# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2ef768b6-d0a9-4e99-9e22-da426f32f1da/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 BAsPbO5 / P3_1 (144) / materials id 22430](https://mdr.nims.go.jp/datasets/cf0c5e9a-d02a-48c7-9f4b-167750bc5213) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3_1" number: 144 Hall_symbol: "P 31"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.147803660000000, -0.000000070000000, 0.000000000000000 ] # a - [ -3.573901780000000, 6.190179570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.908464050000000 ] # c points: - symbol: B # 1 coordinates: [ 0.108446720000000, 0.015033390000000, 0.432029380000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.984966610000000, 0.093413310000000, 0.765362720000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.906586690000000, 0.891553280000000, 0.098696050000000 ] mass: 10.811000 - symbol: O # 4 coordinates: [ 0.986598220000000, 0.941238390000000, 0.902162260000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.954640160000000, 0.013401780000000, 0.568828930000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.058761610000000, 0.045359840000000, 0.235495590000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.165362930000000, 0.575451610000000, 0.126697100000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.424548390000000, 0.589911310000000, 0.460030440000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.410088690000000, 0.834637070000000, 0.793363770000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.815406070000000, 0.154917140000000, 0.812536070000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.339511060000000, 0.184593930000000, 0.479202740000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.845082860000000, 0.660488940000000, 0.145869400000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.530669050000000, 0.136049000000000, 0.108768920000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.605379940000000, 0.469330950000000, 0.775435590000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.863951000000000, 0.394620060000000, 0.442102260000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.682859420000000, 0.867704470000000, 0.115051720000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.184845060000000, 0.317140580000000, 0.781718380000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.132295530000000, 0.815154940000000, 0.448385050000000 ] mass: 15.999400 - symbol: As # 19 coordinates: [ 0.005450330000000, 0.596633150000000, 0.290157240000000 ] mass: 74.921600 - symbol: As # 20 coordinates: [ 0.403366850000000, 0.408817180000000, 0.623490580000000 ] mass: 74.921600 - symbol: As # 21 coordinates: [ 0.591182820000000, 0.994549670000000, 0.956823910000000 ] mass: 74.921600 - symbol: Pb # 22 coordinates: [ 0.398226660000000, 0.400147720000000, 0.122230640000000 ] mass: 207.200000 - symbol: Pb # 23 coordinates: [ 0.599852280000000, 0.998078950000000, 0.455563970000000 ] mass: 207.200000 - symbol: Pb # 24 coordinates: [ 0.001921050000000, 0.601773340000000, 0.788897310000000 ] mass: 207.200000 reciprocal_lattice: # without 2pi - [ 0.139903116148845, 0.080773100388734, 0.000000000000000 ] # a* - [ 0.000000001582057, 0.161546203037550, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.144749975213376 ] # c*unit_cell: lattice: - [ 7.147803660000000, -0.000000070000000, 0.000000000000000 ] # a - [ -3.573901780000000, 6.190179570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.908464050000000 ] # c points: - symbol: B # 1 coordinates: [ 0.108446720000000, 0.015033390000000, 0.432029380000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.984966610000000, 0.093413310000000, 0.765362720000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.906586690000000, 0.891553280000000, 0.098696050000000 ] mass: 10.811000 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.986598220000000, 0.941238390000000, 0.902162260000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.954640160000000, 0.013401780000000, 0.568828930000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.058761610000000, 0.045359840000000, 0.235495590000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.165362930000000, 0.575451610000000, 0.126697100000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.424548390000000, 0.589911310000000, 0.460030440000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.410088690000000, 0.834637070000000, 0.793363770000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.815406070000000, 0.154917140000000, 0.812536070000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.339511060000000, 0.184593930000000, 0.479202740000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.845082860000000, 0.660488940000000, 0.145869400000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.530669050000000, 0.136049000000000, 0.108768920000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.605379940000000, 0.469330950000000, 0.775435590000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.863951000000000, 0.394620060000000, 0.442102260000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.682859420000000, 0.867704470000000, 0.115051720000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.184845060000000, 0.317140580000000, 0.781718380000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.132295530000000, 0.815154940000000, 0.448385050000000 ] mass: 15.999400 reduced_to: 18 - symbol: As # 19 coordinates: [ 0.005450330000000, 0.596633150000000, 0.290157240000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 20 coordinates: [ 0.403366850000000, 0.408817180000000, 0.623490580000000 ] mass: 74.921600 reduced_to: 20 - symbol: As # 21 coordinates: [ 0.591182820000000, 0.994549670000000, 0.956823910000000 ] mass: 74.921600 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.398226660000000, 0.400147720000000, 0.122230640000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 23 coordinates: [ 0.599852280000000, 0.998078950000000, 0.455563970000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.001921050000000, 0.601773340000000, 0.788897310000000 ] mass: 207.200000 reduced_to: 24supercell: lattice: - [ 7.147803660000000, -0.000000070000000, 0.000000000000000 ] # a - [ -3.573901780000000, 6.190179570000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.816928100000000 ] # c points: - symbol: B # 1 coordinates: [ 0.108446720000000, 0.015033390000000, 0.216014690000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.108446720000000, 0.015033390000000, 0.716014690000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 3 coordinates: [ 0.984966610000000, 0.093413310000000, 0.382681360000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.984966610000000, 0.093413310000000, 0.882681360000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 5 coordinates: [ 0.906586690000000, 0.891553280000000, 0.049348025000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.906586690000000, 0.891553280000000, 0.549348025000000 ] mass: 10.811000 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.986598220000000, 0.941238390000000, 0.451081130000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.986598220000000, 0.941238390000000, 0.951081130000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.954640160000000, 0.013401780000000, 0.284414465000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.954640160000000, 0.013401780000000, 0.784414465000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.058761610000000, 0.045359840000000, 0.117747795000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.058761610000000, 0.045359840000000, 0.617747795000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.165362930000000, 0.575451610000000, 0.063348550000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.165362930000000, 0.575451610000000, 0.563348550000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.424548390000000, 0.589911310000000, 0.230015220000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.424548390000000, 0.589911310000000, 0.730015220000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.410088690000000, 0.834637070000000, 0.396681885000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.410088690000000, 0.834637070000000, 0.896681885000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.815406070000000, 0.154917140000000, 0.406268035000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.815406070000000, 0.154917140000000, 0.906268035000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.339511060000000, 0.184593930000000, 0.239601370000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.339511060000000, 0.184593930000000, 0.739601370000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.845082860000000, 0.660488940000000, 0.072934700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.845082860000000, 0.660488940000000, 0.572934700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.530669050000000, 0.136049000000000, 0.054384460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.530669050000000, 0.136049000000000, 0.554384460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.605379940000000, 0.469330950000000, 0.387717795000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.605379940000000, 0.469330950000000, 0.887717795000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.863951000000000, 0.394620060000000, 0.221051130000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.863951000000000, 0.394620060000000, 0.721051130000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.682859420000000, 0.867704470000000, 0.057525860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.682859420000000, 0.867704470000000, 0.557525860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.184845060000000, 0.317140580000000, 0.390859190000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.184845060000000, 0.317140580000000, 0.890859190000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.132295530000000, 0.815154940000000, 0.224192525000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.132295530000000, 0.815154940000000, 0.724192525000000 ] mass: 15.999400 reduced_to: 35 - symbol: As # 37 coordinates: [ 0.005450330000000, 0.596633150000000, 0.145078620000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 38 coordinates: [ 0.005450330000000, 0.596633150000000, 0.645078620000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 39 coordinates: [ 0.403366850000000, 0.408817180000000, 0.311745290000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 40 coordinates: [ 0.403366850000000, 0.408817180000000, 0.811745290000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 41 coordinates: [ 0.591182820000000, 0.994549670000000, 0.478411955000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.591182820000000, 0.994549670000000, 0.978411955000000 ] mass: 74.921600 reduced_to: 41 - symbol: Pb # 43 coordinates: [ 0.398226660000000, 0.400147720000000, 0.061115320000000 ] mass: 207.200000 reduced_to: 43 - symbol: Pb # 44 coordinates: [ 0.398226660000000, 0.400147720000000, 0.561115320000000 ] mass: 207.200000 reduced_to: 43 - symbol: Pb # 45 coordinates: [ 0.599852280000000, 0.998078950000000, 0.227781985000000 ] mass: 207.200000 reduced_to: 45 - symbol: Pb # 46 coordinates: [ 0.599852280000000, 0.998078950000000, 0.727781985000000 ] mass: 207.200000 reduced_to: 45 - symbol: Pb # 47 coordinates: [ 0.001921050000000, 0.601773340000000, 0.394448655000000 ] mass: 207.200000 reduced_to: 47 - symbol: Pb # 48 coordinates: [ 0.001921050000000, 0.601773340000000, 0.894448655000000 ] mass: 207.200000 reduced_to: 47born_effective_charge:- # 1 (B) - [ 2.493961970000000, -0.163961120000000, -0.371503290000000 ] - [ -0.181205560000000, 2.861586390000000, 0.053847510000000 ] - [ -0.029341130000000, 0.263752960000000, 2.543799540000000 ]- # 2 (B) - [ 2.620218728286928, 0.254099932054591, 0.139118332976606 ] - [ 0.236855494625183, 2.735329631713072, -0.348655042631928 ] - [ -0.213746199223620, -0.157286643498846, 2.543799540000000 ]- # 3 (B) - [ 2.919141841668687, -0.064272154390402, 0.232384957023393 ] - [ -0.081516592421612, 2.436406518331313, 0.294807532631928 ] - [ 0.243087329223620, -0.106466316501154, 2.543799540000000 ]- # 4 (O) - [ -1.489923460000000, 0.437537900000000, 0.039136620000000 ] - [ 0.547318360000000, -2.001320170000001, 0.447612240000000 ] - [ 0.108830190000000, 0.553739130000000, -2.335388930000000 ]- # 5 (O) - [ -2.299926262355274, -0.079663021023246, 0.368075259835801 ] - [ 0.030117433552827, -1.191317367644727, -0.257699426559736 ] - [ 0.425137060037053, -0.371119274820633, -2.335388930000000 ]- # 6 (O) - [ -1.447015722362167, -0.522545563463310, -0.407211879835801 ] - [ -0.412765108224405, -2.044227907637833, -0.189912813440264 ] - [ -0.533967250037053, -0.182619855179367, -2.335388930000000 ]- # 7 (O) - [ -2.376185730000000, 0.374363690000000, 0.373692110000000 ] - [ 0.416589390000000, -1.130129970000000, -0.020298460000000 ] - [ 0.269884810000000, -0.017915950000000, -2.222542730000000 ]- # 8 (O) - [ -1.099151179751624, 0.320706849404174, -0.169267072471919 ] - [ 0.362932553512406, -2.407164520248376, 0.333776091311230 ] - [ -0.119426737528461, 0.242685075931458, -2.222542730000000 ]- # 9 (O) - [ -1.784136640139693, -0.758409089416682, -0.204425037528081 ] - [ -0.716183393176085, -1.722179059860307, -0.313477631311230 ] - [ -0.150458072471539, -0.224769125931458, -2.222542730000000 ]- # 10 (O) - [ -2.461133020000000, -0.197607880000000, 0.427985480000000 ] - [ -0.343064500000000, -1.808501380000000, 0.286471110000000 ] - [ 0.588082820000000, 0.218805340000000, -1.777168450000000 ]- # 11 (O) - [ -1.737541282245898, -0.074701386503329, 0.034098517440158 ] - [ -0.220158003391746, -2.532093117754103, -0.513881853652624 ] - [ -0.104550425718027, -0.618697330672477, -1.777168450000000 ]- # 12 (O) - [ -2.205777298128488, 0.490494192192712, -0.462083997440158 ] - [ 0.345037576586911, -2.063857101871512, 0.227410743652624 ] - [ -0.483532394281973, 0.399891990672477, -1.777168450000000 ]- # 13 (O) - [ -1.824585220000000, 0.794705330000000, 0.244067620000000 ] - [ 0.723862710000000, -1.660644460000000, -0.323791160000000 ] - [ 0.242036170000000, -0.288274270000000, -2.035014350000000 ]- # 14 (O) - [ -2.359188900177155, -0.415209127510920, -0.402445179726731 ] - [ -0.486051755531168, -1.126040779822845, -0.049473180182670 ] - [ -0.370670926355909, -0.065472335890502, -2.035014350000000 ]- # 15 (O) - [ -1.044070400005185, -0.273232267360010, 0.158377559726731 ] - [ -0.344074890141169, -2.441159279994816, 0.373264340182670 ] - [ 0.128634756355908, 0.353746605890502, -2.035014350000000 ]- # 16 (O) - [ -2.735124770000000, 0.286552550000000, -0.121319730000000 ] - [ 0.497550570000000, -1.505708540000000, 0.136307880000000 ] - [ -0.293415740000000, 0.163465110000000, -1.928235090000000 ]- # 17 (O) - [ -2.152589207548232, -0.833877631390228, 0.178705951694534 ] - [ -0.622879615119179, -2.088244102451768, 0.036912028631396 ] - [ 0.288272807818266, 0.172372928817751, -1.928235090000000 ]- # 18 (O) - [ -1.473535986908689, 0.230828052041409, -0.057386221694534 ] - [ 0.441826076086063, -2.767297323091312, -0.173219908631396 ] - [ 0.005142932181734, -0.335838038817751, -1.928235090000000 ]- # 19 (As) - [ 3.301463460000000, -0.114909370000000, -0.146737590000000 ] - [ -0.317884250000000, 3.367099470000000, -0.109771120000000 ] - [ -0.108350540000000, -0.172873290000000, 4.240762110000000 ]- # 20 (As) - [ 3.163285332705538, 0.238107069826295, 0.168433373060810 ] - [ 0.035132191156860, 3.505277597294462, -0.072192920791822 ] - [ 0.203887931319502, -0.007397675170795, 4.240762110000000 ]- # 21 (As) - [ 3.538095601772033, 0.181264617567032, -0.021695783060810 ] - [ -0.021710260106726, 3.130467328227967, 0.181964040791822 ] - [ -0.095537391319502, 0.180270965170795, 4.240762110000000 ]- # 22 (Pb) - [ 3.610429540000001, -0.356668790000000, -0.280154340000000 ] - [ -0.283154410000000, 3.358715880000001, 0.037538090000000 ] - [ -0.422882570000000, 0.123123350000000, 3.513787910000000 ]- # 23 (Pb) - [ 3.144592722447912, 0.014203398027088, 0.107568230117238 ] - [ 0.087717778324475, 3.824552697552090, -0.261389821096434 ] - [ 0.104813336456806, -0.427788722318535, 3.513787910000000 ]- # 24 (Pb) - [ 3.698695867741305, 0.232193820449385, 0.172586109882762 ] - [ 0.305708203762809, 3.270449552258696, 0.223851731096434 ] - [ 0.318069233543194, 0.304665372318535, 3.513787910000000 ]dielectric_constant: - [ 3.942967440000000, 0.000005230000000, 0.000000000000000 ] - [ -0.000005230000000, 3.942967440000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.156530060000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.2647144700000000, -0.0082347600000000, 0.0066651800000000 ] - [ -0.0001966700000000, -0.0002334700000000, -0.0008177500000000 ] - [ 0.0010779200000000, -0.0167789500000000, -0.0367615500000000 ] - [ 0.0009515600000000, -0.0018777500000000, 0.0012540300000000 ] - [ 0.0099688900000000, 0.0117684600000000, 0.0151279600000000 ] - [ 0.0009553900000000, 0.0018589600000000, -0.0045978200000000 ] - [ 0.0030162600000000, -0.0050684200000000, 0.0147467800000000 ] - [ -0.0015482700000000, -0.0028011800000000, -0.0066073300000000 ] - [ 0.0876598400000000, 0.0053381000000000, -0.0420580700000000 ] - [ -0.0012374300000000, 0.0008491700000000, -0.0000676500000000 ] - [ 0.0487007000000000, 0.0025418200000000, 0.0294921400000000 ] - [ 0.0014765300000000, 0.0013583700000000, 0.0024550600000000 ] - [ 0.0008424500000000, 0.0039864300000000, 0.0078706500000000 ] - [ 0.0017860600000000, 0.0003428400000000, 0.0013031600000000 ] - [ 0.0021834500000000, -0.0092577300000000, 0.0041342900000000 ] - [ -0.0013975300000000, 0.0015031800000000, 0.0024748400000000 ] - [ -0.0028998700000000, -0.0030045900000000, 0.0013269200000000 ] - [ -0.0012156300000000, -0.0019579200000000, 0.0028175800000000 ] - [ -0.0066161000000000, 0.0033116400000000, 0.0051567300000000 ] - [ 0.0000647400000000, 0.0010651500000000, -0.0001392500000000 ] - [ 0.0624297600000000, 0.0210226700000000, 0.0016463800000000 ] - [ -0.0000031000000000, -0.0009917800000000, -0.0001259200000000 ] - [ 0.0046502500000000, -0.0046345000000000, 0.0038069900000000 ] - [ -0.0004414300000000, -0.0007240700000000, -0.0002908600000000 ] - [ -0.0029628400000000, 0.0024836200000000, -0.0007194500000000 ] - [ -0.0025772200000000, 0.0015598300000000, -0.0013557200000000 ] - [ 0.0006687200000000, -0.0055695800000000, -0.0089700500000000 ] - [ 0.0021472700000000, 0.0004097300000000, -0.0013339800000000 ] - [ -0.0004062500000000, 0.0106493900000000, -0.0022194700000000 ] - [ -0.0004599100000000, -0.0019660100000000, -0.0015699300000000 ] - [ -0.0009686800000000, -0.0011051400000000, -0.0006121200000000 ] - [ 0.0006644300000000, -0.0024291800000000, 0.0005294900000000 ] - [ 0.0085098900000000, 0.0100288600000000, 0.0005037100000000 ] - [ -0.0019605600000000, 0.0000475800000000, 0.0007355600000000 ] - [ 0.0452303800000000, -0.0160122200000000, 0.0072597500000000 ] - [ 0.0006230500000000, 0.0021041400000000, 0.0000344000000000 ] - [ -0.0076111200000000, -0.0193258700000000, -0.0200939100000000 ] - [ 0.0002521600000000, -0.0013049400000000, 0.0002349100000000 ] - [ -0.0179866000000000, 0.0216754000000000, 0.0203753800000000 ] - [ 0.0007184700000000, 0.0014533400000000, -0.0005475200000000 ] - [ 0.0030641000000000, 0.0028956700000000, -0.0007486300000000 ] - [ 0.0015552300000000, -0.0016325700000000, -0.0003785100000000 ] - [ -0.0049287500000000, -0.0034144600000000, -0.0075043200000000 ] - [ -0.0010564100000000, -0.0013699800000000, 0.0006071900000000 ] - [ 0.0346206200000000, -0.0003157700000000, 0.0026993700000000 ] - [ 0.0008122400000000, 0.0001920000000000, -0.0006750500000000 ] - [ -0.0019315600000000, 0.0003478100000000, 0.0066207100000000 ] - [ -0.0015099200000000, 0.0012166900000000, -0.0016842700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.2665903500000000, 0.0063808800000000, -0.0135539500000000 ] - [ 0.0012789300000000, -0.0008271600000000, -0.0001231800000000 ] - [ -0.0009544800000000, 0.0182391200000000, 0.0360739000000000 ] - [ -0.0005599400000000, 0.0033417800000000, -0.0021901200000000 ] - [ -0.0113691800000000, -0.0121030900000000, -0.0161926500000000 ] - [ -0.0024357200000000, -0.0022741400000000, 0.0036788100000000 ] - [ -0.0026494400000000, 0.0025510500000000, -0.0137477800000000 ] - [ 0.0019049100000000, 0.0002058000000000, 0.0076428600000000 ] - [ -0.0948927800000000, -0.0043025900000000, 0.0483411600000000 ] - [ -0.0011411200000000, 0.0001264800000000, 0.0011652500000000 ] - [ -0.0466555300000000, -0.0009273000000000, -0.0287702400000000 ] - [ 0.0005561400000000, 0.0002136200000000, -0.0013523500000000 ] - [ 0.0032281800000000, -0.0032145200000000, -0.0027338100000000 ] - [ 0.0022770400000000, 0.0004447000000000, 0.0038777800000000 ] - [ -0.0048949200000000, 0.0123721500000000, 0.0010660000000000 ] - [ -0.0013129400000000, 0.0016189100000000, 0.0027017800000000 ] - [ 0.0015524800000000, -0.0008978600000000, 0.0038402100000000 ] - [ -0.0001283900000000, -0.0019408600000000, 0.0023675800000000 ] - [ 0.0089348000000000, -0.0022352800000000, -0.0055216400000000 ] - [ 0.0022661500000000, -0.0000318400000000, -0.0002680900000000 ] - [ -0.0600528400000000, -0.0205717500000000, -0.0010440400000000 ] - [ -0.0002716800000000, -0.0015559700000000, -0.0002900900000000 ] - [ -0.0067072400000000, 0.0061136300000000, -0.0042092700000000 ] - [ -0.0016276800000000, 0.0022393200000000, -0.0001210500000000 ] - [ -0.0001016400000000, 0.0006526100000000, -0.0024730900000000 ] - [ -0.0004889100000000, 0.0015786500000000, -0.0018679100000000 ] - [ 0.0035935300000000, 0.0066908600000000, 0.0058278000000000 ] - [ 0.0021101500000000, 0.0006683100000000, -0.0018933600000000 ] - [ -0.0008009800000000, -0.0149536600000000, -0.0009782800000000 ] - [ -0.0007289300000000, -0.0022535200000000, -0.0016628600000000 ] - [ 0.0049549200000000, -0.0022016400000000, 0.0004282100000000 ] - [ 0.0033407900000000, -0.0008814800000000, -0.0007525700000000 ] - [ -0.0134142900000000, -0.0119725700000000, -0.0008141000000000 ] - [ -0.0029088800000000, -0.0018529600000000, -0.0009512400000000 ] - [ -0.0428585600000000, 0.0189044200000000, -0.0073085600000000 ] - [ 0.0002417500000000, 0.0030198900000000, -0.0002566500000000 ] - [ 0.0098525300000000, 0.0163648900000000, 0.0195891300000000 ] - [ 0.0019103400000000, -0.0017560600000000, -0.0008035800000000 ] - [ 0.0197361800000000, -0.0182847500000000, -0.0210895500000000 ] - [ 0.0008354700000000, 0.0019388500000000, -0.0000180800000000 ] - [ -0.0068013700000000, -0.0032220300000000, 0.0001996300000000 ] - [ -0.0052716600000000, 0.0012713000000000, -0.0002171000000000 ] - [ 0.0046388100000000, 0.0023229600000000, 0.0065987900000000 ] - [ 0.0008300100000000, 0.0003269600000000, -0.0015158900000000 ] - [ -0.0336724700000000, 0.0006378900000000, -0.0036208100000000 ] - [ 0.0002180800000000, 0.0001288600000000, -0.0002392600000000 ] - [ 0.0011343700000000, 0.0003858000000000, -0.0075925900000000 ] - [ 0.0007156900000000, -0.0004786500000000, 0.0007748500000000 ]- atom: 1 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.1244168300000000, -0.1901339600000000, -0.0103859300000000 ] - [ 0.0011670400000000, -0.0011736300000000, 0.0000833700000000 ] - [ -0.0056706300000000, 0.0096515300000000, 0.0206396500000000 ] - [ -0.0004756000000000, 0.0023129600000000, -0.0010156100000000 ] - [ -0.0056234400000000, -0.0142771100000000, -0.0021080200000000 ] - [ -0.0017676600000000, -0.0017805500000000, 0.0024317800000000 ] - [ -0.0021435200000000, 0.0018187200000000, -0.0088545400000000 ] - [ 0.0015037700000000, 0.0002944800000000, 0.0060045700000000 ] - [ -0.0380334300000000, 0.0298220600000000, 0.0231022100000000 ] - [ -0.0011134100000000, 0.0003831600000000, 0.0008600500000000 ] - [ -0.0233040900000000, 0.0452375800000000, -0.0286445800000000 ] - [ 0.0008011400000000, 0.0008430800000000, -0.0009418400000000 ] - [ 0.0069391700000000, -0.0069770600000000, -0.0074503600000000 ] - [ 0.0031261500000000, 0.0003235100000000, 0.0046201700000000 ] - [ 0.0002872300000000, -0.0028103200000000, 0.0039694900000000 ] - [ -0.0011550100000000, 0.0013797400000000, 0.0021325800000000 ] - [ 0.0011544900000000, -0.0007888800000000, 0.0036133200000000 ] - [ 0.0000212800000000, -0.0014754700000000, 0.0023480700000000 ] - [ 0.0049366300000000, -0.0018805400000000, -0.0014985500000000 ] - [ 0.0016531100000000, 0.0000263400000000, -0.0003567600000000 ] - [ -0.0190513300000000, 0.0207374200000000, 0.0013210900000000 ] - [ -0.0002091800000000, -0.0012678000000000, -0.0006482300000000 ] - [ -0.0083099900000000, 0.0046003600000000, -0.0092889000000000 ] - [ -0.0021898100000000, 0.0019727900000000, 0.0002330400000000 ] - [ -0.0012284800000000, 0.0016318100000000, -0.0016403500000000 ] - [ -0.0014592500000000, 0.0018406100000000, -0.0019741200000000 ] - [ -0.0007666200000000, -0.0021222400000000, -0.0037075200000000 ] - [ 0.0012458100000000, 0.0003530400000000, -0.0010619300000000 ] - [ -0.0031180700000000, -0.0205660900000000, 0.0004889800000000 ] - [ -0.0008390600000000, -0.0024204800000000, -0.0020407700000000 ] - [ 0.0042032500000000, -0.0010056200000000, 0.0013617200000000 ] - [ 0.0029067800000000, -0.0014618000000000, -0.0004999400000000 ] - [ -0.0027079800000000, -0.0070592400000000, -0.0055589000000000 ] - [ -0.0019807000000000, -0.0012536200000000, -0.0000361600000000 ] - [ -0.0284396900000000, 0.0401550800000000, -0.0080823600000000 ] - [ 0.0001895100000000, 0.0032259800000000, -0.0007180800000000 ] - [ 0.0050389400000000, 0.0497893800000000, 0.0356366200000000 ] - [ 0.0021327300000000, -0.0018646200000000, -0.0006900900000000 ] - [ 0.0081474300000000, 0.0314189500000000, 0.0123376800000000 ] - [ 0.0006798100000000, 0.0017553500000000, 0.0000002800000000 ] - [ -0.0037592200000000, -0.0018646600000000, 0.0007296200000000 ] - [ -0.0042819600000000, 0.0003607900000000, -0.0001463000000000 ] - [ 0.0022316900000000, 0.0090339600000000, -0.0094252200000000 ] - [ 0.0000722900000000, 0.0002563500000000, 0.0018914100000000 ] - [ -0.0173266200000000, -0.0038132000000000, -0.0047611500000000 ] - [ 0.0003221500000000, 0.0002147400000000, 0.0000621400000000 ] - [ 0.0010943300000000, 0.0066348500000000, -0.0156770700000000 ] - [ 0.0006831700000000, -0.0000777100000000, 0.0033454600000000 ]- atom: 1 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.1286691400000000, 0.1976329800000000, 0.0079907900000000 ] - [ -0.0000874500000000, 0.0001143700000000, -0.0010430400000000 ] - [ 0.0060145600000000, -0.0082421300000000, -0.0214688500000000 ] - [ 0.0008556200000000, -0.0008390000000000, 0.0000521100000000 ] - [ 0.0040320600000000, 0.0139979700000000, 0.0010899600000000 ] - [ 0.0002955300000000, 0.0013789200000000, -0.0033973500000000 ] - [ 0.0025171100000000, -0.0043795700000000, 0.0099624900000000 ] - [ -0.0011390800000000, -0.0028935200000000, -0.0049313900000000 ] - [ 0.0351541100000000, -0.0291625900000000, -0.0213984600000000 ] - [ -0.0012718900000000, 0.0005881500000000, 0.0002550100000000 ] - [ 0.0257378400000000, -0.0441704300000000, 0.0300731400000000 ] - [ 0.0012351000000000, 0.0007373800000000, 0.0020684300000000 ] - [ -0.0028927500000000, 0.0077708700000000, 0.0126013500000000 ] - [ 0.0009200200000000, 0.0004636100000000, 0.0005622900000000 ] - [ -0.0030386100000000, 0.0059447300000000, 0.0011923200000000 ] - [ -0.0015567600000000, 0.0017471900000000, 0.0030550100000000 ] - [ -0.0025109700000000, -0.0031193300000000, 0.0015625100000000 ] - [ -0.0013731600000000, -0.0024328600000000, 0.0028354700000000 ] - [ -0.0026384600000000, 0.0029628500000000, 0.0011263100000000 ] - [ 0.0006913200000000, 0.0010060800000000, -0.0000477100000000 ] - [ 0.0186902700000000, -0.0231668500000000, -0.0017420400000000 ] - [ -0.0000594400000000, -0.0012821000000000, 0.0002417400000000 ] - [ 0.0062965300000000, -0.0030307100000000, 0.0089590500000000 ] - [ 0.0001328800000000, -0.0004683900000000, -0.0006357900000000 ] - [ -0.0018291700000000, 0.0015136600000000, -0.0015887500000000 ] - [ -0.0016057300000000, 0.0013018000000000, -0.0012377900000000 ] - [ 0.0050563900000000, 0.0032624800000000, 0.0005733400000000 ] - [ 0.0030170200000000, 0.0007272000000000, -0.0021534700000000 ] - [ 0.0018788200000000, 0.0162706000000000, -0.0037158500000000 ] - [ -0.0003503900000000, -0.0018049600000000, -0.0011740700000000 ] - [ -0.0002148800000000, -0.0023159800000000, -0.0015734300000000 ] - [ 0.0010904600000000, -0.0018484000000000, 0.0002917900000000 ] - [ -0.0022102600000000, 0.0052660200000000, 0.0053779600000000 ] - [ -0.0028922200000000, -0.0005591500000000, -0.0001714900000000 ] - [ 0.0343809800000000, -0.0423745100000000, 0.0082093500000000 ] - [ 0.0006765400000000, 0.0018964000000000, 0.0005125200000000 ] - [ -0.0025337800000000, -0.0534105200000000, -0.0362729900000000 ] - [ 0.0000160600000000, -0.0011940600000000, 0.0000985400000000 ] - [ -0.0063118100000000, -0.0280157100000000, -0.0128361100000000 ] - [ 0.0008800500000000, 0.0016427500000000, -0.0005906000000000 ] - [ 0.0000357400000000, 0.0015391000000000, -0.0013104000000000 ] - [ 0.0005529200000000, -0.0007028400000000, -0.0004341400000000 ] - [ -0.0024223000000000, -0.0101104400000000, 0.0084904500000000 ] - [ -0.0002974600000000, -0.0013101400000000, -0.0028420400000000 ] - [ 0.0183928600000000, 0.0041086300000000, 0.0038637200000000 ] - [ 0.0007086100000000, 0.0001055900000000, -0.0009953500000000 ] - [ -0.0018889100000000, -0.0059561100000000, 0.0148163300000000 ] - [ -0.0014647700000000, 0.0008109700000000, -0.0043008600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0153851600000000, -0.0062761500000000, -0.3413245600000000 ] - [ 0.0001953900000000, -0.0000827700000000, 0.0049436700000000 ] - [ -0.0140972500000000, 0.0107616200000000, 0.0363669400000000 ] - [ 0.0014107000000000, -0.0033214500000000, 0.0076373000000000 ] - [ 0.0201588700000000, 0.0296585900000000, 0.0359013900000000 ] - [ -0.0012753500000000, -0.0018881200000000, 0.0076634100000000 ] - [ -0.0000033300000000, 0.0023621300000000, -0.0115077500000000 ] - [ -0.0011072000000000, -0.0024222000000000, -0.0132061000000000 ] - [ -0.0440737400000000, 0.0046163000000000, 0.0944366800000000 ] - [ -0.0004865900000000, 0.0003178700000000, -0.0051997200000000 ] - [ 0.0353761300000000, -0.0068578100000000, 0.1240820000000000 ] - [ -0.0000785700000000, 0.0001665200000000, -0.0051532000000000 ] - [ 0.0005316800000000, 0.0030304200000000, 0.0091044300000000 ] - [ 0.0028365900000000, 0.0002175800000000, -0.0001370100000000 ] - [ 0.0007696300000000, -0.0020978300000000, 0.0085577000000000 ] - [ -0.0014847500000000, 0.0020374400000000, -0.0013943400000000 ] - [ -0.0007928600000000, -0.0016357700000000, 0.0022323000000000 ] - [ -0.0017691300000000, -0.0018103600000000, -0.0010097400000000 ] - [ 0.0087241400000000, -0.0009956800000000, -0.0061911100000000 ] - [ 0.0001365900000000, 0.0013506300000000, -0.0032225900000000 ] - [ -0.0026269400000000, -0.0010689200000000, 0.0378938200000000 ] - [ -0.0003140900000000, -0.0023662100000000, -0.0035285300000000 ] - [ 0.0039390600000000, -0.0148027900000000, 0.0025495600000000 ] - [ -0.0024834400000000, 0.0025153000000000, -0.0030985100000000 ] - [ 0.0001284000000000, 0.0016985900000000, 0.0015574400000000 ] - [ -0.0005901600000000, 0.0014266700000000, -0.0052541400000000 ] - [ 0.0019280000000000, 0.0014492300000000, -0.0016968800000000 ] - [ 0.0016341000000000, -0.0000404700000000, -0.0051726400000000 ] - [ -0.0008886300000000, -0.0045959400000000, 0.0045139900000000 ] - [ -0.0005494200000000, -0.0014439800000000, -0.0049687400000000 ] - [ -0.0123017100000000, -0.0045541500000000, -0.0027346300000000 ] - [ 0.0028460300000000, -0.0009379200000000, -0.0039486500000000 ] - [ -0.0057438800000000, -0.0102009000000000, -0.0060200400000000 ] - [ -0.0010863500000000, 0.0007756200000000, -0.0024994900000000 ] - [ 0.0144163300000000, -0.0056020500000000, 0.0443095000000000 ] - [ 0.0003443400000000, 0.0019189900000000, -0.0032728400000000 ] - [ -0.0118969700000000, 0.0114707200000000, -0.0179477200000000 ] - [ 0.0015768400000000, -0.0020170900000000, 0.0065346300000000 ] - [ 0.0069857400000000, 0.0221589000000000, 0.0037106500000000 ] - [ 0.0010503200000000, 0.0015840200000000, 0.0071547000000000 ] - [ -0.0050510300000000, -0.0022580500000000, 0.0064365500000000 ] - [ 0.0035707500000000, -0.0028686800000000, 0.0053521100000000 ] - [ -0.0088921700000000, -0.0186868300000000, -0.0011546900000000 ] - [ -0.0001634000000000, 0.0004716200000000, 0.0061389200000000 ] - [ -0.0075502800000000, 0.0006847400000000, -0.0178599600000000 ] - [ 0.0008865100000000, -0.0005043600000000, 0.0059463500000000 ] - [ 0.0024123200000000, -0.0039320300000000, 0.0000650800000000 ] - [ -0.0019364200000000, 0.0025950300000000, 0.0044144800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0047222300000000, 0.0032859600000000, 0.3483499100000000 ] - [ 0.0008886900000000, -0.0009811200000000, -0.0059133800000000 ] - [ 0.0140292500000000, -0.0091728900000000, -0.0370519400000000 ] - [ -0.0010351900000000, 0.0048219400000000, -0.0086296300000000 ] - [ -0.0219516500000000, -0.0301318800000000, -0.0375200800000000 ] - [ -0.0002068600000000, 0.0014744700000000, -0.0086017900000000 ] - [ 0.0004119500000000, -0.0049114800000000, 0.0125680000000000 ] - [ 0.0015297600000000, -0.0002106400000000, 0.0142966900000000 ] - [ 0.0374072800000000, -0.0036626600000000, -0.0898909000000000 ] - [ -0.0019166400000000, 0.0006402600000000, 0.0063269400000000 ] - [ -0.0376517700000000, 0.0096436600000000, -0.1339458000000000 ] - [ 0.0021086100000000, 0.0014317700000000, 0.0062737200000000 ] - [ 0.0035330000000000, -0.0022592500000000, -0.0039843400000000 ] - [ 0.0012157300000000, 0.0005655600000000, 0.0053364700000000 ] - [ -0.0035022500000000, 0.0052699900000000, -0.0034069100000000 ] - [ -0.0012215100000000, 0.0010870800000000, 0.0065922500000000 ] - [ -0.0005734300000000, -0.0022705000000000, 0.0029508500000000 ] - [ 0.0004227800000000, -0.0020907800000000, 0.0062066200000000 ] - [ -0.0064378500000000, 0.0020748700000000, 0.0058741200000000 ] - [ 0.0022176300000000, -0.0003223200000000, 0.0028260100000000 ] - [ 0.0021941500000000, -0.0015844600000000, -0.0381756700000000 ] - [ 0.0000439000000000, -0.0001852900000000, 0.0031275900000000 ] - [ -0.0060402100000000, 0.0164837300000000, -0.0029835600000000 ] - [ 0.0004210600000000, -0.0009957900000000, 0.0026995700000000 ] - [ -0.0032128700000000, 0.0014480200000000, -0.0047825600000000 ] - [ -0.0024817800000000, 0.0017162300000000, 0.0020538900000000 ] - [ 0.0023448600000000, -0.0003332300000000, -0.0014358800000000 ] - [ 0.0026355600000000, 0.0011219700000000, 0.0019816800000000 ] - [ -0.0003247900000000, 0.0002877100000000, -0.0077613600000000 ] - [ -0.0006461100000000, -0.0027889100000000, 0.0017638400000000 ] - [ 0.0164299600000000, 0.0012595700000000, 0.0025848500000000 ] - [ 0.0011757300000000, -0.0023739700000000, 0.0037540400000000 ] - [ 0.0008515800000000, 0.0083449200000000, 0.0058413600000000 ] - [ -0.0037929800000000, -0.0026006600000000, 0.0023060000000000 ] - [ -0.0138982600000000, 0.0112260500000000, -0.0448668900000000 ] - [ 0.0005175300000000, 0.0032184500000000, 0.0030846500000000 ] - [ 0.0141547900000000, -0.0145745200000000, 0.0176899400000000 ] - [ 0.0005811600000000, -0.0010464600000000, -0.0071490200000000 ] - [ -0.0052691700000000, -0.0186747000000000, -0.0044586200000000 ] - [ 0.0005073000000000, 0.0018152500000000, -0.0077699900000000 ] - [ 0.0013360500000000, 0.0019521700000000, -0.0070448900000000 ] - [ -0.0073285400000000, 0.0025389700000000, -0.0059678900000000 ] - [ 0.0086994300000000, 0.0178038600000000, 0.0002408200000000 ] - [ -0.0000618200000000, -0.0015214900000000, -0.0070945200000000 ] - [ 0.0085295500000000, -0.0003725300000000, 0.0169763900000000 ] - [ 0.0001425900000000, 0.0008293100000000, -0.0068961800000000 ] - [ -0.0032057000000000, 0.0045953100000000, -0.0010132100000000 ] - [ 0.0011517600000000, -0.0018715000000000, -0.0053611900000000 ]- atom: 7 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0033995000000000, -0.0015917400000000, -0.0006965900000000 ] - [ -0.0011599500000000, -0.0000035200000000, -0.0017650600000000 ] - [ 0.0574292400000000, -0.0233475700000000, 0.0157176600000000 ] - [ 0.0004252300000000, 0.0005440200000000, -0.0006940500000000 ] - [ -0.0005767600000000, -0.0006026800000000, -0.0004833400000000 ] - [ 0.0505629200000000, -0.0039205300000000, -0.0256569600000000 ] - [ -0.1358273900000000, 0.0455765400000000, 0.0072311000000000 ] - [ 0.0001356100000000, -0.0012050200000000, 0.0006822000000000 ] - [ -0.0100207000000000, 0.0001133900000000, 0.0074674400000000 ] - [ -0.0017704100000000, 0.0004895600000000, 0.0019697000000000 ] - [ 0.0007349200000000, 0.0009640800000000, 0.0012092900000000 ] - [ -0.0056551200000000, 0.0023994400000000, 0.0088163100000000 ] - [ 0.0023084200000000, 0.0005527800000000, 0.0022233200000000 ] - [ 0.0027449300000000, 0.0003298600000000, 0.0037466500000000 ] - [ -0.0009419200000000, 0.0021022200000000, 0.0020834000000000 ] - [ -0.0014295500000000, 0.0020588000000000, 0.0026389300000000 ] - [ 0.0042606300000000, -0.0003098900000000, 0.0038035500000000 ] - [ -0.0005307700000000, -0.0016973600000000, 0.0019165800000000 ] - [ 0.0353305900000000, -0.0267214400000000, 0.0113085200000000 ] - [ 0.0008750300000000, 0.0004091100000000, -0.0005469300000000 ] - [ -0.0006021000000000, -0.0013315500000000, -0.0007277400000000 ] - [ 0.0003420700000000, -0.0012634500000000, -0.0000637000000000 ] - [ -0.0012895900000000, 0.0011473300000000, -0.0005287700000000 ] - [ -0.0056135300000000, -0.0032094500000000, 0.0057086900000000 ] - [ -0.0014285200000000, 0.0013110200000000, -0.0016346900000000 ] - [ 0.0028543700000000, 0.0007042700000000, -0.0017225400000000 ] - [ 0.0018779300000000, 0.0016344700000000, -0.0012327100000000 ] - [ 0.0021160500000000, 0.0005306300000000, -0.0016797200000000 ] - [ -0.0010628000000000, -0.0028580400000000, -0.0042121100000000 ] - [ -0.0005377000000000, -0.0029583200000000, -0.0010285000000000 ] - [ 0.0018033600000000, -0.0015441600000000, -0.0000054700000000 ] - [ 0.0329058300000000, 0.0055863800000000, -0.0275716700000000 ] - [ -0.0069396100000000, 0.0018441200000000, -0.0030452600000000 ] - [ -0.0024181100000000, -0.0008366900000000, -0.0002023600000000 ] - [ -0.0000574900000000, 0.0032394100000000, -0.0000881800000000 ] - [ 0.0006191100000000, 0.0027919500000000, 0.0002370200000000 ] - [ 0.0008651000000000, -0.0028556700000000, 0.0011961300000000 ] - [ -0.0004690700000000, -0.0002074900000000, -0.0023910600000000 ] - [ -0.0017291100000000, -0.0001578500000000, 0.0014099400000000 ] - [ 0.0008640900000000, 0.0016162600000000, -0.0002484100000000 ] - [ -0.0196027100000000, -0.0017760600000000, -0.0010552300000000 ] - [ -0.0018240600000000, 0.0000198400000000, 0.0002026100000000 ] - [ -0.0001633800000000, -0.0003821100000000, -0.0001367100000000 ] - [ -0.0008767200000000, -0.0050904300000000, -0.0021441200000000 ] - [ -0.0006569000000000, -0.0002530500000000, -0.0028362400000000 ] - [ -0.0002907100000000, 0.0013521500000000, 0.0026701400000000 ] - [ 0.0015131000000000, 0.0064353700000000, 0.0006045200000000 ] - [ -0.0004933400000000, 0.0003710900000000, -0.0004455600000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0022655000000000, 0.0005095900000000, -0.0002728300000000 ] - [ 0.0022910100000000, -0.0010752600000000, 0.0008763500000000 ] - [ -0.0566433800000000, 0.0257961400000000, -0.0178107800000000 ] - [ -0.0000502100000000, 0.0009401200000000, -0.0002520400000000 ] - [ -0.0008957400000000, 0.0001918500000000, -0.0004732800000000 ] - [ -0.0513976300000000, 0.0033598400000000, 0.0250598800000000 ] - [ 0.1362169200000000, -0.0489336100000000, -0.0054346200000000 ] - [ 0.0002333100000000, -0.0013561000000000, 0.0004264800000000 ] - [ 0.0075981000000000, 0.0008167900000000, -0.0062458100000000 ] - [ -0.0006057900000000, 0.0004714600000000, -0.0008975900000000 ] - [ 0.0012963700000000, 0.0006323500000000, -0.0000769800000000 ] - [ 0.0075654600000000, -0.0008445100000000, -0.0080175700000000 ] - [ 0.0017579200000000, 0.0002330000000000, 0.0029486400000000 ] - [ 0.0012973400000000, 0.0004522400000000, 0.0014552000000000 ] - [ -0.0017678900000000, 0.0009982200000000, 0.0031186200000000 ] - [ -0.0012807500000000, 0.0010630400000000, 0.0025421700000000 ] - [ -0.0055793500000000, -0.0036113500000000, 0.0013753800000000 ] - [ -0.0008111500000000, -0.0022017500000000, 0.0032807100000000 ] - [ -0.0335067700000000, 0.0282759900000000, -0.0119246400000000 ] - [ 0.0014686900000000, 0.0006173900000000, 0.0001452500000000 ] - [ 0.0003112800000000, -0.0012023000000000, 0.0003258200000000 ] - [ -0.0006321400000000, -0.0013021200000000, -0.0003623600000000 ] - [ -0.0007773300000000, 0.0003681300000000, 0.0001153100000000 ] - [ 0.0034716600000000, 0.0047495700000000, -0.0061422900000000 ] - [ -0.0016222900000000, 0.0018228800000000, -0.0016043500000000 ] - [ -0.0059035400000000, 0.0024488300000000, -0.0014720700000000 ] - [ 0.0023459800000000, -0.0005525600000000, -0.0019976300000000 ] - [ 0.0021533900000000, 0.0005495300000000, -0.0015339800000000 ] - [ -0.0001319300000000, -0.0013737700000000, 0.0009722700000000 ] - [ -0.0006550300000000, -0.0012621000000000, -0.0021919400000000 ] - [ 0.0021931200000000, -0.0017572600000000, -0.0002215800000000 ] - [ -0.0293010900000000, -0.0090833900000000, 0.0278922900000000 ] - [ 0.0020181500000000, -0.0038352200000000, 0.0029414900000000 ] - [ -0.0024592800000000, -0.0009848900000000, -0.0000004000000000 ] - [ 0.0009110000000000, 0.0018994500000000, -0.0001268400000000 ] - [ 0.0002254700000000, 0.0023448300000000, -0.0004614800000000 ] - [ 0.0012851100000000, -0.0002038300000000, -0.0017675300000000 ] - [ 0.0026672400000000, -0.0028728500000000, 0.0017924200000000 ] - [ 0.0033441700000000, 0.0035555400000000, -0.0020065200000000 ] - [ 0.0006942400000000, 0.0017853400000000, -0.0003285700000000 ] - [ 0.0158083400000000, 0.0014630200000000, 0.0004333400000000 ] - [ -0.0018996500000000, -0.0003632700000000, -0.0007676300000000 ] - [ -0.0000759000000000, -0.0006704800000000, -0.0007864600000000 ] - [ 0.0006661100000000, 0.0040488800000000, 0.0012012600000000 ] - [ 0.0016774800000000, 0.0005802300000000, 0.0019337100000000 ] - [ 0.0013172800000000, -0.0010424300000000, -0.0036197700000000 ] - [ -0.0022591800000000, -0.0058059400000000, -0.0015655500000000 ] - [ -0.0002936100000000, 0.0003607300000000, -0.0004735300000000 ]- atom: 7 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.0041675200000000, 0.0011881200000000, 0.0027838900000000 ] - [ 0.0001474400000000, 0.0000189900000000, -0.0007146100000000 ] - [ -0.0555930700000000, 0.0766087600000000, -0.0439807100000000 ] - [ 0.0001569300000000, 0.0006728000000000, 0.0002576600000000 ] - [ -0.0006751800000000, 