062311900000000, 0.0018983200000000, 0.0152351300000000 ] - [ 0.0009658000000000, -0.0004598600000000, -0.0003758000000000 ] - [ -0.0001376300000000, -0.0012204300000000, -0.0018656200000000 ] - [ -0.0002958700000000, 0.0004167500000000, -0.0008903500000000 ] - [ -0.0003657500000000, 0.0069212400000000, -0.0136829100000000 ] - [ 0.0009574200000000, -0.0002837600000000, 0.0005318400000000 ] - [ 0.0007827700000000, -0.0041797600000000, -0.0033638800000000 ] - [ 0.0013239700000000, 0.0001470500000000, 0.0016038800000000 ] - [ 0.0009630500000000, 0.0004628000000000, -0.0018996900000000 ] - [ -0.0006189600000000, -0.0002219600000000, 0.0000717300000000 ] - [ 0.0002242700000000, -0.0015359600000000, 0.0017235500000000 ] - [ 0.0006661300000000, 0.0014305400000000, 0.0022370400000000 ] - [ -0.0009751700000000, 0.0022634100000000, -0.0070752100000000 ] - [ 0.0006295500000000, -0.0004696800000000, -0.0009071200000000 ] - [ 0.0006358200000000, -0.0001843000000000, -0.0009220600000000 ] - [ -0.0011026900000000, -0.0005884700000000, -0.0005263600000000 ] - [ -0.0018225200000000, 0.0008267500000000, 0.0055782300000000 ] - [ 0.0007325100000000, -0.0000170300000000, 0.0005639700000000 ] - [ 0.0004729900000000, 0.0011687400000000, -0.0023302200000000 ] - [ -0.0006570800000000, -0.0003239900000000, 0.0002530800000000 ] - [ 0.0000955700000000, -0.0005521300000000, -0.0015012000000000 ] - [ -0.0001135300000000, 0.0005245000000000, -0.0004676200000000 ] - [ -0.1598274400000000, -0.0966203300000000, 0.0664771400000000 ] - [ 0.0030660600000000, 0.0000023300000000, 0.0000533400000000 ] - [ 0.0014765300000000, -0.0001505400000000, -0.0015108200000000 ] - [ -0.0009797700000000, -0.0006068900000000, -0.0000505600000000 ] - [ 0.0015724100000000, 0.0001197300000000, -0.0014682100000000 ] - [ -0.0006152500000000, -0.0006968100000000, 0.0002339800000000 ] - [ 0.0203937100000000, -0.0071458600000000, -0.0038372300000000 ] - [ 0.0061499200000000, 0.0002908600000000, 0.0008147000000000 ] - [ 0.0015019600000000, -0.0039027400000000, -0.0075977400000000 ] - [ 0.0013992100000000, -0.0005999000000000, -0.0002541100000000 ] - [ 0.0019723100000000, -0.0011132800000000, -0.0008382700000000 ] - [ -0.0019935800000000, 0.0000640200000000, -0.0002343000000000 ] - [ -0.0015207400000000, -0.0092801500000000, -0.0106347700000000 ] - [ 0.0016001700000000, 0.0007861000000000, 0.0000796700000000 ] - [ 0.0239360400000000, 0.0114002900000000, -0.0098081600000000 ] - [ 0.0005796600000000, -0.0015433200000000, 0.0018244700000000 ] - [ 0.0013809500000000, 0.0003841700000000, -0.0007639100000000 ] - [ -0.0013762500000000, -0.0004862900000000, -0.0001238800000000 ] - [ 0.0029418700000000, -0.0013637000000000, -0.0010465500000000 ] - [ -0.0044045100000000, 0.0031785900000000, 0.0042770700000000 ] - [ -0.0084749600000000, 0.0001911300000000, 0.0007017800000000 ] - [ 0.0031450900000000, -0.0009729700000000, -0.0008738600000000 ] - [ 0.0003096600000000, 0.0003465700000000, -0.0010871500000000 ] - [ 0.0001343700000000, -0.0008741800000000, -0.0012516700000000 ] - [ -0.0009738800000000, -0.0006492700000000, 0.0005014500000000 ] - [ 0.0006818600000000, -0.0001331500000000, 0.0001957300000000 ] - [ 0.0011384800000000, 0.0035697000000000, 0.0017310900000000 ] - [ 0.0000587500000000, 0.0005024100000000, 0.0007666000000000 ] - [ 0.0006524700000000, -0.0000632200000000, -0.0011058200000000 ] - [ -0.0010325800000000, 0.0002662400000000, -0.0003553300000000 ] - [ 0.0008538000000000, -0.0000415500000000, -0.0000692800000000 ] - [ -0.0008611600000000, -0.0003588100000000, 0.0010795100000000 ] - [ -0.0025962100000000, 0.0018677200000000, 0.0000579900000000 ] - [ 0.0024442300000000, 0.0018542000000000, -0.0008138100000000 ] - [ 0.0004931500000000, 0.0004973500000000, -0.0012728700000000 ] - [ 0.0000115000000000, 0.0002600700000000, -0.0007276900000000 ] - [ -0.0076241000000000, -0.0004003200000000, 0.0056323500000000 ] - [ 0.0021851800000000, 0.0000122800000000, 0.0003055800000000 ] - [ 0.0014325100000000, -0.0011517400000000, -0.0017155900000000 ] - [ 0.0001163200000000, -0.0002736500000000, 0.0009153400000000 ] - [ 0.0014614400000000, -0.0006147000000000, -0.0031784100000000 ] - [ -0.0000717600000000, 0.0001803700000000, 0.0002687700000000 ] - [ 0.0132603500000000, 0.0119780100000000, -0.0033611000000000 ] - [ 0.0032318500000000, -0.0038559100000000, 0.0016865200000000 ] - [ -0.0024841900000000, -0.0012318400000000, 0.0015778300000000 ] - [ 0.0005548700000000, -0.0002111100000000, -0.0001500300000000 ] - [ 0.0010249800000000, 0.0003639300000000, -0.0010431300000000 ] - [ -0.0018185900000000, 0.0001703200000000, -0.0010444500000000 ] - [ 0.0002129400000000, 0.0015409300000000, 0.0003559300000000 ] - [ -0.0000749100000000, 0.0000218900000000, 0.0001138300000000 ] - [ -0.0007470600000000, 0.0003717400000000, -0.0000465400000000 ] - [ 0.0008481900000000, 0.0005898200000000, -0.0005369300000000 ] - [ 0.0009385400000000, 0.0002484300000000, -0.0004790900000000 ] - [ -0.0010011400000000, -0.0000618600000000, -0.0002844600000000 ] - [ -0.0015576100000000, 0.0012476900000000, 0.0008127700000000 ] - [ 0.0014283800000000, -0.0001752400000000, 0.0002487100000000 ] - [ 0.0007334800000000, -0.0000860500000000, -0.0001963800000000 ] - [ -0.0009160600000000, 0.0011472400000000, 0.0006684900000000 ] - [ 0.0001688000000000, 0.0002089000000000, -0.0005124100000000 ] - [ 0.0001032900000000, -0.0001579400000000, 0.0000198000000000 ] - [ 0.0034312400000000, 0.0025947600000000, -0.0011704900000000 ] - [ -0.0011290800000000, -0.0001367000000000, 0.0003172100000000 ] - [ -0.0015337200000000, 0.0008570200000000, 0.0005497700000000 ] - [ 0.0015948600000000, 0.0006666400000000, -0.0000330900000000 ] - [ 0.0004980300000000, 0.0003976300000000, -0.0003121800000000 ] - [ 0.0001363900000000, 0.0003809800000000, -0.0001652000000000 ] - [ -0.0019192200000000, 0.0030128200000000, 0.0003949600000000 ] - [ 0.0008242800000000, -0.0001474700000000, 0.0001461400000000 ] - [ -0.0018763400000000, 0.0008234400000000, 0.0003930000000000 ] - [ 0.0008865100000000, 0.0002722700000000, 0.0001712200000000 ] - [ 0.0007894000000000, -0.0000800900000000, -0.0006846200000000 ] - [ -0.0011081500000000, 0.0006368700000000, -0.0000338000000000 ] - [ 0.0085347500000000, 0.0014776800000000, -0.0091883400000000 ] - [ -0.0087575500000000, 0.0005916200000000, -0.0020919300000000 ] - [ -0.0021731000000000, 0.0009270800000000, 0.0016916600000000 ] - [ 0.0038556600000000, 0.0035630100000000, -0.0012066600000000 ] - [ 0.0010155700000000, 0.0010234400000000, 0.0059603800000000 ] - [ -0.0010240500000000, -0.0002327000000000, 0.0008157800000000 ] - [ -0.0029966100000000, 0.0054977400000000, 0.0037449400000000 ] - [ -0.0006277200000000, -0.0002577600000000, -0.0017386000000000 ] - [ 0.0090678700000000, -0.0028444900000000, -0.0016850900000000 ] - [ -0.0024934800000000, -0.0000482700000000, -0.0001444500000000 ] - [ -0.0013172900000000, 0.0000657300000000, 0.0023064500000000 ] - [ 0.0014641000000000, 0.0001502800000000, 0.0006573800000000 ] - [ 0.0020702400000000, -0.0015784400000000, -0.0018452200000000 ] - [ -0.0017518400000000, -0.0007540800000000, -0.0005673200000000 ] - [ -0.0001379700000000, -0.0019492900000000, 0.0009199900000000 ] - [ -0.0001458100000000, -0.0000793100000000, 0.0001062100000000 ] - [ -0.0010378900000000, -0.0007503000000000, 0.0016069200000000 ] - [ 0.0011931000000000, -0.0003962400000000, -0.0001994300000000 ] - [ 0.0051388800000000, -0.0025513400000000, -0.0002583300000000 ] - [ -0.0030009400000000, 0.0000131200000000, 0.0003114800000000 ] - [ -0.0011664000000000, 0.0016496500000000, 0.0005172400000000 ] - [ -0.0010113300000000, -0.0036692800000000, -0.0043505000000000 ] - [ -0.0005182100000000, -0.0008654000000000, 0.0017385100000000 ] - [ 0.0008046200000000, 0.0003341400000000, 0.0000357300000000 ] - [ 0.1033495800000000, 0.0815489800000000, -0.0372686400000000 ] - [ -0.0062984600000000, 0.0022116500000000, 0.0004845100000000 ] - [ -0.0032927600000000, 0.0055944200000000, 0.0066176500000000 ] - [ -0.0006492400000000, 0.0016677300000000, -0.0004308600000000 ] - [ -0.0039768100000000, 0.0011484000000000, 0.0036350900000000 ] - [ 0.0028369000000000, 0.0004588800000000, -0.0017473400000000 ] - [ 0.0126418700000000, 0.0057988800000000, -0.0048377400000000 ] - [ -0.0034563900000000, 0.0002309800000000, 0.0006438800000000 ] - [ -0.0101996700000000, -0.0076240300000000, 0.0021892600000000 ] - [ 0.0036437900000000, 0.0008362800000000, -0.0049583200000000 ] - [ -0.0017133500000000, -0.0000932400000000, 0.0021959800000000 ] - [ 0.0010388000000000, -0.0003533400000000, 0.0034529500000000 ] - [ 0.0017743200000000, -0.0020338300000000, -0.0034474400000000 ] - [ -0.0020592100000000, -0.0003404500000000, -0.0008341900000000 ] - [ -0.0024203800000000, -0.0005217000000000, 0.0022028500000000 ] - [ 0.0029131900000000, -0.0015603200000000, 0.0003523200000000 ] - [ 0.0007468500000000, 0.0004820800000000, 0.0011780500000000 ] - [ -0.0011806100000000, 0.0000424700000000, 0.0009630700000000 ] - [ -0.0045994100000000, -0.0081310600000000, 0.0091719100000000 ] - [ -0.0000733900000000, 0.0008930100000000, -0.0027212100000000 ] - [ 0.0079874600000000, 0.0004093000000000, -0.0025993000000000 ] - [ -0.0029100100000000, -0.0009854100000000, -0.0001895300000000 ] - [ -0.0020762500000000, -0.0001772000000000, 0.0024412800000000 ] - [ 0.0012335200000000, -0.0013309700000000, 0.0002111900000000 ]- atom: 97 displacement: [ 0.0099999955564931, 0.0000000000000000, -0.0000094270948691 ] forces: - [ -0.0024957100000000, 0.0004695700000000, 0.0004603700000000 ] - [ 0.0112717900000000, -0.0011590600000000, -0.0001411600000000 ] - [ -0.0038061600000000, -0.0033357400000000, -0.0075794400000000 ] - [ -0.0035564200000000, 0.0039480100000000, 0.0082377300000000 ] - [ 0.0004115700000000, 0.0000402100000000, -0.0020388900000000 ] - [ -0.0005647600000000, -0.0000981200000000, 0.0012638500000000 ] - [ -0.0033638300000000, -0.0038455400000000, 0.0082021500000000 ] - [ -0.0035669500000000, 0.0034304700000000, -0.0075966600000000 ] - [ 0.0115268100000000, 0.0012656700000000, -0.0003729000000000 ] - [ -0.0022278000000000, -0.0003091700000000, 0.0003293200000000 ] - [ -0.0003194500000000, 0.0002350000000000, 0.0011631600000000 ] - [ 0.0006706500000000, 0.0001190700000000, -0.0021732200000000 ] - [ -0.0011703700000000, 0.0012350000000000, 0.0001978400000000 ] - [ 0.0018482300000000, -0.0039442500000000, 0.0003228400000000 ] - [ 0.0006119900000000, 0.0002899300000000, -0.0025694700000000 ] - [ -0.0005360600000000, -0.0001240200000000, 0.0011957200000000 ] - [ -0.0004206800000000, -0.0005805800000000, -0.0009051300000000 ] - [ 0.0006428800000000, 0.0009396500000000, 0.0016334600000000 ] - [ 0.0016003900000000, 0.0038129300000000, 0.0004548400000000 ] - [ -0.0014259500000000, -0.0013896300000000, 0.0003221700000000 ] - [ 0.0003592400000000, -0.0011002300000000, 0.0017746300000000 ] - [ -0.0006880400000000, 0.0004443800000000, -0.0007884100000000 ] - [ -0.0007635800000000, -0.0000238400000000, 0.0012861900000000 ] - [ 0.0003733800000000, -0.0004225900000000, -0.0024961500000000 ] - [ 0.0192403300000000, -0.0162144700000000, 0.0044163400000000 ] - [ -0.0108685300000000, -0.0048772400000000, 0.0023133700000000 ] - [ 0.0017823300000000, 0.0007239800000000, 0.0004190700000000 ] - [ -0.0019582000000000, -0.0008465800000000, -0.0001599200000000 ] - [ -0.0023835000000000, -0.0007174400000000, 0.0009825100000000 ] - [ 0.0026047600000000, 0.0002074100000000, -0.0026715000000000 ] - [ -0.0103846600000000, 0.0044457500000000, 0.0023936100000000 ] - [ 0.0175739100000000, 0.0147798300000000, 0.0041636200000000 ] - [ 0.0031275200000000, -0.0006993900000000, -0.0025949100000000 ] - [ -0.0019012500000000, 0.0002399800000000, 0.0010689800000000 ] - [ -0.0014258100000000, 0.0003820900000000, -0.0000652200000000 ] - [ 0.0023217200000000, -0.0011759800000000, 0.0004899200000000 ] - [ -0.0001478600000000, 0.0033551900000000, 0.0037027100000000 ] - [ -0.0036762700000000, -0.0028753100000000, -0.0025576200000000 ] - [ 0.0125525100000000, 0.0015143500000000, -0.0013258700000000 ] - [ -0.0034306900000000, -0.0004285200000000, 0.0001509100000000 ] - [ -0.0006852600000000, -0.0005270200000000, 0.0009792500000000 ] - [ 0.0010835600000000, 0.0009405400000000, -0.0011815300000000 ] - [ -0.0039504500000000, 0.0008887500000000, 0.0000664700000000 ] - [ 0.0120377700000000, -0.0010364000000000, -0.0014080300000000 ] - [ -0.0041704100000000, 0.0033579100000000, -0.0026591800000000 ] - [ -0.0006711900000000, -0.0028409900000000, 0.0035780400000000 ] - [ 0.0005810300000000, -0.0004973500000000, -0.0012537900000000 ] - [ -0.0011948100000000, 0.0009806200000000, 0.0008986600000000 ] - [ -0.0001994100000000, 0.0004921900000000, 0.0010873900000000 ] - [ -0.0006263800000000, -0.0002051500000000, -0.0009136900000000 ] - [ 0.0025407200000000, -0.0010738100000000, -0.0001965800000000 ] - [ -0.0016260300000000, 0.0004133100000000, 0.0002864700000000 ] - [ -0.0006828000000000, 0.0002708600000000, 0.0008353300000000 ] - [ 0.0003429600000000, -0.0001886100000000, -0.0009834300000000 ] - [ -0.0014014200000000, -0.0002677800000000, 0.0002208000000000 ] - [ 0.0027582800000000, 0.0012032800000000, -0.0002621100000000 ] - [ -0.0003504800000000, 0.0003507100000000, -0.0010290100000000 ] - [ 0.0000419600000000, -0.0003500500000000, 0.0009874300000000 ] - [ 0.0006031500000000, 0.0003447200000000, -0.0010751200000000 ] - [ -0.0004237800000000, -0.0001323400000000, 0.0007324500000000 ] - [ 0.0047516200000000, -0.0118926900000000, -0.0086351600000000 ] - [ -0.0054033300000000, 0.0032759500000000, 0.0013519500000000 ] - [ 0.0019825800000000, -0.0006022500000000, 0.0008784000000000 ] - [ -0.0011070700000000, -0.0000582300000000, -0.0013043700000000 ] - [ -0.0015415400000000, 0.0001259000000000, 0.0022915400000000 ] - [ 0.0021430100000000, -0.0024810400000000, -0.0051187300000000 ] - [ -0.0056820800000000, -0.0034549500000000, 0.0014630900000000 ] - [ 0.0039084300000000, 0.0120862200000000, -0.0085638500000000 ] - [ 0.0018958400000000, 0.0023421200000000, -0.0050086100000000 ] - [ -0.0018080000000000, -0.0002789100000000, 0.0023879000000000 ] - [ -0.0013339800000000, -0.0000977000000000, -0.0012153600000000 ] - [ 0.0017756500000000, 0.0004617500000000, 0.0009492300000000 ] - [ -0.0026215400000000, -0.0014562900000000, 0.0002215100000000 ] - [ 0.0033130000000000, 0.0033447800000000, 0.0002906700000000 ] - [ 0.0003271800000000, -0.0004172000000000, -0.0011261200000000 ] - [ -0.0011043600000000, -0.0003515000000000, 0.0005975700000000 ] - [ -0.0011540000000000, 0.0000811400000000, -0.0006632000000000 ] - [ 0.0004207600000000, -0.0009483300000000, 0.0007005600000000 ] - [ 0.0038094500000000, -0.0037860500000000, 0.0003881300000000 ] - [ -0.0021297800000000, 0.0010156100000000, 0.0003106700000000 ] - [ 0.0008696300000000, 0.0005024200000000, 0.0008017500000000 ] - [ -0.0006849600000000, -0.0005343600000000, -0.0005636700000000 ] - [ -0.0005905600000000, -0.0000921000000000, 0.0006938800000000 ] - [ 0.0008387300000000, -0.0000319800000000, -0.0010350000000000 ] - [ -0.0034402000000000, -0.0013431400000000, 0.0008268300000000 ] - [ 0.0065581700000000, 0.0032764400000000, -0.0012799500000000 ] - [ -0.0020417800000000, -0.0029843400000000, -0.0006296000000000 ] - [ -0.0008032000000000, 0.0015125000000000, 0.0006941000000000 ] - [ 0.0009086700000000, 0.0003387500000000, -0.0004474600000000 ] - [ -0.0002835200000000, 0.0001564100000000, 0.0002584200000000 ] - [ -0.0012970600000000, -0.0010735000000000, 0.0006048800000000 ] - [ -0.0025808400000000, 0.0034503200000000, -0.0007208800000000 ] - [ 0.0060811100000000, -0.0027928600000000, -0.0013809900000000 ] - [ -0.0039141900000000, 0.0018044600000000, 0.0007151200000000 ] - [ -0.0007899000000000, 0.0002911600000000, 0.0001724300000000 ] - [ 0.0004104800000000, 0.0001012400000000, -0.0005355100000000 ] - [ -0.1467665400000000, 0.0005033700000000, -0.0095759300000000 ] - [ 0.0101401300000000, -0.0000332400000000, 0.0008287800000000 ] - [ 0.0004998400000000, 0.0008924500000000, -0.0056355900000000 ] - [ 0.0017097700000000, -0.0014950500000000, 0.0055980400000000 ] - [ 0.0004836000000000, -0.0009660400000000, -0.0056633200000000 ] - [ 0.0017204400000000, 0.0014206600000000, 0.0055584400000000 ] - [ 0.0038774300000000, -0.0027317600000000, -0.0028980100000000 ] - [ -0.0038011100000000, 0.0121276000000000, 0.0115043500000000 ] - [ -0.0038664200000000, -0.0121361100000000, 0.0115811200000000 ] - [ 0.0038868100000000, 0.0027765400000000, -0.0028849700000000 ] - [ -0.0000008100000000, -0.0004868000000000, -0.0002518900000000 ] - [ -0.0000074200000000, 0.0005592100000000, -0.0002403900000000 ] - [ 0.0010234000000000, 0.0008233300000000, -0.0006527900000000 ] - [ 0.0010288300000000, -0.0008912700000000, -0.0006557500000000 ] - [ -0.0021260700000000, 0.0014223700000000, 0.0012829600000000 ] - [ 0.0016213200000000, -0.0006533900000000, -0.0007179100000000 ] - [ 0.0016208600000000, 0.0005940800000000, -0.0007294800000000 ] - [ -0.0021223500000000, -0.0014854800000000, 0.0012870000000000 ] - [ -0.0053788500000000, 0.0084897200000000, -0.0095007700000000 ] - [ 0.0056256800000000, -0.0022770600000000, 0.0017859300000000 ] - [ -0.0053081500000000, -0.0084269800000000, -0.0094769400000000 ] - [ 0.0056312100000000, 0.0023580400000000, 0.0017921600000000 ] - [ 0.0007911400000000, 0.0000391700000000, -0.0020839400000000 ] - [ -0.0005829700000000, 0.0000289200000000, 0.0040347200000000 ] - [ 0.0501221600000000, 0.0161289400000000, -0.0061226500000000 ] - [ 0.0495543500000000, -0.0145769900000000, -0.0061439700000000 ] - [ -0.0073962800000000, 0.0000516000000000, 0.0028392100000000 ] - [ 0.0040310300000000, 0.0009685400000000, -0.0014673300000000 ] - [ 0.0040479500000000, 0.0004339600000000, -0.0014878900000000 ] - [ -0.0073637000000000, 0.0013695200000000, 0.0029659600000000 ] - [ -0.0030306700000000, -0.0112232200000000, -0.0078225300000000 ] - [ 0.0056097200000000, 0.0022526700000000, 0.0008866100000000 ] - [ -0.0028559600000000, 0.0098434100000000, -0.0078141500000000 ] - [ 0.0056230400000000, -0.0036776400000000, 0.0008968600000000 ] - [ 0.0022526100000000, -0.0007000700000000, -0.0021519500000000 ] - [ -0.0020659900000000, -0.0006926300000000, 0.0035174200000000 ] - [ -0.0095852800000000, 0.0007038900000000, 0.0013753500000000 ] - [ 0.0051069800000000, 0.0006995400000000, -0.0009333400000000 ] - [ 0.0010557100000000, 0.0010268900000000, -0.0019138700000000 ] - [ -0.0000609700000000, 0.0011573300000000, 0.0024086600000000 ] - [ 0.0010555600000000, 0.0003822700000000, -0.0019138900000000 ] - [ -0.0000430700000000, 0.0002393700000000, 0.0023997000000000 ] - [ 0.0076459900000000, 0.0034386500000000, -0.0046863600000000 ] - [ -0.0058141700000000, -0.0133634100000000, 0.0234705200000000 ] - [ -0.0059134400000000, 0.0119706500000000, 0.0235216600000000 ] - [ 0.0076369500000000, -0.0048111700000000, -0.0046732300000000 ] - [ -0.0002094200000000, -0.0010093300000000, 0.0002779300000000 ] - [ -0.0002298400000000, -0.0003889800000000, 0.0002965900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000704400000000, 0.0005292200000000, -0.0001467000000000 ] - [ 0.0009444600000000, 0.0142116700000000, 0.0031464600000000 ] - [ -0.0030123500000000, 0.0038302500000000, 0.0016215600000000 ] - [ 0.0031048700000000, 0.0030915900000000, 0.0005910400000000 ] - [ 0.0007872300000000, -0.0009695000000000, -0.0020249200000000 ] - [ -0.0006918100000000, 0.0007368200000000, 0.0003964200000000 ] - [ -0.0031048700000000, 0.0030915900000000, -0.0005910400000000 ] - [ 0.0030123500000000, 0.0038302500000000, -0.0016215600000000 ] - [ -0.0009444600000000, 0.0142116700000000, -0.0031464600000000 ] - [ -0.0000704400000000, 0.0005292200000000, 0.0001467000000000 ] - [ 0.0006918100000000, 0.0007368200000000, -0.0003964200000000 ] - [ -0.0007872300000000, -0.0009695000000000, 0.0020249200000000 ] - [ 0.0005645400000000, -0.0005526600000000, 0.0001877600000000 ] - [ -0.0013107200000000, -0.0050093600000000, -0.0028833300000000 ] - [ 0.0006453600000000, -0.0007093100000000, 0.0017543400000000 ] - [ -0.0000982700000000, -0.0002997700000000, 0.0003955200000000 ] - [ 0.0002847700000000, -0.0005427800000000, -0.0004936500000000 ] - [ 0.0001776800000000, -0.0028272400000000, -0.0054912300000000 ] - [ 0.0013107200000000, -0.0050093600000000, 0.0028833300000000 ] - [ -0.0005645400000000, -0.0005526600000000, -0.0001877600000000 ] - [ -0.0001776800000000, -0.0028272400000000, 0.0054912300000000 ] - [ -0.0002847700000000, -0.0005427800000000, 0.0004936500000000 ] - [ 0.0000982700000000, -0.0002997700000000, -0.0003955200000000 ] - [ -0.0006453600000000, -0.0007093100000000, -0.0017543400000000 ] - [ -0.0020382100000000, 0.0223773800000000, -0.0036717900000000 ] - [ -0.0002263200000000, 0.0014157300000000, -0.0008614400000000 ] - [ 0.0031362200000000, 0.0045999800000000, 0.0015008200000000 ] - [ -0.0005563100000000, 0.0005324100000000, -0.0000584600000000 ] - [ 0.0006286400000000, 0.0008012800000000, -0.0005949100000000 ] - [ 0.0017100800000000, 0.0054369200000000, -0.0031352000000000 ] - [ 0.0002263200000000, 0.0014157300000000, 0.0008614400000000 ] - [ 0.0020382100000000, 0.0223773800000000, 0.0036717900000000 ] - [ -0.0017100800000000, 0.0054369200000000, 0.0031352000000000 ] - [ -0.0006286400000000, 0.0008012800000000, 0.0005949100000000 ] - [ 0.0005563100000000, 0.0005324100000000, 0.0000584600000000 ] - [ -0.0031362200000000, 0.0045999800000000, -0.0015008200000000 ] - [ 0.0055810600000000, 0.0027558900000000, -0.0025014700000000 ] - [ -0.0016296800000000, 