# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e420e005-ca1e-491b-94dc-0aad13a3dfdd/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 SiC / R3m (160) / materials id 570641](https://mdr.nims.go.jp/datasets/7e272c67-1c1b-4534-a787-2afa6d15ae9e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R3m" number: 160 Hall_symbol: "R 3 -2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 1.540561476666668, 0.889443586666666, 20.146400823333313 ] # a - [ -1.540561483333332, 0.889443586666666, 20.146400823333313 ] # b - [ 0.000000006666668, -1.778887173333334, 20.146400823333313 ] # c points: - symbol: Si # 1 coordinates: [ 0.875056540000000, 0.875056540000003, 0.875056540000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.375120470000000, 0.375120460000002, 0.375120470000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.583427160000000, 0.583427150000003, 0.583427160000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.000082760000000, 0.000082770000002, 0.000082760000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.500032450000000, 0.500032440000002, 0.500032450000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.291725670000000, 0.291725680000003, 0.291725670000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.750088120000000, 0.750088120000002, 0.750088120000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.125061370000000, 0.125061380000002, 0.125061370000000 ] mass: 28.085500 - symbol: C # 9 coordinates: [ 0.968743440000000, 0.968743440000003, 0.968743440000000 ] mass: 12.010700 - symbol: C # 10 coordinates: [ 0.468785000000000, 0.468784990000002, 0.468785000000000 ] mass: 12.010700 - symbol: C # 11 coordinates: [ 0.093804820000000, 0.093804830000002, 0.093804820000000 ] mass: 12.010700 - symbol: C # 12 coordinates: [ 0.718828750000000, 0.718828750000002, 0.718828750000000 ] mass: 12.010700 - symbol: C # 13 coordinates: [ 0.843717720000000, 0.843717720000003, 0.843717720000000 ] mass: 12.010700 - symbol: C # 14 coordinates: [ 0.343870520000000, 0.343870510000002, 0.343870520000000 ] mass: 12.010700 - symbol: C # 15 coordinates: [ 0.260476280000000, 0.260476290000003, 0.260476280000000 ] mass: 12.010700 - symbol: C # 16 coordinates: [ 0.552178900000000, 0.552178890000003, 0.552178900000000 ] mass: 12.010700 reciprocal_lattice: # without 2pi - [ 0.324556992039032, 0.187383067624484, 0.016545552540942 ] # a* - [ -0.324556992039032, 0.187383065191824, 0.016545552540942 ] # b* - [ 0.000000000000000, -0.374766132816308, 0.016545552540942 ] # c*unit_cell: lattice: - [ 3.081122960000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.540561490000000, 2.668330760000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 60.439202469999998 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875056540000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.708453800000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916760490000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666749430000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833365780000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.958392340000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750088120000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.791728040000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.208389880000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.041787130000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250093830000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000082760000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166699120000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.291725680000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083421460000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125061380000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.541723210000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375120460000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583427160000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333416100000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500032450000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.625059010000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.416754790000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.458394710000000 ] mass: 28.085500 reduced_to: 8 - symbol: C # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.968743440000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.802118330000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.760471490000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.718828750000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.843717720000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.677203850000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.927142950000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.885512230000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.302076770000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 34 coordinates: [ 0.333333330000000, 0.666666670000000, 0.135451660000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.093804830000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.052162080000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.177051050000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.010537180000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.260476290000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.218845560000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.635410110000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.468784990000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.427138160000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.385495410000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 45 coordinates: [ 0.333333330000000, 0.666666670000000, 0.510384380000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.343870510000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.593809620000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.552178900000000 ] mass: 12.010700 reduced_to: 32supercell: lattice: - [ 3.081122960000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.540561490000000, 2.668330760000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 60.439202469999998 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875056540000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.708453800000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916760490000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666749430000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833365780000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.958392340000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750088120000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.791728040000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.208389880000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.041787130000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250093830000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000082760000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166699120000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.291725680000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083421460000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125061380000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.541723210000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375120460000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583427160000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333416100000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500032450000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.625059010000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.416754790000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.458394710000000 ] mass: 28.085500 reduced_to: 8 - symbol: C # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.968743440000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.802118330000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.760471490000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.718828750000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.843717720000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.677203850000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.927142950000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.885512230000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.302076770000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 34 coordinates: [ 0.333333330000000, 0.666666670000000, 0.135451660000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.093804830000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.052162080000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.177051050000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.010537180000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.260476290000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.218845560000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.635410110000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.468784990000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.427138160000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.385495410000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 45 coordinates: [ 0.333333330000000, 0.666666670000000, 0.510384380000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.343870510000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.593809620000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.552178900000000 ] mass: 12.010700 reduced_to: 32displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1972042900000000, -0.0026928500000000, -0.0017862400000000 ] - [ -0.0000081700000000, 0.0000002000000000, 0.0000078100000000 ] - [ 0.0033956100000000, -0.0000089500000000, -0.0000492100000000 ] - [ -0.0000004300000000, -0.0000002800000000, 0.0000054500000000 ] - [ 0.0031692400000000, 0.0000475200000000, -0.0000596300000000 ] - [ -0.0003858900000000, -0.0000000600000000, -0.0000015100000000 ] - [ -0.0000295400000000, 0.0000002900000000, -0.0000022500000000 ] - [ -0.0004665400000000, -0.0000004400000000, 0.0000054900000000 ] - [ -0.0000007300000000, 0.0000003400000000, -0.0000131600000000 ] - [ 0.0000010100000000, -0.0000002900000000, 0.0000082500000000 ] - [ 0.0000003200000000, -0.0000001700000000, 0.0000091700000000 ] - [ -0.0000260400000000, 0.0000000100000000, 0.0000062400000000 ] - [ 0.0000005600000000, -0.0000002700000000, -0.0000164600000000 ] - [ -0.0000003100000000, -0.0000001400000000, -0.0000075100000000 ] - [ -0.0000005900000000, 0.0000001800000000, -0.0000122500000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000045900000000 ] - [ 0.0000001200000000, -0.0000001300000000, -0.0000056500000000 ] - [ -0.0000008200000000, 0.0000001800000000, 0.0000102900000000 ] - [ 0.0000002200000000, -0.0000001600000000, 0.0000176700000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0000132700000000 ] - [ -0.0000001600000000, 0.0000001900000000, -0.0000149600000000 ] - [ -0.0000008200000000, 0.0000003200000000, 0.0000010000000000 ] - [ 0.0000004800000000, -0.0000002900000000, -0.0000123200000000 ] - [ -0.0000002700000000, 0.0000001900000000, -0.0000033700000000 ] - [ -0.0000229600000000, -0.0000002800000000, -0.0000114000000000 ] - [ 0.0022550600000000, -0.0000019200000000, -0.0000114000000000 ] - [ 0.0003390300000000, -0.0000006600000000, 0.0000006800000000 ] - [ 0.0000499100000000, -0.0000002400000000, -0.0000034800000000 ] - [ 0.0205105700000000, 0.0000028300000000, 0.0002756700000000 ] - [ 0.0000078600000000, 0.0000002400000000, 0.0000022500000000 ] - [ -0.0014549300000000, 0.0000060200000000, -0.0000156600000000 ] - [ 0.1698732100000000, 0.0026485400000000, 0.0016440400000000 ] - [ -0.0000002900000000, 0.0000002000000000, 0.0000039600000000 ] - [ 0.0000001900000000, -0.0000001700000000, 0.0000120500000000 ] - [ 0.0000002300000000, -0.0000001800000000, -0.0000000700000000 ] - [ -0.0000015600000000, 0.0000003100000000, 0.0000038500000000 ] - [ -0.0000005400000000, 0.0000002600000000, 0.0000158800000000 ] - [ -0.0000003700000000, -0.0000001500000000, 0.0000021000000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0000073600000000 ] - [ 0.0000004900000000, -0.0000002900000000, 0.0000061800000000 ] - [ 0.0000020600000000, -0.0000002500000000, -0.0000127000000000 ] - [ 0.0000002400000000, -0.0000001800000000, 0.0000134100000000 ] - [ -0.0000005400000000, 0.0000002800000000, 0.0000004000000000 ] - [ 0.0000002400000000, -0.0000001800000000, 0.0000047300000000 ] - [ 0.0000002600000000, -0.0000002200000000, 0.0000171300000000 ] - [ 0.0000002200000000, -0.0000001900000000, 0.0000103000000000 ] - [ -0.0000002000000000, 0.0000001800000000, -0.0000070500000000 ] - [ -0.0000002700000000, 