0.0005985500000000, 0.0006320200000000 ] - [ -0.0270433300000000, 0.0442863300000000, -0.0118806400000000 ] - [ 0.1101978400000000, -0.1863128600000000, 0.1118108600000000 ] - [ 0.0002571700000000, -0.0013595000000000, -0.0002634100000000 ] - [ 0.0015076900000000, -0.0033296600000000, -0.0156359400000000 ] - [ -0.0011028100000000, 0.0004525000000000, 0.0000307600000000 ] - [ 0.0015303300000000, 0.0004037800000000, -0.0016706700000000 ] - [ 0.0070894900000000, -0.0059271300000000, 0.0100055800000000 ] - [ 0.0015356200000000, 0.0000833900000000, 0.0023231900000000 ] - [ -0.0004527500000000, 0.0009353200000000, 0.0018063300000000 ] - [ -0.0002858300000000, 0.0029624300000000, 0.0004319700000000 ] - [ -0.0014344700000000, 0.0017484700000000, 0.0026030400000000 ] - [ -0.0042444800000000, -0.0048052400000000, 0.0028689600000000 ] - [ -0.0008919300000000, -0.0021532900000000, 0.0021654900000000 ] - [ -0.0417502600000000, 0.0243399800000000, -0.0116783100000000 ] - [ 0.0014203100000000, 0.0007433000000000, -0.0006696100000000 ] - [ 0.0014725300000000, -0.0009966500000000, -0.0007649200000000 ] - [ -0.0001493000000000, -0.0015244300000000, -0.0001784500000000 ] - [ -0.0006963300000000, 0.0001036700000000, -0.0003318100000000 ] - [ -0.0026540300000000, 0.0225441400000000, -0.0283546700000000 ] - [ -0.0014003100000000, 0.0017100800000000, -0.0023016500000000 ] - [ -0.0034360300000000, 0.0014296800000000, 0.0000370100000000 ] - [ 0.0067217100000000, 0.0034903900000000, 0.0005618000000000 ] - [ 0.0022518800000000, 0.0005846400000000, -0.0022252700000000 ] - [ -0.0000003800000000, -0.0007856500000000, 0.0024599700000000 ] - [ -0.0018554600000000, -0.0000430600000000, -0.0040688700000000 ] - [ 0.0019319500000000, -0.0016099700000000, -0.0009635000000000 ] - [ -0.0040393700000000, -0.0112751000000000, 0.0081872800000000 ] - [ 0.0051257500000000, 0.0358479800000000, -0.0164609200000000 ] - [ -0.0024946500000000, -0.0008522900000000, -0.0006181900000000 ] - [ 0.0015404800000000, 0.0003570500000000, -0.0001892900000000 ] - [ 0.0000504400000000, 0.0006725800000000, -0.0014416400000000 ] - [ 0.0015836300000000, 0.0009803400000000, -0.0013443900000000 ] - [ 0.0106895800000000, -0.0030907700000000, 0.0050333900000000 ] - [ -0.0096755600000000, 0.0000475000000000, 0.0025035000000000 ] - [ 0.0006118600000000, 0.0015505700000000, 0.0006755300000000 ] - [ 0.0087285300000000, 0.0082634600000000, -0.0072479000000000 ] - [ -0.0017765400000000, -0.0002487600000000, 0.0009877400000000 ] - [ -0.0003173700000000, -0.0006692500000000, 0.0009271700000000 ] - [ -0.0030299200000000, -0.0032440200000000, -0.0036328600000000 ] - [ 0.0027374600000000, 0.0001355500000000, 0.0022256400000000 ] - [ 0.0007216200000000, -0.0007318900000000, -0.0010118700000000 ] - [ 0.0014238600000000, -0.0044173900000000, -0.0047119900000000 ] - [ -0.0002672100000000, 0.0006165800000000, 0.0010233000000000 ]- atom: 7 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0052591900000000, -0.0022514100000000, -0.0037298100000000 ] - [ 0.0010213400000000, -0.0011264300000000, -0.0001232600000000 ] - [ 0.0537354700000000, -0.0710723500000000, 0.0375251100000000 ] - [ 0.0002179200000000, 0.0008149700000000, -0.0011793600000000 ] - [ -0.0007939800000000, -0.0010068900000000, -0.0015627500000000 ] - [ 0.0258740900000000, -0.0447876200000000, 0.0103130700000000 ] - [ -0.1076887600000000, 0.1800231700000000, -0.1034814300000000 ] - [ 0.0000942400000000, -0.0011884700000000, 0.0013551600000000 ] - [ -0.0039094400000000, 0.0041742200000000, 0.0166536800000000 ] - [ -0.0012569800000000, 0.0005189000000000, 0.0010108800000000 ] - [ 0.0005065700000000, 0.0011751700000000, 0.0027725100000000 ] - [ -0.0051257400000000, 0.0073795000000000, -0.0093197400000000 ] - [ 0.0025249900000000, 0.0007069700000000, 0.0028432600000000 ] - [ 0.0045030000000000, -0.0001412800000000, 0.0034067000000000 ] - [ -0.0024039100000000, 0.0001813500000000, 0.0047035600000000 ] - [ -0.0012778600000000, 0.0013756700000000, 0.0025773900000000 ] - [ 0.0029087300000000, 0.0008896200000000, 0.0023565000000000 ] - [ -0.0004577900000000, -0.0017567600000000, 0.0029932900000000 ] - [ 0.0432629600000000, -0.0230107100000000, 0.0110381800000000 ] - [ 0.0009308100000000, 0.0002951200000000, 0.0002384800000000 ] - [ -0.0017336900000000, -0.0015648100000000, 0.0003342000000000 ] - [ -0.0001376900000000, -0.0010520300000000, -0.0002603200000000 ] - [ -0.0013721500000000, 0.0014094800000000, -0.0000936300000000 ] - [ 0.0004615500000000, -0.0212940500000000, 0.0283367100000000 ] - [ -0.0016566100000000, 0.0014264000000000, -0.0009418100000000 ] - [ 0.0003698700000000, 0.0016942300000000, -0.0032145200000000 ] - [ -0.0024502400000000, -0.0023995000000000, -0.0037554700000000 ] - [ 0.0020016900000000, 0.0004909700000000, -0.0010145500000000 ] - [ -0.0011978100000000, -0.0034405100000000, -0.0057333800000000 ] - [ 0.0006711600000000, -0.0041994500000000, 0.0008550300000000 ] - [ 0.0020634900000000, -0.0017013600000000, 0.0007329500000000 ] - [ 0.0083560500000000, 0.0078945500000000, -0.0085410900000000 ] - [ -0.0098146200000000, -0.0371462500000000, 0.0159926500000000 ] - [ -0.0023771900000000, -0.0009626200000000, 0.0003904100000000 ] - [ -0.0006765200000000, 0.0047764200000000, -0.0000237100000000 ] - [ 0.0008088600000000, 0.0044864400000000, 0.0012268500000000 ] - [ 0.0005720500000000, -0.0040733100000000, 0.0008025100000000 ] - [ -0.0085026900000000, -0.0000082700000000, -0.0056072500000000 ] - [ 0.0111456900000000, 0.0033692800000000, -0.0030619800000000 ] - [ 0.0009553100000000, 0.0018712700000000, -0.0012246300000000 ] - [ -0.0125520700000000, -0.0084472400000000, 0.0064454500000000 ] - [ -0.0019573700000000, -0.0000943400000000, -0.0015168200000000 ] - [ 0.0000757200000000, -0.0003780500000000, -0.0018175700000000 ] - [ 0.0028004000000000, 0.0022263600000000, 0.0026524800000000 ] - [ -0.0016931900000000, 0.0001981700000000, -0.0031237500000000 ] - [ 0.0002880000000000, 0.0010606300000000, 0.0001255700000000 ] - [ -0.0018517300000000, 0.0045551000000000, 0.0035672200000000 ] - [ -0.0005210700000000, 0.0001097700000000, -0.0019229700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0147657600000000, -0.0031591300000000, -0.0125249600000000 ] - [ -0.0066035900000000, 0.0016948200000000, -0.0142668000000000 ] - [ 0.0219161700000000, -0.0361142100000000, 0.0899777700000000 ] - [ 0.0005065800000000, 0.0002038300000000, -0.0062643700000000 ] - [ -0.0022401300000000, -0.0015238900000000, -0.0062042500000000 ] - [ -0.0318572300000000, -0.0183513000000000, 0.1340579300000000 ] - [ 0.0096448300000000, 0.1261358600000000, -0.3759051300000000 ] - [ 0.0002993400000000, -0.0021414500000000, 0.0057515900000000 ] - [ 0.0083058000000000, -0.0146379200000000, 0.0581263900000000 ] - [ -0.0034211000000000, 0.0010281400000000, 0.0094175100000000 ] - [ 0.0000850800000000, 0.0018921000000000, 0.0093798100000000 ] - [ 0.0103487900000000, 0.0142449800000000, 0.0593385000000000 ] - [ 0.0016901700000000, 0.0006545500000000, 0.0060119400000000 ] - [ 0.0040452800000000, -0.0007154000000000, -0.0019492100000000 ] - [ -0.0019344500000000, 0.0010224200000000, 0.0044404300000000 ] - [ -0.0013149300000000, 0.0010143300000000, 0.0037982800000000 ] - [ -0.0019536000000000, -0.0022047900000000, -0.0031532300000000 ] - [ -0.0003151300000000, -0.0016682900000000, 0.0058964800000000 ] - [ 0.0180703800000000, -0.0051573800000000, -0.0101136700000000 ] - [ -0.0001575100000000, 0.0001631600000000, 0.0028563100000000 ] - [ -0.0031073500000000, -0.0037096700000000, 0.0012207900000000 ] - [ 0.0020709400000000, 0.0021881900000000, 0.0029819100000000 ] - [ -0.0004874900000000, 0.0008096600000000, 0.0026046100000000 ] - [ 0.0053673200000000, -0.0308976900000000, 0.0232864200000000 ] - [ -0.0021407300000000, 0.0019152000000000, 0.0014591800000000 ] - [ -0.0009202500000000, 0.0025396400000000, -0.0061936100000000 ] - [ 0.0010522700000000, 0.0008340200000000, -0.0053750900000000 ] - [ 0.0025049500000000, 0.0009435300000000, 0.0015280800000000 ] - [ -0.0001987800000000, -0.0030525100000000, -0.0003491900000000 ] - [ 0.0010850600000000, -0.0038727600000000, 0.0017456200000000 ] - [ 0.0030559100000000, -0.0020246400000000, 0.0026768100000000 ] - [ -0.0321599200000000, -0.0051148800000000, 0.0099528300000000 ] - [ -0.0067558900000000, -0.0249612100000000, -0.0003954500000000 ] - [ -0.0026789100000000, -0.0006058400000000, 0.0030405900000000 ] - [ -0.0015855300000000, 0.0064318800000000, 0.0013784800000000 ] - [ 0.0032967700000000, 0.0005810700000000, 0.0035955500000000 ] - [ 0.0013085900000000, -0.0029381400000000, -0.0061707700000000 ] - [ -0.0122048900000000, 0.0023459900000000, -0.0040312900000000 ] - [ 0.0077230300000000, 0.0065662800000000, -0.0021898000000000 ] - [ 0.0008874700000000, -0.0003071100000000, -0.0062495600000000 ] - [ 0.0001308500000000, -0.0093582600000000, 0.0233227500000000 ] - [ -0.0015909200000000, -0.0001633100000000, -0.0070329100000000 ] - [ 0.0007953700000000, 0.0001064100000000, -0.0059565500000000 ] - [ -0.0009490100000000, -0.0028066600000000, 0.0080348600000000 ] - [ -0.0052791100000000, -0.0002568100000000, -0.0030717900000000 ] - [ 0.0024697300000000, 0.0004124400000000, -0.0046782000000000 ] - [ -0.0006362800000000, 0.0020225500000000, 0.0126115700000000 ] - [ -0.0009337000000000, -0.0000077800000000, -0.0064171400000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0137275400000000, 0.0021207500000000, 0.0115470300000000 ] - [ 0.0076457200000000, -0.0027031700000000, 0.0132313800000000 ] - [ -0.0239210600000000, 0.0417707000000000, -0.0943532100000000 ] - [ -0.0001242200000000, 0.0012629600000000, 0.0052594100000000 ] - [ 0.0007743600000000, 0.0011338400000000, 0.0052196800000000 ] - [ 0.0269644600000000, 0.0150891300000000, -0.1239720300000000 ] - [ -0.0030650800000000, -0.1297793200000000, 0.3684602000000000 ] - [ 0.0000570200000000, -0.0004196100000000, -0.0046011300000000 ] - [ -0.0110319100000000, 0.0159512000000000, -0.0581229400000000 ] - [ 0.0010129300000000, -0.0000637000000000, -0.0082256200000000 ] - [ 0.0019648000000000, -0.0003168900000000, -0.0082610600000000 ] - [ -0.0082369300000000, -0.0123100600000000, -0.0569112400000000 ] - [ 0.0023564100000000, 0.0001272300000000, -0.0007958200000000 ] - [ 0.0000390400000000, 0.0014949800000000, 0.0070858700000000 ] - [ -0.0007903900000000, 0.0020903400000000, 0.0007804000000000 ] - [ -0.0013945800000000, 0.0021114600000000, 0.0013856100000000 ] - [ 0.0005777400000000, -0.0017008800000000, 0.0083035600000000 ] - [ -0.0010321900000000, -0.0022332700000000, -0.0006972300000000 ] - [ -0.0154764500000000, 0.0061236000000000, 0.0098141300000000 ] - [ 0.0024965400000000, 0.0008711400000000, -0.0032519500000000 ] - [ 0.0028364200000000, 0.0011737400000000, -0.0016058400000000 ] - [ -0.0023042300000000, -0.0047102200000000, -0.0033722600000000 ] - [ -0.0015691400000000, 0.0006887600000000, -0.0029910600000000 ] - [ -0.0074102700000000, 0.0317942700000000, -0.0233502200000000 ] - [ -0.0009217500000000, 0.0012305000000000, -0.0046647500000000 ] - [ -0.0021512600000000, 0.0006083300000000, 0.0029226400000000 ] - [ 0.0032201700000000, 0.0002527500000000, 0.0021478200000000 ] - [ 0.0017588000000000, 0.0001431100000000, -0.0047231000000000 ] - [ -0.0009875700000000, -0.0011731600000000, -0.0028113500000000 ] - [ -0.0022523700000000, -0.0003783800000000, -0.0049287300000000 ] - [ 0.0009520800000000, -0.0012909900000000, -0.0028632800000000 ] - [ 0.0358298600000000, 0.0017409800000000, -0.0102248100000000 ] - [ 0.0018007800000000, 0.0230753500000000, 0.0003806700000000 ] - [ -0.0021997300000000, -0.0012058900000000, -0.0032200800000000 ] - [ 0.0024498900000000, -0.0013096500000000, -0.0015669400000000 ] - [ -0.0024115200000000, 0.0045283000000000, -0.0037737500000000 ] - [ 0.0008520000000000, -0.0000917300000000, 0.0055248800000000 ] - [ 0.0142424100000000, -0.0053984500000000, 0.0034425100000000 ] - [ -0.0060885200000000, -0.0031592300000000, 0.0015348500000000 ] - [ 0.0006843800000000, 0.0036846900000000, 0.0056264700000000 ] - [ -0.0039076900000000, 0.0089432500000000, -0.0236900600000000 ] - [ -0.0021375500000000, -0.0001758600000000, 0.0064189100000000 ] - [ -0.0010255200000000, -0.0011636300000000, 0.0049860300000000 ] - [ 0.0007052600000000, 0.0017600100000000, -0.0088612400000000 ] - [ 0.0063295100000000, 0.0005746700000000, 0.0021019600000000 ] - [ -0.0014268600000000, -0.0000803000000000, 0.0037501700000000 ] - [ -0.0000908000000000, -0.0014149700000000, -0.0135285400000000 ] - [ 0.0001345200000000, 0.0007333300000000, 0.0054440600000000 ]- atom: 13 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0006633600000000, 0.0044789100000000, -0.0019976400000000 ] - [ 0.0002956400000000, 0.0006110900000000, 0.0003380100000000 ] - [ 0.0006668300000000, 0.0013440000000000, -0.0000471700000000 ] - [ 0.0000951700000000, 0.0030280500000000, -0.0006974000000000 ] - [ -0.0053704200000000, 0.0152654200000000, -0.0047144900000000 ] - [ -0.0009945600000000, -0.0000083200000000, -0.0000004800000000 ] - [ 0.0004622000000000, -0.0016985900000000, 0.0002209500000000 ] - [ 0.0009203000000000, -0.0037249200000000, 0.0025413000000000 ] - [ -0.0005204900000000, -0.0002299100000000, 0.0003717600000000 ] - [ -0.0009983700000000, -0.0001752000000000, 0.0000546200000000 ] - [ 0.0006550900000000, -0.0038921200000000, 0.0014283200000000 ] - [ 0.0010217900000000, 0.0004727200000000, 0.0001316300000000 ] - [ -0.2114328700000000, 0.0284025000000000, 0.1346406600000000 ] - [ 0.0015785700000000, 0.0004098500000000, 0.0018744200000000 ] - [ 0.0018101500000000, 0.0007729300000000, 0.0080245200000000 ] - [ -0.0016099000000000, 0.0018226800000000, 0.0016307600000000 ] - [ -0.0011539800000000, -0.0020807200000000, 0.0026677400000000 ] - [ -0.0000493200000000, 0.0003080200000000, -0.0021538300000000 ] - [ 0.0013798600000000, 0.0009649300000000, -0.0004978900000000 ] - [ 0.0022576600000000, 0.0006659500000000, -0.0006773700000000 ] - [ -0.0006212600000000, -0.0035886600000000, 0.0016018300000000 ] - [ -0.0001451100000000, -0.0019123600000000, -0.0011334600000000 ] - [ 0.0298907600000000, -0.0120268700000000, -0.0008161700000000 ] - [ -0.0007154000000000, 0.0006110400000000, -0.0005469400000000 ] - [ 0.0053262300000000, -0.0026687300000000, -0.0029482400000000 ] - [ -0.0014515600000000, 0.0016071800000000, -0.0019962200000000 ] - [ 0.0039863100000000, 0.0000937000000000, -0.0006410100000000 ] - [ 0.0033062600000000, 0.0013427900000000, -0.0043610000000000 ] - [ 0.0005581900000000, 0.0028184200000000, -0.0121459600000000 ] - [ -0.0002906300000000, -0.0012668700000000, -0.0005319300000000 ] - [ 0.0130285400000000, -0.0031816200000000, 0.0017254000000000 ] - [ 0.0021587100000000, -0.0016142700000000, -0.0006872500000000 ] - [ -0.0031698000000000, -0.0015937800000000, 0.0003148000000000 ] - [ -0.0018667700000000, -0.0020740300000000, -0.0023686200000000 ] - [ -0.0006712900000000, -0.0028578300000000, -0.0044490800000000 ] - [ 0.0004895300000000, 0.0015391000000000, 0.0008767300000000 ] - [ 0.1648921000000000, -0.0144236900000000, -0.1199570000000000 ] - [ 0.0010445500000000, -0.0013609900000000, -0.0002081100000000 ] - [ -0.0000974500000000, 0.0042249900000000, -0.0030206800000000 ] - [ 0.0007837800000000, 0.0016095000000000, 0.0024244600000000 ] - [ -0.0022975200000000, -0.0003263300000000, 0.0003773900000000 ] - [ -0.0069784000000000, -0.0046084000000000, 0.0029549000000000 ] - [ -0.0009500000000000, -0.0013199300000000, 0.0017111700000000 ] - [ -0.0000049500000000, -0.0005711300000000, 0.0000038400000000 ] - [ -0.0007936100000000, -0.0049318700000000, -0.0032757300000000 ] - [ 0.0002784900000000, -0.0006551700000000, 0.0012286400000000 ] - [ -0.0000030400000000, 0.0010647600000000, 0.0028503000000000 ] - [ 0.0059633300000000, -0.0006662300000000, -0.0001204800000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0017254000000000, -0.0054933200000000, 0.0010051700000000 ] - [ 0.0007789400000000, -0.0016545200000000, -0.0012839600000000 ] - [ -0.0002858700000000, 0.0001382700000000, -0.0009041900000000 ] - [ 0.0003030900000000, -0.0015396700000000, -0.0002594500000000 ] - [ 0.0038759500000000, -0.0157851500000000, 0.0037964300000000 ] - [ -0.0004747900000000, -0.0003882900000000, -0.0009532900000000 ] - [ -0.0000790600000000, -0.0008663100000000, 0.0008884400000000 ] - [ -0.0005218600000000, 0.0011614700000000, -0.0014643600000000 ] - [ -0.0018694200000000, 0.0011697900000000, 0.0007300100000000 ] - [ -0.0014016500000000, 0.0011186900000000, 0.0010395600000000 ] - [ 0.0013864500000000, 0.0055123700000000, -0.0002798800000000 ] - [ 0.0010091400000000, 0.0011273200000000, 0.0009777000000000 ] - [ 0.2212559100000000, -0.0284220700000000, -0.1365920400000000 ] - [ 0.0024681600000000, 0.0003725200000000, 0.0033102200000000 ] - [ -0.0045131800000000, 0.0023548600000000, -0.0027970400000000 ] - [ -0.0010994500000000, 0.0013076000000000, 0.0035398800000000 ] - [ -0.0002036200000000, -0.0018284400000000, 0.0025068700000000 ] - [ -0.0013240500000000, -0.0041928000000000, 0.0072992000000000 ] - [ 0.0009777300000000, 0.0000747800000000, 0.0000837500000000 ] - [ 0.0001004700000000, 0.0003821000000000, 0.0002629300000000 ] - [ 0.0003362900000000, 0.0010288600000000, -0.0019931100000000 ] - [ -0.0001352500000000, -0.0006457300000000, 0.0007131300000000 ] - [ -0.0327943400000000, 0.0138451600000000, 0.0004317300000000 ] - [ -0.0013410500000000, 0.0009018100000000, 0.0001420500000000 ] - [ -0.0083532000000000, 0.0057674200000000, -0.0002660900000000 ] - [ -0.0016127800000000, 0.0015474200000000, -0.0012196500000000 ] - [ 0.0002898700000000, 0.0009786100000000, -0.0025750400000000 ] - [ 0.0009825700000000, -0.0002539100000000, 0.0011136500000000 ] - [ -0.0016986800000000, -0.0071002700000000, 0.0090312400000000 ] - [ -0.0009023200000000, -0.0029479200000000, -0.0026727300000000 ] - [ -0.0089739500000000, -0.0000576200000000, -0.0019393200000000 ] - [ 0.0018549000000000, -0.0016907300000000, 0.0004796200000000 ] - [ -0.0017073300000000, -0.0002341600000000, -0.0005104700000000 ] - [ -0.0029924300000000, 0.0002333800000000, 0.0021167900000000 ] - [ 0.0015861100000000, 0.0080066800000000, 0.0042891600000000 ] - [ 0.0003651200000000, 0.0035762800000000, -0.0010660200000000 ] - [ -0.1683883300000000, 0.0121846100000000, 0.1264996800000000 ] - [ 0.0011080700000000, -0.0016932400000000, -0.0003823800000000 ] - [ 0.0016637800000000, -0.0008193700000000, 0.0024383200000000 ] - [ 0.0007729200000000, 0.0017824600000000, -0.0029791800000000 ] - [ -0.0014276300000000, -0.0000139400000000, -0.0009431600000000 ] - [ 0.0032658300000000, 0.0042197300000000, -0.0034927200000000 ] - [ 0.0012447300000000, 0.0000450100000000, -0.0026469000000000 ] - [ -0.0002300400000000, -0.0004851600000000, -0.0009221300000000 ] - [ 0.0018354200000000, 0.0052363100000000, 0.0023356900000000 ] - [ 0.0007521400000000, 0.0009692600000000, -0.0021418300000000 ] - [ -0.0007840100000000, -0.0003319500000000, -0.0037640400000000 ] - [ -0.0068247400000000, 0.0014018300000000, -0.0009822500000000 ]- atom: 13 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0042575800000000, -0.0086019500000000, 0.0025376700000000 ] - [ 0.0006160900000000, -0.0011864700000000, -0.0010276900000000 ] - [ 0.0000429500000000, 0.0000209600000000, -0.0015770400000000 ] - [ 0.0005885300000000, -0.0016011700000000, -0.0005814400000000 ] - [ 0.0022394900000000, -0.0106686100000000, 0.0016468900000000 ] - [ -0.0006769700000000, -0.0003215200000000, -0.0008207200000000 ] - [ 0.0001928100000000, -0.0013087600000000, 0.0009495700000000 ] - [ -0.0002256000000000, 0.0004411500000000, -0.0014113700000000 ] - [ -0.0029369500000000, 0.0022679000000000, 0.0013088600000000 ] - [ -0.0013229700000000, 0.0009943000000000, 0.0009985200000000 ] - [ -0.0003218100000000, 0.0056869500000000, -0.0006978300000000 ] - [ 0.0010955000000000, 0.0010054600000000, 0.0009107500000000 ] - [ 0.1354207100000000, -0.0400780600000000, -0.0758109700000000 ] - [ 0.0022578600000000, 0.0004709000000000, 0.0029719800000000 ] - [ -0.0032139600000000, 0.0012293200000000, -0.0004452100000000 ] - [ -0.0011073200000000, 0.0011614600000000, 0.0032327400000000 ] - [ -0.0004512300000000, -0.0019773000000000, 0.0027089100000000 ] - [ 0.0005437700000000, -0.0016184500000000, 0.0018817900000000 ] - [ 0.0009689400000000, 0.0003717800000000, 0.0000700800000000 ] - [ 0.0013841200000000, 0.0017722900000000, 0.0008364100000000 ] - [ 0.0005065500000000, 0.0014815500000000, -0.0013911100000000 ] - [ -0.0002502300000000, -0.0007533200000000, 0.0005352300000000 ] - [ -0.0264901500000000, 0.0020069200000000, 0.0013734100000000 ] - [ -0.0011731900000000, 0.0008737000000000, -0.0000230700000000 ] - [ -0.0049440700000000, 0.0086812400000000, -0.0007155900000000 ] - [ -0.0016470400000000, 0.0015992600000000, -0.0014317300000000 ] - [ 0.0015844300000000, 0.0007140900000000, -0.0023381000000000 ] - [ 0.0010106100000000, -0.0000641500000000, 0.0008121400000000 ] - [ 0.0045679900000000, -0.0068660700000000, -0.0044863600000000 ] - [ -0.0007717300000000, -0.0025075500000000, -0.0025389400000000 ] - [ -0.0026747400000000, 0.0003908900000000, -0.0014506700000000 ] - [ 0.0019993100000000, -0.0016945700000000, 0.0001750000000000 ] - [ -0.0020119400000000, -0.0003282300000000, -0.0002207900000000 ] - [ -0.0034359400000000, -0.0002280300000000, 0.0020262100000000 ] - [ -0.0056153200000000, 0.0076962400000000, 0.0091768500000000 ] - [ 0.0003107200000000, 0.0031593100000000, -0.0002923700000000 ] - [ -0.0942501600000000, 0.0336314800000000, 0.0719108100000000 ] - [ 0.0010255800000000, -0.0020171300000000, -0.0003387600000000 ] - [ 0.0010971900000000, -0.0001622600000000, 0.0014367200000000 ] - [ 0.0008112200000000, 0.0021494000000000, -0.0024322400000000 ] - [ -0.0017072000000000, -0.0001714600000000, -0.0006885100000000 ] - [ -0.0035717100000000, -0.0029815700000000, -0.0000383900000000 ] - [ 0.0005895000000000, 0.0023001000000000, -0.0026610900000000 ] - [ -0.0001771200000000, -0.0005196400000000, -0.0007653800000000 ] - [ -0.0010281300000000, -0.0013965300000000, -0.0000843100000000 ] - [ 0.0004232400000000, 0.0003569300000000, -0.0010410300000000 ] - [ -0.0001768600000000, 0.0020930300000000, -0.0019839300000000 ] - [ -0.0033523500000000, 0.0044961800000000, -0.0002059300000000 ]- atom: 13 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.0031751300000000, 0.0075336800000000, -0.0035448700000000 ] - [ 0.0004605500000000, 0.0001384900000000, 0.0000840100000000 ] - [ 0.0003389000000000, 0.0014531500000000, 0.0006149400000000 ] - [ -0.0002058200000000, 0.0030863700000000, -0.0003615400000000 ] - [ -0.0036791400000000, 0.0102900700000000, -0.0025945800000000 ] - [ -0.0007934200000000, -0.0000788800000000, -0.0001316300000000 ] - [ 0.0001790700000000, -0.0012547000000000, 0.0001636700000000 ] - [ 0.0005952900000000, -0.0030106600000000, 0.0025093300000000 ] - [ 0.0005370500000000, -0.0013070000000000, -0.0001855000000000 ] - [ -0.0010671500000000, -0.0000418200000000, 0.0000965600000000 ] - [ 0.0023605600000000, -0.0041363800000000, 0.0018423900000000 ] - [ 0.0009367500000000, 0.0005830300000000, 0.0001996200000000 ] - [ -0.1300851900000000, 0.0418959300000000, 0.0790536300000000 ] - [ 0.0017845800000000, 0.0003136800000000, 0.0022170900000000 ] - [ 0.0004978800000000, 0.0019110900000000, 0.0056403100000000 ] - [ -0.0016055700000000, 0.0019700300000000, 0.0019332500000000 ] - [ -0.0009077800000000, -0.0019368300000000, 0.0024627600000000 ] - [ -0.0019041500000000, -0.0022843700000000, 0.0032951600000000 ] - [ 0.0013860400000000, 0.0006666900000000, -0.0004867200000000 ] - [ 0.0009591100000000, -0.0007376200000000, -0.0012639700000000 ] - [ -0.0007750300000000, -0.0040199900000000, 0.0009956900000000 ] - [ -0.0000234900000000, -0.0018116900000000, -0.0009631100000000 ] - [ 0.0240326200000000, -0.0006087400000000, -0.0017571700000000 ] - [ -0.0008848500000000, 0.0006316900000000, -0.0003835200000000 ] - [ 0.0019067800000000, -0.0055454400000000, -0.0024930900000000 ] - [ -0.0014195100000000, 0.0015508400000000, -0.0017890700000000 ] - [ 0.0026857600000000, 0.0003651100000000, -0.0008869000000000 ] - [ 0.0032732500000000, 0.0011513200000000, -0.0040513700000000 ] - [ -0.0057045600000000, 0.0026497300000000, 0.0011932000000000 ] - [ -0.0004177400000000, -0.0017069500000000, -0.0006801700000000 ] - [ 0.0066892000000000, -0.0036942400000000, 0.0012593100000000 ] - [ 0.0020120400000000, -0.0016153600000000, -0.0003838900000000 ] - [ -0.0028637800000000, -0.0014893800000000, 0.0000165700000000 ] - [ -0.0014223400000000, -0.0016068100000000, -0.0022713100000000 ] - [ 0.0064192000000000, -0.0025493500000000, -0.0091768900000000 ] - [ 0.0005502000000000, 0.0019516400000000, 0.0000927700000000 ] - [ 0.0950014400000000, -0.0374388700000000, -0.0706064000000000 ] - [ 0.0011299600000000, -0.0010379900000000, -0.0002427300000000 ] - [ 0.0004560600000000, 0.0035504500000000, -0.0020309300000000 ] - [ 0.0007437700000000, 0.0012447000000000, 0.0018779300000000 ] - [ -0.0020189400000000, -0.0001769800000000, 0.0001240100000000 ] - [ -0.0001434800000000, 0.0026448000000000, -0.0005386700000000 ] - [ -0.0003819000000000, -0.0034728600000000, 0.0017276000000000 ] - [ -0.0000620500000000, -0.0005308100000000, -0.0001521500000000 ] - [ 0.0020525300000000, 0.0016810500000000, -0.0008567800000000 ] - [ 0.0006082800000000, -0.0000421500000000, 0.0001284400000000 ] - [ -0.0006074200000000, -0.0013376100000000, 0.0010719300000000 ] - [ 0.0025515600000000, -0.0037900600000000, -0.0007672000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0058715500000000, -0.0090661800000000, 0.0061015000000000 ] - [ -0.0007426700000000, 0.0010587400000000, -0.0032174400000000 ] - [ 0.0002141500000000, 0.0010105200000000, -0.0040840600000000 ] - [ 0.0004269200000000, -0.0005799200000000, -0.0008551800000000 ] - [ 0.0006512700000000, -0.0027388100000000, 0.0054791200000000 ] - [ -0.0011947900000000, 0.0001873800000000, -0.0044683600000000 ] - [ -0.0001904900000000, -0.0017842500000000, 0.0039634100000000 ] - [ 0.0013124100000000, -0.0015411900000000, -0.0039348300000000 ] - [ -0.0033285300000000, 0.0023234100000000, 0.0023869700000000 ] - [ -0.0011757700000000, 0.0004266800000000, 0.0017707300000000 ] - [ -0.0004557800000000, 0.0013350400000000, -0.0051865500000000 ] - [ 0.0021191200000000, 0.0006277700000000, 0.0038580700000000 ] - [ 0.1409889700000000, -0.0111216900000000, -0.1667077600000000 ] - [ 0.0013168200000000, 0.0004151300000000, 0.0067368700000000 ] - [ 0.0041160000000000, -0.0007579800000000, 0.0062613800000000 ] - [ -0.0015561600000000, 0.0015348000000000, 0.0049512700000000 ] - [ -0.0000167300000000, -0.0012258200000000, 0.0049501700000000 ] - [ -0.0037070600000000, -0.0064261200000000, 0.0062164600000000 ] - [ 0.0000798500000000, -0.0003105600000000, 0.0020825600000000 ] - [ 0.0017022900000000, 0.0019516200000000, -0.0006902400000000 ] - [ -0.0001836600000000, 0.0002472500000000, -0.0018312300000000 ] - [ -0.0002281900000000, -0.0011071800000000, 0.0016853500000000 ] - [ -0.0036528100000000, 0.0031284800000000, -0.0107502900000000 ] - [ -0.0000284700000000, -0.0000724000000000, 0.0031204700000000 ] - [ -0.0024886000000000, 0.0019258900000000, -0.0051468500000000 ] - [ -0.0018744000000000, 0.0019473500000000, 0.0013469500000000 ] - [ 0.0019968700000000, 0.0002179300000000, 0.0020145200000000 ] - [ 0.0059471900000000, 0.0018583500000000, -0.0025340700000000 ] - [ -0.0123395600000000, -0.0093783600000000, 0.0090054600000000 ] - [ -0.0007309900000000, -0.0010796400000000, 0.0043363400000000 ] - [ -0.0008771900000000, -0.0010474100000000, -0.0042140600000000 ] - [ 0.0023987200000000, -0.0019423100000000, 0.0026530500000000 ] - [ -0.0023914500000000, -0.0013309200000000, 0.0021260900000000 ] - [ -0.0041102900000000, 0.0006412500000000, 0.0012923700000000 ] - [ -0.0087424000000000, 0.0138656700000000, 0.0049080200000000 ] - [ 0.0001971700000000, 0.0009873000000000, 0.0060639200000000 ] - [ -0.1215692300000000, 0.0086646000000000, 0.1467827900000000 ] - [ 0.0016412700000000, -0.0010697800000000, -0.0090969800000000 ] - [ 0.0017180600000000, 0.0043333500000000, -0.0042093600000000 ] - [ 0.0012027900000000, 0.0021018200000000, -0.0037828700000000 ] - [ -0.0012144700000000, -0.0000977400000000, -0.0062576000000000 ] - [ 0.0001202400000000, 0.0026938600000000, 0.0069513200000000 ] - [ 0.0030845900000000, -0.0023788100000000, 0.0080028100000000 ] - [ 0.0006138500000000, -0.0006301500000000, -0.0054029700000000 ] - [ -0.0003401400000000, 0.0029938800000000, 0.0016281700000000 ] - [ 0.0007729200000000, 0.0001180700000000, -0.0042380200000000 ] - [ -0.0016236200000000, -0.0008259100000000, -0.0090566200000000 ] - [ -0.0037295700000000, -0.0000830600000000, -0.0010107900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0047376500000000, 0.0079632400000000, -0.0069894700000000 ] - [ 0.0018349500000000, -0.0021386000000000, 0.0022574400000000 ] - [ 0.0001617200000000, 0.0004693200000000, 0.0031340900000000 ] - [ -0.0000432300000000, 0.0020574100000000, -0.0001334200000000 ] - [ -0.0021256800000000, 0.0024077100000000, -0.0064787900000000 ] - [ -0.0002713200000000, -0.0005932600000000, 0.0035166400000000 ] - [ 0.0005441700000000, -0.0007704200000000, -0.0028488700000000 ] - [ -0.0009649000000000, -0.0010167500000000, 0.0050958000000000 ] - [ 0.0009370400000000, -0.0013459100000000, -0.0012798400000000 ] - [ -0.0012099500000000, 0.0005571000000000, -0.0006402400000000 ] - [ 0.0024764600000000, 0.0002396000000000, 0.0062742600000000 ] - [ -0.0000849200000000, 0.0009512300000000, -0.0027365400000000 ] - [ -0.1302177900000000, 0.0111708100000000, 0.1682520000000000 ] - [ 0.0027479500000000, 0.0003721300000000, -0.0015613400000000 ] - [ -0.0067586100000000, 0.0038840300000000, -0.0010390300000000 ] - [ -0.0011535700000000, 0.0015880600000000, 0.0002351000000000 ] - [ -0.0013291900000000, -0.0026813000000000, 0.0002256900000000 ] - [ 0.0023837000000000, 0.0025575900000000, -0.0010797200000000 ] - [ 0.0022639600000000, 0.0013479300000000, -0.0024970300000000 ] - [ 0.0006298300000000, -0.0009268200000000, 0.0003041900000000 ] - [ -0.0000937300000000, -0.0027868700000000, 0.0014179500000000 ] - [ -0.0000393800000000, -0.0014329000000000, -0.0020900600000000 ] - [ 0.0016570800000000, -0.0016605800000000, 0.0102536800000000 ] - [ -0.0020394300000000, 0.0015804000000000, -0.0035329700000000 ] - [ -0.0005943700000000, 0.0012279800000000, 0.0019352400000000 ] - [ -0.0011884100000000, 0.0011950400000000, -0.0045684500000000 ] - [ 0.0022581700000000, 0.0008615900000000, -0.0052320500000000 ] - [ -0.0017131700000000, -0.0007916100000000, -0.0006378600000000 ] - [ 0.0109080800000000, 0.0049504700000000, -0.0120612500000000 ] - [ -0.0004585600000000, -0.0031720900000000, -0.0075842100000000 ] - [ 0.0048850300000000, -0.0022814000000000, 0.0040216200000000 ] - [ 0.0015956400000000, -0.0013688900000000, -0.0028669800000000 ] - [ -0.0024811500000000, -0.0004783100000000, -0.0023375600000000 ] - [ -0.0007510600000000, -0.0024772700000000, -0.0015197000000000 ] - [ 0.0094274400000000, -0.0085334800000000, -0.0050042400000000 ] - [ 0.0006778200000000, 0.0041602800000000, -0.0063171600000000 ] - [ 0.1175013400000000, -0.0110550200000000, -0.1433659900000000 ] - [ 0.0005108700000000, -0.0019891200000000, 0.0085400600000000 ] - [ -0.0001390000000000, -0.0009325300000000, 0.0036318800000000 ] - [ 0.0003592700000000, 0.0012940100000000, 0.0031727500000000 ] - [ -0.0025158000000000, -0.0002449300000000, 0.0056930500000000 ] - [ -0.0038274700000000, -0.0030381300000000, -0.0075984000000000 ] - [ -0.0033369500000000, 0.0013328500000000, -0.0089917500000000 ] - [ -0.0008487500000000, -0.0004233200000000, 0.0044774700000000 ] - [ 0.0013638100000000, -0.0026440500000000, -0.0025115100000000 ] - [ 0.0002572800000000, 0.0002084300000000, 0.0032955900000000 ] - [ 0.0008311700000000, 0.0015573000000000, 0.0081187900000000 ] - [ 0.0027112600000000, 0.0008490400000000, -0.0003488700000000 ]- atom: 19 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0072427100000000, -0.0006373400000000, 0.0070941200000000 ] - [ -0.0005563700000000, -0.0006063300000000, -0.0015131900000000 ] - [ 0.0623478100000000, -0.0229923700000000, -0.0005352900000000 ] - [ 0.0004728800000000, 0.0005373500000000, 0.0005577700000000 ] - [ 0.0009089400000000, 0.0006818600000000, 0.0017749000000000 ] - [ 0.0062677500000000, 0.0044353200000000, -0.0165252400000000 ] - [ 0.0347717000000000, -0.0307001700000000, 0.0174000700000000 ] - [ -0.0001113100000000, -0.0011634000000000, -0.0007717800000000 ] - [ 0.0186461900000000, -0.0096527000000000, -0.0299091800000000 ] - [ -0.0019255600000000, 0.0003653000000000, 0.0003364200000000 ] - [ 0.0010693900000000, 0.0005198300000000, -0.0035339500000000 ] - [ 0.0017724000000000, 0.0015581600000000, 0.0041576000000000 ] - [ 0.0022316800000000, 0.0002677400000000, 0.0015021100000000 ] - [ 0.0030977100000000, 0.0012609300000000, 0.0031385100000000 ] - [ -0.0008883600000000, 0.0044289500000000, 0.0012798700000000 ] - [ -0.0015039400000000, 0.0021199200000000, 0.0024954000000000 ] - [ 0.0129946000000000, 0.0209114600000000, 0.0059727600000000 ] - [ -0.0005002600000000, -0.0017302800000000, 0.0013705900000000 ] - [ -0.2644023700000000, -0.0346079200000000, 0.0915528500000000 ] - [ 0.0010149700000000, 0.0004286300000000, -0.0010654000000000 ] - [ 0.0029573000000000, -0.0005132600000000, -0.0022894900000000 ] - [ 0.0004814700000000, -0.0017434700000000, -0.0007375500000000 ] - [ -0.0012473900000000, 0.0007342100000000, -0.0011510200000000 ] - [ -0.0011105400000000, -0.0018479600000000, 0.0022966200000000 ] - [ -0.0009225200000000, 0.0010411500000000, -0.0014764500000000 ] - [ 0.0093997300000000, 0.0034480600000000, -0.0174164600000000 ] - [ 0.0114872600000000, 0.0011163000000000, 0.0012436700000000 ] - [ 0.0020910100000000, 0.0004359700000000, -0.0023608400000000 ] - [ -0.0013032400000000, -0.0024202600000000, -0.0022263300000000 ] - [ -0.0007256500000000, -0.0029220700000000, -0.0021302000000000 ] - [ 0.0007391200000000, -0.0012265100000000, 0.0003802000000000 ] - [ -0.0078674700000000, -0.0024546400000000, 0.0014594700000000 ] - [ 0.0467099500000000, 0.0307516500000000, -0.0123384200000000 ] - [ -0.0023166400000000, -0.0009671100000000, -0.0009363900000000 ] - [ 0.0033088800000000, -0.0001687500000000, -0.0009746800000000 ] - [ 0.0010520100000000, 0.0026769200000000, -0.0001009600000000 ] - [ 0.0008674400000000, -0.0007173500000000, 0.0018097100000000 ] - [ 0.0000095500000000, -0.0002709200000000, -0.0008258900000000 ] - [ -0.0081833300000000, -0.0057330300000000, 0.0049818700000000 ] - [ 0.0007631200000000, 0.0021980000000000, 0.0011003100000000 ] - [ 0.0805923500000000, 0.0418736000000000, -0.0502167400000000 ] - [ -0.0017656400000000, -0.0001034100000000, 0.0009631700000000 ] - [ -0.0007002000000000, -0.0009734500000000, 0.0015712000000000 ] - [ -0.0059205300000000, 0.0007942700000000, -0.0036374200000000 ] - [ 0.0067472600000000, 0.0013993200000000, -0.0042367600000000 ] - [ 0.0025994200000000, -0.0013315900000000, 0.0037652400000000 ] - [ -0.0057763200000000, 0.0009558500000000, -0.0021460600000000 ] - [ -0.0004315300000000, 0.0005435700000000, 0.0008512400000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0083076400000000, -0.0004114200000000, -0.0080701500000000 ] - [ 0.0016400600000000, -0.0004523100000000, 0.0005655900000000 ] - [ -0.0541807000000000, 0.0221310400000000, -0.0024467200000000 ] - [ -0.0000928000000000, 0.0009379900000000, -0.0015129100000000 ] - [ -0.0023691900000000, -0.0010751500000000, -0.0027205100000000 ] - [ -0.0076473600000000, -0.0048368200000000, 0.0155571300000000 ] - [ -0.0340547800000000, 0.0277039000000000, -0.0161529800000000 ] - [ 0.0004872500000000, -0.0014007000000000, 0.0018774800000000 ] - [ -0.0208891000000000, 0.0104470000000000, 0.0307661100000000 ] - [ -0.0004674400000000, 0.0005903800000000, 0.0007673600000000 ] - [ 0.0009650600000000, 0.0010766600000000, 0.0046244700000000 ] - [ 0.0002476600000000, 0.0000362000000000, -0.0030478200000000 ] - [ 0.0018154700000000, 0.0005146300000000, 0.0036852400000000 ] - [ 0.0009378700000000, -0.0004798000000000, 0.0020587500000000 ] - [ -0.0018113900000000, -0.0012859600000000, 0.0038628700000000 ] - [ -0.0012076400000000, 0.0010149400000000, 0.0026765500000000 ] - [ -0.0145302600000000, -0.0252486100000000, -0.0008303000000000 ] - [ -0.0008463300000000, -0.0021675200000000, 0.0038136800000000 ] - [ 0.2594496400000000, 0.0408276700000000, -0.0921184200000000 ] - [ 0.0013293700000000, 0.0005980600000000, 0.0006578700000000 ] - [ -0.0032313600000000, -0.0020616900000000, 0.0018586800000000 ] - [ -0.0007590800000000, -0.0008175700000000, 0.0003245900000000 ] - [ -0.0008117700000000, 0.0007726800000000, 0.0007443300000000 ] - [ -0.0009617300000000, 0.0033624900000000, -0.0026907400000000 ] - [ -0.0021307200000000, 0.0020960800000000, -0.0017424700000000 ] - [ -0.0125744100000000, -0.0003244500000000, 0.0144861800000000 ] - [ -0.0071837400000000, 0.0000043000000000, -0.0044496700000000 ] - [ 0.0021857000000000, 0.0006459100000000, -0.0008477900000000 ] - [ 0.0001081400000000, -0.0018130300000000, -0.0009844300000000 ] - [ -0.0004635800000000, -0.0013018500000000, -0.0010939800000000 ] - [ 0.0032576900000000, -0.0020744200000000, -0.0005904400000000 ] - [ 0.0119138100000000, -0.0007904800000000, -0.0017078300000000 ] - [ -0.0507259100000000, -0.0320492400000000, 0.0119971200000000 ] - [ -0.0025620900000000, -0.0008574500000000, 0.0007374400000000 ] - [ -0.0024422100000000, 0.0052758200000000, 0.0007739300000000 ] - [ -0.0001971900000000, 0.0024412900000000, -0.0001185800000000 ] - [ 0.0012923100000000, -0.0023426600000000, -0.0023900100000000 ] - [ 0.0021388100000000, -0.0027790400000000, 0.0002569100000000 ] - [ 0.0097774700000000, 0.0091866900000000, -0.0055819300000000 ] - [ 0.0007970400000000, 0.0011878300000000, -0.0016759400000000 ] - [ -0.0860238200000000, -0.0446275700000000, 0.0519813200000000 ] - [ -0.0019567500000000, -0.0002403500000000, -0.0015321100000000 ] - [ 0.0004572400000000, -0.0000834000000000, -0.0024798300000000 ] - [ 0.0056884200000000, -0.0018753400000000, 0.0026820900000000 ] - [ -0.0057302000000000, -0.0011080900000000, 0.0032759700000000 ] - [ -0.0015852300000000, 0.0016643600000000, -0.0046808800000000 ] - [ 0.0049961200000000, -0.0001962300000000, 0.0012092200000000 ] - [ -0.0003560000000000, 0.0001852500000000, -0.0017744300000000 ]- atom: 19 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0068258100000000, -0.0015049200000000, -0.0056053000000000 ] - [ 0.0015659100000000, -0.0007072600000000, 0.0007706700000000 ] - [ -0.0402894800000000, 0.0467418800000000, -0.0033666500000000 ] - [ 0.0001356300000000, 0.0008579800000000, -0.0006565700000000 ] - [ -0.0012071100000000, -0.0010669500000000, -0.0012659100000000 ] - [ -0.0003429600000000, -0.0025006700000000, 0.0105431700000000 ] - [ -0.0404997200000000, 0.0231026500000000, -0.0125690000000000 ] - [ 0.0002427300000000, -0.0011664100000000, 0.0009093300000000 ] - [ -0.0192996300000000, 0.0043920500000000, 0.0243939300000000 ] - [ -0.0008012100000000, 0.0004976400000000, 0.0002308100000000 ] - [ 0.0005411800000000, 0.0010780500000000, 0.0027376500000000 ] - [ -0.0001288000000000, -0.0003900700000000, -0.0024095900000000 ] - [ 0.0023127900000000, 0.0005302500000000, 0.0024155500000000 ] - [ 0.0016187900000000, 0.0012851500000000, 0.0035717900000000 ] - [ -0.0015179300000000, 0.0009126000000000, 0.0025451200000000 ] - [ -0.0012363600000000, 0.0016280500000000, 0.0024894900000000 ] - [ 0.0108987200000000, -0.0033384900000000, 0.0018664400000000 ] - [ -0.0007026600000000, -0.0018895900000000, 0.0028077500000000 ] - [ 0.0970536700000000, -0.1091607600000000, 0.0109315300000000 ] - [ 0.0011703400000000, 0.0005255700000000, -0.0000162600000000 ] - [ -0.0018948000000000, -0.0029046900000000, -0.0002028100000000 ] - [ -0.0004665900000000, -0.0012327200000000, -0.0000023100000000 ] - [ -0.0013167900000000, 0.0013077800000000, -0.0003418500000000 ] - [ -0.0023738400000000, 0.0035518200000000, -0.0016798100000000 ] - [ -0.0016290500000000, 0.0015947300000000, -0.0013220200000000 ] - [ -0.0096538300000000, -0.0048755500000000, 0.0093639200000000 ] - [ -0.0012972000000000, 0.0020801900000000, -0.0025236700000000 ] - [ 0.0021095100000000, 0.0005578500000000, -0.0014676000000000 ] - [ -0.0002749600000000, -0.0008918800000000, -0.0030234400000000 ] - [ -0.0007395700000000, -0.0017527100000000, -0.0012954500000000 ] - [ 0.0023129400000000, -0.0016483300000000, -0.0002323600000000 ] - [ 0.0073975200000000, 0.0030363300000000, -0.0108852000000000 ] - [ -0.0042939600000000, -0.0089807200000000, 0.0009065100000000 ] - [ -0.0024875400000000, -0.0008753100000000, 0.0000084200000000 ] - [ -0.0009336200000000, 0.0051243400000000, -0.0019500500000000 ] - [ -0.0001704200000000, 0.0027998000000000, -0.0000940600000000 ] - [ 0.0009814900000000, -0.0022515600000000, 0.0000799000000000 ] - [ 0.0033645800000000, -0.0029949300000000, -0.0008657400000000 ] - [ 0.0049531100000000, 0.0040102300000000, 0.0004387500000000 ] - [ 0.0008809900000000, 0.0014022500000000, -0.0005352200000000 ] - [ -0.0062682700000000, 0.0495296900000000, -0.0196487500000000 ] - [ -0.0017978300000000, -0.0003358900000000, -0.0005983400000000 ] - [ -0.0000358800000000, -0.0000895600000000, -0.0008141100000000 ] - [ 0.0024347700000000, -0.0027885000000000, -0.0004586500000000 ] - [ -0.0026406600000000, 0.0027904900000000, 0.0004916800000000 ] - [ -0.0016287400000000, 0.0018161300000000, -0.0013926800000000 ] - [ -0.0005210800000000, -0.0080862400000000, -0.0016483300000000 ] - [ -0.0003500000000000, 0.0002802200000000, -0.0006306900000000 ]- atom: 19 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.0057494500000000, 0.0004548700000000, 0.0046385600000000 ] - [ -0.0004873100000000, -0.0003545600000000, -0.0017218100000000 ] - [ 0.0444886100000000, -0.0457395400000000, 0.0014314800000000 ] - [ 0.0002439600000000, 0.0006171000000000, -0.0002965000000000 ] - [ -0.0002502300000000, 0.0006654400000000, 0.0003214200000000 ] - [ -0.0010347000000000, 0.0020921800000000, -0.0115603300000000 ] - [ 0.0415605900000000, -0.0259508800000000, 0.0139718100000000 ] - [ 0.0001353200000000, -0.0013969400000000, 0.0001943200000000 ] - [ 0.0171026200000000, -0.0034419500000000, -0.0235094400000000 ] - [ -0.0016008700000000, 0.0004546900000000, 0.0008733500000000 ] - [ 0.0014891500000000, 0.0005217300000000, -0.0016421200000000 ] - [ 0.0021531400000000, 0.0019979500000000, 0.0035362500000000 ] - [ 0.0017478700000000, 0.0002517800000000, 0.0027586700000000 ] - [ 0.0024425700000000, -0.0005013000000000, 0.0016246900000000 ] - [ -0.0011925700000000, 0.0022126500000000, 0.0026383400000000 ] - [ -0.0014750100000000, 0.0015051100000000, 0.0026810800000000 ] - [ -0.0120982400000000, -0.0003800900000000, 0.0033605100000000 ] - [ -0.0006420700000000, -0.0020060100000000, 0.0023778000000000 ] - [ -0.0994912400000000, 0.1097553300000000, -0.0103256500000000 ] - [ 0.0011690100000000, 0.0005032400000000, -0.0003916800000000 ] - [ 0.0016259500000000, 0.0003632300000000, -0.0002073600000000 ] - [ 0.0001977500000000, -0.0013295400000000, -0.0004184100000000 ] - [ -0.0007476700000000, 0.0002082600000000, -0.0000705600000000 ] - [ 0.0003032100000000, -0.0020508100000000, 0.0012881000000000 ] - [ -0.0014200900000000, 0.0015397300000000, -0.0019019600000000 ] - [ 0.0065656200000000, 0.0079787600000000, -0.0124713800000000 ] - [ 0.0055393200000000, -0.0009750800000000, -0.0006879800000000 ] - [ 0.0021681200000000, 0.0005225800000000, -0.0017402900000000 ] - [ -0.0009201100000000, -0.0033241500000000, -0.0002221500000000 ] - [ -0.0004515100000000, -0.0024661100000000, -0.0019385700000000 ] - [ 0.0016776600000000, -0.0016534400000000, 0.0000238700000000 ] - [ -0.0034481600000000, -0.0063525800000000, 0.0107942400000000 ] - [ -0.0006824300000000, 0.0071489500000000, -0.0010490500000000 ] - [ -0.0023881500000000, -0.0009494600000000, -0.0002112400000000 ] - [ 0.0017979800000000, 0.0000091500000000, 0.0017135000000000 ] - [ 0.0010324400000000, 0.0023214500000000, -0.0001166100000000 ] - [ 0.0011732600000000, -0.0008048800000000, -0.0006538400000000 ] - [ -0.0012152400000000, -0.0000555800000000, 0.0002775100000000 ] - [ -0.0033689800000000, -0.0006229100000000, -0.0010174800000000 ] - [ 0.0006766800000000, 0.0019885800000000, -0.0000377800000000 ] - [ 0.0026547600000000, -0.0490484400000000, 0.0187413600000000 ] - [ -0.0019233800000000, -0.0000089800000000, 0.0000322400000000 ] - [ -0.0002033200000000, -0.0009688200000000, -0.0001027000000000 ] - [ -0.0026845900000000, 0.0017353600000000, -0.0004812000000000 ] - [ 0.0036919400000000, -0.0024329500000000, -0.0014222900000000 ] - [ 0.0026668900000000, -0.0015021900000000, 0.0004876200000000 ] - [ -0.0003849400000000, 0.0090172900000000, 0.0007177900000000 ] - [ -0.0004441800000000, 0.0004517800000000, -0.0002861300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0059158300000000, 0.0010348800000000, -0.0065468500000000 ] - [ 0.0006049900000000, -0.0006719700000000, -0.0035013200000000 ] - [ -0.0024958300000000, 0.0006929500000000, 0.0374597700000000 ] - [ 0.0005447800000000, 0.0010442800000000, -0.0038129000000000 ] - [ -0.0003100400000000, -0.0003538700000000, -0.0033884000000000 ] - [ -0.0099091300000000, 0.0004229100000000, 0.0023678300000000 ] - [ 0.0116898300000000, -0.0076168500000000, -0.0094948000000000 ] - [ -0.0001667200000000, -0.0020065000000000, 0.0036180200000000 ] - [ -0.0293626600000000, 0.0099120300000000, 0.0238007300000000 ] - [ -0.0013077100000000, 0.0009243300000000, 0.0033554600000000 ] - [ 0.0008280800000000, 0.0008562100000000, 0.0037545900000000 ] - [ 0.0020951500000000, 0.0007968400000000, 0.0019615400000000 ] - [ 0.0017319300000000, 0.0005448300000000, 0.0048892300000000 ] - [ 0.0015540500000000, 0.0013382700000000, 0.0020882300000000 ] - [ -0.0019608100000000, 0.0032779300000000, 0.0009838300000000 ] - [ -0.0011841200000000, 0.0005937400000000, 0.0044773300000000 ] - [ 0.0009229300000000, -0.0021378000000000, -0.0079523700000000 ] - [ -0.0004932900000000, -0.0016645100000000, 0.0059187600000000 ] - [ 0.0941100400000000, 0.0669887300000000, -0.1300660900000000 ] - [ 0.0003165000000000, 0.0002360400000000, 0.0024801100000000 ] - [ -0.0016252100000000, -0.0032937700000000, -0.0006579200000000 ] - [ -0.0002786300000000, -0.0000993700000000, 0.0015792500000000 ] - [ -0.0007009100000000, 0.0003307400000000, 0.0015851400000000 ] - [ 0.0010490300000000, -0.0004351900000000, -0.0006847200000000 ] - [ -0.0014512800000000, 0.0011962500000000, 0.0025270900000000 ] - [ -0.0109982800000000, -0.0001248500000000, 0.0040712100000000 ] - [ -0.0003985100000000, -0.0003923100000000, -0.0052272800000000 ] - [ 0.0026165200000000, 0.0006528000000000, 0.0006477700000000 ] - [ -0.0007321900000000, -0.0052234100000000, 0.0000784000000000 ] - [ -0.0003794000000000, -0.0017064000000000, 0.0003280000000000 ] - [ 0.0016239800000000, -0.0015984100000000, 0.0035071400000000 ] - [ 0.0027813500000000, -0.0147507100000000, 0.0106498600000000 ] - [ -0.0145508100000000, -0.0081982200000000, -0.0061270300000000 ] - [ -0.0028896000000000, -0.0011173500000000, 0.0020938100000000 ] - [ -0.0005660000000000, 0.0052850900000000, 0.0003903500000000 ] - [ 0.0003282300000000, 0.0024043100000000, 0.0017805300000000 ] - [ 0.0013955400000000, -0.0015820200000000, -0.0032412400000000 ] - [ 0.0008507400000000, -0.0019722200000000, -0.0034399300000000 ] - [ 0.0028612500000000, 0.0043761600000000, 0.0029633200000000 ] - [ 0.0004795800000000, 0.0012599300000000, -0.0049906000000000 ] - [ -0.0491178300000000, -0.0483208100000000, 0.0761744600000000 ] - [ -0.0016007100000000, -0.0007392200000000, -0.0068885400000000 ] - [ -0.0000434000000000, -0.0002092300000000, -0.0032964600000000 ] - [ 0.0023207500000000, -0.0010307800000000, 0.0022619600000000 ] - [ -0.0038662000000000, -0.0026007000000000, -0.0040052300000000 ] - [ 0.0004928000000000, 0.0006340300000000, -0.0078257300000000 ] - [ -0.0000018800000000, 0.0030709000000000, 0.0078350500000000 ] - [ -0.0007227400000000, -0.0000277100000000, -0.0044813700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0047621000000000, -0.0021021100000000, 0.0055195100000000 ] - [ 0.0004828200000000, -0.0003871600000000, 0.0025518900000000 ] - [ 0.0032386100000000, 0.0009195500000000, -0.0386087300000000 ] - [ -0.0001725100000000, 0.0004364000000000, 0.0028477800000000 ] - [ -0.0011814000000000, -0.0000539100000000, 0.0024135800000000 ] - [ 0.0083369100000000, -0.0008596000000000, -0.0031608200000000 ] - [ -0.0115331700000000, 0.0051920000000000, 0.0104304700000000 ] - [ 0.0005376600000000, -0.0005573300000000, -0.0024948100000000 ] - [ 0.0273206700000000, -0.0091300000000000, -0.0228426600000000 ] - [ -0.0010771800000000, 0.0000425300000000, -0.0022458400000000 ] - [ 0.0012158300000000, 0.0007336500000000, -0.0025997200000000 ] - [ -0.0000561800000000, 0.0007790400000000, -0.0008736500000000 ] - [ 0.0023136600000000, 0.0002386400000000, 0.0003143200000000 ] - [ 0.0024971400000000, -0.0005425800000000, 0.0030828000000000 ] - [ -0.0007474500000000, -0.0001853400000000, 0.0042408300000000 ] - [ -0.0015274400000000, 0.0025280400000000, 0.0007017700000000 ] - [ -0.0022098000000000, -0.0017714400000000, 0.0130514100000000 ] - [ -0.0008577700000000, -0.0022472800000000, -0.0007358300000000 ] - [ -0.0895048100000000, -0.0635996300000000, 0.1286427600000000 ] - [ 0.0020362700000000, 0.0007958200000000, -0.0028863000000000 ] - [ 0.0013349100000000, 0.0007547700000000, 0.0002810800000000 ] - [ 0.0000002100000000, -0.0024467500000000, -0.0019847900000000 ] - [ -0.0013551400000000, 0.0011790300000000, -0.0019791500000000 ] - [ -0.0030994400000000, 0.0019587900000000, 0.0002481000000000 ] - [ -0.0016215500000000, 0.0019639200000000, -0.0057723500000000 ] - [ 0.0076715300000000, 0.0032199500000000, -0.0070687200000000 ] - [ 0.0046577600000000, 0.0014714300000000, 0.0019969000000000 ] - [ 0.0016379900000000, 0.0004252400000000, -0.0038657100000000 ] - [ -0.0004641600000000, 0.0010209400000000, -0.0033172300000000 ] - [ -0.0008099500000000, -0.0025128800000000, -0.0035479800000000 ] - [ 0.0024012000000000, -0.0017179100000000, -0.0037382900000000 ] - [ 0.0012879100000000, 0.0111201800000000, -0.0106576900000000 ] - [ 0.0095118100000000, 0.0062599000000000, 0.0060757000000000 ] - [ -0.0019830700000000, -0.0006951300000000, -0.0022898300000000 ] - [ 0.0014047000000000, -0.0001625500000000, -0.0005828200000000 ] - [ 0.0005329600000000, 0.0027172300000000, -0.0019925700000000 ] - [ 0.0007632600000000, -0.0014710000000000, 0.0026131500000000 ] - [ 0.0013124300000000, -0.0011014500000000, 0.0028719600000000 ] - [ -0.0012590400000000, -0.0009567500000000, -0.0036077200000000 ] - [ 0.0010868400000000, 0.0021345700000000, 0.0044030000000000 ] - [ 0.0429855900000000, 0.0461731000000000, -0.0755250200000000 ] - [ -0.0021337100000000, 0.0004019000000000, 0.0063269400000000 ] - [ -0.0001828100000000, -0.0008494200000000, 0.0023466000000000 ] - [ -0.0025258200000000, -0.0000254500000000, -0.0031489300000000 ] - [ 0.0048236800000000, 0.0028486100000000, 0.0029112700000000 ] - [ 0.0005378500000000, -0.0003134700000000, 0.0068692200000000 ] - [ -0.0007970500000000, -0.0023853700000000, -0.0087594800000000 ] - [ -0.0000686500000000, 0.0007592800000000, 0.0035455800000000 ]- atom: 25 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0008951700000000, -0.0010055500000000, 0.0011733100000000 ] - [ -0.0005077300000000, -0.0010454400000000, 0.0004709000000000 ] - [ -0.0005158000000000, 0.0004497200000000, 0.0002713800000000 ] - [ -0.0096473300000000, 0.0020401000000000, -0.0011369500000000 ] - [ -0.0154486700000000, -0.0043955000000000, -0.0024449500000000 ] - [ -0.0008756700000000, -0.0001810000000000, 0.0000783400000000 ] - [ 0.0002827100000000, -0.0010795200000000, -0.0000514700000000 ] - [ 0.0045697600000000, -0.0009583200000000, 0.0011573900000000 ] - [ -0.0003663300000000, 0.0004612800000000, -0.0004495700000000 ] - [ 0.0012365400000000, -0.0000501500000000, -0.0018037800000000 ] - [ 0.0066628100000000, 0.0031080100000000, 0.0008695400000000 ] - [ 0.0010976700000000, 0.0008736500000000, 0.0000219400000000 ] - [ 0.0088601300000000, 0.0003941700000000, 0.0016383500000000 ] - [ 0.0021022700000000, 0.0003054700000000, 0.0022531200000000 ] - [ -0.0011726600000000, 0.0001938800000000, -0.0004496400000000 ] - [ -0.0009390200000000, 0.0011801200000000, 0.0029437000000000 ] - [ -0.0009301800000000, -0.0024657400000000, 0.0035605400000000 ] - [ -0.0073932300000000, -0.0023742000000000, 0.0022315900000000 ] - [ 0.0017758900000000, 0.0007404400000000, -0.0001214400000000 ] - [ 0.0122151500000000, -0.0025156300000000, -0.0096483900000000 ] - [ 0.0007417800000000, -0.0018846300000000, -0.0028087300000000 ] - [ 0.0002453800000000, -0.0007606800000000, 0.0000365200000000 ] - [ 0.0037432300000000, -0.0024451700000000, 0.0018694300000000 ] - [ -0.0011369400000000, 0.0008257300000000, -0.0005418000000000 ] - [ -0.1510370900000000, 0.1140684300000000, 0.1045746300000000 ] - [ -0.0015839400000000, 0.0017571800000000, -0.0020089000000000 ] - [ 0.0015597600000000, 0.0004683700000000, -0.0024583200000000 ] - [ 0.0021499600000000, -0.0006037100000000, 0.0005467500000000 ] - [ -0.0003162900000000, -0.0008219800000000, -0.0007627200000000 ] - [ -0.0006710500000000, -0.0017608700000000, -0.0018080800000000 ] - [ 0.0252457000000000, -0.0193182600000000, -0.0013109500000000 ] - [ 0.0021941200000000, -0.0016833900000000, -0.0004433000000000 ] - [ -0.0018730500000000, -0.0006872100000000, -0.0010102500000000 ] - [ -0.0000738100000000, 0.0008686800000000, 0.0012568600000000 ] - [ 0.0011045700000000, 0.0034425400000000, -0.0012394300000000 ] - [ 0.0005655300000000, 0.0022818200000000, -0.0004596100000000 ] - [ -0.0020306600000000, -0.0055049900000000, 0.0006605800000000 ] - [ 0.0010648200000000, -0.0014827100000000, 0.0003284500000000 ] - [ 0.0010156800000000, 0.0019549300000000, 0.0021501500000000 ] - [ -0.0007372500000000, 0.0015296100000000, -0.0022203400000000 ] - [ -0.0021915100000000, -0.0005918500000000, -0.0001033400000000 ] - [ 0.1132571000000000, -0.0814101400000000, -0.0950954000000000 ] - [ 0.0023004800000000, -0.0005463500000000, 0.0017577500000000 ] - [ -0.0001509100000000, -0.0005522400000000, 0.0001238600000000 ] - [ 0.0055083200000000, -0.0000249500000000, -0.0017039200000000 ] - [ 0.0014981000000000, 0.0008305800000000, 0.0013815500000000 ] - [ -0.0000770900000000, 0.0003142500000000, 0.0002988400000000 ] - [ -0.0004261100000000, -0.0019388100000000, -0.0015741600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0019791100000000, -0.0000457100000000, -0.0021666400000000 ] - [ 0.0015857800000000, -0.0000133600000000, -0.0014245300000000 ] - [ 0.0009010300000000, 0.0010378400000000, -0.0012347100000000 ] - [ 0.0100088400000000, -0.0005573600000000, 0.0001930200000000 ] - [ 0.0139536500000000, 0.0040013700000000, 0.0015038400000000 ] - [ -0.0005901800000000, -0.0002210900000000, -0.0010367500000000 ] - [ 0.0000699200000000, -0.0014778000000000, 0.0011727500000000 ] - [ -0.0042176900000000, -0.0016080100000000, -0.0000644300000000 ] - [ -0.0020465500000000, 0.0005107000000000, 0.0015802600000000 ] - [ -0.0036088800000000, 0.0010160900000000, 0.0028998700000000 ] - [ -0.0046764800000000, -0.0015540300000000, 0.0002955600000000 ] - [ 0.0009407800000000, 0.0007054800000000, 0.0010995500000000 ] - [ -0.0048164500000000, 0.0004168300000000, 0.0035353400000000 ] - [ 0.0019533700000000, 0.0004836800000000, 0.0029354200000000 ] - [ -0.0015383500000000, 0.0029367100000000, 0.0056646000000000 ] - [ -0.0017758100000000, 0.0019517500000000, 0.0022534000000000 ] - [ -0.0004131400000000, -0.0014349400000000, 0.0016093600000000 ] - [ 0.0059845300000000, -0.0014859700000000, 0.0030160400000000 ] - [ 0.0005583300000000, 0.0002900100000000, -0.0002944000000000 ] - [ -0.0097651900000000, 0.0035332600000000, 0.0090178200000000 ] - [ -0.0010337700000000, -0.0006485800000000, 0.0024580100000000 ] - [ -0.0005136300000000, -0.0017827400000000, -0.0004465600000000 ] - [ -0.0057830600000000, 0.0039347500000000, -0.0022760600000000 ] - [ -0.0009240200000000, 0.0006799500000000, 0.0001388500000000 ] - [ 0.1462090100000000, -0.1077472500000000, -0.1039916100000000 ] - [ -0.0014781900000000, 0.0013864700000000, -0.0012104600000000 ] - [ 0.0026918400000000, 0.0006112000000000, -0.0007623400000000 ] - [ 0.0021278200000000, 0.0016861500000000, -0.0037635900000000 ] - [ -0.0008781000000000, -0.0034171300000000, -0.0024509500000000 ] - [ -0.0005211400000000, -0.0024679800000000, -0.0014131100000000 ] - [ -0.0209036100000000, 0.0155623400000000, 0.0011049800000000 ] - [ 0.0018011300000000, -0.0016285000000000, 0.0002386900000000 ] - [ -0.0030010400000000, -0.0011208200000000, 0.0008104400000000 ] - [ -0.0047938100000000, -0.0026596100000000, -0.0014788200000000 ] - [ -0.0002337800000000, 0.0016752600000000, 0.0010461600000000 ] - [ 0.0003058600000000, 0.0028391900000000, 0.0002472600000000 ] - [ 0.0041724500000000, 0.0024694700000000, -0.0012497700000000 ] - [ 0.0010904300000000, -0.0015720700000000, -0.0009167800000000 ] - [ 0.0005505000000000, 0.0014339100000000, -0.0027555600000000 ] - [ 0.0022944400000000, 0.0018435800000000, 0.0016491600000000 ] - [ -0.0015364700000000, 0.0002522700000000, -0.0004685600000000 ] - [ -0.1152488400000000, 0.0779415200000000, 0.0907245900000000 ] - [ -0.0027661900000000, -0.0001516500000000, -0.0026725600000000 ] - [ -0.0000890000000000, -0.0005003400000000, -0.0010606400000000 ] - [ -0.0044574500000000, 0.0003114200000000, 0.0008487300000000 ] - [ -0.0004527800000000, -0.0004839100000000, -0.0023238500000000 ] - [ -0.0007202100000000, 0.0004142800000000, -0.0012351000000000 ] - [ -0.0003950400000000, 0.0026533700000000, 0.0006541000000000 ]- atom: 25 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0020563300000000, 0.0002382000000000, -0.0012193400000000 ] - [ 0.0010578300000000, -0.0000080700000000, -0.0010813500000000 ] - [ 0.0010622500000000, 0.0012668800000000, -0.0009804100000000 ] - [ 0.0045993500000000, 0.0015646800000000, -0.0006835700000000 ] - [ 0.0164218200000000, 0.0027616200000000, 0.0018064400000000 ] - [ -0.0003454300000000, -0.0002072100000000, -0.0010855600000000 ] - [ -0.0000872800000000, -0.0013675900000000, 0.0011622600000000 ] - [ -0.0027596100000000, -0.0020010200000000, 0.0010655100000000 ] - [ -0.0026575100000000, 0.0003032900000000, 0.0011793600000000 ] - [ -0.0023704200000000, 0.0003485800000000, 0.0012436000000000 ] - [ -0.0033316800000000, -0.0019958000000000, -0.0005122600000000 ] - [ 0.0009151200000000, 0.0007051900000000, 0.0009371600000000 ] - [ -0.0050654500000000, 0.0054105100000000, 0.0033649700000000 ] - [ 0.0020102800000000, 0.0004787800000000, 0.0030998700000000 ] - [ -0.0013856900000000, 0.0028993300000000, 0.0064402500000000 ] - [ -0.0026568200000000, 0.0029516000000000, 0.0024619400000000 ] - [ -0.0002391200000000, -0.0011838600000000, 0.0017411200000000 ] - [ 0.0008503200000000, 0.0027531900000000, 0.0145160900000000 ] - [ 0.0004105800000000, 0.0001711100000000, -0.0005872000000000 ] - [ -0.0027180800000000, -0.0034080600000000, 0.0030110700000000 ] - [ -0.0013614200000000, -0.0012846700000000, 0.0025989800000000 ] - [ -0.0003761200000000, -0.0020249000000000, -0.0006595700000000 ] - [ -0.0069324200000000, 0.0081325400000000, -0.0027303400000000 ] - [ -0.0009587600000000, 0.0007382100000000, 0.0002907700000000 ] - [ 0.1661964800000000, -0.1605533600000000, -0.1357384200000000 ] - [ -0.0013495200000000, 0.0013512500000000, -0.0008229800000000 ] - [ 0.0026743200000000, 0.0005326000000000, -0.0004938800000000 ] - [ 0.0007901200000000, 0.0027761800000000, -0.0058403300000000 ] - [ 0.0007336400000000, -0.0013447300000000, 0.0007867500000000 ] - [ -0.0005765000000000, -0.0027484600000000, -0.0015307600000000 ] - [ -0.0298207000000000, 0.0124948600000000, 0.0010125400000000 ] - [ 0.0016600300000000, -0.0014833200000000, 0.0005932600000000 ] - [ -0.0030648200000000, -0.0013623900000000, 0.0009782900000000 ] - [ -0.0042462800000000, -0.0023114200000000, -0.0022483000000000 ] - [ 0.0003322100000000, 0.0030831500000000, 0.0006165000000000 ] - [ 0.0006669100000000, 0.0027859500000000, 0.0001293000000000 ] - [ -0.0000508900000000, -0.0044554800000000, -0.0020244800000000 ] - [ 0.0010847700000000, -0.0016535200000000, -0.0011411500000000 ] - [ 0.0005483600000000, 0.0019126500000000, -0.0034518200000000 ] - [ 0.0037850300000000, 0.0012788100000000, 0.0030203000000000 ] - [ -0.0016613900000000, 0.0000377100000000, -0.0007666500000000 ] - [ -0.1249494100000000, 0.1286934300000000, 0.1194873200000000 ] - [ -0.0013055700000000, 0.0016507400000000, -0.0033751800000000 ] - [ -0.0001314200000000, -0.0005438400000000, -0.0013018100000000 ] - [ -0.0030881500000000, 0.0038354000000000, 0.0007588400000000 ] - [ 0.0009493700000000, 0.0015472500000000, -0.0039430200000000 ] - [ -0.0008110800000000, -0.0000971600000000, -0.0019511300000000 ] - [ -0.0045035700000000, -0.0026688600000000, 0.0018670300000000 ]- atom: 25 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.0009712500000000, -0.0012786000000000, 0.0002332900000000 ] - [ 0.0000294700000000, -0.0010508600000000, 0.0001197200000000 ] - [ -0.0006752300000000, 0.0002201200000000, 0.0000208300000000 ] - [ -0.0041497700000000, -0.0001058000000000, -0.0002600000000000 ] - [ -0.0179817400000000, -0.0032079900000000, -0.0027049800000000 ] - [ -0.0011236300000000, -0.0001954900000000, 0.0001269200000000 ] - [ 0.0004609600000000, -0.0011981400000000, -0.0000456100000000 ] - [ 0.0031516600000000, -0.0005433300000000, 0.0000004900000000 ] - [ 0.0002250400000000, 0.0006483400000000, -0.0000604300000000 ] - [ -0.0000426900000000, 0.0006139500000000, -0.0001214500000000 ] - [ 0.0053677200000000, 0.0035873300000000, 0.0016515700000000 ] - [ 0.0011153100000000, 0.0008913900000000, 0.0001813700000000 ] - [ 0.0090708700000000, -0.0046137200000000, 0.0018119900000000 ] - [ 0.0020294000000000, 0.0003063100000000, 0.0020990800000000 ] - [ -0.0013263400000000, 0.0002479000000000, -0.0012261900000000 ] - [ -0.0000598600000000, 0.0001779300000000, 0.0027202300000000 ] - [ -0.0011096100000000, -0.0027187800000000, 0.0034163100000000 ] - [ -0.0022543700000000, -0.0066723600000000, -0.0095187700000000 ] - [ 0.0019316100000000, 0.0008677700000000, 0.0001615900000000 ] - [ 0.0050063600000000, 0.0045299700000000, -0.0034259200000000 ] - [ 0.0010614400000000, -0.0012662200000000, -0.0029458400000000 ] - [ 0.0000991800000000, -0.0005292700000000, 0.0002491200000000 ] - [ 0.0049083200000000, -0.0065855000000000, 0.0023303900000000 ] - [ -0.0010933400000000, 0.0007717400000000, -0.0006860300000000 ] - [ -0.1745705800000000, 0.1677185100000000, 0.1396644200000000 ] - [ -0.0017210800000000, 0.0018012200000000, -0.0023863300000000 ] - [ 0.0015910900000000, 0.0005448800000000, -0.0027167000000000 ] - [ 0.0034654700000000, -0.0016923900000000, 0.0025875300000000 ] - [ -0.0019168500000000, -0.0029020000000000, -0.0040034400000000 ] - [ -0.0006148400000000, -0.0014673000000000, -0.0017008300000000 ] - [ 0.0346004000000000, -0.0161713000000000, -0.0012195200000000 ] - [ 0.0023445300000000, -0.0018239500000000, -0.0007998400000000 ] - [ -0.0018189400000000, -0.0004609700000000, -0.0011636900000000 ] - [ -0.0006395700000000, 0.0004860300000000, 0.0020425100000000 ] - [ 0.0005377600000000, 0.0020467600000000, -0.0008187400000000 ] - [ 0.0001885300000000, 0.0023352300000000, -0.0003443900000000 ] - [ 0.0021597100000000, 0.0014021800000000, 0.0014171000000000 ] - [ 0.0010645100000000, -0.0013956300000000, 0.0005568700000000 ] - [ 0.0010172900000000, 0.0014677400000000, 0.0028399200000000 ] - [ -0.0022093000000000, 0.0021210600000000, -0.0036011300000000 ] - [ -0.0020518200000000, -0.0003784500000000, 0.0002037200000000 ] - [ 0.1265258700000000, -0.1332104900000000, -0.1272308700000000 ] - [ 0.0005253900000000, -0.0022359700000000, 0.0024856200000000 ] - [ -0.0001069200000000, -0.0005111400000000, 0.0003700000000000 ] - [ 0.0041757600000000, -0.0035721300000000, -0.0015503700000000 ] - [ 0.0000734100000000, -0.0012336600000000, 0.0030079600000000 ] - [ 0.0000135600000000, 