0.0006191400000000, -0.0011737100000000 ] - [ -0.0074581400000000, 0.0075566900000000, -0.0027757900000000 ] - [ 0.0001502200000000, 0.0004992300000000, 0.0000922800000000 ] - [ 0.0004375900000000, 0.0006406900000000, 0.0001856200000000 ] - [ 0.0002799000000000, 0.0011868000000000, -0.0000578500000000 ] - [ -0.0001502200000000, 0.0004992300000000, -0.0000922800000000 ] - [ 0.0074581400000000, 0.0075566900000000, 0.0027757900000000 ] - [ 0.0016296800000000, 0.0006191400000000, 0.0011737100000000 ] - [ -0.0055810600000000, 0.0027558900000000, 0.0025014700000000 ] - [ -0.0002799000000000, 0.0011868000000000, 0.0000578500000000 ] - [ -0.0004375900000000, 0.0006406900000000, -0.0001856200000000 ] - [ 0.0028423200000000, -0.0031763400000000, -0.0012483700000000 ] - [ -0.0011071800000000, -0.0017476900000000, -0.0011287600000000 ] - [ 0.0007347200000000, -0.0054751600000000, -0.0002540300000000 ] - [ -0.0003282700000000, -0.0004293300000000, -0.0000474300000000 ] - [ -0.0004350400000000, -0.0001426200000000, 0.0006833400000000 ] - [ -0.0003934400000000, -0.0004179300000000, -0.0003972800000000 ] - [ 0.0003282700000000, -0.0004293300000000, 0.0000474300000000 ] - [ -0.0007347200000000, -0.0054751600000000, 0.0002540300000000 ] - [ 0.0011071800000000, -0.0017476900000000, 0.0011287600000000 ] - [ -0.0028423200000000, -0.0031763400000000, 0.0012483700000000 ] - [ 0.0003934400000000, -0.0004179300000000, 0.0003972800000000 ] - [ 0.0004350400000000, -0.0001426200000000, -0.0006833400000000 ] - [ -0.0065025200000000, 0.0070610600000000, -0.0063407200000000 ] - [ -0.0007620900000000, 0.0015132600000000, 0.0000757200000000 ] - [ 0.0022720500000000, -0.0004777400000000, -0.0032913600000000 ] - [ -0.0006966000000000, 0.0003260600000000, 0.0005321900000000 ] - [ 0.0000247300000000, -0.0000528400000000, 0.0001223700000000 ] - [ 0.0018008400000000, 0.0016745400000000, 0.0037700800000000 ] - [ 0.0007620900000000, 0.0015132600000000, -0.0000757200000000 ] - [ 0.0065025200000000, 0.0070610600000000, 0.0063407200000000 ] - [ -0.0018008400000000, 0.0016745400000000, -0.0037700800000000 ] - [ -0.0000247300000000, -0.0000528400000000, -0.0001223700000000 ] - [ 0.0006966000000000, 0.0003260600000000, -0.0005321900000000 ] - [ -0.0022720500000000, -0.0004777400000000, 0.0032913600000000 ] - [ -0.0008290600000000, -0.0010159400000000, 0.0003775000000000 ] - [ -0.0017500400000000, -0.0060508200000000, 0.0006725300000000 ] - [ -0.0009765200000000, -0.0021706800000000, -0.0002079100000000 ] - [ -0.0009832100000000, -0.0012274900000000, 0.0002546800000000 ] - [ 0.0000749300000000, -0.0011096400000000, 0.0002448000000000 ] - [ -0.0016911800000000, -0.0032259300000000, 0.0011991300000000 ] - [ 0.0017500400000000, -0.0060508200000000, -0.0006725300000000 ] - [ 0.0008290600000000, -0.0010159400000000, -0.0003775000000000 ] - [ 0.0016911800000000, -0.0032259300000000, -0.0011991300000000 ] - [ -0.0000749300000000, -0.0011096400000000, -0.0002448000000000 ] - [ 0.0009832100000000, -0.0012274900000000, -0.0002546800000000 ] - [ 0.0009765200000000, -0.0021706800000000, 0.0002079100000000 ] - [ 0.0002974400000000, -0.0001451800000000, 0.0001523600000000 ] - [ -0.0017647200000000, -0.0047205600000000, 0.0017651000000000 ] - [ -0.0046337100000000, -0.0040402700000000, 0.0007245900000000 ] - [ 0.0023171100000000, -0.0006360700000000, -0.0003077600000000 ] - [ 0.0007017200000000, -0.0007505100000000, 0.0000488000000000 ] - [ -0.0007974200000000, -0.0006816000000000, 0.0003439800000000 ] - [ -0.0023171100000000, -0.0006360700000000, 0.0003077600000000 ] - [ 0.0046337100000000, -0.0040402700000000, -0.0007245900000000 ] - [ 0.0017647200000000, -0.0047205600000000, -0.0017651000000000 ] - [ -0.0002974400000000, -0.0001451800000000, -0.0001523600000000 ] - [ 0.0007974200000000, -0.0006816000000000, -0.0003439800000000 ] - [ -0.0007017200000000, -0.0007505100000000, -0.0000488000000000 ] - [ 0.0000000000000000, -0.1274462900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009038600000000, 0.0000000000000000 ] - [ -0.0009270900000000, -0.0030133000000000, -0.0014757500000000 ] - [ 0.0014514500000000, -0.0026307400000000, -0.0010563700000000 ] - [ 0.0009270900000000, -0.0030133000000000, 0.0014757500000000 ] - [ -0.0014514500000000, -0.0026307400000000, 0.0010563700000000 ] - [ -0.0027578100000000, 0.0002874500000000, -0.0000054900000000 ] - [ 0.0120656000000000, 0.0065240400000000, 0.0106087100000000 ] - [ -0.0120656000000000, 0.0065240400000000, -0.0106087100000000 ] - [ 0.0027578100000000, 0.0002874500000000, 0.0000054900000000 ] - [ -0.0005225200000000, -0.0015563500000000, -0.0013702400000000 ] - [ 0.0005225200000000, -0.0015563500000000, 0.0013702400000000 ] - [ -0.0008490600000000, 0.0045847400000000, -0.0018543700000000 ] - [ 0.0008490600000000, 0.0045847400000000, 0.0018543700000000 ] - [ -0.0014526900000000, 0.0045270700000000, -0.0001619700000000 ] - [ 0.0006213900000000, 0.0010333300000000, -0.0000025400000000 ] - [ -0.0006213900000000, 0.0010333300000000, 0.0000025400000000 ] - [ 0.0014526900000000, 0.0045270700000000, 0.0001619700000000 ] - [ 0.0084733900000000, 0.0102924300000000, -0.0087177500000000 ] - [ -0.0023153700000000, -0.0002342100000000, 0.0003018400000000 ] - [ -0.0084733900000000, 0.0102924300000000, 0.0087177500000000 ] - [ 0.0023153700000000, -0.0002342100000000, -0.0003018400000000 ] - [ 0.0000000000000000, 0.0004741000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024759100000000, 0.0000000000000000 ] - [ 0.0007809000000000, -0.0216517600000000, -0.0007223200000000 ] - [ -0.0007809000000000, -0.0216517600000000, 0.0007223200000000 ] - [ -0.0022088300000000, -0.0134187700000000, 0.0104796300000000 ] - [ 0.0010073500000000, -0.0008076600000000, -0.0005239600000000 ] - [ -0.0010073500000000, -0.0008076600000000, 0.0005239600000000 ] - [ 0.0022088300000000, -0.0134187700000000, -0.0104796300000000 ] - [ -0.0209582000000000, 0.0176445900000000, 0.0111544400000000 ] - [ 0.0008641300000000, -0.0000573700000000, 0.0006446800000000 ] - [ 0.0209582000000000, 0.0176445900000000, -0.0111544400000000 ] - [ -0.0008641300000000, -0.0000573700000000, -0.0006446800000000 ] - [ 0.0000000000000000, -0.0012580000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025820600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0145930300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024182100000000, 0.0000000000000000 ] - [ 0.0008338100000000, 0.0049628000000000, -0.0020761900000000 ] - [ 0.0006408700000000, 0.0040648900000000, -0.0002919300000000 ] - [ -0.0008338100000000, 0.0049628000000000, 0.0020761900000000 ] - [ -0.0006408700000000, 0.0040648900000000, 0.0002919300000000 ] - [ 0.0014143500000000, -0.0011022000000000, 0.0000349500000000 ] - [ -0.0111932200000000, 0.0131111000000000, -0.0170332600000000 ] - [ 0.0111932200000000, 0.0131111000000000, 0.0170332600000000 ] - [ -0.0014143500000000, -0.0011022000000000, -0.0000349500000000 ] - [ -0.0021795600000000, 0.0007627600000000, 0.0021163700000000 ] - [ 0.0021795600000000, 0.0007627600000000, -0.0021163700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003303900000000, -0.0003321200000000, 0.0003284100000000 ] - [ -0.0012168900000000, -0.0136931600000000, -0.0034580800000000 ] - [ 0.0027770000000000, -0.0036184000000000, -0.0014527300000000 ] - [ -0.0033058500000000, -0.0028761700000000, -0.0004277100000000 ] - [ -0.0010333800000000, 0.0011601000000000, 0.0021986900000000 ] - [ 0.0004563100000000, -0.0005468000000000, -0.0002393900000000 ] - [ 0.0033058500000000, -0.0028761700000000, 0.0004277100000000 ] - [ -0.0027770000000000, -0.0036184000000000, 0.0014527300000000 ] - [ 0.0012168900000000, -0.0136931600000000, 0.0034580800000000 ] - [ 0.0003303900000000, -0.0003321200000000, -0.0003284100000000 ] - [ -0.0004563100000000, -0.0005468000000000, 0.0002393900000000 ] - [ 0.0010333800000000, 0.0011601000000000, -0.0021986900000000 ] - [ -0.0003198200000000, 0.0003560000000000, -0.0003529100000000 ] - [ 0.0015701400000000, 0.0048297700000000, 0.0027130500000000 ] - [ -0.0004339200000000, 0.0005111200000000, -0.0019122500000000 ] - [ 0.0003166300000000, 0.0001076700000000, -0.0005298800000000 ] - [ -0.0000276200000000, 0.0003480100000000, 0.0003236400000000 ] - [ 0.0000860800000000, 0.0026265300000000, 0.0053154800000000 ] - [ -0.0015701400000000, 0.0048297700000000, -0.0027130500000000 ] - [ 0.0003198200000000, 0.0003560000000000, 0.0003529100000000 ] - [ -0.0000860800000000, 0.0026265300000000, -0.0053154800000000 ] - [ 0.0000276200000000, 0.0003480100000000, -0.0003236400000000 ] - [ -0.0003166300000000, 0.0001076700000000, 0.0005298800000000 ] - [ 0.0004339200000000, 0.0005111200000000, 0.0019122500000000 ] - [ 0.0021758300000000, -0.0229797500000000, 0.0036625400000000 ] - [ -0.0002550100000000, -0.0018241300000000, 0.0007774500000000 ] - [ -0.0036298600000000, -0.0050224800000000, -0.0016105000000000 ] - [ 0.0000927600000000, -0.0009239000000000, -0.0000436700000000 ] - [ -0.0010551500000000, -0.0012049400000000, 0.0004883800000000 ] - [ -0.0021202200000000, -0.0058596900000000, 0.0030362700000000 ] - [ 0.0002550100000000, -0.0018241300000000, -0.0007774500000000 ] - [ -0.0021758300000000, -0.0229797500000000, -0.0036625400000000 ] - [ 0.0021202200000000, -0.0058596900000000, -0.0030362700000000 ] - [ 0.0010551500000000, -0.0012049400000000, -0.0004883800000000 ] - [ -0.0000927600000000, -0.0009239000000000, 0.0000436700000000 ] - [ 0.0036298600000000, -0.0050224800000000, 0.0016105000000000 ] - [ -0.0051927100000000, -0.0023859200000000, 0.0026061100000000 ] - [ 0.0020459800000000, -0.0002432200000000, 0.0012738100000000 ] - [ 0.0078806200000000, -0.0079136600000000, 0.0036936300000000 ] - [ 0.0003297400000000, -0.0001138400000000, 0.0000186900000000 ] - [ 0.0000258600000000, -0.0002516200000000, -0.0000930100000000 ] - [ 0.0001752300000000, -0.0008103200000000, 0.0001546700000000 ] - [ -0.0003297400000000, -0.0001138400000000, -0.0000186900000000 ] - [ -0.0078806200000000, -0.0079136600000000, -0.0036936300000000 ] - [ -0.0020459800000000, -0.0002432200000000, -0.0012738100000000 ] - [ 0.0051927100000000, -0.0023859200000000, -0.0026061100000000 ] - [ -0.0001752300000000, -0.0008103200000000, -0.0001546700000000 ] - [ -0.0000258600000000, -0.0002516200000000, 0.0000930100000000 ] - [ -0.0031166300000000, 0.0033823200000000, 0.0014386400000000 ] - [ 0.0008627500000000, 0.0019487200000000, 0.0013222000000000 ] - [ -0.0009509100000000, 0.0056814800000000, 0.0003799900000000 ] - [ 0.0001155600000000, 0.0006236400000000, 0.0001883100000000 ] - [ 0.0002012800000000, 0.0003224200000000, -0.0005186100000000 ] - [ 0.0001437800000000, 0.0006016000000000, 0.0005635500000000 ] - [ -0.0001155600000000, 0.0006236400000000, -0.0001883100000000 ] - [ 0.0009509100000000, 0.0056814800000000, -0.0003799900000000 ] - [ -0.0008627500000000, 0.0019487200000000, -0.0013222000000000 ] - [ 0.0031166300000000, 0.0033823200000000, -0.0014386400000000 ] - [ -0.0001437800000000, 0.0006016000000000, -0.0005635500000000 ] - [ -0.0002012800000000, 0.0003224200000000, 0.0005186100000000 ] - [ 0.0071797100000000, -0.0067017300000000, 0.0061667900000000 ] - [ 0.0010092800000000, -0.0016890200000000, -0.0002495000000000 ] - [ -0.0020723400000000, 0.0002891400000000, 0.0031646800000000 ] - [ 0.0009160600000000, -0.0005246400000000, -0.0006843100000000 ] - [ 0.0002303600000000, -0.0001433800000000, -0.0003027300000000 ] - [ -0.0015641400000000, -0.0018566400000000, -0.0039466500000000 ] - [ -0.0010092800000000, -0.0016890200000000, 0.0002495000000000 ] - [ -0.0071797100000000, -0.0067017300000000, -0.0061667900000000 ] - [ 0.0015641400000000, -0.0018566400000000, 0.0039466500000000 ] - [ -0.0002303600000000, -0.0001433800000000, 0.0003027300000000 ] - [ -0.0009160600000000, -0.0005246400000000, 0.0006843100000000 ] - [ 0.0020723400000000, 0.0002891400000000, -0.0031646800000000 ] - [ 0.0003700600000000, 0.0006433600000000, -0.0004844500000000 ] - [ 0.0012943800000000, 0.0056488800000000, -0.0007667100000000 ] - [ 0.0005037000000000, 0.0017855400000000, 0.0001019300000000 ] - [ 0.0005247600000000, 0.0008382900000000, -0.0003535200000000 ] - [ -0.0004919900000000, 0.0007191800000000, -0.0003653500000000 ] - [ 0.0012624500000000, 0.0028355600000000, -0.0013099700000000 ] - [ -0.0012943800000000, 0.0056488800000000, 0.0007667100000000 ] - [ -0.0003700600000000, 0.0006433600000000, 0.0004844500000000 ] - [ -0.0012624500000000, 0.0028355600000000, 0.0013099700000000 ] - [ 0.0004919900000000, 0.0007191800000000, 0.0003653500000000 ] - [ -0.0005247600000000, 0.0008382900000000, 0.0003535200000000 ] - [ -0.0005037000000000, 0.0017855400000000, -0.0001019300000000 ] - [ 0.0001135800000000, 0.0005505400000000, -0.0000391500000000 ] - [ 0.0021810800000000, 0.0051404700000000, -0.0016415700000000 ] - [ 0.0050842700000000, 0.0044410400000000, -0.0006217100000000 ] - [ -0.0018296200000000, 0.0010454900000000, 0.0003969100000000 ] - [ -0.0002342900000000, 0.0011562300000000, 0.0000371500000000 ] - [ 0.0012706500000000, 0.0010772200000000, -0.0002474900000000 ] - [ 0.0018296200000000, 0.0010454900000000, -0.0003969100000000 ] - [ -0.0050842700000000, 0.0044410400000000, 0.0006217100000000 ] - [ -0.0021810800000000, 0.0051404700000000, 0.0016415700000000 ] - [ -0.0001135800000000, 0.0005505400000000, 0.0000391500000000 ] - [ -0.0012706500000000, 0.0010772200000000, 0.0002474900000000 ] - [ 0.0002342900000000, 0.0011562300000000, -0.0000371500000000 ] - [ 0.0000000000000000, 0.1277882500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008434900000000, 0.0000000000000000 ] - [ 0.0009254900000000, 0.0029774000000000, 0.0014754700000000 ] - [ -0.0014606600000000, 0.0025758200000000, 0.0010467800000000 ] - [ -0.0009254900000000, 0.0029774000000000, -0.0014754700000000 ] - [ 0.0014606600000000, 0.0025758200000000, -0.0010467800000000 ] - [ 0.0027631900000000, -0.0002313900000000, 0.0000206800000000 ] - [ -0.0122047200000000, -0.0064737200000000, -0.0106790100000000 ] - [ 0.0122047200000000, -0.0064737200000000, 0.0106790100000000 ] - [ -0.0027631900000000, -0.0002313900000000, -0.0000206800000000 ] - [ 0.0005248100000000, 0.0016256100000000, 0.0013851400000000 ] - [ -0.0005248100000000, 0.0016256100000000, -0.0013851400000000 ] - [ 0.0008797400000000, -0.0046547200000000, 0.0018579800000000 ] - [ -0.0008797400000000, -0.0046547200000000, -0.0018579800000000 ] - [ 0.0014525900000000, -0.0045819900000000, 0.0001860700000000 ] - [ -0.0006278100000000, -0.0010824100000000, -0.0000054900000000 ] - [ 0.0006278100000000, -0.0010824100000000, 0.0000054900000000 ] - [ -0.0014525900000000, -0.0045819900000000, -0.0001860700000000 ] - [ -0.0084155300000000, -0.0102136100000000, 0.0086211200000000 ] - [ 0.0023152200000000, 0.0002790300000000, -0.0002877000000000 ] - [ 0.0084155300000000, -0.0102136100000000, -0.0086211200000000 ] - [ -0.0023152200000000, 0.0002790300000000, 0.0002877000000000 ] - [ 0.0000000000000000, -0.0004287400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024275600000000, 0.0000000000000000 ] - [ -0.0009372500000000, 0.0228884400000000, 0.0007506000000000 ] - [ 0.0009372500000000, 0.0228884400000000, -0.0007506000000000 ] - [ 0.0022151700000000, 0.0148936500000000, -0.0105657700000000 ] - [ -0.0010270300000000, 0.0022021200000000, 0.0005302600000000 ] - [ 0.0010270300000000, 0.0022021200000000, -0.0005302600000000 ] - [ -0.0022151700000000, 0.0148936500000000, 0.0105657700000000 ] - [ 0.0211239100000000, -0.0191171500000000, -0.0112319900000000 ] - [ -0.0008694500000000, -0.0013264900000000, -0.0006326300000000 ] - [ -0.0211239100000000, -0.0191171500000000, 0.0112319900000000 ] - [ 0.0008694500000000, -0.0013264900000000, 0.0006326300000000 ] - [ 0.0000000000000000, -0.0001270500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012059200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0132161000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010207700000000, 0.0000000000000000 ] - [ -0.0008571900000000, -0.0035720700000000, 0.0020975800000000 ] - [ -0.0006461200000000, -0.0026700100000000, 0.0003099300000000 ] - [ 0.0008571900000000, -0.0035720700000000, -0.0020975800000000 ] - [ 0.0006461200000000, -0.0026700100000000, -0.0003099300000000 ] - [ -0.0014133200000000, -0.0003175900000000, -0.0000148900000000 ] - [ 0.0111192900000000, -0.0144966800000000, 0.0168994800000000 ] - [ -0.0111192900000000, -0.0144966800000000, -0.0168994800000000 ] - [ 0.0014133200000000, -0.0003175900000000, 0.0000148900000000 ] - [ 0.0021794100000000, -0.0021677600000000, -0.0021274500000000 ] - [ -0.0021794100000000, -0.0021677600000000, 0.0021274500000000 ]- atom: 97 displacement: [ -0.0065595163377495, 0.0000000000000000, 0.0075480292404573 ] forces: - [ 0.0015696200000000, -0.0003516700000000, -0.0002479900000000 ] - [ -0.0101065900000000, -0.0043719700000000, 0.0110091700000000 ] - [ 0.0010069000000000, 0.0025876000000000, 0.0057809300000000 ] - [ 0.0042281800000000, -0.0028575900000000, -0.0024529900000000 ] - [ -0.0010879400000000, -0.0026690100000000, -0.0043382100000000 ] - [ 0.0009990000000000, -0.0000024900000000, -0.0021940700000000 ] - [ 0.0042747800000000, 0.0030320300000000, -0.0027776600000000 ] - [ 0.0010855900000000, -0.0023960500000000, 0.0054538600000000 ] - [ -0.0099629000000000, 0.0050489300000000, 0.0116008200000000 ] - [ 0.0017059200000000, 0.0005541700000000, -0.0006000200000000 ] - [ 0.0011150600000000, 0.0001944200000000, -0.0025205900000000 ] - [ -0.0009597600000000, 0.0028264300000000, -0.0046516000000000 ] - [ 0.0010570800000000, -0.0008222300000000, 0.0004832300000000 ] - [ -0.0007067200000000, 0.0038791300000000, 0.0053434900000000 ] - [ -0.0011177700000000, 0.0001962100000000, -0.0001379400000000 ] - [ 0.0011798200000000, -0.0003598400000000, -0.0018219700000000 ] - [ 0.0002356000000000, 0.0004111000000000, -0.0005438000000000 ] - [ 0.0000521500000000, -0.0025944900000000, -0.0043350200000000 ] - [ -0.0008345400000000, -0.0040612200000000, 0.0056567000000000 ] - [ 0.0009407500000000, 0.0006375800000000, 0.0008078200000000 ] - [ -0.0001039700000000, 0.0024098500000000, -0.0039954000000000 ] - [ 0.0001024500000000, -0.0005920000000000, -0.0001810800000000 ] - [ 0.0010904200000000, 0.0001582100000000, -0.0014970200000000 ] - [ -0.0012187500000000, -0.0003669500000000, 0.0001546300000000 ] - [ -0.0123656400000000, 0.0070722700000000, 0.0060997000000000 ] - [ 0.0055076500000000, 0.0019224500000000, -0.0004536700000000 ] - [ 0.0016617200000000, 0.0008924400000000, -0.0033766700000000 ] - [ 0.0007227500000000, 0.0004906100000000, -0.0008075600000000 ] - [ 0.0026090700000000, 0.0004524400000000, -0.0010805400000000 ] - [ -0.0063854600000000, -0.0025555000000000, -0.0007416200000000 ] - [ 0.0061198900000000, -0.0023981500000000, -0.0004687400000000 ] - [ -0.0123173900000000, -0.0077471600000000, 0.0059867000000000 ] - [ -0.0058410900000000, 0.0021041900000000, -0.0007334700000000 ] - [ 0.0031769000000000, -0.0009327100000000, -0.0010728200000000 ] - [ 0.0013465600000000, -0.0009691100000000, -0.0008073200000000 ] - [ 0.0022774200000000, -0.0013639900000000, -0.0033652800000000 ] - [ 0.0051723000000000, -0.0003721200000000, -0.0020984300000000 ] - [ 0.0009692500000000, 0.0020262400000000, 0.0017977000000000 ] - [ -0.0012951100000000, 0.0038922500000000, 0.0087226700000000 ] - [ 0.0027374900000000, 0.0004475300000000, 0.0000899100000000 ] - [ 0.0024845400000000, 0.0014474400000000, -0.0015735700000000 ] - [ -0.0017054600000000, -0.0006761700000000, -0.0011187800000000 ] - [ 0.0021115400000000, 0.0000387200000000, 0.0000695000000000 ] - [ -0.0018280600000000, -0.0039167900000000, 0.0081979700000000 ] - [ 0.0004058700000000, -0.0015383900000000, 0.0017901000000000 ] - [ 0.0046166700000000, 0.0008693900000000, -0.0021187100000000 ] - [ -0.0023022700000000, 0.0011353100000000, -0.0011237600000000 ] - [ 0.0018486300000000, -0.0009657700000000, -0.0015705800000000 ] - [ 0.0023244200000000, -0.0022921600000000, -0.0005479500000000 ] - [ -0.0003507400000000, -0.0002221500000000, 0.0009813100000000 ] - [ -0.0031246000000000, 0.0047882900000000, 0.0027522800000000 ] - [ 0.0010999600000000, 0.0001642200000000, 0.0002179400000000 ] - [ 0.0010415300000000, -0.0002747800000000, -0.0015422000000000 ] - [ -0.0009842300000000, 0.0001304100000000, -0.0006940500000000 ] - [ 0.0011922400000000, 0.0000289200000000, -0.0001075000000000 ] - [ -0.0030133100000000, -0.0046015500000000, 0.0024724900000000 ] - [ -0.0002180800000000, 0.0003991500000000, 0.0006145200000000 ] - [ 0.0024716700000000, 0.0024760400000000, -0.0008829800000000 ] - [ -0.0008612400000000, 0.0000605600000000, -0.0010201200000000 ] - [ 0.0011560400000000, 0.0004580600000000, -0.0018822500000000 ] - [ -0.0036550500000000, 0.0065375500000000, 0.0152688500000000 ] - [ 0.0031282500000000, -0.0016945900000000, 0.0000174600000000 ] - [ 0.0016938400000000, -0.0020392700000000, -0.0047219500000000 ] - [ 0.0009084700000000, -0.0007265800000000, -0.0011784300000000 ] - [ 0.0019170900000000, -0.0000409300000000, -0.0019718000000000 ] - [ -0.0047633300000000, 0.0033637800000000, 0.0006219800000000 ] - [ 0.0030014200000000, 0.0015214700000000, 0.0003439800000000 ] - [ -0.0040086800000000, -0.0065742100000000, 0.0156323000000000 ] - [ -0.0049023200000000, -0.0035725100000000, 0.0009550800000000 ] - [ 0.0017756500000000, -0.0001449800000000, -0.0016317100000000 ] - [ 0.0008039000000000, 0.0005414100000000, -0.0008524200000000 ] - [ 0.0015891000000000, 0.0018449800000000, -0.0044091600000000 ] - [ 0.0010815000000000, 0.0003662300000000, 0.0002499100000000 ] - [ -0.0029033800000000, -0.0026229300000000, 0.0013970000000000 ] - [ -0.0017410900000000, -0.0004054300000000, -0.0000239200000000 ] - [ 0.0015151000000000, 0.0005199500000000, -0.0009198100000000 ] - [ -0.0000841700000000, -0.0006010900000000, -0.0000559500000000 ] - [ -0.0000384100000000, 0.0004934300000000, -0.0008359700000000 ] - [ -0.0022715400000000, 0.0021667400000000, 0.0013979200000000 ] - [ 0.0017022300000000, -0.0008559700000000, 0.0002518000000000 ] - [ 0.0005338700000000, -0.0009582400000000, -0.0008173800000000 ] - [ 0.0004874700000000, 0.0001145000000000, -0.0000459300000000 ] - [ 0.0021441700000000, -0.0010111400000000, -0.0009222200000000 ] - [ -0.0011286000000000, -0.0000590300000000, -0.0000056800000000 ] - [ 0.0029575500000000, 0.0014594100000000, -0.0005884100000000 ] - [ -0.0044969500000000, 0.0014230800000000, 0.0005716800000000 ] - [ -0.0014528700000000, -0.0002295900000000, 0.0019276500000000 ] - [ 0.0022710300000000, -0.0005656100000000, 0.0001749800000000 ] - [ -0.0008214300000000, -0.0004781600000000, -0.0003078300000000 ] - [ 0.0018114900000000, 0.0009653600000000, -0.0008967700000000 ] - [ 0.0016610400000000, 0.0010279100000000, 0.0001864600000000 ] - [ -0.0020765800000000, 0.0007089000000000, 0.0019267800000000 ] - [ -0.0050588800000000, -0.0009502200000000, 0.0005679600000000 ] - [ 0.0023944100000000, -0.0010014600000000, -0.0006000200000000 ] - [ 0.0011901000000000, -0.0004995300000000, -0.0008891100000000 ] - [ -0.0014190000000000, 0.0009513400000000, -0.0002951100000000 ] - [ 0.0889421500000000, 0.0000428300000000, -0.0921033300000000 ] - [ -0.0060324500000000, -0.0000276700000000, -0.0008300900000000 ] - [ -0.0045977500000000, 0.0004779700000000, 0.0054279900000000 ] - [ 0.0030828500000000, 0.0017307000000000, -0.0002531700000000 ] - [ -0.0045729600000000, -0.0005293000000000, 0.0054116100000000 ] - [ 0.0030865000000000, -0.0017740000000000, -0.0002326000000000 ] - [ -0.0047255300000000, 0.0018196500000000, 0.0009882000000000 ] - [ 0.0112217100000000, 0.0001111000000000, -0.0079961600000000 ] - [ 0.0112208000000000, -0.0000248200000000, -0.0080361500000000 ] - [ -0.0047294100000000, -0.0017530200000000, 0.0009821500000000 ] - [ -0.0001942400000000, -0.0006626900000000, 0.0036439400000000 ] - [ -0.0001892000000000, 0.0007129600000000, 0.0036405900000000 ] - [ -0.0011729300000000, 0.0008031000000000, -0.0018489700000000 ] - [ -0.0011569100000000, -0.0008788000000000, -0.0018532400000000 ] - [ 0.0023501400000000, -0.0008474700000000, 0.0007844700000000 ] - [ -0.0016088300000000, 0.0003795100000000, 0.0014191000000000 ] - [ -0.0016078500000000, -0.0004354000000000, 0.0014163700000000 ] - [ 0.0023645000000000, 0.0007949500000000, 0.0007821600000000 ] - [ -0.0036389400000000, -0.0120304500000000, 0.0034159200000000 ] - [ -0.0023376700000000, 0.0017661500000000, -0.0007463000000000 ] - [ -0.0036639700000000, 0.0121442800000000, 0.0033954700000000 ] - [ -0.0023440700000000, -0.0017337700000000, -0.0007600900000000 ] - [ -0.0020873400000000, 0.0000351800000000, 0.0023421400000000 ] - [ 0.0034378000000000, 0.0000244300000000, 0.0010862700000000 ] - [ -0.0288417100000000, -0.0081367400000000, -0.0036624700000000 ] - [ -0.0289654200000000, 0.0095217900000000, -0.0038075900000000 ] - [ 0.0053374200000000, -0.0008447400000000, 0.0242917900000000 ] - [ -0.0041489300000000, 0.0011149000000000, 0.0025919900000000 ] - [ -0.0041435200000000, 0.0002853700000000, 0.0026024700000000 ] - [ 0.0053000900000000, 0.0022805700000000, 0.0241946300000000 ] - [ -0.0142079800000000, 0.0205037100000000, 0.0057728800000000 ] - [ -0.0025428800000000, -0.0017941100000000, -0.0008086800000000 ] - [ -0.0142182100000000, -0.0219762300000000, 0.0057635000000000 ] - [ -0.0025332200000000, 0.0004099400000000, -0.0008136000000000 ] - [ -0.0043028800000000, -0.0006966100000000, 0.0034541400000000 ] - [ 0.0037414300000000, -0.0006922100000000, 0.0020966000000000 ] - [ 0.0086286800000000, 0.0006872300000000, -0.0085050400000000 ] - [ -0.0032277600000000, 0.0006880300000000, -0.0002349900000000 ] - [ -0.0035356400000000, -0.0005666800000000, 0.0033358600000000 ] - [ 0.0014934500000000, 0.0007307500000000, -0.0000121700000000 ] - [ -0.0035265300000000, 0.0019607600000000, 0.0033358000000000 ] - [ 0.0014964300000000, 0.0006645000000000, -0.0000054700000000 ] - [ -0.0064471600000000, -0.0032241300000000, 0.0023620400000000 ] - [ 0.0171464300000000, -0.0041373800000000, -0.0183732900000000 ] - [ 0.0171732700000000, 0.0026907800000000, -0.0184914900000000 ] - [ -0.0064592200000000, 0.0018323500000000, 0.0023490800000000 ] - [ -0.0015119300000000, 0.0015174400000000, 0.0041834500000000 ] - [ -0.0015018100000000, -0.0028998700000000, 0.0041825400000000 ]- atom: 121 displacement: [ 0.0099999955564931, 0.0000000000000000, -0.0000094270948691 ] forces: - [ -0.0057701100000000, 0.0001639600000000, 0.0102098300000000 ] - [ -0.0037853900000000, 0.0013711800000000, -0.0081351300000000 ] - [ 0.0315669100000000, 0.0052052400000000, 0.0163181800000000 ] - [ -0.0028349600000000, 0.0002590300000000, 0.0002922600000000 ] - [ -0.0017249700000000, 0.0017144700000000, 0.0038937900000000 ] - [ 0.0011846600000000, -0.0008087300000000, -0.0009817700000000 ] - [ 0.0318580400000000, -0.0054595000000000, 0.0162582500000000 ] - [ -0.0026654700000000, -0.0000660600000000, 0.0001129000000000 ] - [ -0.0055349900000000, 0.0000321300000000, 0.0099239800000000 ] - [ -0.0036007400000000, -0.0011922900000000, -0.0084047400000000 ] - [ -0.0015176700000000, -0.0015233500000000, 0.0036870100000000 ] - [ 0.0013792200000000, 0.0010116300000000, -0.0011639400000000 ] - [ -0.0000311600000000, 0.0076796000000000, -0.0028624000000000 ] - [ -0.0018688900000000, -0.0005424800000000, -0.0008261600000000 ] - [ 0.0014057900000000, -0.0017417200000000, 0.0040470600000000 ] - [ -0.0007453400000000, 0.0006857600000000, -0.0000520500000000 ] - [ -0.0011461800000000, 0.0007876800000000, 0.0022973300000000 ] - [ 0.0012647700000000, -0.0016350000000000, -0.0031501200000000 ] - [ -0.0002408200000000, -0.0078978300000000, -0.0026761300000000 ] - [ -0.0020655600000000, 0.0003558300000000, -0.0006286000000000 ] - [ -0.0013628900000000, -0.0009785400000000, 0.0024983600000000 ] - [ 0.0010551400000000, 0.0014221500000000, -0.0029082600000000 ] - [ 0.0012374800000000, 0.0015410000000000, 0.0042075300000000 ] - [ -0.0009193200000000, -0.0008849000000000, 0.0001448600000000 ] - [ 0.1265395300000000, 0.0904761500000000, -0.0216846100000000 ] - [ -0.0099815900000000, -0.0005461000000000, -0.0001530600000000 ] - [ -0.0039738800000000, -0.0017535000000000, 0.0019744800000000 ] - [ 0.0023762800000000, 0.0004596200000000, -0.0015814000000000 ] - [ 0.0001010100000000, -0.0007729300000000, 0.0045603500000000 ] - [ -0.0019713500000000, -0.0003458800000000, -0.0007440200000000 ] - [ 0.1321642000000000, -0.0964069100000000, -0.0230192800000000 ] - [ -0.0095193000000000, 0.0001741500000000, -0.0000719200000000 ] - [ 0.0004420400000000, 0.0004131900000000, 0.0046703500000000 ] - [ -0.0015728000000000, -0.0000371100000000, -0.0006455200000000 ] - [ -0.0035479600000000, 0.0013876000000000, 0.0020724400000000 ] - [ 0.0027746000000000, -0.0008229300000000, -0.0014818200000000 ] - [ 0.0150769000000000, 0.0001628500000000, -0.0037631900000000 ] - [ -0.0043022400000000, -0.0011966900000000, 0.0007078100000000 ] - [ -0.0097797500000000, -0.0062865600000000, 0.0049020300000000 ] - [ -0.0027801800000000, 0.0071337700000000, -0.0073899200000000 ] - [ -0.0010426300000000, 0.0004651300000000, 0.0012041600000000 ] - [ 0.0016025700000000, -0.0001221700000000, -0.0001017500000000 ] - [ -0.0102291800000000, 0.0066998700000000, 0.0048377700000000 ] - [ -0.0032586400000000, -0.0067025700000000, -0.0074678600000000 ] - [ 0.0147032900000000, 0.0001922600000000, -0.0038810400000000 ] - [ -0.0047109000000000, 0.0015979500000000, 0.0006159800000000 ] - [ -0.0014866000000000, -0.0000826900000000, 0.0011245100000000 ] - [ 0.0012116600000000, 0.0004552200000000, -0.0002207500000000 ] - [ 0.0041040100000000, -0.0008991100000000, -0.0005171300000000 ] - [ -0.0027316300000000, 0.0010646900000000, 0.0005830300000000 ] - [ -0.0015954000000000, -0.0007718400000000, 0.0006768800000000 ] - [ -0.0008838300000000, 0.0005632100000000, -0.0015904900000000 ] - [ -0.0009049500000000, 0.0002609600000000, 0.0018887000000000 ] - [ 0.0008321700000000, 0.0001311500000000, -0.0005308800000000 ] - [ -0.0014130700000000, 0.0009691300000000, 0.0004845300000000 ] - [ -0.0007214300000000, -0.0003836100000000, -0.0017394000000000 ] - [ 0.0043179600000000, 0.0010851500000000, -0.0007229000000000 ] - [ -0.0025158900000000, -0.0008704500000000, 0.0003774800000000 ] - [ -0.0007142300000000, -0.0000675000000000, 0.0016861600000000 ] - [ 0.0010329100000000, 0.0000606400000000, -0.0007341100000000 ] - [ -0.0003109800000000, 0.0210948500000000, 0.0163868400000000 ] - [ -0.0058856600000000, -0.0019306100000000, -0.0017013600000000 ] - [ -0.0027087500000000, 0.0011840900000000, 0.0033612100000000 ] - [ 0.0026159400000000, 0.0001392100000000, -0.0017612000000000 ] - [ 0.0022300900000000, 0.0045522100000000, 0.0056499900000000 ] - [ -0.0011621500000000, -0.0002517800000000, -0.0008186200000000 ] - [ 0.0003278400000000, -0.0209621900000000, 0.0166271000000000 ] - [ -0.0060655900000000, 0.0017332800000000, -0.0015017100000000 ] - [ 0.0019626800000000, -0.0047133700000000, 0.0058918600000000 ] - [ -0.0013733400000000, 0.0000509400000000, -0.0006091600000000 ] - [ -0.0028773900000000, -0.0013818000000000, 0.0035458000000000 ] - [ 0.0024170400000000, -0.0003176100000000, -0.0016078700000000 ] - [ 0.0006319300000000, -0.0044767300000000, -0.0016668000000000 ] - [ -0.0034709200000000, -0.0005570000000000, -0.0001116800000000 ] - [ 0.0017129700000000, 0.0013713100000000, 0.0006509600000000 ] - [ -0.0016248800000000, -0.0012083700000000, 0.0002958600000000 ] - [ -0.0026747100000000, -0.0011121800000000, 0.0010145200000000 ] - [ 0.0027341600000000, 0.0016674000000000, -0.0013727500000000 ] - [ 0.0010697900000000, 0.0040683900000000, -0.0015784400000000 ] - [ -0.0030202300000000, 0.0001603600000000, -0.0000351900000000 ] - [ -0.0022759200000000, 0.0007123700000000, 0.0011109700000000 ] - [ 0.0031311700000000, -0.0020728400000000, -0.0012853600000000 ] - [ 0.0021455200000000, -0.0017490700000000, 0.0007474600000000 ] - [ -0.0012050500000000, 0.0008355000000000, 0.0003978800000000 ] - [ -0.0043108900000000, -0.0040120900000000, 0.0022163400000000 ] - [ -0.0010454600000000, 0.0008175300000000, -0.0009242000000000 ] - [ 0.0112392900000000, 0.0053425500000000, -0.0009440900000000 ] - [ -0.0038762400000000, -0.0011007800000000, 0.0003377800000000 ] - [ -0.0015825100000000, -0.0003705400000000, 0.0012605100000000 ] - [ 0.0016268200000000, 0.0005539600000000, -0.0003529300000000 ] - [ 