0.0000001800000000, -0.0000124900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.3153779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0280304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0262618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035943000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043950600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035812500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035508100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036282800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035702400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036284200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0053799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036551300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1230442000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035742100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1363020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035679800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034041500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035603800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035669100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035659500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034032200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035621500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035781600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.3231848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035590900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0277173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0262201100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035932600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032825600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035899600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035589000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035199200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032960500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035922600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053093100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035820000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1302832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035746700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020326500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1373113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035674900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035842300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034877600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035723700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033945300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035548700000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000076400000000, -0.0000001300000000, 0.0000018100000000 ] - [ -0.1981583900000000, 0.0026657200000000, -0.0017768900000000 ] - [ -0.0000001600000000, 0.0000003000000000, 0.0000174400000000 ] - [ 0.0033765800000000, 0.0000481500000000, -0.0000451100000000 ] - [ -0.0000348800000000, 0.0000004000000000, 0.0000010000000000 ] - [ -0.0000000600000000, -0.0000001700000000, 0.0000018500000000 ] - [ 0.0031657600000000, 0.0000108100000000, -0.0000727900000000 ] - [ -0.0003857000000000, -0.0000006100000000, 0.0000006000000000 ] - [ -0.0000010900000000, 0.0000003200000000, -0.0000133800000000 ] - [ 0.0000004600000000, -0.0000002900000000, 0.0000079700000000 ] - [ 0.0000002100000000, -0.0000001800000000, 0.0000088800000000 ] - [ -0.0000000900000000, 0.0000001800000000, 0.0000055500000000 ] - [ 0.0000005400000000, -0.0000002900000000, -0.0000167300000000 ] - [ 0.0000002900000000, -0.0000001500000000, -0.0000077900000000 ] - [ -0.0000000900000000, 0.0000001800000000, -0.0000125100000000 ] - [ -0.0000001400000000, 0.0000001700000000, -0.0000048400000000 ] - [ 0.0000008200000000, -0.0000001500000000, -0.0000058500000000 ] - [ -0.0000002400000000, 0.0000001700000000, 0.0000099500000000 ] - [ -0.0000318500000000, -0.0000000400000000, 0.0000176300000000 ] - [ -0.0000001100000000, 0.0000001700000000, -0.0000134600000000 ] - [ 0.0000001200000000, 0.0000001800000000, -0.0000152500000000 ] - [ 0.0003003500000000, 0.0000003900000000, 0.0000041200000000 ] - [ 0.0000006800000000, -0.0000003000000000, -0.0000125100000000 ] - [ -0.0000000600000000, 0.0000001800000000, -0.0000037500000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000118000000000 ] - [ -0.0000187100000000, 0.0000008000000000, -0.0000033700000000 ] - [ -0.0014146800000000, -0.0000076500000000, -0.0000079200000000 ] - [ 0.1709391400000000, -0.0026753900000000, 0.0016517700000000 ] - [ -0.0000125100000000, -0.0000002300000000, -0.0000007100000000 ] - [ 0.0201315100000000, -0.0000370100000000, 0.0002712200000000 ] - [ 0.0000004700000000, -0.0000003400000000, -0.0000063200000000 ] - [ -0.0000000400000000, 0.0000001800000000, -0.0000118700000000 ] - [ -0.0000002100000000, 0.0000001900000000, 0.0000042100000000 ] - [ 0.0000002800000000, -0.0000001900000000, 0.0000123600000000 ] - [ 0.0000003100000000, -0.0000001700000000, 0.0000002500000000 ] - [ -0.0000005300000000, 0.0000002900000000, 0.0000041400000000 ] - [ -0.0000004800000000, 0.0000002400000000, 0.0000161400000000 ] - [ 0.0000003000000000, -0.0000001800000000, 0.0000023300000000 ] - [ -0.0000001900000000, 0.0000001500000000, -0.0000071100000000 ] - [ 0.0000005600000000, -0.0000003000000000, 0.0000064800000000 ] - [ 0.0021063400000000, -0.0000049500000000, -0.0000232900000000 ] - [ 0.0000004600000000, -0.0000002100000000, 0.0000136400000000 ] - [ -0.0000005800000000, 0.0000003000000000, 0.0000007200000000 ] - [ 0.0000003600000000, -0.0000001900000000, 0.0000050200000000 ] - [ 0.0000021300000000, -0.0000002300000000, 0.0000173600000000 ] - [ 0.0000002800000000, -0.0000002100000000, 0.0000106600000000 ] - [ 0.0000264200000000, -0.0000002700000000, -0.0000076400000000 ] - [ 0.0000143600000000, 0.0000001500000000, -0.0000121800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0035729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3235498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038497100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0278340500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039417600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0282677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046355500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038569800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038391900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035655600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039248500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039326700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035717400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039468000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035477000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039296300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052837700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038587000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1373260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1270180400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038574100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038497000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038565400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038899800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0035603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3315720000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0278990500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0280008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038384700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039522400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039415800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038743900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038367100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039561300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038751900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036791400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038891000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1382848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1343993800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037691400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038580300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037089700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037676000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038578200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046889100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038620100000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033967000000000, -0.0000486700000000, -0.0000488700000000 ] - [ 0.0000001800000000, 0.0000001800000000, 0.0000075800000000 ] - [ -0.1979965200000000, -0.0026646800000000, -0.0017679400000000 ] - [ 0.0000002400000000, -0.0000002700000000, 0.0000052900000000 ] - [ 0.0003004500000000, 0.0000001100000000, 0.0000039800000000 ] - [ 0.0033142800000000, -0.0000107700000000, -0.0000690100000000 ] - [ 0.0000000200000000, 0.0000002000000000, -0.0000026800000000 ] - [ -0.0000305900000000, -0.0000004300000000, 0.0000045500000000 ] - [ -0.0000005900000000, 0.0000003300000000, -0.0000134400000000 ] - [ -0.0000315200000000, -0.0000001100000000, 0.0000075200000000 ] - [ 0.0000000900000000, -0.0000001600000000, 0.0000088900000000 ] - [ -0.0004684900000000, 0.0000008700000000, 0.0000002400000000 ] - [ 0.0000002200000000, -0.0000002700000000, -0.0000166900000000 ] - [ 0.0000002800000000, -0.0000001500000000, -0.0000078300000000 ] - [ -0.0000062000000000, 0.0000002300000000, -0.0000125500000000 ] - [ -0.0000011100000000, 0.0000001900000000, -0.0000048400000000 ] - [ 0.0000001600000000, -0.0000001400000000, -0.0000059600000000 ] - [ -0.0000003400000000, 0.0000001800000000, 0.0000100700000000 ] - [ 0.0000001200000000, -0.0000001500000000, 0.0000173900000000 ] - [ -0.0000007800000000, 0.0000002000000000, -0.0000134900000000 ] - [ -0.0000002000000000, 0.0000001900000000, -0.0000151000000000 ] - [ -0.0000005800000000, 0.0000003200000000, 0.0000006200000000 ] - [ 0.0000014900000000, -0.0000002700000000, -0.0000125900000000 ] - [ -0.0000002300000000, 0.0000001900000000, -0.0000035500000000 ] - [ -0.0015340500000000, 0.0000057100000000, -0.0000192000000000 ] - [ 0.0000238800000000, 0.0000007200000000, -0.0000048900000000 ] - [ 0.0000159900000000, -0.0000001900000000, 0.0000015400000000 ] - [ 0.0000024500000000, -0.0000001800000000, -0.0000032000000000 ] - [ 0.0021021500000000, 0.0000045700000000, -0.0000115600000000 ] - [ -0.0000003200000000, 0.0000002600000000, 0.0000025200000000 ] - [ 0.1708046700000000, 0.0026747400000000, 0.0016511700000000 ] - [ 0.0200750200000000, 0.0000375700000000, 0.0002570400000000 ] - [ -0.0000003100000000, 0.0000002200000000, 0.0000041400000000 ] - [ 0.0000001200000000, -0.0000001800000000, 0.0000123400000000 ] - [ -0.0000003100000000, -0.0000001700000000, 0.0000002300000000 ] - [ -0.0000125700000000, 0.0000003200000000, 0.0000043100000000 ] - [ -0.0000005500000000, 0.0000002500000000, 0.0000161100000000 ] - [ 0.0000461400000000, -0.0000002300000000, 0.0000027800000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0000071400000000 ] - [ 0.0000004900000000, -0.0000003000000000, 0.0000064200000000 ] - [ 0.0000006400000000, -0.0000002400000000, -0.0000125200000000 ] - [ 0.0000002300000000, -0.0000001900000000, 0.0000137600000000 ] - [ -0.0000005700000000, 0.0000003100000000, 0.0000007000000000 ] - [ 0.0000002200000000, -0.0000001900000000, 0.0000050200000000 ] - [ 0.0000002400000000, -0.0000002300000000, 0.0000173900000000 ] - [ 0.0000002000000000, -0.0000001800000000, 0.0000105700000000 ] - [ -0.0000002700000000, 0.0000001800000000, -0.0000068500000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0000122800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0278399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3235697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035465200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052277500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0288485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043594300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039036500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038497400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038398000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039201300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038210100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021117200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040207200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038572100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1367608000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1270974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036724000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037668800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036898000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038365600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038352600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038323100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038475400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0279087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3316112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0285700100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038567800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039053500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039171700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037960200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043286900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039202600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039124700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038585700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019941900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046550400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038374400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1377213100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1344949800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036685800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038417500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039306800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037497000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038326100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036837600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038455300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037516400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038218000000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007000000000, -0.0000001500000000, 