0.0008255700000000, 0.0010186900000000 ] - [ 0.0036971200000000, 0.0034095600000000, -0.0027861900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014194100000000, -0.0000550100000000, 0.0027162400000000 ] - [ 0.0007994300000000, -0.0008094400000000, -0.0041365400000000 ] - [ -0.0006444600000000, 0.0005852100000000, -0.0040579400000000 ] - [ 0.0097083200000000, -0.0022750800000000, -0.0006226000000000 ] - [ 0.0014088800000000, -0.0006862200000000, 0.0056491800000000 ] - [ -0.0011715400000000, -0.0000074800000000, -0.0038456500000000 ] - [ 0.0001693000000000, -0.0020734500000000, 0.0036206600000000 ] - [ 0.0000557700000000, 0.0005183200000000, -0.0039791400000000 ] - [ 0.0029296600000000, 0.0011141300000000, 0.0017810700000000 ] - [ -0.0036550800000000, 0.0012333500000000, 0.0038966500000000 ] - [ -0.0015301100000000, -0.0002359500000000, -0.0032177600000000 ] - [ 0.0017019300000000, 0.0010988000000000, 0.0036887800000000 ] - [ 0.0006918700000000, 0.0006534000000000, -0.0009483300000000 ] - [ 0.0016400200000000, 0.0003780500000000, 0.0055532900000000 ] - [ -0.0010472800000000, -0.0014384400000000, 0.0016259200000000 ] - [ -0.0015980000000000, 0.0025422900000000, 0.0062107900000000 ] - [ -0.0016097600000000, -0.0026529900000000, 0.0085714600000000 ] - [ -0.0035026900000000, 0.0117647600000000, 0.0130414600000000 ] - [ 0.0013088500000000, 0.0009324000000000, 0.0039592000000000 ] - [ -0.0146567500000000, 0.0038989800000000, 0.0053142900000000 ] - [ -0.0015421300000000, 0.0002547800000000, 0.0015048700000000 ] - [ 0.0001816200000000, -0.0008559400000000, 0.0017379300000000 ] - [ -0.0029746900000000, 0.0029315100000000, -0.0038242800000000 ] - [ -0.0004116800000000, 0.0002356900000000, 0.0020585600000000 ] - [ 0.1004254000000000, -0.0950204300000000, -0.1518409700000000 ] - [ -0.0019320700000000, 0.0022471700000000, 0.0018152500000000 ] - [ 0.0022109800000000, 0.0007160900000000, 0.0003592300000000 ] - [ 0.0045256600000000, -0.0018029900000000, -0.0002357500000000 ] - [ 0.0014701200000000, 0.0015742500000000, -0.0002322100000000 ] - [ -0.0008648500000000, -0.0032440300000000, 0.0003649000000000 ] - [ 0.0011997100000000, -0.0018430000000000, -0.0096037300000000 ] - [ 0.0025863600000000, -0.0018873600000000, 0.0031326900000000 ] - [ -0.0024757300000000, -0.0004157700000000, 0.0021165600000000 ] - [ -0.0043552900000000, -0.0017646600000000, -0.0014337000000000 ] - [ -0.0006970600000000, 0.0016511700000000, -0.0005452000000000 ] - [ 0.0005808200000000, 0.0034826900000000, 0.0018886200000000 ] - [ 0.0008662800000000, -0.0034071000000000, 0.0059693700000000 ] - [ 0.0011418500000000, -0.0016282000000000, -0.0056477500000000 ] - [ 0.0004879300000000, 0.0001159900000000, -0.0035725100000000 ] - [ -0.0003086400000000, -0.0005979400000000, -0.0040497300000000 ] - [ -0.0020869500000000, -0.0011363700000000, -0.0081880100000000 ] - [ -0.0884282100000000, 0.0836182600000000, 0.1356824300000000 ] - [ 0.0024071600000000, -0.0027572000000000, 0.0071727100000000 ] - [ 0.0004470900000000, -0.0008029600000000, -0.0051655300000000 ] - [ -0.0023152000000000, 0.0036286600000000, -0.0034067000000000 ] - [ 0.0008389400000000, 0.0020179100000000, -0.0086330800000000 ] - [ -0.0001609800000000, 0.0000841900000000, -0.0038829100000000 ] - [ -0.0032342500000000, 0.0001199600000000, 0.0016379100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003474100000000, -0.0010096900000000, -0.0036250800000000 ] - [ 0.0002838400000000, -0.0002507600000000, 0.0031759200000000 ] - [ 0.0010044600000000, 0.0008879300000000, 0.0030948100000000 ] - [ -0.0093704000000000, 0.0037959400000000, -0.0003566800000000 ] - [ -0.0027985600000000, 0.0003129500000000, -0.0066248500000000 ] - [ -0.0003017600000000, -0.0003935200000000, 0.0028868600000000 ] - [ 0.0002046900000000, -0.0004893800000000, -0.0025064600000000 ] - [ 0.0003202800000000, -0.0030993000000000, 0.0051333300000000 ] - [ -0.0052734400000000, -0.0001470600000000, -0.0006870700000000 ] - [ 0.0012645900000000, -0.0002772100000000, -0.0027819300000000 ] - [ 0.0035502600000000, 0.0018271200000000, 0.0043037900000000 ] - [ 0.0003336800000000, 0.0004967800000000, -0.0025686100000000 ] - [ 0.0033704400000000, 0.0001413800000000, 0.0061308800000000 ] - [ 0.0024110700000000, 0.0004056200000000, -0.0003667400000000 ] - [ -0.0016599200000000, 0.0045295800000000, 0.0035202000000000 ] - [ -0.0011118400000000, 0.0005847700000000, -0.0010332000000000 ] - [ 0.0002444900000000, -0.0012614900000000, -0.0033524300000000 ] - [ 0.0021795200000000, -0.0159592500000000, -0.0080195300000000 ] - [ 0.0010513300000000, 0.0001057800000000, -0.0043393900000000 ] - [ 0.0172534300000000, -0.0029036400000000, -0.0058236300000000 ] - [ 0.0012552500000000, -0.0028017400000000, -0.0018937700000000 ] - [ -0.0004592400000000, -0.0016887000000000, -0.0021415400000000 ] - [ 0.0008837100000000, -0.0014061400000000, 0.0034026400000000 ] - [ -0.0016460000000000, 0.0012737000000000, -0.0024598100000000 ] - [ -0.1081616200000000, 0.1025131800000000, 0.1514289900000000 ] - [ -0.0011305700000000, 0.0009040700000000, -0.0050316000000000 ] - [ 0.0020436000000000, 0.0003613300000000, -0.0035850400000000 ] - [ -0.0002658300000000, 0.0029078900000000, -0.0029828500000000 ] - [ -0.0026455500000000, -0.0057781700000000, -0.0029818800000000 ] - [ -0.0003293100000000, -0.0009826000000000, -0.0035780200000000 ] - [ 0.0026833100000000, -0.0014176400000000, 0.0094785500000000 ] - [ 0.0014215600000000, -0.0014215500000000, -0.0033389900000000 ] - [ -0.0023865200000000, -0.0013947600000000, -0.0023330900000000 ] - [ -0.0005040200000000, -0.0000574600000000, 0.0012218500000000 ] - [ 0.0015451700000000, 0.0034709800000000, 0.0003217000000000 ] - [ 0.0002784400000000, 0.0016441300000000, -0.0020936600000000 ] - [ 0.0012892200000000, 0.0003531700000000, -0.0064788700000000 ] - [ 0.0010112400000000, -0.0014330300000000, 0.0050557800000000 ] - [ 0.0010732700000000, 0.0032857300000000, 0.0030170000000000 ] - [ 0.0018655400000000, 0.0039980200000000, 0.0034668700000000 ] - [ -0.0016447100000000, 0.0007901400000000, 0.0075908200000000 ] - [ 0.0890210000000000, -0.0879922000000000, -0.1393063700000000 ] - [ -0.0026113000000000, 0.0016662100000000, -0.0080472500000000 ] - [ -0.0006843900000000, -0.0002521700000000, 0.0042385100000000 ] - [ 0.0034606900000000, -0.0034016800000000, 0.0027944000000000 ] - [ 0.0001904900000000, -0.0016984600000000, 0.0077159000000000 ] - [ -0.0006262700000000, 0.0006500600000000, 0.0029658000000000 ] - [ 0.0024641000000000, 0.0006111100000000, -0.0026062500000000 ]- atom: 31 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0024149400000000, 0.0003086200000000, -0.0148524900000000 ] - [ -0.0007950700000000, -0.0002534000000000, 0.0003594400000000 ] - [ 0.0011790000000000, 0.0000792700000000, -0.0026206100000000 ] - [ 0.0097760700000000, -0.0110939600000000, 0.0092004000000000 ] - [ 0.0550834300000000, 0.0135226100000000, -0.0152223900000000 ] - [ -0.0000340100000000, -0.0000386900000000, -0.0009982700000000 ] - [ 0.0000015800000000, -0.0014664000000000, 0.0016098600000000 ] - [ 0.0314323400000000, 0.0095887300000000, -0.0336405800000000 ] - [ -0.0036658300000000, 0.0009499100000000, 0.0049231400000000 ] - [ -0.0026659500000000, 0.0012119900000000, -0.0025824100000000 ] - [ 0.0368073400000000, 0.0212562300000000, 0.0236126100000000 ] - [ 0.0011018600000000, 0.0007696800000000, 0.0004157900000000 ] - [ 0.0130477100000000, 0.0013203100000000, -0.0002962700000000 ] - [ 0.0021958700000000, 0.0004696100000000, 0.0029834800000000 ] - [ -0.0019735600000000, 0.0020333100000000, 0.0020825000000000 ] - [ -0.0015898400000000, 0.0025232200000000, 0.0029431200000000 ] - [ -0.0000914500000000, -0.0012261400000000, 0.0013324600000000 ] - [ 0.0067383900000000, -0.0014756200000000, 0.0167232700000000 ] - [ -0.0000945900000000, 0.0001515100000000, -0.0005894300000000 ] - [ -0.0086960700000000, 0.0010545000000000, 0.0005608400000000 ] - [ 0.0027713900000000, 0.0014424800000000, 0.0026575800000000 ] - [ 0.0003680600000000, -0.0013233700000000, -0.0002869200000000 ] - [ 0.0429832200000000, -0.0338714700000000, 0.0121353500000000 ] - [ -0.0010213200000000, 0.0007543000000000, 0.0002000400000000 ] - [ 0.0213467000000000, -0.0220302400000000, -0.0023454800000000 ] - [ -0.0013309400000000, 0.0012843100000000, -0.0010331000000000 ] - [ 0.0022080200000000, 0.0008513400000000, -0.0008844400000000 ] - [ 0.0026278300000000, -0.0002449600000000, -0.0018392800000000 ] - [ 0.0000027600000000, -0.0049124300000000, 0.0001199900000000 ] - [ -0.0008346700000000, -0.0028067300000000, -0.0019970700000000 ] - [ -0.2799797200000000, 0.0515347700000000, -0.0517795300000000 ] - [ 0.0014522500000000, -0.0014584500000000, 0.0006883300000000 ] - [ -0.0024972400000000, -0.0005402500000000, 0.0006704600000000 ] - [ -0.0021192500000000, 0.0024823600000000, -0.0010791900000000 ] - [ 0.0034168000000000, 0.0007212200000000, 0.0029745300000000 ] - [ 0.0010786700000000, 0.0026145800000000, 0.0001328400000000 ] - [ -0.0103089800000000, 0.0026066900000000, -0.0049738400000000 ] - [ 0.0009743300000000, -0.0016901700000000, -0.0008141800000000 ] - [ 0.0012420800000000, 0.0000519900000000, -0.0016296600000000 ] - [ -0.0000190900000000, -0.0001712900000000, 0.0004063200000000 ] - [ -0.0014393600000000, 0.0002566300000000, -0.0003991500000000 ] - [ 0.0888123400000000, -0.0383761300000000, 0.0527849900000000 ] - [ -0.0061337400000000, -0.0001386300000000, 0.0031729700000000 ] - [ -0.0002010400000000, -0.0006583700000000, -0.0011466900000000 ] - [ 0.0067176600000000, -0.0014256500000000, 0.0018657100000000 ] - [ 0.0024668300000000, 0.0018567000000000, -0.0041672300000000 ] - [ -0.0009222600000000, 0.0004757500000000, -0.0021550900000000 ] - [ -0.0070035700000000, 0.0030297300000000, 0.0027772700000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0034994500000000, -0.0013793400000000, 0.0138770300000000 ] - [ 0.0018786600000000, -0.0008097400000000, -0.0013147800000000 ] - [ -0.0007954500000000, 0.0013915800000000, 0.0016486400000000 ] - [ -0.0093118800000000, 0.0125429300000000, -0.0101623600000000 ] - [ -0.0478012400000000, -0.0129558300000000, 0.0135277400000000 ] - [ -0.0014299800000000, -0.0003630600000000, 0.0000379100000000 ] - [ 0.0003821600000000, -0.0010992400000000, -0.0004947800000000 ] - [ -0.0307775900000000, -0.0120238500000000, 0.0343504800000000 ] - [ 0.0012603600000000, 0.0000077700000000, -0.0038021600000000 ] - [ 0.0002524900000000, -0.0002512100000000, 0.0036901000000000 ] - [ -0.0343056500000000, -0.0193010400000000, -0.0222693600000000 ] - [ 0.0009261800000000, 0.0008395100000000, 0.0006975700000000 ] - [ -0.0089597400000000, -0.0005709800000000, 0.0054602300000000 ] - [ 0.0018776600000000, 0.0003100700000000, 0.0021846300000000 ] - [ -0.0007335500000000, 0.0010997000000000, 0.0030895400000000 ] - [ -0.0011098000000000, 0.0005850600000000, 0.0022524100000000 ] - [ -0.0012545000000000, -0.0026645200000000, 0.0038333300000000 ] - [ -0.0081506100000000, -0.0024389000000000, -0.0117640000000000 ] - [ 0.0024302600000000, 0.0008746300000000, 0.0001841500000000 ] - [ 0.0110877900000000, -0.0000455500000000, -0.0009322100000000 ] - [ -0.0030269500000000, -0.0039752300000000, -0.0030423700000000 ] - [ -0.0006520700000000, -0.0012141000000000, -0.0001106900000000 ] - [ -0.0443409800000000, 0.0347688500000000, -0.0124177200000000 ] - [ -0.0010558300000000, 0.0007623300000000, -0.0006141800000000 ] - [ -0.0247962100000000, 0.0257069000000000, -0.0008682500000000 ] - [ -0.0017211800000000, 0.0018527400000000, -0.0021980200000000 ] - [ 0.0020454000000000, 0.0002252200000000, -0.0023362500000000 ] - [ 0.0016168100000000, 0.0013163600000000, -0.0013963100000000 ] - [ -0.0011877900000000, 0.0006588000000000, -0.0032882100000000 ] - [ -0.0003657800000000, -0.0014456500000000, -0.0012029300000000 ] - [ 0.2763552200000000, -0.0582410200000000, 0.0555443800000000 ] - [ 0.0025455100000000, -0.0018437700000000, -0.0008984600000000 ] - [ -0.0023723500000000, -0.0012783100000000, -0.0008709900000000 ] - [ -0.0027500400000000, -0.0042993600000000, 0.0008704300000000 ] - [ -0.0025505600000000, 0.0044237400000000, -0.0031623500000000 ] - [ -0.0002232800000000, 0.0025281800000000, -0.0003294400000000 ] - [ 0.0124566100000000, -0.0057301900000000, 0.0043709500000000 ] - [ 0.0011716200000000, -0.0013469400000000, 0.0002314500000000 ] - [ 0.0003368800000000, 0.0033345500000000, 0.0010471800000000 ] - [ 0.0015799000000000, 0.0035630400000000, -0.0009906600000000 ] - [ -0.0022780500000000, -0.0005861100000000, -0.0001619500000000 ] - [ -0.0948235000000000, 0.0402401300000000, -0.0564576600000000 ] - [ 0.0059201900000000, -0.0009833200000000, -0.0040861800000000 ] - [ -0.0000374800000000, -0.0003960600000000, 0.0002224900000000 ] - [ -0.0056991800000000, 0.0017719100000000, -0.0027346400000000 ] - [ -0.0014451500000000, -0.0015507100000000, 0.0032410500000000 ] - [ 0.0001272000000000, 0.0002537500000000, 0.0012135500000000 ] - [ 0.0062060700000000, -0.0022637000000000, -0.0036683500000000 ]- atom: 31 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0024984100000000, -0.0000299200000000, 0.0042267500000000 ] - [ 0.0005401900000000, -0.0008596300000000, -0.0002742700000000 ] - [ -0.0007427100000000, 0.0007519600000000, 0.0008746200000000 ] - [ -0.0105715900000000, 0.0072610700000000, -0.0038130700000000 ] - [ -0.0199391400000000, 0.0194637500000000, -0.0002433600000000 ] - [ -0.0011885500000000, -0.0002856800000000, 0.0001286500000000 ] - [ 0.0003714100000000, -0.0010891300000000, -0.0002883300000000 ] - [ -0.0091317900000000, -0.0125853400000000, 0.0146836400000000 ] - [ 0.0001671800000000, 0.0000878100000000, -0.0017953800000000 ] - [ 0.0006545200000000, -0.0002507400000000, 0.0008397200000000 ] - [ -0.0021285000000000, -0.0061558500000000, -0.0037987400000000 ] - [ 0.0010530600000000, 0.0008419000000000, 0.0003181700000000 ] - [ -0.0048132900000000, 0.0011839800000000, 0.0045655100000000 ] - [ 0.0019740300000000, 0.0003306100000000, 0.0021489300000000 ] - [ -0.0009155800000000, 0.0024640300000000, 0.0009178500000000 ] - [ -0.0010507400000000, 0.0008934200000000, 0.0026314600000000 ] - [ -0.0011434600000000, -0.0026750400000000, 0.0040693000000000 ] - [ -0.0021202600000000, -0.0072549500000000, -0.0026322900000000 ] - [ 0.0021750300000000, 0.0009140700000000, 0.0000353200000000 ] - [ 0.0054533300000000, 0.0045682000000000, -0.0119010200000000 ] - [ -0.0016742600000000, -0.0014629600000000, -0.0020669800000000 ] - [ -0.0000471900000000, -0.0008525500000000, -0.0000183000000000 ] - [ -0.0475438200000000, 0.0297228500000000, -0.0121791700000000 ] - [ -0.0010945700000000, 0.0008536700000000, -0.0006498200000000 ] - [ -0.0285892400000000, 0.0194218500000000, -0.0014138300000000 ] - [ -0.0016593400000000, 0.0018738900000000, -0.0021038000000000 ] - [ 0.0018111600000000, 0.0005176400000000, -0.0024871800000000 ] - [ 0.0017319800000000, 0.0020390100000000, -0.0002686400000000 ] - [ -0.0011480100000000, 0.0002812000000000, -0.0035194300000000 ] - [ -0.0005300800000000, -0.0014204200000000, -0.0016626600000000 ] - [ 0.1898135100000000, -0.1175737500000000, 0.0842524100000000 ] - [ 0.0024418400000000, -0.0017397700000000, -0.0006582300000000 ] - [ -0.0021875700000000, -0.0006367300000000, -0.0010416600000000 ] - [ -0.0009740200000000, -0.0018847300000000, 0.0013443200000000 ] - [ -0.0013491500000000, 0.0019175200000000, -0.0022772000000000 ] - [ 0.0002435400000000, 0.0023775700000000, -0.0002646400000000 ] - [ 0.0088151600000000, -0.0039838300000000, 0.0063306200000000 ] - [ 0.0010716900000000, -0.0016225600000000, 0.0003211300000000 ] - [ 0.0011396900000000, 0.0014642600000000, 0.0018020600000000 ] - [ 0.0001137500000000, 0.0018504200000000, -0.0016606700000000 ] - [ -0.0024028600000000, -0.0007864800000000, -0.0001985100000000 ] - [ -0.0830666500000000, 0.0700699600000000, -0.0689226800000000 ] - [ 0.0045288900000000, -0.0106382500000000, -0.0022623200000000 ] - [ -0.0000934000000000, -0.0004781200000000, 0.0002392300000000 ] - [ -0.0040591500000000, 0.0045934000000000, -0.0012498400000000 ] - [ 0.0005223900000000, 0.0003779600000000, 0.0024462400000000 ] - [ 0.0001332700000000, 0.0005402100000000, 0.0011267500000000 ] - [ 0.0029108500000000, -0.0023957900000000, -0.0036506500000000 ]- atom: 31 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.0014078500000000, -0.0010465600000000, -0.0051006700000000 ] - [ 0.0005435400000000, -0.0001994600000000, -0.0006798600000000 ] - [ 0.0011225800000000, 0.0007282700000000, -0.0018249800000000 ] - [ 0.0108558000000000, -0.0056852400000000, 0.0027832700000000 ] - [ 0.0200547600000000, -0.0195783200000000, -0.0006576900000000 ] - [ -0.0002802100000000, -0.0001161100000000, -0.0010807400000000 ] - [ 0.0000002400000000, -0.0014744800000000, 0.0013956000000000 ] - [ 0.0092673500000000, 0.0100495400000000, -0.0133796900000000 ] - [ -0.0025551200000000, 0.0008752400000000, 0.0028872200000000 ] - [ -0.0030319800000000, 0.0012005600000000, 0.0002721900000000 ] - [ 0.0038511600000000, 0.0076389300000000, 0.0047524600000000 ] - [ 0.0009811600000000, 0.0007525000000000, 0.0007947700000000 ] - [ 0.0089020300000000, -0.0003896100000000, 0.0006114400000000 ] - [ 0.0020642400000000, 0.0004566400000000, 0.0030486200000000 ] - [ -0.0017996400000000, 0.0006515200000000, 0.0042784400000000 ] - [ -0.0016583000000000, 0.0022251700000000, 0.0025445200000000 ] - [ -0.0002164800000000, -0.0012398600000000, 0.0010832900000000 ] - [ 0.0007351200000000, 0.0032628500000000, 0.0076743000000000 ] - [ 0.0001760300000000, 0.0001225700000000, -0.0004574200000000 ] - [ -0.0029949000000000, -0.0034498700000000, 0.0112514400000000 ] - [ 0.0013906400000000, -0.0011031300000000, 0.0016601000000000 ] - [ -0.0002323100000000, -0.0016993500000000, -0.0003923900000000 ] - [ 0.0462797000000000, -0.0286180600000000, 0.0118855400000000 ] - [ -0.0009520300000000, 0.0006551300000000, 0.0002539100000000 ] - [ 0.0247047000000000, -0.0156724500000000, -0.0017900000000000 ] - [ -0.0014111000000000, 0.0012791600000000, -0.0011135500000000 ] - [ 0.0024431800000000, 0.0005566100000000, -0.0007401000000000 ] - [ 0.0025272400000000, -0.0009599700000000, -0.0029654000000000 ] - [ -0.0000394900000000, -0.0045185600000000, 0.0003285000000000 ] - [ -0.0006573500000000, -0.0027882900000000, -0.0015694200000000 ] - [ -0.1833635200000000, 0.1123130500000000, -0.0806592300000000 ] - [ 0.0015657600000000, -0.0015712200000000, 0.0004469800000000 ] - [ -0.0026819400000000, -0.0011844100000000, 0.0008305600000000 ] - [ -0.0038936500000000, 0.0000576500000000, -0.0015523500000000 ] - [ 0.0022034800000000, 0.0032361300000000, 0.0020702400000000 ] - [ 0.0006136500000000, 0.0027363000000000, 0.0000404000000000 ] - [ -0.0065654500000000, 0.0008543100000000, -0.0068581700000000 ] - [ 0.0010755900000000, -0.0014207400000000, -0.0008988700000000 ] - [ 0.0004235900000000, 0.0019415100000000, -0.0023809200000000 ] - [ 0.0014603100000000, 0.0015549900000000, 0.0010893500000000 ] - [ -0.0013052800000000, 0.0004468400000000, -0.0003539600000000 ] - [ 0.0756798900000000, -0.0687048200000000, 0.0646274300000000 ] - [ -0.0046515200000000, 0.0094239000000000, 0.0012808600000000 ] - [ -0.0001463100000000, -0.0005758000000000, -0.0011552900000000 ] - [ 0.0050159700000000, -0.0042372300000000, 0.0003992200000000 ] - [ 0.0005092800000000, -0.0000642200000000, -0.0033426300000000 ] - [ -0.0009230200000000, 0.0001932000000000, -0.0020502700000000 ] - [ -0.0036795500000000, 0.0030852000000000, 0.0027129700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000328400000000, 0.0008661300000000, -0.0030792400000000 ] - [ 0.0011877000000000, -0.0006206400000000, -0.0043321600000000 ] - [ -0.0007273900000000, 0.0011903700000000, -0.0028712500000000 ] - [ 0.0049532000000000, 0.0043151700000000, -0.0064446700000000 ] - [ -0.0088893600000000, -0.0039458900000000, 0.0443864000000000 ] - [ -0.0013516800000000, -0.0000174600000000, -0.0036550800000000 ] - [ 0.0002839100000000, -0.0021930400000000, 0.0033301200000000 ] - [ -0.0274496100000000, -0.0076027600000000, 0.0106849400000000 ] - [ -0.0012661400000000, 0.0005143900000000, 0.0020138200000000 ] - [ -0.0025182500000000, 0.0008528000000000, 0.0042537100000000 ] - [ 0.0202327900000000, 0.0084301300000000, 0.0000826300000000 ] - [ 0.0016260600000000, 0.0010171700000000, 0.0036930000000000 ] - [ 0.0038477600000000, -0.0001163200000000, -0.0015201800000000 ] - [ 0.0014467000000000, 0.0003813600000000, 0.0053545900000000 ] - [ -0.0012651000000000, -0.0009823800000000, 0.0040081200000000 ] - [ -0.0016477900000000, 0.0018639000000000, 0.0048281900000000 ] - [ -0.0008705800000000, -0.0029720300000000, 0.0088036800000000 ] - [ 0.0084072300000000, -0.0022118800000000, 0.0074721400000000 ] - [ 0.0016651500000000, 0.0006571100000000, 0.0034233900000000 ] - [ 0.0027807200000000, -0.0109419600000000, 0.0103468700000000 ] - [ -0.0019869700000000, 0.0007889600000000, 0.0002637400000000 ] - [ -0.0001200800000000, -0.0012922800000000, 0.0016838600000000 ] - [ 0.0100641600000000, -0.0067717600000000, -0.0063841600000000 ] - [ -0.0003052800000000, 0.0002063100000000, 0.0019907200000000 ] - [ -0.0027648300000000, 0.0022351300000000, -0.0111118400000000 ] - [ -0.0018741200000000, 0.0021811000000000, 0.0016314100000000 ] - [ 0.0023673600000000, 0.0008121900000000, 0.0003822200000000 ] - [ 0.0028511900000000, 0.0014455200000000, -0.0020351300000000 ] - [ 