0.0108383400000000, -0.0049597900000000, -0.0010281700000000 ] - [ -0.0043094500000000, 0.0014696200000000, 0.0002468300000000 ] - [ -0.0047372200000000, 0.0044127700000000, 0.0021422000000000 ] - [ -0.0014131100000000, -0.0004579100000000, -0.0010290400000000 ] - [ -0.0020051200000000, 0.0007361500000000, 0.0011760600000000 ] - [ 0.0011857700000000, -0.0001776400000000, -0.0004350400000000 ] - [ 0.0495736400000000, 0.0007468300000000, 0.0050343400000000 ] - [ 0.0501257500000000, -0.0009680300000000, 0.0050263800000000 ] - [ 0.0040367800000000, -0.0010664900000000, -0.0019861500000000 ] - [ -0.0073756700000000, 0.0022154500000000, 0.0005461800000000 ] - [ -0.0073734800000000, -0.0022262300000000, 0.0006657100000000 ] - [ 0.0040415800000000, 0.0009686300000000, -0.0020063500000000 ] - [ -0.0029675900000000, -0.0210253600000000, -0.0214127500000000 ] - [ 0.0056213100000000, 0.0009194300000000, 0.0015195300000000 ] - [ -0.0029378600000000, 0.0210887700000000, -0.0214106200000000 ] - [ 0.0056203400000000, -0.0008341600000000, 0.0015353500000000 ] - [ 0.0022558900000000, 0.0000543400000000, -0.0037588600000000 ] - [ -0.0020559900000000, 0.0000570800000000, 0.0031496700000000 ] - [ -0.0095946400000000, -0.0000371700000000, 0.0031139600000000 ] - [ 0.0050996200000000, -0.0000488100000000, 0.0001705000000000 ] - [ 0.0010572700000000, -0.0008878800000000, -0.0037670100000000 ] - [ -0.0000537800000000, -0.0006871000000000, 0.0019381800000000 ] - [ 0.0010528100000000, 0.0007912600000000, -0.0037704700000000 ] - [ -0.0000453900000000, 0.0005959300000000, 0.0019336000000000 ] - [ -0.0058245000000000, -0.0110860700000000, 0.0176005500000000 ] - [ 0.0076416100000000, 0.0014670500000000, -0.0019168400000000 ] - [ 0.0076444200000000, -0.0013619500000000, -0.0019082300000000 ] - [ -0.0059159100000000, 0.0111950000000000, 0.0177224200000000 ] - [ -0.0002256600000000, 0.0022270900000000, -0.0021766100000000 ] - [ -0.0002189900000000, -0.0021333200000000, -0.0021846300000000 ] - [ -0.3897245100000000, 0.0063718800000000, 0.0333859500000000 ] - [ 0.0139346000000000, 0.0006581600000000, -0.0023152800000000 ] - [ 0.0064026000000000, 0.0014880200000000, -0.0114539300000000 ] - [ -0.0010276300000000, -0.0000971800000000, 0.0071965800000000 ] - [ 0.0063920800000000, -0.0001982600000000, -0.0115116300000000 ] - [ -0.0009918400000000, 0.0013915900000000, 0.0071351700000000 ] - [ -0.0068607700000000, 0.0129984100000000, 0.0183532000000000 ] - [ 0.0103692300000000, -0.0046838000000000, -0.0032530100000000 ] - [ 0.0103752300000000, 0.0033480600000000, -0.0032472700000000 ] - [ -0.0069021100000000, -0.0143016900000000, 0.0182926000000000 ] - [ -0.0000895100000000, -0.0011933900000000, -0.0021840100000000 ] - [ -0.0000570600000000, -0.0000947100000000, -0.0022057200000000 ] - [ 0.0049704900000000, 0.0003654800000000, 0.0007662400000000 ] - [ 0.0049615900000000, 0.0009671000000000, 0.0007922900000000 ] - [ 0.0042427000000000, 0.0009197200000000, -0.0022687900000000 ] - [ -0.0060169100000000, -0.0007643600000000, 0.0006859600000000 ] - [ -0.0059978600000000, 0.0020849200000000, 0.0006743800000000 ] - [ 0.0042599600000000, 0.0003904000000000, -0.0022770500000000 ] - [ -0.0070168900000000, 0.0209086400000000, -0.0414040300000000 ] - [ 0.0070149300000000, -0.0032211700000000, 0.0021673900000000 ] - [ -0.0067809200000000, -0.0221975800000000, -0.0411828600000000 ] - [ 0.0070269600000000, 0.0019407400000000, 0.0021712900000000 ] - [ 0.0053632700000000, -0.0006538600000000, -0.0054647900000000 ] - [ -0.0037422400000000, -0.0006650000000000, 0.0027652400000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043809000000000, 0.0060292600000000, 0.0034813200000000 ] - [ 0.0031371900000000, 0.0036224500000000, 0.0017272100000000 ] - [ 0.0052701400000000, 0.0541755800000000, 0.0510050400000000 ] - [ 0.0000484400000000, 0.0011546000000000, 0.0008579500000000 ] - [ 0.0007257300000000, 0.0007660200000000, -0.0005803500000000 ] - [ -0.0002098000000000, 0.0007979000000000, 0.0013429900000000 ] - [ -0.0052701400000000, 0.0541755800000000, -0.0510050400000000 ] - [ -0.0000484400000000, 0.0011546000000000, -0.0008579500000000 ] - [ 0.0043809000000000, 0.0060292600000000, -0.0034813200000000 ] - [ -0.0031371900000000, 0.0036224500000000, -0.0017272100000000 ] - [ -0.0007257300000000, 0.0007660200000000, 0.0005803500000000 ] - [ 0.0002098000000000, 0.0007979000000000, -0.0013429900000000 ] - [ 0.0026096300000000, -0.0094331700000000, -0.0008526800000000 ] - [ -0.0000161000000000, -0.0013150400000000, -0.0004144300000000 ] - [ 0.0000451000000000, -0.0019771600000000, 0.0037945900000000 ] - [ 0.0005029700000000, -0.0006667600000000, 0.0002124500000000 ] - [ 0.0001884400000000, -0.0008928200000000, -0.0014115100000000 ] - [ -0.0005279200000000, -0.0038654100000000, -0.0051039300000000 ] - [ -0.0026096300000000, -0.0094331700000000, 0.0008526800000000 ] - [ 0.0000161000000000, -0.0013150400000000, 0.0004144300000000 ] - [ -0.0001884400000000, -0.0008928200000000, 0.0014115100000000 ] - [ 0.0005279200000000, -0.0038654100000000, 0.0051039300000000 ] - [ -0.0000451000000000, -0.0019771600000000, -0.0037945900000000 ] - [ -0.0005029700000000, -0.0006667600000000, -0.0002124500000000 ] - [ 0.0931382700000000, 0.1026138100000000, -0.0210857900000000 ] - [ 0.0018595400000000, 0.0006370500000000, -0.0002930700000000 ] - [ 0.0005724900000000, 0.0013145200000000, 0.0000039300000000 ] - [ 0.0006509200000000, 0.0030201400000000, 0.0009838800000000 ] - [ 0.0020789900000000, 0.0051521700000000, -0.0046283000000000 ] - [ 0.0001668100000000, 0.0016182600000000, -0.0010674800000000 ] - [ -0.0931382700000000, 0.1026138100000000, 0.0210857900000000 ] - [ -0.0018595400000000, 0.0006370500000000, 0.0002930700000000 ] - [ -0.0020789900000000, 0.0051521700000000, 0.0046283000000000 ] - [ -0.0001668100000000, 0.0016182600000000, 0.0010674800000000 ] - [ -0.0005724900000000, 0.0013145200000000, -0.0000039300000000 ] - [ -0.0006509200000000, 0.0030201400000000, -0.0009838800000000 ] - [ -0.0067662000000000, -0.0084029300000000, -0.0145770000000000 ] - [ 0.0007495900000000, 0.0010204200000000, -0.0006643800000000 ] - [ -0.0071826200000000, -0.0017114600000000, 0.0028775900000000 ] - [ 0.0072279800000000, -0.0010123000000000, 0.0041474700000000 ] - [ 0.0008054900000000, 0.0006847600000000, -0.0002001400000000 ] - [ 0.0003063800000000, 0.0021975900000000, -0.0002748100000000 ] - [ 0.0071826200000000, -0.0017114600000000, -0.0028775900000000 ] - [ -0.0072279800000000, -0.0010123000000000, -0.0041474700000000 ] - [ 0.0067662000000000, -0.0084029300000000, 0.0145770000000000 ] - [ -0.0007495900000000, 0.0010204200000000, 0.0006643800000000 ] - [ -0.0008054900000000, 0.0006847600000000, 0.0002001400000000 ] - [ -0.0003063800000000, 0.0021975900000000, 0.0002748100000000 ] - [ 0.0005201400000000, -0.0061847300000000, -0.0018942100000000 ] - [ 0.0001780900000000, -0.0012513000000000, -0.0006075600000000 ] - [ -0.0018002500000000, -0.0032409200000000, 0.0000033900000000 ] - [ 0.0020048300000000, -0.0032626300000000, -0.0008283800000000 ] - [ 0.0001164000000000, -0.0005268700000000, 0.0001530800000000 ] - [ -0.0007611500000000, -0.0006754500000000, 0.0001186200000000 ] - [ 0.0018002500000000, -0.0032409200000000, -0.0000033900000000 ] - [ -0.0020048300000000, -0.0032626300000000, 0.0008283800000000 ] - [ -0.0005201400000000, -0.0061847300000000, 0.0018942100000000 ] - [ -0.0001780900000000, -0.0012513000000000, 0.0006075600000000 ] - [ -0.0001164000000000, -0.0005268700000000, -0.0001530800000000 ] - [ 0.0007611500000000, -0.0006754500000000, -0.0001186200000000 ] - [ 0.0139082000000000, 0.0055658200000000, -0.0110920900000000 ] - [ -0.0004759600000000, 0.0023463600000000, 0.0000702200000000 ] - [ 0.0002530700000000, 0.0003637500000000, -0.0002712300000000 ] - [ -0.0015906700000000, 0.0004720800000000, -0.0035141700000000 ] - [ -0.0019696400000000, 0.0029596200000000, 0.0081690000000000 ] - [ 0.0003368300000000, 0.0003303200000000, -0.0002435400000000 ] - [ -0.0139082000000000, 0.0055658200000000, 0.0110920900000000 ] - [ 0.0004759600000000, 0.0023463600000000, -0.0000702200000000 ] - [ 0.0019696400000000, 0.0029596200000000, -0.0081690000000000 ] - [ -0.0003368300000000, 0.0003303200000000, 0.0002435400000000 ] - [ -0.0002530700000000, 0.0003637500000000, 0.0002712300000000 ] - [ 0.0015906700000000, 0.0004720800000000, 0.0035141700000000 ] - [ -0.0036483000000000, -0.0083665900000000, 0.0005574300000000 ] - [ -0.0005191900000000, -0.0023226300000000, 0.0010129400000000 ] - [ -0.0015716700000000, -0.0032085200000000, -0.0009877700000000 ] - [ -0.0006245100000000, -0.0014094400000000, 0.0004324800000000 ] - [ -0.0014502100000000, -0.0014695300000000, 0.0004399800000000 ] - [ -0.0007210000000000, -0.0046821500000000, 0.0024345800000000 ] - [ 0.0036483000000000, -0.0083665900000000, -0.0005574300000000 ] - [ 0.0005191900000000, -0.0023226300000000, -0.0010129400000000 ] - [ 0.0014502100000000, -0.0014695300000000, -0.0004399800000000 ] - [ 0.0007210000000000, -0.0046821500000000, -0.0024345800000000 ] - [ 0.0015716700000000, -0.0032085200000000, 0.0009877700000000 ] - [ 0.0006245100000000, -0.0014094400000000, -0.0004324800000000 ] - [ -0.0078166800000000, -0.0057132000000000, 0.0029624900000000 ] - [ 0.0031656600000000, -0.0007870900000000, 0.0005680100000000 ] - [ -0.0008550100000000, -0.0073583700000000, -0.0023594600000000 ] - [ 0.0001069100000000, -0.0003687400000000, 0.0003708800000000 ] - [ 0.0005658400000000, -0.0002093100000000, -0.0002973400000000 ] - [ -0.0004130600000000, -0.0009211700000000, 0.0003897600000000 ] - [ 0.0008550100000000, -0.0073583700000000, 0.0023594600000000 ] - [ -0.0001069100000000, -0.0003687400000000, -0.0003708800000000 ] - [ 0.0078166800000000, -0.0057132000000000, -0.0029624900000000 ] - [ -0.0031656600000000, -0.0007870900000000, -0.0005680100000000 ] - [ -0.0005658400000000, -0.0002093100000000, 0.0002973400000000 ] - [ 0.0004130600000000, -0.0009211700000000, -0.0003897600000000 ] - [ 0.0154140000000000, -0.0223834300000000, 0.0016386700000000 ] - [ -0.0154140000000000, -0.0223834300000000, -0.0016386700000000 ] - [ -0.0002654400000000, -0.0015696200000000, -0.0007712700000000 ] - [ 0.0006529100000000, -0.0141669900000000, 0.0025999200000000 ] - [ -0.0006529100000000, -0.0141669900000000, -0.0025999200000000 ] - [ 0.0002654400000000, -0.0015696200000000, 0.0007712700000000 ] - [ -0.0104813600000000, 0.0184715900000000, 0.0190248300000000 ] - [ 0.0029613000000000, 0.0007030000000000, 0.0011256200000000 ] - [ 0.0104813600000000, 0.0184715900000000, -0.0190248300000000 ] - [ -0.0029613000000000, 0.0007030000000000, -0.0011256200000000 ] - [ 0.0000000000000000, -0.0004972100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018162400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0138648200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016481300000000, 