0.0000019500000000 ] - [ 0.0033754200000000, 0.0000094600000000, -0.0000592600000000 ] - [ -0.0000007900000000, 0.0000003000000000, 0.0000177200000000 ] - [ -0.1972097600000000, 0.0026927200000000, -0.0017825500000000 ] - [ -0.0000080400000000, 0.0000002200000000, 0.0000009000000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0000020900000000 ] - [ -0.0003780400000000, 0.0000000600000000, -0.0000056700000000 ] - [ -0.0000304700000000, -0.0000000900000000, 0.0000050900000000 ] - [ -0.0000006500000000, 0.0000003200000000, -0.0000131700000000 ] - [ 0.0000006700000000, -0.0000003000000000, 0.0000082100000000 ] - [ -0.0000002700000000, -0.0000001700000000, 0.0000091400000000 ] - [ -0.0000004000000000, 0.0000001700000000, 0.0000057800000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0000164300000000 ] - [ 0.0000002800000000, -0.0000001500000000, -0.0000075300000000 ] - [ -0.0000002000000000, 0.0000001700000000, -0.0000122900000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0000045400000000 ] - [ -0.0000255400000000, -0.0000002500000000, -0.0000055300000000 ] - [ -0.0000001700000000, 0.0000001700000000, 0.0000102700000000 ] - [ -0.0004680200000000, -0.0000000300000000, 0.0000186000000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000133100000000 ] - [ 0.0000022100000000, 0.0000001700000000, -0.0000147900000000 ] - [ 0.0031764600000000, -0.0000469900000000, -0.0000593000000000 ] - [ 0.0000006200000000, -0.0000003000000000, -0.0000122900000000 ] - [ -0.0000009200000000, 0.0000001800000000, -0.0000033800000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000121100000000 ] - [ -0.0000119600000000, 0.0000002100000000, -0.0000043100000000 ] - [ -0.0000069200000000, 0.0000003100000000, 0.0000019100000000 ] - [ -0.0014509800000000, -0.0000067400000000, -0.0000127200000000 ] - [ -0.0000002500000000, -0.0000001800000000, -0.0000009500000000 ] - [ 0.1698974900000000, -0.0026483000000000, 0.0016580500000000 ] - [ 0.0000005000000000, -0.0000003400000000, -0.0000065500000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0000121300000000 ] - [ -0.0000002600000000, 0.0000001800000000, 0.0000038900000000 ] - [ 0.0000002300000000, -0.0000001900000000, 0.0000120900000000 ] - [ 0.0000002500000000, -0.0000001800000000, -0.0000000200000000 ] - [ -0.0000005600000000, 0.0000003000000000, 0.0000038800000000 ] - [ -0.0000005200000000, 0.0000002500000000, 0.0000158700000000 ] - [ 0.0000002400000000, -0.0000001700000000, 0.0000020400000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0000073500000000 ] - [ 0.0000005100000000, -0.0000003000000000, 0.0000062400000000 ] - [ 0.0205004700000000, -0.0000032400000000, 0.0002637800000000 ] - [ 0.0000019900000000, -0.0000002000000000, 0.0000134100000000 ] - [ 0.0000006300000000, 0.0000002900000000, 0.0000004600000000 ] - [ 0.0000004100000000, -0.0000002100000000, 0.0000048000000000 ] - [ 0.0000477000000000, -0.0000001500000000, 0.0000171000000000 ] - [ 0.0000002700000000, -0.0000002100000000, 0.0000103200000000 ] - [ 0.0022594400000000, 0.0000023700000000, -0.0000142700000000 ] - [ 0.0003307400000000, 0.0000006000000000, -0.0000131000000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0032980500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0280074600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3152891900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036447400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044092700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035767700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035609500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036255500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035484600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032922900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032754700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036320100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0262629700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035642300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035471100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034286700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036973500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1363255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035722800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035620100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035616800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035541700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1229902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035609300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035609300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0053539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036431500000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0032865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0277258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035224100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3231053200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036342200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035644200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035505400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035844600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035556700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036551800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0262117900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035554800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033959400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019378100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034154600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1373207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035653500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035693800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1302540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035645800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035696300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034407200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052858500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036192200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031694800000000, 0.0000106800000000, -0.0000774500000000 ] - [ -0.0000348600000000, 0.0000002900000000, 0.0000068500000000 ] - [ 0.0003001600000000, 0.0000059100000000, 0.0000183300000000 ] - [ -0.0000071200000000, -0.0000002800000000, 0.0000045100000000 ] - [ -0.1991650500000000, 0.0026717800000000, -0.0017907400000000 ] - [ 0.0000197200000000, 0.0000005100000000, 0.0000013900000000 ] - [ -0.0003936400000000, 0.0000004200000000, -0.0000022900000000 ] - [ 0.0032875000000000, 0.0000486300000000, -0.0000464500000000 ] - [ -0.0000004000000000, 0.0000003200000000, -0.0000141300000000 ] - [ 0.0000008900000000, -0.0000002900000000, 0.0000071700000000 ] - [ 0.0000003800000000, -0.0000001700000000, 0.0000080400000000 ] - [ 0.0000022400000000, 0.0000002800000000, 0.0000047700000000 ] - [ 0.0000004800000000, -0.0000002900000000, -0.0000175100000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0000085800000000 ] - [ -0.0000001800000000, 0.0000001800000000, -0.0000133100000000 ] - [ -0.0000000500000000, 0.0000001700000000, -0.0000056300000000 ] - [ 0.0000003800000000, -0.0000001600000000, -0.0000066100000000 ] - [ -0.0000002700000000, 0.0000001700000000, 0.0000091900000000 ] - [ -0.0000001200000000, -0.0000001700000000, 0.0000165800000000 ] - [ -0.0000007500000000, 0.0000001800000000, -0.0000142400000000 ] - [ -0.0000002000000000, 0.0000001800000000, -0.0000160100000000 ] - [ 0.0000008700000000, 0.0000003100000000, -0.0000001200000000 ] - [ 0.0000006600000000, -0.0000002900000000, -0.0000133600000000 ] - [ -0.0000001100000000, 0.0000001800000000, -0.0000044600000000 ] - [ 0.0000090800000000, 0.0000003000000000, -0.0000111300000000 ] - [ 0.0205952400000000, -0.0000369000000000, 0.0002612200000000 ] - [ 0.0023754600000000, -0.0000048500000000, -0.0000077400000000 ] - [ 0.0003455300000000, -0.0000007100000000, -0.0000031200000000 ] - [ 0.1695135400000000, -0.0027073400000000, 0.0016770500000000 ] - [ 0.0000499600000000, 0.0000001800000000, 0.0000032400000000 ] - [ -0.0000080200000000, 0.0000003800000000, -0.0000047600000000 ] - [ -0.0000710300000000, 0.0000109800000000, -0.0000273400000000 ] - [ -0.0000002100000000, 0.0000001800000000, 0.0000049100000000 ] - [ 0.0000003100000000, -0.0000001900000000, 0.0000131100000000 ] - [ 0.0000003100000000, -0.0000001700000000, 0.0000009900000000 ] - [ -0.0000006500000000, 0.0000002900000000, 0.0000049200000000 ] - [ -0.0000004600000000, 0.0000002500000000, 0.0000168900000000 ] - [ -0.0000000400000000, -0.0000001800000000, 0.0000030900000000 ] - [ -0.0000001900000000, 0.0000001600000000, -0.0000063600000000 ] - [ 0.0000005700000000, -0.0000003000000000, 0.0000072200000000 ] - [ 0.0000093800000000, -0.0000002700000000, -0.0000118000000000 ] - [ 0.0000002900000000, -0.0000002000000000, 0.0000144300000000 ] - [ -0.0000004900000000, 0.0000003000000000, 0.0000014400000000 ] - [ 0.0000003400000000, -0.0000002100000000, 0.0000058000000000 ] - [ 0.0000003500000000, -0.0000002300000000, 0.0000181300000000 ] - [ 0.0000002900000000, -0.0000002000000000, 0.0000113600000000 ] - [ 0.0000001000000000, 0.0000001800000000, -0.0000060500000000 ] - [ 0.0000000700000000, 0.0000001700000000, -0.0000114200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0263455300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039643500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036603100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3199984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0287389400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036373100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039566900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039542700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039530800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1270695200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1346774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039713200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024592700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038690300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039518300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039514900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039448000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038681500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039515200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039509400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039626800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0261326100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039374900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036330700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3280804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0288140100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039009600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039318500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036427200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039196000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038903000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036408200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040348900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040300200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039688300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039263600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037723500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1344180900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040232600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1356317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037696300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038769500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038543100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039453600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037549400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039286400000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003859900000000, -0.0000003500000000, 0.0000019000000000 ] - [ -0.0000007300000000, 0.0000001900000000, 0.0000068300000000 ] - [ 0.0033137500000000, -0.0000485900000000, -0.0000332200000000 ] - [ 0.0000005700000000, -0.0000002800000000, 0.0000045600000000 ] - [ 0.0000190900000000, 0.0000003000000000, 0.0000003000000000 ] - [ -0.1991674800000000, -0.0026720500000000, -0.0017899200000000 ] - [ -0.0000008000000000, 0.0000001900000000, -0.0000034900000000 ] - [ -0.0000052000000000, -0.0000003000000000, 0.0000035900000000 ] - [ -0.0000007900000000, 0.0000003400000000, -0.0000142200000000 ] - [ 0.0003013500000000, -0.0000058900000000, 0.0000090200000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0000081600000000 ] - [ 0.0031764200000000, -0.0000106500000000, -0.0000734600000000 ] - [ 0.0000018200000000, -0.0000002900000000, -0.0000175000000000 ] - [ 0.0000001000000000, -0.0000001400000000, -0.0000086700000000 ] - [ 0.0000200300000000, -0.0000004800000000, -0.0000129300000000 ] - [ 0.0000026400000000, 0.0000000700000000, -0.0000056000000000 ] - [ -0.0000002900000000, -0.0000001400000000, -0.0000066800000000 ] - [ -0.0000002000000000, 0.0000001800000000, 0.0000092800000000 ] - [ 0.0000001800000000, -0.0000001500000000, 0.0000165900000000 ] - [ -0.0000001700000000, 0.0000001900000000, -0.0000142400000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0000159300000000 ] - [ -0.0000006600000000, 0.0000003200000000, -0.0000001400000000 ] - [ 0.0000006300000000, -0.0000002800000000, -0.0000133600000000 ] - [ 0.0000007600000000, 0.0000001800000000, -0.0000043900000000 ] - [ 0.1695410900000000, 0.0027076200000000, 0.0016660500000000 ] - [ 0.0000162300000000, 0.0000002600000000, -0.0000033900000000 ] - [ 0.0000058500000000, -0.0000002100000000, 0.0000023300000000 ] - [ 0.0000011900000000, -0.0000001700000000, -0.0000023900000000 ] - [ 0.0003214600000000, 0.0000001500000000, -0.0000007500000000 ] - [ -0.0000003100000000, 0.0000002600000000, 0.0000033300000000 ] - [ 0.0205357900000000, 0.0000367600000000, 0.0002586700000000 ] - [ 0.0023747100000000, 0.0000048100000000, -0.0000214400000000 ] - [ -0.0000002900000000, 0.0000002200000000, 0.0000049000000000 ] - [ -0.0000000500000000, -0.0000001800000000, 0.0000130900000000 ] - [ 0.0000090100000000, -0.0000002800000000, 0.0000009100000000 ] - [ -0.0000088200000000, -0.0000003900000000, 0.0000056500000000 ] - [ -0.0000004500000000, 0.0000002500000000, 0.0000168700000000 ] - [ -0.0000710600000000, -0.0000109600000000, -0.0000133300000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0000063100000000 ] - [ 0.0000005000000000, -0.0000003000000000, 0.0000072400000000 ] - [ 0.0000005300000000, -0.0000002400000000, -0.0000117000000000 ] - [ 0.0000002300000000, -0.0000001900000000, 0.0000144600000000 ] - [ -0.0000005600000000, 0.0000002900000000, 0.0000015200000000 ] - [ 0.0000002600000000, -0.0000001900000000, 0.0000058500000000 ] - [ 0.0000002800000000, -0.0000002300000000, 0.0000181400000000 ] - [ 0.0000002300000000, -0.0000001900000000, 0.0000113300000000 ] - [ -0.0000002700000000, 0.0000001800000000, -0.0000060400000000 ] - [ -0.0000002500000000, 0.0000001600000000, -0.0000114600000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0044545600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0286829100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3199137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039609000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036358400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039282700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0263442600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040256600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040267800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039534800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040221500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1346437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039589500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1270375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037732600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024281100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039481900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039485500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039568900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0044357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0287370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036242100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040459900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3279991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039528200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039271000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036470100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0261258000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040255200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036379800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039229600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040346400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040174700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039612200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1356221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039357000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038686100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039392500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1343878400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037719500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037878500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038527400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039452400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039268400000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000290200000000, 0.0000000100000000, 0.0000021900000000 ] - [ 0.0031659900000000, 0.0000491000000000, -0.0000426400000000 ] - [ -0.0000003200000000, 0.0000003100000000, 0.0000174400000000 ] - [ -0.0003773200000000, -0.0000000400000000, 0.0000059700000000 ] - [ -0.0003935700000000, -0.0000000900000000, -0.0000035000000000 ] - [ -0.0000002100000000, -0.0000001600000000, 0.0000017900000000 ] - [ -0.1982358000000000, 0.0026622300000000, -0.0017831700000000 ] - [ 0.0031578200000000, 0.0000104500000000, -0.0000656900000000 ] - [ -0.0000006200000000, 0.0000003100000000, -0.0000134500000000 ] - [ 0.0000007200000000, -0.0000003000000000, 0.0000078300000000 ] - [ 0.0000012100000000, -0.0000001800000000, 0.0000088300000000 ] - [ -0.0000003000000000, 0.0000001800000000, 0.0000054600000000 ] - [ 0.0000006400000000, -0.0000002900000000, -0.0000168300000000 ] - [ 0.0000003100000000, -0.0000001600000000, -0.0000078100000000 ] - [ -0.0000003900000000, 0.0000001800000000, -0.0000125100000000 ] - [ -0.0000001000000000, 0.0000001700000000, -0.0000049600000000 ] - [ -0.0000001300000000, -0.0000001600000000, -0.0000058900000000 ] - [ -0.0000001400000000, 0.0000001700000000, 0.0000098300000000 ] - [ -0.0000056300000000, -0.0000001700000000, 0.0000173700000000 ] - [ -0.0000001800000000, 0.0000001800000000, -0.0000135000000000 ] - [ -0.0000000600000000, 0.0000001700000000, -0.0000153900000000 ] - [ 0.0000197100000000, 0.0000002100000000, 0.0000011500000000 ] - [ 0.0000005200000000, -0.0000002900000000, -0.0000125600000000 ] - [ -0.0000001700000000, 0.0000001800000000, -0.0000038600000000 ] - [ -0.0000003400000000, 0.0000001800000000, -0.0000117100000000 ] - [ -0.0014181900000000, -0.0000070200000000, -0.0000133800000000 ] - [ 0.1706905900000000, -0.0026726300000000, 0.0016557300000000 ] - [ 0.0207415200000000, -0.0000374700000000, 0.0002635100000000 ] - [ -0.0000303900000000, 0.0000002700000000, 0.0000000800000000 ] - [ 0.0023705700000000, -0.0000044200000000, -0.0000072700000000 ] - [ -0.0000007400000000, -0.0000003300000000, -0.0000062400000000 ] - [ -0.0000009500000000, 0.0000001500000000, -0.0000117800000000 ] - [ -0.0000002400000000, 0.0000001800000000, 0.0000043400000000 ] - [ 0.0000002600000000, -0.0000001900000000, 0.0000124100000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0000002700000000 ] - [ -0.0000005400000000, 0.0000002900000000, 0.0000041800000000 ] - [ -0.0000005100000000, 0.0000002400000000, 0.0000162200000000 ] - [ 0.0000002600000000, -0.0000001800000000, 0.0000023800000000 ] - [ -0.0000002400000000, 0.0000001500000000, -0.0000070000000000 ] - [ 0.0000004900000000, -0.0000003000000000, 0.0000065300000000 ] - [ 0.0003212800000000, -0.0000005800000000, -0.0000131000000000 ] - [ 0.0000001800000000, -0.0000002100000000, 0.0000137100000000 ] - [ -0.0000004700000000, 0.0000003100000000, 0.0000007200000000 ] - [ 0.0000003100000000, -0.0000002000000000, 0.0000050600000000 ] - [ 0.0000014600000000, -0.0000002400000000, 0.0000174400000000 ] - [ 0.0000002700000000, -0.0000002000000000, 0.0000107300000000 ] - [ 0.0000168800000000, 0.0000001800000000, -0.0000067900000000 ] - [ 0.0000052900000000, 0.0000001600000000, -0.0000121300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0036005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0281046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038783000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044073900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3231167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0283303500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035677600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035779100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038791200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038778400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035642700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039440600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038782300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1374263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1267674200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038219000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047993800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038092800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039065000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038762700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038696000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038758800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038914300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0035860900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0281646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038353800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047462200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039520100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3310981300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0280567200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035657800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039705900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039598800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035797200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039706200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038921800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1383550000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1341409900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037890200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038121500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038752600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038127000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038710200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038612500000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004667900000000, -0.0000008400000000, -0.0000037200000000 ] - [ -0.0003866800000000, 0.0000004600000000, 0.0000083800000000 ] - [ -0.0000316100000000, 0.0000001200000000, 0.0000169200000000 ] - [ -0.0000304400000000, -0.0000001800000000, 0.0000053500000000 ] - [ 0.0032863400000000, 0.0000109800000000, -0.0000702600000000 ] - [ -0.0000055000000000, -0.0000001900000000, 0.0000017700000000 ] - [ 0.0031572900000000, 0.0000491800000000, -0.0000528400000000 ] - [ -0.1980728500000000, 0.0026609700000000, -0.0017770800000000 ] - [ -0.0000005100000000, 0.0000003200000000, -0.0000134400000000 ] - [ 0.0000006000000000, -0.0000002900000000, 0.0000078500000000 ] - [ 0.0000003300000000, -0.0000001700000000, 0.0000087900000000 ] - [ -0.0000009700000000, 0.0000001700000000, 0.0000054700000000 ] - [ 0.0000006900000000, -0.0000002900000000, -0.0000168200000000 ] - [ 0.0000012600000000, -0.0000001500000000, -0.0000078600000000 ] - [ -0.0000001200000000, 0.0000001800000000, -0.0000125600000000 ] - [ -0.0000003900000000, 0.0000001700000000, -0.0000049200000000 ] - [ 0.0000003300000000, -0.0000001600000000, -0.0000059400000000 ] - [ -0.0000001900000000, 0.0000001700000000, 0.0000098900000000 ] - [ -0.0000006200000000, -0.0000001700000000, 0.0000173000000000 ] - [ -0.0000003200000000, 0.0000001800000000, -0.0000135900000000 ] - [ -0.0000001500000000, 0.0000001700000000, -0.0000152800000000 ] - [ 0.0000023500000000, 0.0000003100000000, 0.0000006800000000 ] - [ 0.0000006500000000, -0.0000002900000000, -0.0000125700000000 ] - [ -0.0000003000000000, 0.0000001800000000, -0.0000037900000000 ] - [ -0.0000008400000000, 0.0000001700000000, -0.0000117500000000 ] - [ 0.1705437200000000, -0.0026717400000000, 0.0016521400000000 ] - [ 0.0207422800000000, -0.0000377000000000, 0.0002687600000000 ] - [ 0.0023712100000000, -0.0000048800000000, -0.0000129300000000 ] - [ -0.0015339100000000, -0.0000057700000000, -0.0000080800000000 ] - [ 0.0003370400000000, -0.0000002700000000, 0.0000020100000000 ] - [ -0.0000116600000000, -0.0000003600000000, -0.0000060900000000 ] - [ 0.0000474100000000, 0.0000002400000000, -0.0000113900000000 ] - [ -0.0000002600000000, 0.0000001900000000, 0.0000042500000000 ] - [ 0.0000002400000000, -0.0000001900000000, 0.0000123800000000 ] - [ 0.0000002600000000, -0.0000001700000000, 0.0000003300000000 ] - [ -0.0000005700000000, 0.0000003000000000, 0.0000042000000000 ] - [ -0.0000005200000000, 0.0000002500000000, 0.0000161800000000 ] - [ 0.0000002700000000, -0.0000001700000000, 0.0000023700000000 ] - [ -0.0000002700000000, 0.0000001500000000, -0.0000070500000000 ] - [ 0.0000005200000000, -0.0000003000000000, 0.0000065600000000 ] - [ 0.0000492900000000, -0.0000003200000000, -0.0000124600000000 ] - [ 0.0000002900000000, -0.0000002000000000, 0.0000137000000000 ] - [ -0.0000005400000000, 0.0000002900000000, 0.0000007900000000 ] - [ 0.0000003000000000, -0.0000002000000000, 0.0000050900000000 ] - [ 0.0000004300000000, -0.0000002400000000, 0.0000174400000000 ] - [ 0.0000002500000000, -0.0000002000000000, 0.0000106700000000 ] - [ 0.0000020400000000, 0.0000001700000000, -0.0000067800000000 ] - [ 0.0000006400000000, 0.0000001600000000, -0.0000121300000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0043942800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039363000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0289128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0281539100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3231436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038541600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039251700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038369100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035567400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038398800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1369039800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1268573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047889100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039461500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036813000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038591200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038440300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038542800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038486500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038626100000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0043705400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035574600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0286354500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0282327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3311369000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035655300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039406100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038719600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038394700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035573800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038275800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035538700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039522600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038345500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036696200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1378480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1342169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039354800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039300400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037873400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038551400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037868600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038568100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036989900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038628200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038381400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000220600000000, -0.0000004300000000, 0.0000027300000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0000079400000000 ] - [ -0.0015349100000000, -0.0000044200000000, 0.0000491300000000 ] - [ 0.0000006500000000, -0.0000002900000000, 0.0000055500000000 ] - [ 0.0000086700000000, 0.0000001900000000, 0.0000008600000000 ] - [ 0.1695431900000000, -0.0027563600000000, -0.0017931700000000 ] - [ 0.0000000800000000, 0.0000002000000000, -0.0000024200000000 ] - [ 0.0000000200000000, -0.0000003100000000, 0.0000046500000000 ] - [ 0.0000007100000000, 0.0000003000000000, -0.0000132300000000 ] - [ 0.0021062500000000, -0.0000148100000000, 0.0000168200000000 ] - [ 0.0000004400000000, -0.0000001700000000, 0.0000092600000000 ] - [ 0.0205006000000000, -0.0000227600000000, -0.0003514900000000 ] - [ 0.0000092400000000, -0.0000003000000000, -0.0000163600000000 ] - [ 0.0000002600000000, -0.0000001700000000, -0.0000076000000000 ] - [ 0.0003198800000000, -0.0000004300000000, -0.0000115200000000 ] - [ 0.0000491800000000, 0.0000000600000000, -0.0000044700000000 ] - [ 0.0000007000000000, -0.0000001800000000, -0.0000057600000000 ] - [ -0.0000002000000000, 0.0000001600000000, 0.0000104600000000 ] - [ -0.0000002000000000, -0.0000001700000000, 0.0000176700000000 ] - [ -0.0000000500000000, 0.0000001900000000, -0.0000132300000000 ] - [ 0.0000000800000000, 0.0000001600000000, -0.0000147300000000 ] - [ -0.0000009400000000, 0.0000003000000000, 0.0000009500000000 ] - [ 0.0000005700000000, -0.0000002600000000, -0.0000123600000000 ] - [ 0.0000003000000000, 0.0000001800000000, -0.0000032500000000 ] - [ -0.1942058200000000, 0.0028524500000000, 0.0020517200000000 ] - [ 0.0000008400000000, 0.0000003000000000, -0.0000044400000000 ] - [ 0.0000015600000000, -0.0000002100000000, 0.0000011100000000 ] - [ 0.0000004700000000, -0.0000001700000000, -0.0000036000000000 ] - [ 0.0000434900000000, 0.0000001600000000, -0.0000012300000000 ] - [ -0.0000004300000000, 0.0000002600000000, 0.0000020600000000 ] - [ 0.0027249000000000, 0.0000013800000000, 0.0000119700000000 ] - [ 0.0005267600000000, 0.0000023000000000, -0.0000131000000000 ] - [ -0.0000001400000000, 0.0000002000000000, 0.0000036500000000 ] - [ 0.0000076100000000, -0.0000002100000000, 0.0000119900000000 ] - [ 0.0000272800000000, -0.0000004200000000, -0.0000002800000000 ] - [ 0.0004208300000000, -0.0000002600000000, 0.0000054200000000 ] - [ 0.0000009800000000, 0.0000002400000000, 0.0000156700000000 ] - [ -0.0005327400000000, -0.0000561000000000, 0.0000319500000000 ] - [ -0.0000000400000000, 0.0000001200000000, -0.0000075400000000 ] - [ 0.0000005900000000, -0.0000003300000000, 0.0000059700000000 ] - [ 0.0000006800000000, -0.0000002500000000, -0.0000129500000000 ] - [ 0.0000003400000000, -0.0000002300000000, 0.0000133600000000 ] - [ -0.0000004300000000, 0.0000002800000000, 0.0000002200000000 ] - [ 0.0000004000000000, -0.0000002100000000, 0.0000046200000000 ] - [ 0.0000003500000000, -0.0000002400000000, 0.0000169700000000 ] - [ 0.0000003500000000, -0.0000001900000000, 0.0000100900000000 ] - [ -0.0000001500000000, 0.0000001500000000, -0.0000072700000000 ] - [ -0.0000001400000000, 0.0000001300000000, -0.0000127800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0035228800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037026900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034185700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038126100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1356744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037290200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037015700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034414200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047221000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1302719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038638200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036997200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037904900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037378100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2872041300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037199100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035774900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037149300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0090449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037608800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041465300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037213200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035412900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037160800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035717000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036359900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037032600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0035084600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034090600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037931000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1345828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047185900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036665300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1229726700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037557800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036943000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036743200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037708500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036874200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036687300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2789506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035560300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0093938300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035312800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037292700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041158400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036777800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036116200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035196000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036848100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036941600000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022556900000000, -0.0000127000000000, 0.0000218300000000 ] - [ -0.0000181600000000, 0.0000000600000000, 0.0000107000000000 ] - [ 0.0000247800000000, -0.0000008800000000, 0.0000214100000000 ] - [ -0.0000111200000000, -0.0000002900000000, 0.0000074100000000 ] - [ 0.0205965000000000, 0.0000548900000000, -0.0003464100000000 ] - [ 0.0000168800000000, -0.0000004100000000, 0.0000044300000000 ] - [ -0.0014185000000000, 0.0000013200000000, 0.0000355500000000 ] - [ 0.1705450500000000, 0.0027053600000000, -0.0017945200000000 ] - [ -0.0000006100000000, 0.0000003300000000, -0.0000110800000000 ] - [ 0.0000004400000000, -0.0000002900000000, 0.0000104700000000 ] - [ 0.0000002300000000, -0.0000001600000000, 0.0000114200000000 ] - [ 0.0000011600000000, 0.0000001500000000, 0.0000078700000000 ] - [ 0.0000006300000000, -0.0000002800000000, -0.0000141600000000 ] - [ 0.0000007000000000, -0.0000001500000000, -0.0000051900000000 ] - [ -0.0000006300000000, 0.0000001900000000, -0.0000100200000000 ] - [ 0.0000000200000000, 0.0000001800000000, -0.0000023500000000 ] - [ 0.0000003700000000, -0.0000001500000000, -0.0000035600000000 ] - [ 0.0000002400000000, 0.0000001800000000, 0.0000125200000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0000199000000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0000111600000000 ] - [ -0.0000002700000000, 0.0000001900000000, -0.0000126600000000 ] - [ -0.0000001500000000, 0.0000003200000000, 0.0000031900000000 ] - [ 0.0000009100000000, -0.0000002800000000, -0.0000100800000000 ] - [ 0.0000006700000000, 0.0000001900000000, -0.0000012500000000 ] - [ 0.0000010800000000, 0.0000001400000000, -0.0000144000000000 ] - [ -0.1968645700000000, -0.0027197500000000, 0.0020134800000000 ] - [ 0.0015722000000000, 0.0000220600000000, 0.0000204100000000 ] - [ 0.0004786100000000, 0.0000014500000000, -0.0000065200000000 ] - [ 0.0027092200000000, -0.0000502700000000, 