0.0000000000000000 ] - [ -0.0003252000000000, 0.0042084800000000, 0.0013980300000000 ] - [ -0.0004497900000000, 0.0032970700000000, -0.0004369900000000 ] - [ 0.0003252000000000, 0.0042084800000000, -0.0013980300000000 ] - [ 0.0004497900000000, 0.0032970700000000, 0.0004369900000000 ] - [ -0.0127217200000000, 0.0138720700000000, -0.0156388500000000 ] - [ 0.0041306400000000, -0.0003313500000000, 0.0002319900000000 ] - [ -0.0041306400000000, -0.0003313500000000, -0.0002319900000000 ] - [ 0.0127217200000000, 0.0138720700000000, 0.0156388500000000 ] - [ 0.0003034300000000, 0.0015275500000000, -0.0026590200000000 ] - [ -0.0003034300000000, 0.0015275500000000, 0.0026590200000000 ] - [ 0.0000000000000000, -0.3539868400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0035062500000000, 0.0000000000000000 ] - [ -0.0008280800000000, -0.0068923500000000, 0.0009545600000000 ] - [ 0.0007293000000000, -0.0049355400000000, -0.0007420300000000 ] - [ 0.0008280800000000, -0.0068923500000000, -0.0009545600000000 ] - [ -0.0007293000000000, -0.0049355400000000, 0.0007420300000000 ] - [ 0.0135874000000000, 0.0204998300000000, 0.0114731600000000 ] - [ -0.0040193000000000, 0.0021424600000000, 0.0018438200000000 ] - [ 0.0040193000000000, 0.0021424600000000, -0.0018438200000000 ] - [ -0.0135874000000000, 0.0204998300000000, -0.0114731600000000 ] - [ -0.0005436500000000, -0.0014595000000000, 0.0015892300000000 ] - [ 0.0005436500000000, -0.0014595000000000, -0.0015892300000000 ] - [ 0.0002844700000000, 0.0112084300000000, -0.0016491600000000 ] - [ -0.0002844700000000, 0.0112084300000000, 0.0016491600000000 ] - [ -0.0002703400000000, 0.0031791500000000, -0.0007663600000000 ] - [ 0.0014164200000000, 0.0097384100000000, -0.0009548700000000 ] - [ -0.0014164200000000, 0.0097384100000000, 0.0009548700000000 ] - [ 0.0002703400000000, 0.0031791500000000, 0.0007663600000000 ] - [ 0.0215736600000000, 0.0204460400000000, -0.0382718100000000 ] - [ -0.0025912000000000, -0.0011421100000000, 0.0005462300000000 ] - [ -0.0215736600000000, 0.0204460400000000, 0.0382718100000000 ] - [ 0.0025912000000000, -0.0011421100000000, -0.0005462300000000 ] - [ 0.0000000000000000, -0.0006312800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008848800000000, 0.0000000000000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041443700000000, -0.0058166900000000, -0.0032624900000000 ] - [ -0.0033538200000000, -0.0034183100000000, -0.0015133200000000 ] - [ -0.0053288700000000, -0.0537030400000000, -0.0491900900000000 ] - [ -0.0002191700000000, -0.0009636300000000, -0.0006753300000000 ] - [ -0.0009289200000000, -0.0005781700000000, 0.0007791100000000 ] - [ 0.0000109000000000, -0.0006103500000000, -0.0011497400000000 ] - [ 0.0053288700000000, -0.0537030400000000, 0.0491900900000000 ] - [ 0.0002191700000000, -0.0009636300000000, 0.0006753300000000 ] - [ -0.0041443700000000, -0.0058166900000000, 0.0032624900000000 ] - [ 0.0033538200000000, -0.0034183100000000, 0.0015133200000000 ] - [ 0.0009289200000000, -0.0005781700000000, -0.0007791100000000 ] - [ -0.0000109000000000, -0.0006103500000000, 0.0011497400000000 ] - [ -0.0024050400000000, 0.0091998900000000, 0.0006809500000000 ] - [ 0.0002276200000000, 0.0011204000000000, 0.0002169600000000 ] - [ 0.0001417200000000, 0.0017890500000000, -0.0039501500000000 ] - [ -0.0003317800000000, 0.0004700700000000, -0.0003899000000000 ] - [ 0.0000292100000000, 0.0007049900000000, 0.0012005600000000 ] - [ 0.0007532300000000, 0.0036899600000000, 0.0048943300000000 ] - [ 0.0024050400000000, 0.0091998900000000, -0.0006809500000000 ] - [ -0.0002276200000000, 0.0011204000000000, -0.0002169600000000 ] - [ -0.0000292100000000, 0.0007049900000000, -0.0012005600000000 ] - [ -0.0007532300000000, 0.0036899600000000, -0.0048943300000000 ] - [ -0.0001417200000000, 0.0017890500000000, 0.0039501500000000 ] - [ 0.0003317800000000, 0.0004700700000000, 0.0003899000000000 ] - [ -0.0981750700000000, -0.1059208800000000, 0.0220993900000000 ] - [ -0.0022912900000000, -0.0010236300000000, 0.0002009800000000 ] - [ -0.0010195500000000, -0.0016985800000000, -0.0001031500000000 ] - [ -0.0010999300000000, -0.0034214400000000, -0.0010846700000000 ] - [ -0.0024657200000000, -0.0055424100000000, 0.0045108400000000 ] - [ -0.0005565400000000, -0.0019963000000000, 0.0009551900000000 ] - [ 0.0981750700000000, -0.1059208800000000, -0.0220993900000000 ] - [ 0.0022912900000000, -0.0010236300000000, -0.0002009800000000 ] - [ 0.0024657200000000, -0.0055424100000000, -0.0045108400000000 ] - [ 0.0005565400000000, -0.0019963000000000, -0.0009551900000000 ] - [ 0.0010195500000000, -0.0016985800000000, 0.0001031500000000 ] - [ 0.0010999300000000, -0.0034214400000000, 0.0010846700000000 ] - [ 0.0072575400000000, 0.0088978800000000, 0.0148461300000000 ] - [ -0.0003508900000000, -0.0006313900000000, 0.0007715800000000 ] - [ 0.0076095900000000, 0.0020779500000000, -0.0027667200000000 ] - [ -0.0067922500000000, 0.0013652600000000, -0.0040190300000000 ] - [ -0.0003685100000000, -0.0003174400000000, 0.0002952100000000 ] - [ 0.0001313500000000, -0.0018472200000000, 0.0003765100000000 ] - [ -0.0076095900000000, 0.0020779500000000, 0.0027667200000000 ] - [ 0.0067922500000000, 0.0013652600000000, 0.0040190300000000 ] - [ -0.0072575400000000, 0.0088978800000000, -0.0148461300000000 ] - [ 0.0003508900000000, -0.0006313900000000, -0.0007715800000000 ] - [ 0.0003685100000000, -0.0003174400000000, -0.0002952100000000 ] - [ -0.0001313500000000, -0.0018472200000000, -0.0003765100000000 ] - [ -0.0007375200000000, 0.0063674600000000, 0.0021183200000000 ] - [ -0.0003948000000000, 0.0014241700000000, 0.0008034700000000 ] - [ 0.0016277900000000, 0.0034240300000000, 0.0001674400000000 ] - [ -0.0021952800000000, 0.0034413900000000, 0.0009834200000000 ] - [ -0.0003206100000000, 0.0007098700000000, 0.0000481000000000 ] - [ 0.0005643300000000, 0.0008602600000000, 0.0000794700000000 ] - [ -0.0016277900000000, 0.0034240300000000, -0.0001674400000000 ] - [ 0.0021952800000000, 0.0034413900000000, -0.0009834200000000 ] - [ 0.0007375200000000, 0.0063674600000000, -0.0021183200000000 ] - [ 0.0003948000000000, 0.0014241700000000, -0.0008034700000000 ] - [ 0.0003206100000000, 0.0007098700000000, -0.0000481000000000 ] - [ -0.0005643300000000, 0.0008602600000000, -0.0000794700000000 ] - [ -0.0140015900000000, -0.0055671000000000, 0.0108440500000000 ] - [ 0.0006845200000000, -0.0025115100000000, -0.0002672100000000 ] - [ -0.0000765000000000, -0.0005454600000000, 0.0000950300000000 ] - [ 0.0017951800000000, -0.0006450700000000, 0.0033599200000000 ] - [ 0.0022343500000000, -0.0030984600000000, -0.0083744400000000 ] - [ -0.0001173600000000, -0.0005130500000000, 0.0000416300000000 ] - [ 0.0140015900000000, -0.0055671000000000, -0.0108440500000000 ] - [ -0.0006845200000000, -0.0025115100000000, 0.0002672100000000 ] - [ -0.0022343500000000, -0.0030984600000000, 0.0083744400000000 ] - [ 0.0001173600000000, -0.0005130500000000, -0.0000416300000000 ] - [ 0.0000765000000000, -0.0005454600000000, -0.0000950300000000 ] - [ -0.0017951800000000, -0.0006450700000000, -0.0033599200000000 ] - [ 0.0031732800000000, 0.0079367100000000, -0.0006608400000000 ] - [ 0.0000794300000000, 0.0019379100000000, -0.0011050000000000 ] - [ 0.0011308200000000, 0.0028211800000000, 0.0008756100000000 ] - [ 0.0001804900000000, 0.0010310100000000, -0.0005311600000000 ] - [ 0.0010500100000000, 0.0010783300000000, -0.0005473900000000 ] - [ 0.0003309600000000, 0.0042853800000000, -0.0025278900000000 ] - [ -0.0031732800000000, 0.0079367100000000, 0.0006608400000000 ] - [ -0.0000794300000000, 0.0019379100000000, 0.0011050000000000 ] - [ -0.0010500100000000, 0.0010783300000000, 0.0005473900000000 ] - [ -0.0003309600000000, 0.0042853800000000, 0.0025278900000000 ] - [ -0.0011308200000000, 0.0028211800000000, -0.0008756100000000 ] - [ -0.0001804900000000, 0.0010310100000000, 0.0005311600000000 ] - [ 0.0081980500000000, 0.0061001200000000, -0.0028502100000000 ] - [ -0.0027734500000000, 0.0011603100000000, -0.0004557800000000 ] - [ 0.0013397300000000, 0.0077429000000000, 0.0023989500000000 ] - [ 0.0003441600000000, 0.0007537400000000, -0.0002752700000000 ] - [ -0.0001212600000000, 0.0005977600000000, 0.0003914200000000 ] - [ 0.0008609700000000, 0.0013106300000000, -0.0002949200000000 ] - [ -0.0013397300000000, 0.0077429000000000, -0.0023989500000000 ] - [ -0.0003441600000000, 0.0007537400000000, 0.0002752700000000 ] - [ -0.0081980500000000, 0.0061001200000000, 0.0028502100000000 ] - [ 0.0027734500000000, 0.0011603100000000, 0.0004557800000000 ] - [ 0.0001212600000000, 0.0005977600000000, -0.0003914200000000 ] - [ -0.0008609700000000, 0.0013106300000000, 0.0002949200000000 ] - [ -0.0152997100000000, 0.0222388500000000, -0.0016299500000000 ] - [ 0.0152997100000000, 0.0222388500000000, 0.0016299500000000 ] - [ 0.0002671700000000, 0.0015007600000000, 0.0007784700000000 ] - [ -0.0006622500000000, 0.0142068300000000, -0.0026813800000000 ] - [ 0.0006622500000000, 0.0142068300000000, 0.0026813800000000 ] - [ -0.0002671700000000, 0.0015007600000000, -0.0007784700000000 ] - [ 0.0105556200000000, -0.0183617100000000, -0.0189885200000000 ] - [ -0.0029659700000000, -0.0006261300000000, -0.0011184600000000 ] - [ -0.0105556200000000, -0.0183617100000000, 0.0189885200000000 ] - [ 0.0029659700000000, -0.0006261300000000, 0.0011184600000000 ] - [ 0.0000000000000000, 0.0005785500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019113900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0138850300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017194700000000, 0.0000000000000000 ] - [ 0.0003163000000000, -0.0042648600000000, -0.0013828500000000 ] - [ 0.0004633900000000, -0.0033683500000000, 0.0004409300000000 ] - [ -0.0003163000000000, -0.0042648600000000, 0.0013828500000000 ] - [ -0.0004633900000000, -0.0033683500000000, -0.0004409300000000 ] - [ 0.0126453800000000, -0.0138115200000000, 0.0154631400000000 ] - [ -0.0041221200000000, 0.0003887800000000, -0.0002348600000000 ] - [ 0.0041221200000000, 0.0003887800000000, 0.0002348600000000 ] - [ -0.0126453800000000, -0.0138115200000000, -0.0154631400000000 ] - [ -0.0003061100000000, -0.0014655900000000, 0.0026526100000000 ] - [ 0.0003061100000000, -0.0014655900000000, -0.0026526100000000 ] - [ 0.0000000000000000, 0.3601680600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0048424000000000, 0.0000000000000000 ] - [ 0.0008392200000000, 0.0082259600000000, -0.0009602000000000 ] - [ -0.0007489100000000, 0.0062985100000000, 0.0007423300000000 ] - [ -0.0008392200000000, 0.0082259600000000, 0.0009602000000000 ] - [ 0.0007489100000000, 0.0062985100000000, -0.0007423300000000 ] - [ -0.0137366900000000, -0.0219015000000000, -0.0113896800000000 ] - [ 0.0039986900000000, -0.0034750500000000, -0.0018411300000000 ] - [ -0.0039986900000000, -0.0034750500000000, 0.0018411300000000 ] - [ 0.0137366900000000, -0.0219015000000000, 0.0113896800000000 ] - [ 0.0005464600000000, 0.0001273500000000, -0.0015798600000000 ] - [ -0.0005464600000000, 0.0001273500000000, 0.0015798600000000 ] - [ -0.0003131000000000, -0.0098274200000000, 0.0016490500000000 ] - [ 0.0003131000000000, -0.0098274200000000, -0.0016490500000000 ] - [ 0.0002588700000000, -0.0018253600000000, 0.0007671200000000 ] - [ -0.0014343700000000, -0.0083803800000000, 0.0009901300000000 ] - [ 0.0014343700000000, -0.0083803800000000, -0.0009901300000000 ] - [ -0.0002588700000000, -0.0018253600000000, -0.0007671200000000 ] - [ -0.0214520700000000, -0.0218429200000000, 0.0378950500000000 ] - [ 0.0025815500000000, -0.0002229300000000, -0.0005409400000000 ] - [ 0.0214520700000000, -0.0218429200000000, -0.0378950500000000 ] - [ -0.0025815500000000, -0.0002229300000000, 0.0005409400000000 ] - [ 0.0000000000000000, -0.0007216000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022578700000000, 0.0000000000000000 ]- atom: 121 displacement: [ -0.0065595163377495, 0.0000000000000000, 0.0075480292404573 ] forces: - [ 0.0062486500000000, -0.0002968400000000, -0.0065383900000000 ] - [ -0.0005783600000000, -0.0009181700000000, 0.0065606800000000 ] - [ -0.0090487200000000, 0.0259694700000000, 0.0818641600000000 ] - [ 0.0021922900000000, 0.0003548100000000, 0.0003696700000000 ] - [ 0.0022988400000000, -0.0015279500000000, -0.0055341200000000 ] - [ -0.0021738200000000, 0.0012427300000000, -0.0044994900000000 ] - [ -0.0094831700000000, -0.0242460400000000, 0.0781420900000000 ] - [ 0.0023703100000000, -0.0001707800000000, 0.0002204400000000 ] - [ 0.0064950900000000, 0.0004910300000000, -0.0067307400000000 ] - [ -0.0003433700000000, 0.0010899900000000, 0.0064220200000000 ] - [ 0.0025132000000000, 0.0016920000000000, -0.0056526600000000 ] - [ -0.0019633300000000, -0.0010663000000000, -0.0046453300000000 ] - [ 0.0003448600000000, -0.0053962200000000, 0.0064021100000000 ] - [ 0.0015394300000000, 0.0004521300000000, 0.0014370900000000 ] - [ -0.0004838400000000, 0.0014237900000000, -0.0043599300000000 ] - [ 0.0006538900000000, -0.0011030700000000, -0.0014403100000000 ] - [ 0.0015216400000000, -0.0008075100000000, -0.0022634100000000 ] - [ -0.0020676000000000, -0.0001300200000000, -0.0006068500000000 ] - [ 0.0001221300000000, 0.0051744000000000, 0.0065474600000000 ] - [ 0.0013257700000000, -0.0006286900000000, 0.0015795500000000 ] - [ 0.0012922900000000, 0.0006265200000000, -0.0021007100000000 ] - [ -0.0022953100000000, -0.0000470800000000, -0.0004409000000000 ] - [ -0.0006616600000000, -0.0016026200000000, -0.0042425900000000 ] - [ 0.0004631500000000, 0.0009210500000000, -0.0013110600000000 ] - [ -0.1056798800000000, -0.0809371800000000, 0.0355807100000000 ] - [ 0.0074764200000000, -0.0001739300000000, 0.0006280900000000 ] - [ 0.0051271500000000, 0.0023284800000000, -0.0025755700000000 ] - [ -0.0060654800000000, -0.0004156000000000, -0.0009748100000000 ] - [ 0.0044250300000000, -0.0004692500000000, -0.0055952600000000 ] - [ 0.0001354800000000, -0.0007086700000000, 0.0000322600000000 ] - [ -0.1016831000000000, 0.0769058500000000, 0.0353834000000000 ] - [ 0.0078280600000000, -0.0002069200000000, 0.0007688000000000 ] - [ 0.0047236400000000, 0.0001043600000000, -0.0054361700000000 ] - [ 0.0004523900000000, 0.0003269300000000, 0.0001928100000000 ] - [ 0.0054674100000000, -0.0026935700000000, -0.0024242700000000 ] - [ -0.0056988700000000, 0.0000256500000000, -0.0008234600000000 ] - [ -0.0176382700000000, -0.0151492700000000, 0.0003525800000000 ] - [ 0.0038123800000000, 0.0013871400000000, -0.0003773200000000 ] - [ 0.0093322600000000, 0.0056915500000000, -0.0030400300000000 ] - [ -0.0002483800000000, -0.0066012000000000, 0.0077716300000000 ] - [ 0.0020701800000000, 0.0001343200000000, -0.0019772100000000 ] - [ -0.0005289700000000, 0.0030896200000000, -0.0030998200000000 ] - [ 0.0089823600000000, -0.0053063900000000, -0.0031879700000000 ] - [ -0.0006391700000000, 0.0069742600000000, 0.0076019000000000 ] - [ -0.0180682700000000, 0.0156865300000000, 0.0001760400000000 ] - [ 0.0034986100000000, -0.0009921500000000, -0.0005303500000000 ] - [ 0.0017089700000000, 0.0002459600000000, -0.0021226000000000 ] - [ -0.0008697300000000, -0.0027223700000000, -0.0032485500000000 ] - [ -0.0028750700000000, -0.0008462700000000, 0.0014725900000000 ] - [ 0.0020278300000000, -0.0008431300000000, -0.0003118300000000 ] - [ 0.0015694900000000, 0.0009085800000000, 0.0009596900000000 ] - [ -0.0009034500000000, 0.0011478500000000, 0.0023576000000000 ] - [ 0.0010439000000000, -0.0003113500000000, -0.0025103000000000 ] - [ -0.0011628000000000, -0.0000333100000000, -0.0014004800000000 ] - [ 0.0017540900000000, -0.0007382200000000, 0.0008287800000000 ] - [ -0.0007239500000000, -0.0009816800000000, 0.0022646600000000 ] - [ -0.0026542900000000, 0.0010244100000000, 0.0013094100000000 ] - [ 0.0022537800000000, 0.0010197200000000, -0.0004596100000000 ] - [ 0.0012460100000000, 0.0004872500000000, -0.0026443600000000 ] - [ -0.0009549200000000, 0.0002042000000000, -0.0015392400000000 ] - [ 0.0067925400000000, -0.0191762300000000, 0.0080616300000000 ] - [ 0.0050877200000000, 0.0015720500000000, 0.0028222600000000 ] - [ 0.0035367900000000, -0.0017575100000000, -0.0041418000000000 ] - [ -0.0058278100000000, -0.0028094900000000, -0.0062784200000000 ] - [ 0.0040651100000000, -0.0006133500000000, -0.0108242200000000 ] - [ 0.0005267500000000, 0.0004254100000000, -0.0008896900000000 ] - [ 0.0067841800000000, 0.0189773500000000, 0.0081723600000000 ] - [ 0.0048899500000000, -0.0017331000000000, 0.0029604700000000 ] - [ 0.0038409600000000, 0.0004450600000000, -0.0107001000000000 ] - [ 0.0003031800000000, -0.0006028600000000, -0.0007308400000000 ] - [ 0.0033519400000000, 0.0015806100000000, -0.0040268600000000 ] - [ -0.0060259300000000, 0.0026410900000000, -0.0061769300000000 ] - [ -0.0013312400000000, 0.0027368300000000, 0.0039463600000000 ] - [ 0.0021911700000000, -0.0005374500000000, 0.0010330400000000 ] - [ -0.0014774200000000, -0.0019595200000000, -0.0017587500000000 ] - [ 0.0008706000000000, 0.0010049300000000, -0.0011688900000000 ] - [ 0.0031193500000000, 0.0010659900000000, -0.0015345400000000 ] - [ -0.0030044900000000, -0.0008179700000000, -0.0003679800000000 ] - [ -0.0009777900000000, -0.0031327300000000, 0.0041007000000000 ] - [ 0.0025400200000000, 0.0001533800000000, 0.0011639100000000 ] - [ 0.0034518100000000, -0.0014689700000000, -0.0013827400000000 ] - [ -0.0026982600000000, 0.0004221100000000, -0.0002119400000000 ] - [ -0.0011159100000000, 0.0015683000000000, -0.0016031200000000 ] - [ 0.0012182200000000, -0.0013878400000000, -0.0010128900000000 ] - [ 0.0106916800000000, 0.0086717100000000, -0.0039325000000000 ] - [ -0.0021945900000000, 0.0000935800000000, 0.0007209900000000 ] - [ -0.0072452900000000, -0.0125283500000000, 0.0032017000000000 ] - [ 0.0031428000000000, 0.0007091000000000, 0.0003004000000000 ] - [ 0.0029124800000000, 0.0009160400000000, -0.0018048300000000 ] - [ -0.0016875300000000, -0.0001033600000000, -0.0006855800000000 ] - [ -0.0075803500000000, 0.0128880500000000, 0.0030542300000000 ] - [ 0.0027839200000000, -0.0003332500000000, 0.0001464700000000 ] - [ 0.0103726500000000, -0.0082885300000000, -0.0040918100000000 ] - [ -0.0024910400000000, 0.0002829900000000, 0.0005535800000000 ] - [ 0.0025608800000000, -0.0005361400000000, -0.0019424800000000 ] - [ -0.0020417400000000, 0.0004827900000000, -0.0008306500000000 ] - [ -0.0373873100000000, -0.0011924000000000, -0.0110998300000000 ] - [ -0.0372624900000000, 0.0010572200000000, -0.0110120000000000 ] - [ -0.0037680400000000, 0.0010356200000000, 0.0029404900000000 ] - [ 0.0070733600000000, -0.0094012500000000, 0.0257950300000000 ] - [ 0.0070308500000000, 0.0093863200000000, 0.0257142800000000 ] - [ -0.0037586200000000, -0.0010833300000000, 0.0029393300000000 ] - [ -0.0039529300000000, 0.0222592700000000, 0.0147091600000000 ] - [ -0.0030129600000000, -0.0000650900000000, -0.0012233100000000 ] - [ -0.0039659000000000, -0.0222431800000000, 0.0146572700000000 ] - [ -0.0030161200000000, 0.0001107600000000, -0.0012255600000000 ] - [ -0.0030981000000000, 0.0000236500000000, 0.0045081000000000 ] - [ 0.0040085900000000, 0.0000252600000000, 0.0023293600000000 ] - [ 0.0073272200000000, -0.0000106800000000, -0.0096387100000000 ] - [ -0.0040570500000000, -0.0000245200000000, -0.0009555600000000 ] - [ -0.0021345700000000, 0.0021096100000000, 0.0045514700000000 ] - [ 0.0018461800000000, 0.0006262100000000, 0.0002969300000000 ] - [ -0.0021337700000000, -0.0021426000000000, 0.0045479700000000 ] - [ 0.0018538400000000, -0.0006699100000000, 0.0002975200000000 ] - [ 0.0215759100000000, -0.0054753000000000, -0.0146245600000000 ] - [ -0.0085387100000000, -0.0008860400000000, 0.0005371600000000 ] - [ -0.0085494000000000, 0.0009383700000000, 0.0005302300000000 ] - [ 0.0215628100000000, 0.0055048900000000, -0.0145839600000000 ] - [ 0.0003593800000000, -0.0030007700000000, 0.0057997500000000 ] - [ 0.0003692900000000, 0.0030566100000000, 0.0058126900000000 ] - [ 0.2804987400000000, 0.0023816700000000, -0.2987895800000000 ] - [ -0.0108822300000000, 0.0006126200000000, 0.0004893300000000 ] - [ -0.0128574200000000, -0.0006601700000000, 0.0126305800000000 ] - [ 0.0060622600000000, 0.0016767500000000, -0.0006531700000000 ] - [ -0.0128202700000000, 0.0018836100000000, 0.0125688400000000 ] - [ 0.0060801500000000, -0.0004128900000000, -0.0006383000000000 ] - [ 0.0182929500000000, -0.0009352600000000, -0.0189328500000000 ] - [ -0.0092501400000000, 0.0033869000000000, 0.0018906100000000 ] - [ -0.0092377900000000, -0.0046441900000000, 0.0018722400000000 ] - [ 0.0183511500000000, -0.0002709200000000, -0.0190686300000000 ] - [ -0.0016135100000000, 0.0009282100000000, 0.0050881900000000 ] - [ -0.0016060100000000, -0.0021659800000000, 0.0050907500000000 ] - [ -0.0026577000000000, 0.0020856700000000, -0.0043816400000000 ] - [ -0.0026563200000000, -0.0008137300000000, -0.0043630000000000 ] - [ -0.0045020600000000, 0.0010335300000000, 0.0031439800000000 ] - [ 0.0044690000000000, 0.0022849100000000, 0.0026675300000000 ] - [ 0.0044725800000000, -0.0010390300000000, 0.0026534100000000 ] - [ -0.0044826800000000, 0.0002258400000000, 0.0031426000000000 ] - [ -0.0265391300000000, -0.0433253700000000, 0.0342552500000000 ] - [ -0.0029677600000000, 0.0014882700000000, -0.0030739300000000 ] - [ -0.0266221400000000, 0.0424093200000000, 0.0345220100000000 ] - [ -0.0029791800000000, -0.0027287100000000, -0.0030749500000000 ] - [ -0.0076331800000000, -0.0006209000000000, 0.0074173100000000 ] - [ 0.0045507200000000, -0.0006283900000000, 0.0072191500000000 ]