0.0000515000000000 ] - [ 0.0000379500000000, 0.0000004900000000, -0.0000000400000000 ] - [ 0.0000513400000000, -0.0000007100000000, -0.0000089000000000 ] - [ 0.0000104600000000, -0.0000009900000000, -0.0000128600000000 ] - [ -0.0000002800000000, 0.0000001900000000, 0.0000016800000000 ] - [ 0.0000002500000000, -0.0000001800000000, 0.0000097400000000 ] - [ 0.0000003900000000, -0.0000001600000000, -0.0000024600000000 ] - [ -0.0000007000000000, 0.0000003000000000, 0.0000014800000000 ] - [ -0.0000004800000000, 0.0000002600000000, 0.0000136200000000 ] - [ 0.0000006200000000, -0.0000001700000000, -0.0000003200000000 ] - [ -0.0000002300000000, 0.0000001600000000, -0.0000096200000000 ] - [ 0.0000005400000000, -0.0000002900000000, 0.0000038400000000 ] - [ 0.0000078300000000, -0.0000002000000000, -0.0000149800000000 ] - [ 0.0000002500000000, -0.0000001900000000, 0.0000110400000000 ] - [ -0.0000005100000000, 0.0000003000000000, -0.0000020200000000 ] - [ 0.0000002900000000, -0.0000001900000000, 0.0000023800000000 ] - [ 0.0000003000000000, -0.0000002200000000, 0.0000148400000000 ] - [ 0.0000002600000000, -0.0000001900000000, 0.0000080000000000 ] - [ 0.0000002400000000, 0.0000001900000000, -0.0000093100000000 ] - [ 0.0000001000000000, 0.0000001800000000, -0.0000148300000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0053423200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1344270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1378915000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037648400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038899400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038234500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037949300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037575700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035196400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038241900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2908160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037442900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036598000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038067800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038060500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036413400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038062300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038163200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037196800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037887500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0053475300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038904800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040190200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035229900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1270640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1368502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034790600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038467900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037826400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038714800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037648400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2825377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0086934900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0090845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036186900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037804000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037859300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037127900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036471800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037008600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037925800000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003386300000000, -0.0000006100000000, 0.0000055100000000 ] - [ -0.0014158600000000, 0.0000010600000000, 0.0000461800000000 ] - [ 0.0000149300000000, 0.0000003300000000, 0.0000205100000000 ] - [ -0.0000062900000000, -0.0000004000000000, 0.0000082200000000 ] - [ 0.0023747200000000, -0.0000112000000000, 0.0000194600000000 ] - [ 0.0000070100000000, -0.0000001700000000, 0.0000046600000000 ] - [ 0.1706903600000000, 0.0027071400000000, -0.0018002800000000 ] - [ 0.0207435300000000, 0.0000543600000000, -0.0003406300000000 ] - [ -0.0000006300000000, 0.0000003200000000, -0.0000107900000000 ] - [ 0.0000002100000000, -0.0000002900000000, 0.0000107600000000 ] - [ -0.0000000700000000, -0.0000001700000000, 0.0000116900000000 ] - [ 0.0000006600000000, 0.0000001800000000, 0.0000081300000000 ] - [ 0.0000005500000000, -0.0000002800000000, -0.0000138800000000 ] - [ 0.0000001400000000, -0.0000001500000000, -0.0000049200000000 ] - [ 0.0000000500000000, 0.0000001900000000, -0.0000097400000000 ] - [ -0.0000001500000000, 0.0000001700000000, -0.0000020500000000 ] - [ 0.0000005500000000, -0.0000001500000000, -0.0000033000000000 ] - [ 0.0000001200000000, 0.0000001800000000, 0.0000127800000000 ] - [ -0.0000003500000000, -0.0000001700000000, 0.0000201600000000 ] - [ 0.0000002700000000, 0.0000001800000000, -0.0000109000000000 ] - [ -0.0000000600000000, 0.0000001900000000, -0.0000123800000000 ] - [ 0.0000077600000000, 0.0000003200000000, 0.0000032500000000 ] - [ 0.0000015100000000, -0.0000002800000000, -0.0000098000000000 ] - [ -0.0000002900000000, 0.0000001900000000, -0.0000008700000000 ] - [ 0.0000009800000000, 0.0000001700000000, -0.0000146100000000 ] - [ 0.0015690400000000, -0.0000543700000000, 0.0000495400000000 ] - [ -0.1968323500000000, -0.0027218000000000, 0.0020146500000000 ] - [ 0.0014838800000000, 0.0000240800000000, 0.0000156400000000 ] - [ 0.0005406900000000, -0.0000008900000000, -0.0000016200000000 ] - [ 0.0004603300000000, 0.0000020000000000, -0.0000007200000000 ] - [ 0.0000084000000000, -0.0000003600000000, -0.0000091600000000 ] - [ -0.0000167800000000, 0.0000002000000000, -0.0000147600000000 ] - [ -0.0000002500000000, 0.0000001900000000, 0.0000014200000000 ] - [ 0.0000002900000000, -0.0000001800000000, 0.0000095000000000 ] - [ 0.0000003000000000, -0.0000001600000000, -0.0000027200000000 ] - [ -0.0000003700000000, 0.0000003000000000, 0.0000012300000000 ] - [ -0.0000004800000000, 0.0000002500000000, 0.0000133600000000 ] - [ -0.0000000200000000, -0.0000001700000000, -0.0000005700000000 ] - [ -0.0000002000000000, 0.0000001600000000, -0.0000099200000000 ] - [ 0.0000005800000000, -0.0000002900000000, 0.0000036000000000 ] - [ 0.0000275000000000, 0.0000001000000000, -0.0000150200000000 ] - [ 0.0000003800000000, -0.0000002000000000, 0.0000108300000000 ] - [ -0.0000005000000000, 0.0000003000000000, -0.0000022800000000 ] - [ 0.0000003000000000, -0.0000001900000000, 0.0000021000000000 ] - [ 0.0000003100000000, -0.0000002300000000, 0.0000145900000000 ] - [ 0.0000002800000000, -0.0000001900000000, 0.0000077200000000 ] - [ 0.0000002800000000, 0.0000002000000000, -0.0000095000000000 ] - [ 0.0000001100000000, 0.0000001800000000, -0.0000150700000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0036613500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036967000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049947000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1384116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1342328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035893800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038374400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035640900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039663100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035784800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038996300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2909348700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038008900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038791800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037925500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037336300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038744700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038820000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037237300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038836100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038661500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0036467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019838200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038627100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036958700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039367000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1373706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1268454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035437200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038518200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035608500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038518400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038349000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039839400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037052600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084021600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2826477800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0086585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036889500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037693600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038512900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038566300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037684800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036761400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038471200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038635400000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000505800000000, -0.0000002800000000, 0.0000045300000000 ] - [ 0.1709386700000000, 0.0027102100000000, -0.0017910500000000 ] - [ 0.0000015700000000, 0.0000003000000000, 0.0000204300000000 ] - [ -0.0014512300000000, 0.0000007800000000, 0.0000416400000000 ] - [ 0.0003445300000000, -0.0000002400000000, 0.0000046300000000 ] - [ 0.0000008900000000, -0.0000001600000000, 0.0000047800000000 ] - [ 0.0207419900000000, 0.0000553500000000, -0.0003472900000000 ] - [ 0.0023713100000000, -0.0000117000000000, 0.0000229400000000 ] - [ -0.0000001700000000, 0.0000003300000000, -0.0000106500000000 ] - [ 0.0000008500000000, -0.0000002900000000, 0.0000108200000000 ] - [ 0.0000001700000000, -0.0000001700000000, 0.0000117800000000 ] - [ -0.0000003700000000, 0.0000001800000000, 0.0000082400000000 ] - [ 0.0000005300000000, -0.0000002800000000, -0.0000138700000000 ] - [ -0.0000006800000000, -0.0000001500000000, -0.0000048000000000 ] - [ -0.0000001600000000, 0.0000001900000000, -0.0000095100000000 ] - [ -0.0000002500000000, 0.0000001800000000, -0.0000019400000000 ] - [ -0.0000009100000000, -0.0000001500000000, -0.0000031600000000 ] - [ 0.0000007000000000, 0.0000001800000000, 0.0000128000000000 ] - [ -0.0000109900000000, -0.0000002400000000, 0.0000202900000000 ] - [ 0.0000001500000000, 0.0000001900000000, -0.0000107800000000 ] - [ -0.0000000600000000, 0.0000001800000000, -0.0000123400000000 ] - [ -0.0000091200000000, 0.0000001800000000, 0.0000036500000000 ] - [ 0.0000005400000000, -0.0000002800000000, -0.0000096000000000 ] - [ -0.0000000800000000, 0.0000002000000000, -0.0000008600000000 ] - [ -0.0000001100000000, 0.0000001800000000, -0.0000146900000000 ] - [ 0.0004776700000000, 0.0000002500000000, -0.0000051800000000 ] - [ 0.0014815000000000, -0.0000554000000000, 0.0000557800000000 ] - [ -0.1970812500000000, -0.0027255300000000, 0.0020104600000000 ] - [ 0.0000563500000000, -0.0000004900000000, -0.0000035200000000 ] - [ 0.0016013200000000, 0.0000246700000000, 0.0000219600000000 ] - [ 0.0000020100000000, -0.0000003300000000, -0.0000091900000000 ] - [ -0.0000006400000000, 0.0000001900000000, -0.0000147600000000 ] - [ -0.0000002300000000, 0.0000001900000000, 0.0000013600000000 ] - [ 0.0000003000000000, -0.0000001800000000, 0.0000094200000000 ] - [ 0.0000003300000000, -0.0000001600000000, -0.0000027300000000 ] - [ -0.0000005300000000, 0.0000003000000000, 0.0000010900000000 ] - [ -0.0000004700000000, 0.0000002500000000, 0.0000132300000000 ] - [ 0.0000003700000000, -0.0000001700000000, -0.0000006600000000 ] - [ -0.0000001700000000, 0.0000001600000000, -0.0000099700000000 ] - [ 0.0000005600000000, -0.0000002900000000, 0.0000035100000000 ] - [ 0.0004219800000000, 0.0000018600000000, -0.0000147900000000 ] - [ 0.0000001500000000, -0.0000002000000000, 0.0000106500000000 ] - [ -0.0000003100000000, 0.0000003100000000, -0.0000022800000000 ] - [ 0.0000003200000000, -0.0000001900000000, 0.0000020200000000 ] - [ 0.0000024200000000, -0.0000002100000000, 0.0000144700000000 ] - [ 0.0000003000000000, -0.0000002000000000, 0.0000076300000000 ] - [ 0.0000520900000000, 0.0000002700000000, -0.0000093900000000 ] - [ 0.0000076100000000, 0.0000002300000000, -0.0000151200000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0035924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1383390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019585200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1341430600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035697600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038675900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038584800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038657200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035869500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038974100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2907725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038801100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037893800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038806000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037320700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038711600000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0035794300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1372708900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020299800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1267680700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047567000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035448200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038340500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035603300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039275200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038352100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035577600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038791400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035427900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042640300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038530000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038362000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037048000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0083560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2824616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0088894700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038688000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037705700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038519100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038516300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038580300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036776400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038651900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038708900000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0205115000000000, 0.0000227600000000, -0.0003555500000000 ] - [ -0.0000133300000000, 0.0000002600000000, 0.0000078500000000 ] - [ 0.0021012700000000, 0.0000147500000000, 0.0000262100000000 ] - [ -0.0000000800000000, -0.0000002700000000, 0.0000055600000000 ] - [ 0.1695143800000000, 0.0027559900000000, -0.0017941800000000 ] - [ 0.0003209000000000, 0.0000004900000000, 0.0000029100000000 ] - [ -0.0000305800000000, 0.0000004700000000, -0.0000013900000000 ] - [ -0.0015342500000000, 0.0000043900000000, 0.0000361400000000 ] - [ -0.0000004000000000, 0.0000003300000000, -0.0000131500000000 ] - [ 0.0000021200000000, -0.0000002800000000, 0.0000082800000000 ] - [ 0.0000004200000000, -0.0000001700000000, 0.0000092300000000 ] - [ 0.0000478700000000, 0.0000002800000000, 0.0000058800000000 ] - [ 0.0000008800000000, -0.0000002800000000, -0.0000164000000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0000074900000000 ] - [ 0.0000007100000000, 0.0000001900000000, -0.0000122300000000 ] - [ -0.0000002800000000, 0.0000001800000000, -0.0000045600000000 ] - [ 0.0000002600000000, -0.0000001400000000, -0.0000056500000000 ] - [ 0.0000000500000000, 0.0000001800000000, 0.0000103400000000 ] - [ -0.0000003300000000, -0.0000001600000000, 0.0000177000000000 ] - [ 0.0000002400000000, 0.0000001900000000, -0.0000132300000000 ] - [ 0.0000007600000000, 0.0000001900000000, -0.0000148500000000 ] - [ -0.0000004600000000, 0.0000003200000000, 0.0000009700000000 ] - [ 0.0000011300000000, -0.0000002800000000, -0.0000122600000000 ] - [ 0.0000001700000000, 0.0000001900000000, -0.0000033200000000 ] - [ 0.0000429400000000, 0.0000004400000000, -0.0000121900000000 ] - [ 0.0027104900000000, -0.0000013600000000, 0.0000143000000000 ] - [ 0.0005408200000000, -0.0000024000000000, 0.0000002900000000 ] - [ 0.0000563900000000, -0.0000005300000000, -0.0000037700000000 ] - [ -0.1941820800000000, -0.0028518100000000, 0.0020619200000000 ] - [ 0.0000090500000000, 0.0000001900000000, 0.0000021400000000 ] - [ 0.0004232100000000, 0.0000003800000000, -0.0000048800000000 ] - [ -0.0005288400000000, 0.0000559800000000, 0.0000179100000000 ] - [ -0.0000001800000000, 0.0000002000000000, 0.0000037600000000 ] - [ 0.0000003700000000, -0.0000001800000000, 0.0000118600000000 ] - [ 0.0000003700000000, -0.0000001700000000, -0.0000002400000000 ] - [ 0.0000016400000000, 0.0000003000000000, 0.0000036700000000 ] - [ -0.0000004100000000, 0.0000002500000000, 0.0000156800000000 ] - [ -0.0000001800000000, -0.0000001800000000, 0.0000018700000000 ] - [ -0.0000001600000000, 0.0000001500000000, -0.0000075100000000 ] - [ 0.0000005900000000, -0.0000003000000000, 0.0000060100000000 ] - [ 0.0000020300000000, -0.0000002600000000, -0.0000128800000000 ] - [ 0.0000003300000000, -0.0000001900000000, 0.0000132700000000 ] - [ -0.0000004300000000, 0.0000003000000000, 0.0000002700000000 ] - [ 0.0000003400000000, -0.0000001800000000, 0.0000045800000000 ] - [ 0.0000003700000000, -0.0000002300000000, 0.0000169400000000 ] - [ 0.0000003300000000, -0.0000001900000000, 0.0000101300000000 ] - [ -0.0000001200000000, 0.0000001800000000, -0.0000072300000000 ] - [ -0.0000001000000000, 0.0000001600000000, -0.0000126700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1303121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046716300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1356916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038360900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019414000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036796200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034310400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036694600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037430200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0090530200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040026800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2872080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036571900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037174700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036353800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035386200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036575800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037248500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036384800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037045700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1230182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046927800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034108300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1346082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038677300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038079100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033938000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036955700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034213900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037512500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037591100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036902400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036720200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034022500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036801000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037696800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036723600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035667400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0094001500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2789752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104236500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035294000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035200100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036220300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035483100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036875100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036992500000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000083100000000, -0.0000001600000000, 0.0000042900000000 ] - [ 0.0201327700000000, 0.0000545500000000, -0.0003384800000000 ] - [ 0.0000002700000000, 0.0000003100000000, 0.0000202300000000 ] - [ 0.1698988900000000, 0.0026849600000000, -0.0018083600000000 ] - [ 0.0000507700000000, 0.0000001100000000, 0.0000036100000000 ] - [ 0.0000005100000000, -0.0000001600000000, 0.0000047000000000 ] - [ 0.0023706100000000, -0.0000098600000000, 0.0000156300000000 ] - [ 0.0003376600000000, -0.0000006600000000, 0.0000083200000000 ] - [ -0.0000004100000000, 0.0000003200000000, -0.0000108500000000 ] - [ 0.0000005700000000, -0.0000002900000000, 0.0000107500000000 ] - [ 0.0000005500000000, -0.0000001700000000, 0.0000117000000000 ] - [ -0.0000000600000000, 0.0000001800000000, 0.0000081300000000 ] - [ 0.0000008900000000, -0.0000002800000000, -0.0000137900000000 ] - [ 0.0000006300000000, -0.0000001500000000, -0.0000048600000000 ] - [ -0.0000003500000000, 0.0000001800000000, -0.0000096300000000 ] - [ -0.0000003700000000, 0.0000001700000000, -0.0000019700000000 ] - [ -0.0000007300000000, -0.0000001700000000, -0.0000034100000000 ] - [ -0.0000003500000000, 0.0000001800000000, 0.0000128200000000 ] - [ 0.0000456900000000, -0.0000006600000000, 0.0000200500000000 ] - [ 0.0000006300000000, 0.0000001800000000, -0.0000109300000000 ] - [ -0.0000008200000000, 0.0000001900000000, -0.0000123300000000 ] - [ -0.0000709600000000, 0.0000032900000000, 0.0000528000000000 ] - [ 0.0000006600000000, -0.0000002800000000, -0.0000097400000000 ] - [ -0.0000000100000000, 0.0000001900000000, -0.0000008400000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000146200000000 ] - [ 0.0000378200000000, 0.0000000400000000, -0.0000067000000000 ] - [ 0.0004609300000000, -0.0000003100000000, 0.0000007500000000 ] - [ 0.0015997000000000, -0.0000525800000000, 0.0000521800000000 ] - [ 0.0000097500000000, -0.0000002100000000, -0.0000033500000000 ] - [ -0.1943448600000000, -0.0027070000000000, 0.0020040800000000 ] - [ 0.0000009000000000, -0.0000003300000000, -0.0000092000000000 ] - [ -0.0000006500000000, 0.0000001800000000, -0.0000148300000000 ] - [ -0.0000003100000000, 0.0000001900000000, 0.0000014200000000 ] - [ 0.0000002100000000, -0.0000001800000000, 0.0000095900000000 ] - [ 0.0000002300000000, -0.0000001700000000, -0.0000025900000000 ] - [ -0.0000006000000000, 0.0000003100000000, 0.0000012700000000 ] - [ -0.0000005800000000, 0.0000002500000000, 0.0000133600000000 ] - [ 0.0000002000000000, -0.0000001700000000, -0.0000005300000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0000099000000000 ] - [ 0.0000004700000000, -0.0000002900000000, 0.0000035500000000 ] - [ -0.0005310200000000, 0.0000266900000000, 0.0000198600000000 ] - [ 0.0000005700000000, -0.0000002000000000, 0.0000109200000000 ] - [ -0.0000008800000000, 0.0000002900000000, -0.0000021700000000 ] - [ 0.0000003100000000, -0.0000002000000000, 0.0000021400000000 ] - [ -0.0000003000000000, -0.0000001500000000, 0.0000146100000000 ] - [ 0.0000001900000000, -0.0000002000000000, 0.0000077300000000 ] - [ 0.0000110600000000, 0.0000012400000000, -0.0000103000000000 ] - [ -0.0000179500000000, 0.0000005300000000, -0.0000150800000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0035812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1344160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1373665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039779800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047898000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035944400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035911800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039763900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039012600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038729200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038293500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041492100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088646000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2929431000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037212600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038846400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038841100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038198800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038804700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038891300000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0035661400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1270025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1362760500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039397000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039316100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038536400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038353800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039307600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038561800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035430700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039193700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038562800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037054300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041190300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2846515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038647200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038600700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037716100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038527600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036799200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038515400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038893300000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014557600000000, -0.0000014100000000, 0.0000374200000000 ] - [ -0.0000003600000000, 0.0000001900000000, 0.0000101600000000 ] - [ 0.1708039600000000, -0.0027086200000000, -0.0017826600000000 ] - [ -0.0000000300000000, -0.0000002900000000, 0.0000075900000000 ] - [ -0.0000091600000000, 0.0000003500000000, 0.0000034600000000 ] - [ 0.0205365700000000, -0.0000551800000000, -0.0003447900000000 ] - [ -0.0000016400000000, 0.0000001800000000, 0.0000000300000000 ] - [ -0.0000108600000000, -0.0000002200000000, 0.0000069200000000 ] - [ -0.0000004100000000, 0.0000003300000000, -0.0000110800000000 ] - [ 0.0000280800000000, 0.0000008800000000, 0.0000120100000000 ] - [ 0.0000002800000000, -0.0000001700000000, 0.0000114800000000 ] - [ 0.0022592600000000, 0.0000125200000000, 0.0000257800000000 ] - [ 0.0000015500000000, -0.0000002700000000, -0.0000140100000000 ] - [ 0.0000004100000000, -0.0000001400000000, -0.0000051600000000 ] - [ 0.0000167100000000, 0.0000004300000000, -0.0000097900000000 ] - [ 0.0000017800000000, 0.0000002000000000, -0.0000021800000000 ] - [ -0.0000002200000000, -0.0000001500000000, -0.0000035900000000 ] - [ -0.0000002600000000, 0.0000001800000000, 0.0000126900000000 ] - [ -0.0000002000000000, -0.0000001700000000, 0.0000199100000000 ] - [ -0.0000001100000000, 0.0000001800000000, -0.0000111900000000 ] - [ 0.0000003100000000, 0.0000001900000000, -0.0000124900000000 ] - [ -0.0000004700000000, 0.0000003200000000, 0.0000033200000000 ] - [ 0.0000002700000000, -0.0000003000000000, -0.0000099700000000 ] - [ -0.0000003100000000, 0.0000001900000000, -0.0000010500000000 ] - [ 0.0027220100000000, 0.0000498000000000, 0.0000402000000000 ] - [ 0.0000502600000000, 0.0000001900000000, -0.0000063400000000 ] - [ 0.0000081300000000, -0.0000002600000000, -0.0000009900000000 ] - [ 0.0000017500000000, -0.0000001800000000, -0.0000058100000000 ] - [ 0.0004230300000000, -0.0000019300000000, -0.0000026700000000 ] - [ -0.0000000700000000, 0.0000002500000000, -0.0000002000000000 ] - [ -0.1971546200000000, 0.0027237900000000, 0.0020118400000000 ] - [ 0.0017138100000000, -0.0000220600000000, 0.0000077000000000 ] - [ -0.0000001900000000, 0.0000002000000000, 0.0000015400000000 ] - [ 0.0000008100000000, -0.0000001700000000, 0.0000097500000000 ] - [ 0.0000008200000000, -0.0000001600000000, -0.0000024400000000 ] - [ 0.0000518300000000, 0.0000007000000000, 0.0000013000000000 ] - [ -0.0000003900000000, 0.0000002500000000, 0.0000135100000000 ] - [ 0.0000116300000000, 0.0000009900000000, 0.0000011100000000 ] - [ -0.0000001800000000, 0.0000001500000000, -0.0000097000000000 ] - [ 0.0000007400000000, -0.0000002900000000, 0.0000037500000000 ] - [ 0.0000007200000000, -0.0000002500000000, -0.0000150700000000 ] - [ 0.0000003100000000, -0.0000002000000000, 0.0000110900000000 ] - [ -0.0000004700000000, 0.0000002700000000, -0.0000019400000000 ] - [ 0.0000003800000000, -0.0000002000000000, 0.0000023600000000 ] - [ 0.0000003100000000, -0.0000002300000000, 0.0000147900000000 ] - [ 0.0000003300000000, -0.0000002100000000, 0.0000078300000000 ] - [ -0.0000002000000000, 0.0000001800000000, -0.0000094800000000 ] - [ -0.0000001500000000, 0.0000001700000000, -0.0000149600000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0020566900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037831500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1377811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1343982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040458100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0053126500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038893500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038814400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038460200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037930700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038884600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038739100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038199400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093444400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038077000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2906831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036340900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037391900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038832900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037128200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037333500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037960000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038059700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037842300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0021334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1366989200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034879500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1270315200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037881000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037981300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034714200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037552000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053258700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038441200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038038300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037765100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034704300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038382100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037726700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037569800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0090894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037814000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2823861600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089096100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041910100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036922400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037722500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036002200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037031100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037833900000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1698740300000000, -0.0026851200000000, -0.0018121400000000 ] - [ 0.0000006600000000, 0.0000001900000000, 0.0000103400000000 ] - [ 0.0200758400000000, -0.0000539300000000, -0.0003286000000000 ] - [ 0.0000004800000000, -0.0000002900000000, 0.0000078000000000 ] - [ -0.0000700600000000, -0.0000027600000000, 0.0000525800000000 ] - [ 0.0023751200000000, 0.0000097600000000, 0.0000203800000000 ] - [ -0.0000011900000000, 0.0000002100000000, -0.0000000200000000 ] - [ 0.0000479100000000, 0.0000001700000000, 0.0000068500000000 ] - [ -0.0000006100000000, 0.0000003300000000, -0.0000109000000000 ] - [ 0.0000148500000000, -0.0000003100000000, 0.0000110000000000 ] - [ 0.0000004200000000, -0.0000001700000000, 0.0000116500000000 ] - [ 0.0003303300000000, 0.0000005200000000, 0.0000093200000000 ] - [ 0.0000008800000000, -0.0000002900000000, -0.0000138600000000 ] - [ 0.0000003500000000, -0.0000001500000000, -0.0000050200000000 ] - [ 0.0000064100000000, 0.0000001900000000, -0.0000097900000000 ] - [ 0.0000003900000000, 0.0000001700000000, -0.0000020300000000 ] - [ -0.0000002400000000, -0.0000001600000000, -0.0000034100000000 ] - [ 0.0000001600000000, 0.0000001700000000, 0.0000128400000000 ] - [ 0.0000003000000000, -0.0000001600000000, 0.0000201500000000 ] - [ -0.0000002400000000, 0.0000001900000000, -0.0000109300000000 ] - [ 0.0000001500000000, 0.0000001800000000, -0.0000122900000000 ] - [ -0.0000011700000000, 0.0000003100000000, 0.0000034800000000 ] - [ 0.0000004900000000, -0.0000002800000000, -0.0000098700000000 ] - [ -0.0000011500000000, 0.0000001800000000, -0.0000008200000000 ] - [ 0.0005266000000000, 0.0000008300000000, -0.0000126500000000 ] - [ 0.0000102400000000, -0.0000007100000000, -0.0000073800000000 ] - [ -0.0000162100000000, -0.0000005900000000, -0.0000012100000000 ] - [ -0.0000000900000000, -0.0000002400000000, -0.0000059600000000 ] - [ -0.0005267500000000, -0.0000267100000000, 0.0000318000000000 ] - [ -0.0000008300000000, 0.0000002300000000, -0.0000003000000000 ] - [ 0.0017122800000000, 0.0000512400000000, 0.0000483500000000 ] - [ -0.1943513600000000, 0.0027073800000000, 0.0019907300000000 ] - [ -0.0000002400000000, 0.0000002000000000, 0.0000014600000000 ] - [ 0.0000006100000000, -0.0000001800000000, 0.0000096000000000 ] - [ 0.0000006300000000, -0.0000001800000000, -0.0000026200000000 ] - [ 0.0000072800000000, 0.0000003400000000, 0.0000012500000000 ] - [ -0.0000003900000000, 0.0000002500000000, 0.0000134000000000 ] - [ -0.0000173600000000, -0.0000001700000000, -0.0000005800000000 ] - [ -0.0000001700000000, 0.0000001400000000, -0.0000098600000000 ] - [ 0.0000005600000000, -0.0000003100000000, 0.0000036100000000 ] - [ 0.0000005800000000, -0.0000002500000000, -0.0000152000000000 ] - [ 0.0000003100000000, -0.0000002000000000, 0.0000109500000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0000021400000000 ] - [ 0.0000003300000000, -0.0000002000000000, 0.0000022100000000 ] - [ 0.0000003200000000, -0.0000002300000000, 0.0000146800000000 ] - [ 0.0000002900000000, -0.0000002000000000, 0.0000077600000000 ] - [ -0.0000000600000000, 0.0000001600000000, -0.0000095400000000 ] - [ -0.0000002000000000, 0.0000001500000000, -0.0000150700000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.1373490700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038604800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1345191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023759400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039454400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038809900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039719600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035827200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039712200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039560700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038985300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038630700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039579000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038794800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2930132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038143500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038744400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038881400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037282300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036955900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038714900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037282500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038592300000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.1362655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1270797200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024667300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039387800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036257200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039227700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038534100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038511500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039157800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039325200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038331200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038628200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0086058700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2847117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037678600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038563000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036737600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038480400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037773400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038589800000000 ]