0.0001796800000000, -0.0000730100000000, -0.0029506500000000 ] - [ -0.0007603200000000, -0.0032602000000000, 0.0006212700000000 ] - [ -0.0500047200000000, 0.0613314800000000, -0.1478010900000000 ] - [ 0.0027967000000000, -0.0018357500000000, 0.0030578000000000 ] - [ -0.0025896700000000, -0.0010802700000000, 0.0020540200000000 ] - [ -0.0046066100000000, -0.0031951800000000, -0.0005268700000000 ] - [ -0.0000511200000000, 0.0011632700000000, -0.0005530700000000 ] - [ 0.0006035100000000, 0.0035479900000000, 0.0020565100000000 ] - [ -0.0003842800000000, -0.0013408300000000, 0.0030949400000000 ] - [ 0.0013239600000000, -0.0016130900000000, -0.0055635000000000 ] - [ 0.0001544400000000, 0.0010376100000000, -0.0036901700000000 ] - [ 0.0013952400000000, 0.0016277600000000, -0.0033815300000000 ] - [ -0.0024924700000000, -0.0013711100000000, -0.0079560000000000 ] - [ 0.0466954000000000, -0.0433669300000000, 0.0901225500000000 ] - [ -0.0014663100000000, 0.0007576800000000, 0.0078318600000000 ] - [ 0.0004062200000000, -0.0006179100000000, -0.0047493700000000 ] - [ 0.0019659700000000, 0.0006005200000000, 0.0002044500000000 ] - [ 0.0002907800000000, 0.0006611600000000, -0.0077560800000000 ] - [ -0.0000885200000000, 0.0002319000000000, -0.0033172700000000 ] - [ -0.0020774300000000, -0.0012944700000000, 0.0020023700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010690800000000, -0.0019256600000000, 0.0022412600000000 ] - [ -0.0000984100000000, -0.0004426500000000, 0.0033697600000000 ] - [ 0.0010927400000000, 0.0002967300000000, 0.0019286100000000 ] - [ -0.0046650200000000, -0.0027576300000000, 0.0054185700000000 ] - [ 0.0073797200000000, 0.0034720400000000, -0.0447932400000000 ] - [ -0.0001237300000000, -0.0003862300000000, 0.0026982900000000 ] - [ 0.0000719600000000, -0.0003656200000000, -0.0022154000000000 ] - [ 0.0280229400000000, 0.0050943800000000, -0.0094943500000000 ] - [ -0.0011067500000000, 0.0004554600000000, -0.0009304600000000 ] - [ 0.0001470100000000, 0.0001140800000000, -0.0031187500000000 ] - [ -0.0182056900000000, -0.0068328200000000, 0.0008546300000000 ] - [ 0.0004123600000000, 0.0005608900000000, -0.0025682700000000 ] - [ 0.0001730700000000, 0.0008941300000000, 0.0067165900000000 ] - [ 0.0026033600000000, 0.0004055500000000, -0.0001669400000000 ] - [ -0.0014577100000000, 0.0040876500000000, 0.0011907300000000 ] - [ -0.0010606900000000, 0.0012506600000000, 0.0003603000000000 ] - [ -0.0004823600000000, -0.0009528600000000, -0.0035811400000000 ] - [ -0.0099429600000000, -0.0016974100000000, -0.0024378000000000 ] - [ 0.0006984300000000, 0.0003826800000000, -0.0038199200000000 ] - [ -0.0003885300000000, 0.0122594600000000, -0.0109632300000000 ] - [ 0.0016710500000000, -0.0033466000000000, -0.0007071100000000 ] - [ -0.0001524700000000, -0.0012541400000000, -0.0020916500000000 ] - [ -0.0123084900000000, 0.0084132100000000, 0.0058147700000000 ] - [ -0.0017494500000000, 0.0013030200000000, -0.0023934200000000 ] - [ -0.0003451400000000, 0.0010464500000000, 0.0079629000000000 ] - [ -0.0011889600000000, 0.0009659300000000, -0.0048487800000000 ] - [ 0.0018928300000000, 0.0002705600000000, -0.0036019600000000 ] - [ 0.0014112300000000, -0.0003697100000000, -0.0011759600000000 ] - [ -0.0013718200000000, -0.0041309200000000, -0.0002943300000000 ] - [ -0.0004293500000000, -0.0009647800000000, -0.0038388800000000 ] - [ 0.0573373500000000, -0.0670979000000000, 0.1487042700000000 ] - [ 0.0012094100000000, -0.0014775100000000, -0.0032653600000000 ] - [ -0.0022848600000000, -0.0007371000000000, -0.0022624500000000 ] - [ -0.0002588100000000, 0.0013751800000000, 0.0003329500000000 ] - [ 0.0008857900000000, 0.0039684400000000, 0.0003047200000000 ] - [ 0.0002616500000000, 0.0015783700000000, -0.0022645700000000 ] - [ 0.0026082900000000, -0.0017484300000000, -0.0036335500000000 ] - [ 0.0008323600000000, -0.0014483000000000, 0.0049715600000000 ] - [ 0.0014073900000000, 0.0023617400000000, 0.0031267300000000 ] - [ 0.0001730100000000, 0.0017839500000000, 0.0027849700000000 ] - [ -0.0012491500000000, 0.0010178700000000, 0.0073605500000000 ] - [ -0.0533712200000000, 0.0447933000000000, -0.0921991000000000 ] - [ 0.0012336100000000, -0.0017875900000000, -0.0087646600000000 ] - [ -0.0006379800000000, -0.0004331700000000, 0.0038189100000000 ] - [ -0.0010772300000000, -0.0001429800000000, -0.0008220900000000 ] - [ 0.0007355500000000, -0.0003425000000000, 0.0068496000000000 ] - [ -0.0007008600000000, 0.0004934000000000, 0.0024028300000000 ] - [ 0.0013274600000000, 0.0019973600000000, -0.0029601200000000 ]- atom: 37 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0081218600000000, -0.0012395100000000, -0.0135110700000000 ] - [ -0.0002817400000000, 0.0002077100000000, 0.0000266500000000 ] - [ -0.0001149300000000, 0.0000384200000000, -0.0008433500000000 ] - [ 0.0028826200000000, -0.0036079000000000, 0.0029345000000000 ] - [ 0.0212941200000000, -0.0437993400000000, 0.0140026700000000 ] - [ -0.0006328600000000, -0.0000519500000000, -0.0007079100000000 ] - [ -0.0000318100000000, -0.0008073200000000, 0.0007769900000000 ] - [ -0.0013835300000000, 0.0088958700000000, -0.0126462900000000 ] - [ 0.0025692900000000, -0.0013010000000000, 0.0013040500000000 ] - [ -0.0012430800000000, 0.0006474400000000, -0.0012248200000000 ] - [ 0.0033013100000000, 0.0139333100000000, 0.0074630300000000 ] - [ 0.0011777800000000, 0.0006750200000000, 0.0004094600000000 ] - [ 0.1714162500000000, -0.0130799200000000, -0.1205277500000000 ] - [ 0.0020031200000000, 0.0003134200000000, 0.0031596500000000 ] - [ -0.0110941200000000, 0.0033892400000000, -0.0009434400000000 ] - [ -0.0016241400000000, 0.0018078900000000, 0.0021967500000000 ] - [ -0.0002867800000000, -0.0020779500000000, 0.0027272400000000 ] - [ -0.0024316000000000, -0.0039475700000000, 0.0044060200000000 ] - [ 0.0009674900000000, 0.0002778300000000, 0.0001072800000000 ] - [ 0.0001086400000000, 0.0025363800000000, -0.0004345000000000 ] - [ -0.0002004700000000, 0.0010919400000000, 0.0010797200000000 ] - [ -0.0004414400000000, -0.0016111200000000, -0.0004367800000000 ] - [ 0.1160511200000000, -0.0205389800000000, 0.0614822100000000 ] - [ -0.0010369700000000, 0.0006369900000000, 0.0001555100000000 ] - [ -0.0046468300000000, -0.0014819000000000, -0.0018093300000000 ] - [ -0.0015386300000000, 0.0015724700000000, -0.0015563200000000 ] - [ 0.0002489300000000, 0.0009067400000000, -0.0030923900000000 ] - [ 0.0024331800000000, 0.0002298900000000, -0.0028268200000000 ] - [ 0.0383798900000000, 0.0341621700000000, -0.0317700800000000 ] - [ -0.0008437300000000, -0.0016496000000000, -0.0006786500000000 ] - [ -0.0093974200000000, 0.0006649100000000, -0.0015763900000000 ] - [ 0.0019069700000000, -0.0017121300000000, 0.0001357700000000 ] - [ -0.0019622700000000, 0.0002408800000000, -0.0004951500000000 ] - [ -0.0028106800000000, 0.0012142800000000, -0.0003605800000000 ] - [ 0.0325733000000000, 0.0072021100000000, 0.0128364900000000 ] - [ 0.0001977400000000, 0.0017743600000000, 0.0012255500000000 ] - [ -0.3780059900000000, 0.0060764200000000, 0.0870903700000000 ] - [ 0.0013437000000000, -0.0015347300000000, -0.0013469200000000 ] - [ 0.0048389200000000, -0.0035123100000000, 0.0031460200000000 ] - [ 0.0016489800000000, 0.0018532300000000, -0.0000614300000000 ] - [ -0.0013265100000000, -0.0001335900000000, -0.0005214800000000 ] - [ 0.0042311000000000, 0.0037696300000000, 0.0009124300000000 ] - [ 0.0329820700000000, -0.0034010800000000, -0.0026822100000000 ] - [ -0.0002267600000000, -0.0004977100000000, -0.0001340800000000 ] - [ 0.0069939400000000, 0.0098229500000000, 0.0000822900000000 ] - [ 0.0009540700000000, 0.0001397700000000, -0.0007240900000000 ] - [ -0.0030199500000000, -0.0013800900000000, -0.0030307600000000 ] - [ -0.0178004400000000, 0.0032844200000000, -0.0037180500000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0093388800000000, 0.0000981700000000, 0.0125408200000000 ] - [ 0.0013735100000000, -0.0012780500000000, -0.0009683400000000 ] - [ 0.0004810500000000, 0.0014184600000000, -0.0000758100000000 ] - [ -0.0025070000000000, 0.0050956400000000, -0.0039016700000000 ] - [ -0.0229479100000000, 0.0434806700000000, -0.0152307500000000 ] - [ -0.0008273500000000, -0.0003567000000000, -0.0002333800000000 ] - [ 0.0003977900000000, -0.0017360900000000, 0.0003178500000000 ] - [ 0.0017659700000000, -0.0114572000000000, 0.0138010300000000 ] - [ -0.0049731400000000, 0.0022596400000000, -0.0002125700000000 ] - [ -0.0011457000000000, 0.0003194100000000, 0.0023338200000000 ] - [ -0.0013007600000000, -0.0123993000000000, -0.0063647400000000 ] - [ 0.0008576100000000, 0.0009209600000000, 0.0006939000000000 ] - [ -0.1618658300000000, 0.0130700800000000, 0.1185680900000000 ] - [ 0.0020656400000000, 0.0004701400000000, 0.0020320100000000 ] - [ 0.0082606600000000, -0.0001787600000000, 0.0059972100000000 ] - [ -0.0010788000000000, 0.0013133300000000, 0.0029762200000000 ] - [ -0.0010455500000000, -0.0018288300000000, 0.0024438500000000 ] - [ 0.0010984000000000, 0.0000669300000000, 0.0007714900000000 ] - [ 0.0013930600000000, 0.0007460200000000, -0.0005223000000000 ] - [ 0.0022380400000000, -0.0015164800000000, 0.0000286200000000 ] - [ -0.0000517600000000, -0.0035425400000000, -0.0014751500000000 ] - [ 0.0001688900000000, -0.0009359600000000, 0.0000187300000000 ] - [ -0.1231208500000000, 0.0241181800000000, -0.0664423500000000 ] - [ -0.0010297100000000, 0.0008856100000000, -0.0005617500000000 ] - [ 0.0015500400000000, 0.0046537800000000, -0.0013783600000000 ] - [ -0.0015200500000000, 0.0015713900000000, -0.0016813000000000 ] - [ 0.0039792800000000, 0.0001919100000000, -0.0001953800000000 ] - [ 0.0018171200000000, 0.0008416200000000, -0.0003697400000000 ] - [ -0.0389850500000000, -0.0378890800000000, 0.0281045800000000 ] - [ -0.0003455200000000, -0.0025866600000000, -0.0025614300000000 ] - [ 0.0133682900000000, -0.0039514700000000, 0.0014156200000000 ] - [ 0.0020969900000000, -0.0015961500000000, -0.0003554100000000 ] - [ -0.0028898600000000, -0.0020343900000000, 0.0002527600000000 ] - [ -0.0020382100000000, -0.0030390600000000, 0.0001596600000000 ] - [ -0.0320091900000000, -0.0026481600000000, -0.0134774900000000 ] - [ 0.0006668400000000, 0.0033671200000000, -0.0014612000000000 ] - [ 0.3794440500000000, -0.0104612500000000, -0.0746731400000000 ] - [ 0.0008207000000000, -0.0015257100000000, 0.0007842600000000 ] - [ -0.0032541000000000, 0.0067297400000000, -0.0035507300000000 ] - [ -0.0000912400000000, 0.0015405800000000, -0.0005215400000000 ] - [ -0.0023931800000000, -0.0002090000000000, -0.0000223900000000 ] - [ -0.0079467100000000, -0.0041139300000000, -0.0015429500000000 ] - [ -0.0332278000000000, 0.0023026900000000, 0.0015786900000000 ] - [ -0.0000170400000000, -0.0005518500000000, -0.0007502500000000 ] - [ -0.0059452000000000, -0.0093695400000000, -0.0010083500000000 ] - [ 0.0000847000000000, 0.0001792800000000, -0.0001881100000000 ] - [ 0.0022471600000000, 0.0021338600000000, 0.0020104100000000 ] - [ 0.0170428200000000, -0.0025690400000000, 0.0028969500000000 ]- atom: 37 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ -0.0104943000000000, 0.0426369300000000, 0.0175521600000000 ] - [ 0.0011577400000000, -0.0011312900000000, -0.0011527100000000 ] - [ -0.0008120000000000, 0.0041077100000000, 0.0050094800000000 ] - [ -0.0028450100000000, 0.0046905300000000, -0.0036937700000000 ] - [ -0.0302611600000000, 0.0258098500000000, -0.0214406300000000 ] - [ -0.0007336600000000, -0.0004852700000000, -0.0005125100000000 ] - [ -0.0008700300000000, 0.0003619500000000, -0.0007972200000000 ] - [ 0.0021229800000000, -0.0072244500000000, 0.0105540400000000 ] - [ 0.0054551200000000, -0.0066743600000000, -0.0071563300000000 ] - [ -0.0009660800000000, 0.0003271300000000, 0.0022492000000000 ] - [ 0.0080960400000000, -0.0156138000000000, 0.0025927600000000 ] - [ 0.0008951900000000, 0.0007517900000000, 0.0008380900000000 ] - [ -0.0921125700000000, 0.0362060400000000, 0.0699479700000000 ] - [ 0.0021968400000000, 0.0000249100000000, 0.0027160000000000 ] - [ 0.0054454000000000, -0.0004052700000000, 0.0045393100000000 ] - [ -0.0010755600000000, 0.0012167400000000, 0.0032507800000000 ] - [ -0.0010763800000000, -0.0017985100000000, 0.0020275200000000 ] - [ 0.0007793300000000, -0.0007651500000000, -0.0001483900000000 ] - [ 0.0019938100000000, 0.0003157500000000, -0.0004166000000000 ] - [ 0.0027917500000000, -0.0013380900000000, -0.0004529800000000 ] - [ -0.0042400900000000, -0.0115555700000000, -0.0035676800000000 ] - [ 0.0000694100000000, -0.0008979300000000, 0.0003291800000000 ] - [ -0.0813753600000000, 0.0515765300000000, -0.0474713200000000 ] - [ -0.0011934500000000, 0.0007731800000000, 0.0000723400000000 ] - [ -0.0034380700000000, -0.0017972900000000, -0.0031181700000000 ] - [ -0.0014865600000000, 0.0014647700000000, -0.0017259700000000 ] - [ 0.0009815600000000, 0.0001626200000000, 0.0009210600000000 ] - [ 0.0020529100000000, 0.0009754000000000, -0.0000773700000000 ] - [ 0.0099525100000000, 0.1349478400000000, -0.0884588900000000 ] - [ -0.0004653500000000, -0.0024205000000000, -0.0018368100000000 ] - [ 0.0113158300000000, -0.0031287100000000, 0.0008377800000000 ] - [ 0.0019021900000000, -0.0018160800000000, -0.0002991100000000 ] - [ -0.0022319500000000, -0.0033622100000000, -0.0003514500000000 ] - [ -0.0024132400000000, -0.0023083900000000, 0.0007870900000000 ] - [ -0.0116731400000000, 0.1029849400000000, 0.0515069300000000 ] - [ 0.0005684900000000, 0.0031252000000000, -0.0007320900000000 ] - [ 0.1989936400000000, -0.3637190200000000, 0.0136469200000000 ] - [ 0.0009451200000000, -0.0013997600000000, -0.0003337100000000 ] - [ 0.0002532900000000, 0.0083944700000000, -0.0018247800000000 ] - [ 0.0001635300000000, 0.0019612900000000, -0.0012478000000000 ] - [ -0.0017802000000000, 0.0004340900000000, -0.0002704700000000 ] - [ -0.0074023200000000, 0.0002012800000000, 0.0008007200000000 ] - [ -0.0189214000000000, 0.0028890600000000, 0.0025850000000000 ] - [ 0.0001386900000000, -0.0003974800000000, -0.0013022000000000 ] - [ 0.0086932200000000, 0.0206110100000000, -0.0037009400000000 ] - [ 0.0001383100000000, 0.0001008400000000, -0.0001305700000000 ] - [ -0.0011051900000000, -0.0149377500000000, -0.0013140400000000 ] - [ 0.0118702200000000, -0.0038749300000000, 0.0007702000000000 ]- atom: 37 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0116846600000000, -0.0433842000000000, -0.0180308900000000 ] - [ -0.0000623300000000, 0.0000555900000000, 0.0001872300000000 ] - [ 0.0011807200000000, -0.0026240000000000, -0.0058873000000000 ] - [ 0.0032251700000000, -0.0031949500000000, 0.0026955100000000 ] - [ 0.0284411900000000, -0.0262620400000000, 0.0200515600000000 ] - [ -0.0007352400000000, 0.0000687200000000, -0.0004393900000000 ] - [ 0.0012186600000000, -0.0029073600000000, 0.0018930200000000 ] - [ -0.0017531700000000, 0.0046955100000000, -0.0093825500000000 ] - [ -0.0078360300000000, 0.0076425300000000, 0.0081719900000000 ] - [ -0.0014198800000000, 0.0006446100000000, -0.0011123900000000 ] - [ -0.0060330900000000, 0.0171246400000000, -0.0014501700000000 ] - [ 0.0011420800000000, 0.0008247200000000, 0.0002855700000000 ] - [ 0.0975321200000000, -0.0346325600000000, -0.0666220600000000 ] - [ 0.0018700200000000, 0.0007569700000000, 0.0024860400000000 ] - [ -0.0082256400000000, 0.0035255100000000, 0.0005903000000000 ] - [ -0.0016305500000000, 0.0018955000000000, 0.0019437700000000 ] - [ -0.0002568700000000, -0.0021068400000000, 0.0031431400000000 ] - [ -0.0021110800000000, -0.0031182100000000, 0.0053398300000000 ] - [ 0.0003717400000000, 0.0007095200000000, -0.0000062300000000 ] - [ -0.0004428500000000, 0.0023728800000000, 0.0000652800000000 ] - [ 0.0039322800000000, 0.0090231500000000, 0.0031112000000000 ] - [ -0.0003422100000000, -0.0016511400000000, -0.0007335000000000 ] - [ 0.0763533000000000, -0.0497574800000000, 0.0446343900000000 ] - [ -0.0008699000000000, 0.0007369500000000, -0.0004624600000000 ] - [ 0.0003678600000000, 0.0049841300000000, -0.0000704400000000 ] - [ -0.0015759400000000, 0.0016762700000000, -0.0014943800000000 ] - [ 0.0032501600000000, 0.0009193800000000, -0.0041421500000000 ] - [ 0.0021975900000000, 0.0000954700000000, -0.0031193400000000 ] - [ -0.0129797500000000, -0.1421464100000000, 0.0889741800000000 ] - [ -0.0007245100000000, -0.0018144700000000, -0.0013946200000000 ] - [ -0.0072906600000000, -0.0001447500000000, -0.0010158800000000 ] - [ 0.0020993500000000, -0.0015000200000000, 0.0000902700000000 ] - [ -0.0026448900000000, 0.0015378000000000, 0.0001213700000000 ] - [ -0.0024640100000000, 0.0004829300000000, -0.0009865000000000 ] - [ 0.0132347800000000, -0.0946866600000000, -0.0485660700000000 ] - [ 0.0002991400000000, 0.0020070100000000, 0.0005090200000000 ] - [ -0.1939222700000000, 0.3591182400000000, -0.0168192800000000 ] - [ 0.0012141900000000, -0.0016623000000000, -0.0002584400000000 ] - [ 0.0013842900000000, -0.0050160000000000, 0.0013115900000000 ] - [ 0.0014025400000000, 0.0014425700000000, 0.0006383400000000 ] - [ -0.0019494200000000, -0.0007832800000000, -0.0002962600000000 ] - [ 0.0036455900000000, -0.0006058100000000, -0.0014350500000000 ] - [ 0.0188550400000000, -0.0038320400000000, -0.0035825400000000 ] - [ -0.0003716700000000, -0.0006544500000000, 0.0003781900000000 ] - [ -0.0077987000000000, -0.0203360200000000, 0.0028312600000000 ] - [ 0.0008923700000000, 0.0002151000000000, -0.0008116400000000 ] - [ 0.0003095600000000, 0.0156688700000000, 0.0002917700000000 ] - [ -0.0126637400000000, 0.0045963900000000, -0.0016252900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0192881000000000, 0.0295558500000000, -0.0182727900000000 ] - [ 0.0010505000000000, -0.0006729400000000, 0.0063705600000000 ] - [ 0.0001280600000000, 0.0006071500000000, 0.0051511500000000 ] - [ -0.0003592200000000, -0.0001202200000000, 0.0062675800000000 ] - [ 0.0117825500000000, -0.0314163500000000, 0.0036272400000000 ] - [ -0.0004440600000000, -0.0000543100000000, 0.0069815000000000 ] - [ 0.0016725900000000, -0.0016808300000000, -0.0052803400000000 ] - [ -0.0018925800000000, 0.0036540200000000, -0.0032008800000000 ] - [ 0.0015812500000000, -0.0030992700000000, -0.0012764000000000 ] - [ -0.0002422200000000, -0.0001163200000000, -0.0053880000000000 ] - [ 0.0086189000000000, 0.0042843700000000, 0.0240837200000000 ] - [ -0.0007217100000000, 0.0003508000000000, -0.0061648400000000 ] - [ -0.1179308500000000, 0.0112352100000000, 0.1455993900000000 ] - [ 0.0021123700000000, 0.0003888900000000, -0.0062450400000000 ] - [ -0.0048500100000000, 0.0032778000000000, 0.0098749200000000 ] - [ -0.0016122100000000, 0.0021828700000000, -0.0033896800000000 ] - [ -0.0028442500000000, -0.0038386600000000, -0.0008707700000000 ] - [ 0.0010446600000000, 0.0001918400000000, -0.0013466700000000 ] - [ 0.0032724600000000, 0.0021642400000000, -0.0031205300000000 ] - [ 0.0006413800000000, -0.0004515600000000, -0.0033728300000000 ] - [ 0.0005859500000000, -0.0077680600000000, 0.0030934400000000 ] - [ -0.0003905700000000, -0.0027392400000000, -0.0049050800000000 ] - [ 0.0677731400000000, -0.0171311600000000, 0.0749358700000000 ] - [ -0.0019615600000000, 0.0016537500000000, -0.0068161800000000 ] - [ -0.0005757300000000, 0.0001387900000000, 0.0046000200000000 ] - [ -0.0009129600000000, 0.0009557000000000, -0.0069543200000000 ] - [ 0.0054645500000000, 0.0008730400000000, -0.0053452400000000 ] - [ -0.0010068100000000, -0.0004708500000000, -0.0049190000000000 ] - [ -0.0317410500000000, -0.1299784400000000, 0.1374669000000000 ] - [ -0.0002925000000000, -0.0017208700000000, -0.0094886300000000 ] - [ -0.0026810400000000, 0.0032868400000000, 0.0032491000000000 ] - [ 0.0014831400000000, -0.0012528900000000, -0.0053649500000000 ] - [ -0.0038247600000000, -0.0009192900000000, -0.0031633900000000 ] - [ -0.0003511900000000, -0.0005708900000000, -0.0035253900000000 ] - [ 0.0126650100000000, 0.0744972900000000, 0.0920429400000000 ] - [ 0.0004695300000000, 0.0024450300000000, -0.0077541000000000 ] - [ 0.0809372900000000, 0.0636395900000000, -0.5063029000000000 ] - [ 0.0000063200000000, -0.0021888100000000, 0.0148262700000000 ] - [ -0.0015573500000000, 0.0017459700000000, 0.0011247100000000 ] - [ 0.0010174500000000, 0.0015490400000000, 0.0099625200000000 ] - [ -0.0028141200000000, 0.0001064700000000, 0.0099409800000000 ] - [ -0.0034349300000000, -0.0031412700000000, 0.0012447000000000 ] - [ -0.0068733000000000, 0.0111583200000000, -0.0112015100000000 ] - [ -0.0010762200000000, -0.0005032200000000, 0.0087152900000000 ] - [ 0.0041711200000000, -0.0115757000000000, -0.0111680400000000 ] - [ 0.0007466200000000, -0.0005965100000000, 0.0087398700000000 ] - [ 0.0008644200000000, 0.0012990400000000, 0.0339255000000000 ] - [ 0.0015901000000000, 0.0007657300000000, 0.0330133600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0203949600000000, -0.0305626200000000, 0.0173609200000000 ] - [ 0.0000147600000000, -0.0003640500000000, -0.0073132200000000 ] - [ 0.0002566400000000, 0.0008689800000000, -0.0061698800000000 ] - [ 0.0007366600000000, 0.0016065600000000, -0.0072138100000000 ] - [ -0.0133893200000000, 0.0309962300000000, -0.0045463000000000 ] - [ -0.0010343800000000, -0.0003318900000000, -0.0079422400000000 ] - [ -0.0012932100000000, -0.0009093600000000, 0.0064182800000000 ] - [ 0.0022865700000000, -0.0062162400000000, 0.0042742400000000 ] - [ -0.0039775700000000, 0.0040609400000000, 0.0024520800000000 ] - [ -0.0021386700000000, 0.0010745000000000, 0.0064877600000000 ] - [ -0.0065596200000000, -0.0027695200000000, -0.0229290500000000 ] - [ 0.0027567700000000, 0.0012286400000000, 0.0072859600000000 ] - [ 0.1285144100000000, -0.0110997200000000, -0.1445530900000000 ] - [ 0.0019260500000000, 0.0003960800000000, 0.0114023200000000 ] - [ 0.0020992500000000, -0.0001588200000000, -0.0046682400000000 ] - [ -0.0011039000000000, 0.0009485300000000, 0.0085613800000000 ] - [ 0.0014736000000000, -0.0000813400000000, 0.0060941700000000 ] - [ -0.0024251900000000, -0.0041170600000000, 0.0064886400000000 ] - [ -0.0009246100000000, -0.0011137200000000, 0.0027378300000000 ] - [ 0.0017241500000000, 0.0015017200000000, 0.0029365000000000 ] - [ -0.0008638100000000, 0.0052684700000000, -0.0034762200000000 ] - [ 0.0001158000000000, 0.0001756400000000, 0.0044848300000000 ] - [ -0.0728276100000000, 0.0197010900000000, -0.0767590000000000 ] - [ -0.0000933500000000, -0.0001490300000000, 0.0063990200000000 ] - [ -0.0024852200000000, 0.0030118900000000, -0.0078456900000000 ] - [ -0.0021532600000000, 0.0021944000000000, 0.0037447000000000 ] - [ -0.0011633800000000, 0.0002236500000000, 0.0021666200000000 ] - [ 0.0052905100000000, 0.0015605200000000, 0.0016738400000000 ] - [ 0.0291015600000000, 0.1197427700000000, -0.1375242200000000 ] - [ -0.0008947800000000, -0.0024941900000000, 0.0062934600000000 ] - [ 0.0066648900000000, -0.0065543700000000, -0.0034778600000000 ] - [ 0.0025311300000000, -0.0020600300000000, 0.0051665800000000 ] - [ -0.0010733400000000, -0.0008955400000000, 0.0030017100000000 ] - [ -0.0045330300000000, -0.0012440100000000, 0.0032923100000000 ] - [ -0.0116140400000000, -0.0656669500000000, -0.0902770800000000 ] - [ 0.0003944800000000, 0.0026730200000000, 0.0075708900000000 ] - [ -0.0808659900000000, -0.0649292900000000, 0.5059282300000000 ] - [ 0.0021384000000000, -0.0008712300000000, -0.0154027200000000 ] - [ 0.0031378000000000, 0.0016172100000000, -0.0018124500000000 ] - [ 0.0005465900000000, 0.0018502000000000, -0.0105102000000000 ] - [ -0.0009280400000000, -0.0004504000000000, -0.0105353400000000 ] - [ -0.0002930200000000, 0.0027788000000000, -0.0016913000000000 ] - [ 0.0066268000000000, -0.0121652700000000, 0.0103637600000000 ] - [ 0.0008479000000000, -0.0005555400000000, -0.0096484500000000 ] - [ -0.0031616700000000, 0.0119457700000000, 0.0101315600000000 ] - [ 0.0002912500000000, 0.0009053900000000, -0.0096510600000000 ] - [ -0.0016566300000000, -0.0005343000000000, -0.0345172800000000 ] - [ -0.0024172900000000, -0.0000365100000000, -0.0342528900000000 ]- atom: 43 displacement: [ 0.0100000000000000, -0.0000000000979322, 0.0000000000000000 ] forces: - [ -0.0042280900000000, -0.0005429700000000, -0.0092883000000000 ] - [ -0.0004038400000000, -0.0008563900000000, -0.0005300300000000 ] - [ 0.0005297000000000, 0.0007359300000000, -0.0016376000000000 ] - [ 0.0056284300000000, 0.0047804700000000, 0.0017896100000000 ] - [ 0.0047248200000000, 0.0168913400000000, 0.0040050100000000 ] - [ -0.0005928700000000, -0.0001434500000000, -0.0012459600000000 ] - [ 0.0001365800000000, -0.0015379200000000, 0.0014718300000000 ] - [ -0.0005950900000000, -0.0051092700000000, -0.0002657300000000 ] - [ -0.0023351700000000, 0.0008799000000000, 0.0031013500000000 ] - [ -0.0020811700000000, -0.0006714200000000, -0.0002030500000000 ] - [ 0.0041350600000000, -0.0047147600000000, -0.0007706700000000 ] - [ 0.0012581500000000, 0.0009793300000000, 0.0011497900000000 ] - [ 0.0006248900000000, 0.0004657700000000, 0.0058065700000000 ] - [ 0.0021368200000000, 0.0003901300000000, 0.0033267000000000 ] - [ 0.0030407400000000, 0.0014706400000000, 0.0046596500000000 ] - [ 0.0010370300000000, 0.0020268400000000, 0.0042361800000000 ] - [ -0.0004566700000000, -0.0014012000000000, 0.0024238600000000 ] - [ -0.0012507800000000, 0.0027041500000000, 0.0054698500000000 ] - [ 0.0005937900000000, 0.0002805900000000, -0.0001346400000000 ] - [ -0.0046424700000000, 0.0001352200000000, 0.0022274800000000 ] - [ 0.0037116800000000, -0.0011767200000000, -0.0003465400000000 ] - [ 0.0023733700000000, -0.0000232200000000, 0.0002169100000000 ] - [ -0.0105772900000000, -0.0022612700000000, -0.0027657000000000 ] - [ -0.0009449800000000, 0.0006442000000000, 0.0003013400000000 ] - [ 0.0011992400000000, 0.0017994300000000, 0.0008778600000000 ] - [ -0.0015595600000000, 0.0015408500000000, -0.0010400100000000 ] - [ 0.0031321500000000, -0.0001191400000000, -0.0001473200000000 ] - [ 0.0071999100000000, 0.0006895100000000, 0.0028358100000000 ] - [ -0.0072660300000000, -0.0036501000000000, -0.0000199600000000 ] - [ -0.0010826300000000, -0.0025305700000000, -0.0014716300000000 ] - [ -0.0040196000000000, 0.0002028900000000, -0.0014665800000000 ] - [ 0.0019210700000000, -0.0016663100000000, 0.0004180400000000 ] - [ -0.0022583700000000, -0.0016016500000000, 0.0004565700000000 ] - [ 0.0036101200000000, 0.0007416800000000, -0.0006231700000000 ] - [ -0.0012907300000000, 0.0026897000000000, 0.0021436400000000 ] - [ 0.0006796000000000, 0.0028929300000000, -0.0001362700000000 ] - [ 0.0341309000000000, -0.0041575300000000, -0.0069174700000000 ] - [ 0.0009693500000000, -0.0012984400000000, -0.0012608700000000 ] - [ -0.0029394900000000, 0.0066950200000000, -0.0017188700000000 ] - [ -0.0156662800000000, -0.0045234500000000, -0.0016656000000000 ] - [ -0.0017265400000000, 0.0000185900000000, -0.0010550400000000 ] - [ 0.0118336700000000, -0.0139654600000000, -0.0123104700000000 ] - [ -0.0415534800000000, 0.0051193400000000, -0.0023841500000000 ] - [ 0.0000874500000000, -0.0006960300000000, -0.0018872100000000 ] - [ 0.0036297600000000, -0.0040554000000000, 0.0050195200000000 ] - [ 0.0009584900000000, 0.0005855400000000, -0.0020745900000000 ] - [ -0.0006681800000000, 0.0003523500000000, -0.0017583800000000 ] - [ 0.0088565200000000, 0.0009903500000000, 0.0031882600000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000979322, 0.0000000000000000 ] forces: - [ 0.0053372200000000, -0.0003952400000000, 0.0082982700000000 ] - [ 0.0014834000000000, -0.0001939900000000, -0.0004285000000000 ] - [ -0.0001348600000000, 0.0007643300000000, 0.0006795400000000 ] - [ -0.0052027200000000, -0.0032791800000000, -0.0027849900000000 ] - [ -0.0062711500000000, -0.0171423000000000, -0.0049475900000000 ] - [ -0.0008784000000000, -0.0002577600000000, 0.0002794300000000 ] - [ 0.0002116800000000, -0.0010267900000000, -0.0003414400000000 ] - [ 0.0009379900000000, 0.0025200800000000, 0.0013922300000000 ] - [ -0.0000533100000000, 0.0000901500000000, -0.0019771800000000 ] - [ -0.0003001300000000, 0.0016347300000000, 0.0013221600000000 ] - [ -0.0022194000000000, 0.0060244500000000, 0.0019407400000000 ] - [ 0.0007823400000000, 0.0005863100000000, -0.0000186300000000 ] - [ 0.0028059100000000, 0.0006166800000000, -0.0006114600000000 ] - [ 0.0019155100000000, 0.0003985300000000, 0.0018597400000000 ] - [ -0.0057952000000000, 0.0016921600000000, 0.0006277000000000 ] - [ -0.0037508700000000, 0.0011087500000000, 0.0009479700000000 ] - [ -0.0008947300000000, -0.0025020900000000, 0.0027616900000000 ] - [ -0.0001231500000000, -0.0065950100000000, -0.0002648800000000 ] - [ 0.0017444200000000, 0.0007596700000000, -0.0002778800000000 ] - [ 0.0069612000000000, 0.0009310000000000, -0.0026216200000000 ] - [ -0.0039778000000000, -0.0014252000000000, 0.0000267300000000 ] - [ -0.0026413700000000, -0.0025337400000000, -0.0006301300000000 ] - [ 0.0086938200000000, 0.0037871700000000, 0.0023561600000000 ] - [ -0.0011117300000000, 0.0008552300000000, -0.0007033600000000 ] - [ -0.0038727400000000, 0.0009837700000000, -0.0041396900000000 ] - [ -0.0015013900000000, 0.0016027300000000, -0.0021727900000000 ] - [ 0.0011596000000000, 0.0012038300000000, -0.0030471000000000 ] - [ -0.0028476100000000, 0.0004050700000000, -0.0061433500000000 ] - [ 0.0060913400000000, -0.0005581500000000, -0.0032919700000000 ] - [ -0.0001040800000000, -0.0016931800000000, -0.0017338500000000 ] - [ 0.0080290000000000, -0.0034407000000000, 0.0012316300000000 ] - [ 0.0020759700000000, -0.0016475600000000, -0.0006226800000000 ] - [ -0.0026408600000000, -0.0002239100000000, -0.0006344300000000 ] - [ -0.0085769900000000, -0.0025851200000000, 0.0002581000000000 ] - [ 0.0021850400000000, 0.0023598600000000, -0.0024038700000000 ] - [ 0.0001933100000000, 0.0022223300000000, -0.0000570200000000 ] - [ -0.0320703100000000, 0.0012388500000000, 0.0065737600000000 ] - [ 0.0011848000000000, -0.0017629300000000, 0.0006582700000000 ] - [ 0.0044796400000000, -0.0032802700000000, 0.0009770000000000 ] - [ 0.0172188900000000, 0.0079122000000000, 0.0011781000000000 ] - [ -0.0020081000000000, -0.0003611200000000, 0.0004708300000000 ] - [ -0.0153860700000000, 0.0134643700000000, 0.0117232800000000 ] - [ 0.0415058400000000, -0.0060597500000000, 0.0015105500000000 ] - [ -0.0003189500000000, -0.0003561300000000, 0.0009410000000000 ] - [ -0.0025872800000000, 0.0042831900000000, -0.0059022900000000 ] - [ 0.0000715700000000, -0.0002701200000000, 0.0011280900000000 ] - [ -0.0001240400000000, 0.0003808600000000, 0.0008605100000000 ] - [ -0.0096752500000000, -0.0002360400000000, -0.0042467700000000 ]- atom: 43 displacement: [ -0.0049999999359192, 0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0004201100000000, 0.0076475200000000, -0.0118726800000000 ] - [ 0.0002831400000000, 0.0000075700000000, 0.0004182900000000 ] - [ 0.0002318300000000, -0.0005232800000000, -0.0020216600000000 ] - [ 0.0002780600000000, -0.0009491700000000, 0.0023131000000000 ] - [ 0.0117042300000000, 0.0118678900000000, 0.0031132900000000 ] - [ -0.0006802900000000, -0.0000266900000000, -0.0000819500000000 ] - [ 0.0003299300000000, -0.0012288500000000, 0.0006476000000000 ] - [ -0.0033892800000000, -0.0043989500000000, -0.0009911200000000 ] - [ -0.0022818500000000, 0.0000112400000000, 0.0038156800000000 ] - [ -0.0005378000000000, 0.0008135800000000, -0.0006320800000000 ] - [ -0.0025664700000000, 0.0008265000000000, 0.0003207500000000 ] - [ 0.0009874900000000, 0.0006612100000000, 0.0000209900000000 ] - [ 0.0017303200000000, 0.0031020100000000, -0.0006066500000000 ] - [ 0.0019321300000000, 0.0003783700000000, 0.0021336400000000 ] - [ -0.0048219400000000, 0.0070013200000000, -0.0005567300000000 ] - [ -0.0019702400000000, 0.0016790100000000, 0.0013495800000000 ] - [ -0.0008025900000000, -0.0028280100000000, 0.0024906600000000 ] - [ 0.0014307200000000, -0.0089944400000000, 0.0006251600000000 ] - [ 0.0010751400000000, 0.0008513000000000, 0.0000295900000000 ] - [ 0.0051876900000000, -0.0008835900000000, -0.0018219400000000 ] - [ -0.0008105100000000, 0.0039337000000000, 0.0043644600000000 ] - [ -0.0005006400000000, -0.0013762500000000, -0.0006230900000000 ] - [ 0.0044706800000000, -0.0022981600000000, 0.0002019900000000 ] - [ -0.0010393900000000, 0.0007087300000000, -0.0005316200000000 ] - [ -0.0026450500000000, 0.0029293600000000, -0.0047934100000000 ] - [ -0.0015325800000000, 0.0015553500000000, -0.0021370300000000 ] - [ 0.0007112200000000, 0.0025778600000000, -0.0033853500000000 ] - [ 0.0007665700000000, 0.0040471000000000, -0.0032680800000000 ] - [ 0.0035319400000000, 0.0002383100000000, -0.0044763900000000 ] - [ -0.0005027300000000, -0.0016878400000000, -0.0013830400000000 ] - [ 0.0053520600000000, -0.0123449400000000, 0.0016824700000000 ] - [ 0.0019244100000000, -0.0016648200000000, -0.0004485800000000 ] - [ -0.0026388200000000, 0.0020337200000000, -0.0004229600000000 ] - [ -0.0040168900000000, 0.0019508200000000, -0.0012322200000000 ] - [ 0.0037595600000000, -0.0031558900000000, -0.0018007300000000 ] - [ 0.0004296100000000, 0.0019547800000000, 0.0001995700000000 ] - [ -0.0180659300000000, 0.0017998300000000, 0.0131911000000000 ] - [ 0.0011562100000000, -0.0015082800000000, 0.0002180700000000 ] - [ 0.0059339400000000, -0.0154250600000000, 0.0016673400000000 ] - [ 0.0041350300000000, 0.0005803200000000, 0.0010570600000000 ] - [ -0.0016291000000000, -0.0000732300000000, 0.0002612800000000 ] - [ -0.0236222800000000, 0.0257491300000000, 0.0079407900000000 ] - [ 0.0254407300000000, -0.0352493300000000, 0.0026790300000000 ] - [ -0.0003693600000000, -0.0005232100000000, 0.0007286100000000 ] - [ -0.0036811100000000, 0.0084150400000000, -0.0041490900000000 ] - [ 0.0006854800000000, -0.0000568000000000, 0.0006707600000000 ] - [ -0.0002893600000000, 0.0009883500000000, 0.0007975200000000 ] - [ -0.0054939600000000, 0.0008868600000000, -0.0057019700000000 ]- atom: 43 displacement: [ 0.0049999999359192, -0.0086602540748415, 0.0000000000000000 ] forces: - [ 0.0006090300000000, -0.0087027100000000, 0.0109263500000000 ] - [ 0.0008081700000000, -0.0010444200000000, -0.0013604200000000 ] - [ 0.0001544300000000, 0.0020040300000000, 0.0010695700000000 ] - [ 0.0001960700000000, 0.0025426300000000, -0.0033110200000000 ] - [ -0.0130193700000000, -0.0123288900000000, -0.0040149900000000 ] - [ -0.0007832700000000, -0.0003746800000000, -0.0008640400000000 ] - [ 0.0000298100000000, -0.0013329700000000, 0.0004619600000000 ] - [ 0.0037467900000000, 0.0018313500000000, 0.0021384300000000 ] - [ -0.0001168800000000, 0.0009531600000000, -0.0027064000000000 ] - [ -0.0018702000000000, 0.0001277600000000, 0.0017459100000000 ] - [ 0.0044874000000000, 0.0005335600000000, 0.0008696700000000 ] - [ 0.0010441200000000, 0.0009166800000000, 0.0010871100000000 ] - [ 0.0018193900000000, -0.0020586200000000, 0.0058228300000000 ] - [ 0.0021223300000000, 0.0004088100000000, 0.0030414300000000 ] - [ 0.0020649200000000, -0.0037949800000000, 0.0058931900000000 ] - [ -0.0007577400000000, 0.0014753100000000, 0.0038031600000000 ] - [ -0.0005458600000000, -0.0010744400000000, 0.0026726800000000 ] - [ -0.0027760900000000, 0.0051159700000000, 0.0046515100000000 ] - [ 0.0012656800000000, 0.0001833800000000, -0.0004509200000000 ] - [ -0.0029339900000000, 0.0019073000000000, 0.0014744400000000 ] - [ 0.0005497500000000, -0.0065587000000000, -0.0046962900000000 ] - [ 0.0002282100000000, -0.0012122000000000, 0.0001774500000000 ] - [ -0.0064406000000000, 0.0038374200000000, -0.0005924800000000 ] - [ -0.0010204300000000, 0.0007998500000000, 0.0001218000000000 ] - [ 0.0002354700000000, -0.0003562300000000, 0.0015463600000000 ] - [ -0.0015193900000000, 0.0015799900000000, -0.0010936300000000 ] - [ 0.0035530300000000, -0.0015014200000000, 0.0001591400000000 ] - [ 0.0035497900000000, -0.0029749600000000, -0.0000682500000000 ] - [ -0.0046994700000000, -0.0044741000000000, 0.0012221100000000 ] - [ -0.0006818600000000, -0.0025356400000000, -0.0018449600000000 ] - [ -0.0014163500000000, 0.0091104900000000, -0.0018699900000000 ] - [ 0.0020686800000000, -0.0016398100000000, 0.0002306600000000 ] - [ -0.0022414100000000, -0.0038544000000000, 0.0002167600000000 ] - [ -0.0009044200000000, -0.0038107700000000, 0.0009312600000000 ] - [ -0.0028513700000000, 0.0082706600000000, 0.0015959500000000 ] - [ 0.0004380100000000, 0.0031615100000000, -0.0004111900000000 ] - [ 0.0199759100000000, -0.0047652300000000, -0.0137537400000000 ] - [ 0.0010001800000000, -0.0015599600000000, -0.0007865500000000 ] - [ -0.0043750400000000, 0.0188559300000000, -0.0023404600000000 ] - [ -0.0025453100000000, 0.0028060900000000, -0.0014662800000000 ] - [ -0.0021028200000000, -0.0002667000000000, -0.0008111400000000 ] - [ 0.0200870700000000, -0.0261437600000000, -0.0087606500000000 ] - [ -0.0257717900000000, 0.0346631800000000, -0.0037682500000000 ] - [ 0.0001294200000000, -0.0005274900000000, -0.0016307900000000 ] - [ 0.0047462200000000, -0.0081160100000000, 0.0033567500000000 ] - [ 0.0003526100000000, 0.0003740000000000, -0.0016279000000000 ] - [ -0.0004999000000000, -0.0002530900000000, -0.0017078200000000 ] - [ 0.0046110800000000, -0.0001968900000000, 0.0047216800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0065608100000000, -0.0150267700000000, -0.0012462100000000 ] - [ 0.0015940600000000, 0.0028038600000000, 0.0061345000000000 ] - [ -0.0024137200000000, -0.0021909100000000, 0.0043987500000000 ] - [ 0.0082847200000000, 0.0135873700000000, 0.0000741000000000 ] - [ -0.0050398500000000, -0.0013622300000000, -0.0178363600000000 ] - [ -0.0002050200000000, -0.0002555500000000, 0.0059363600000000 ] - [ 0.0004989400000000, 0.0005021600000000, -0.0049053100000000 ] - [ -0.0014949900000000, -0.0058514400000000, 0.0089653200000000 ] - [ 0.0014962500000000, 0.0017088900000000, -0.0020040100000000 ] - [ -0.0017443300000000, -0.0028108900000000, -0.0036586700000000 ] - [ 0.0040559700000000, 0.0037553300000000, 0.0136830900000000 ] - [ -0.0004698800000000, -0.0000555200000000, -0.0053632900000000 ] - [ 0.0042309500000000, -0.0008958300000000, 0.0111067800000000 ] - [ 0.0024953700000000, 0.0003054600000000, -0.0023454000000000 ] - [ -0.0021084500000000, 0.0017300300000000, 0.0025050300000000 ] - [ -0.0031289600000000, 0.0043440100000000, -0.0059808900000000 ] - [ -0.0012610800000000, -0.0035676100000000, -0.0011710000000000 ] - [ -0.0002932800000000, 0.0010452000000000, 0.0046250100000000 ] - [ 0.0032016900000000, 0.0012785700000000, -0.0030236200000000 ] - [ -0.0019589100000000, -0.0012819300000000, 0.0024669800000000 ] - [ 0.0008364600000000, 0.0024880300000000, -0.0035585300000000 ] - [ -0.0010707500000000, -0.0056016500000000, -0.0075416300000000 ] - [ 0.0018401200000000, 0.0004754800000000, 0.0080823900000000 ] - [ -0.0021743200000000, 0.0016129600000000, -0.0042175500000000 ] - [ 0.0006726100000000, -0.0005266900000000, 0.0059759400000000 ] - [ -0.0009430500000000, 0.0009517300000000, -0.0063106600000000 ] - [ -0.0013494400000000, 0.0004087800000000, -0.0097915400000000 ] - [ 0.0033406300000000, 0.0013638500000000, -0.0048687200000000 ] - [ -0.0018118100000000, -0.0041166200000000, 0.0005449100000000 ] - [ 0.0001228200000000, -0.0008175500000000, -0.0050369200000000 ] - [ 0.0056409400000000, -0.0015981900000000, 0.0081822400000000 ] - [ 0.0013195900000000, -0.0012517400000000, -0.0043850200000000 ] - [ 0.0004607500000000, 0.0017035700000000, -0.0074073600000000 ] - [ -0.0033316200000000, -0.0031066900000000, 0.0002254800000000 ] - [ 0.0003994700000000, 0.0062809600000000, 0.0024164300000000 ] - [ 0.0005294300000000, 0.0006827900000000, -0.0029665400000000 ] - [ -0.0010658100000000, 0.0008131100000000, -0.0111735100000000 ] - [ 0.0013873700000000, -0.0023245300000000, 0.0088863900000000 ] - [ 0.0028862800000000, -0.0008826700000000, 0.0335314600000000 ] - [ 0.0040933300000000, 0.0007189600000000, 0.0337159200000000 ] - [ -0.0015246600000000, -0.0000602200000000, 0.0089038500000000 ] - [ -0.0051389500000000, 0.0010842100000000, -0.0108373800000000 ] - [ -0.0019783500000000, 0.0020991600000000, -0.0563281200000000 ] - [ -0.0015324300000000, 0.0000207500000000, 0.0107530200000000 ] - [ 0.0020174500000000, 0.0053404900000000, -0.0052856600000000 ] - [ 0.0005744500000000, -0.0013145400000000, 0.0056696300000000 ] - [ 0.0007560300000000, 0.0015511300000000, 0.0056502300000000 ] - [ -0.0041352100000000, -0.0037570600000000, -0.0051899200000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0075393500000000, 0.0138009600000000, 0.0001478400000000 ] - [ -0.0005309400000000, -0.0038907300000000, -0.0070983800000000 ] - [ 0.0027762800000000, 0.0036417100000000, -0.0053733500000000 ] - [ -0.0079946300000000, -0.0122263400000000, -0.0010050800000000 ] - [ 0.0035839700000000, 0.0009597500000000, 0.0169942600000000 ] - [ -0.0012631600000000, -0.0001449900000000, -0.0069011500000000 ] - [ -0.0001470400000000, -0.0030509200000000, 0.0060321900000000 ] - [ 0.0018552600000000, 0.0033306200000000, -0.0079346800000000 ] - [ -0.0038634400000000, -0.0007117400000000, 0.0031642200000000 ] - [ -0.0006172200000000, 0.0037946100000000, 0.0047666300000000 ] - [ -0.0020505000000000, -0.0022729400000000, -0.0124600400000000 ] - [ 0.0025084400000000, 0.0016365600000000, 0.0064933000000000 ] - [ -0.0001236300000000, 0.0016555700000000, -0.0058903100000000 ] - [ 0.0015683500000000, 0.0004789500000000, 0.0075332000000000 ] - [ -0.0006841000000000, 0.0015560100000000, 0.0031640500000000 ] - [ 0.0004275300000000, -0.0012342000000000, 0.0111876300000000 ] - [ -0.0000912000000000, -0.0003453600000000, 0.0063650800000000 ] - [ -0.0010600700000000, -0.0049870500000000, 0.0004901800000000 ] - [ -0.0008482200000000, -0.0002409600000000, 0.0026216300000000 ] - [ 0.0043592000000000, 0.0023388800000000, -0.0029429500000000 ] - [ -0.0010793900000000, -0.0050796200000000, 0.0033612600000000 ] - [ 0.0008104200000000, 0.0030665400000000, 0.0071504300000000 ] - [ -0.0038791100000000, 0.0010469500000000, -0.0085072200000000 ] - [ 0.0001060500000000, -0.0001009500000000, 0.0038099800000000 ] - [ -0.0037592800000000, 0.0036899400000000, -0.0092378000000000 ] - [ -0.0021252700000000, 0.0021969500000000, 0.0030917100000000 ] - [ 0.0055947200000000, 0.0006676900000000, 0.0065488400000000 ] - [ 0.0010308000000000, -0.0002528200000000, 0.0013318800000000 ] - [ 0.0006104600000000, -0.0001358400000000, -0.0037007200000000 ] - [ -0.0013155400000000, -0.0034138800000000, 0.0018096400000000 ] - [ -0.0016203300000000, -0.0016985300000000, -0.0084140900000000 ] - [ 0.0026882200000000, -0.0020650800000000, 0.0041789700000000 ] - [ -0.0053238800000000, -0.0035098000000000, 0.0071906300000000 ] - [ -0.0016808400000000, 0.0012531400000000, -0.0008048600000000 ] - [ 0.0004768100000000, -0.0011166900000000, -0.0025505100000000 ] - [ 0.0003355900000000, 0.0044608700000000, 0.0027538800000000 ] - [ 0.0031917100000000, -0.0038457600000000, 0.0103978500000000 ] - [ 0.0007676500000000, -0.0007393300000000, -0.0094733000000000 ] - [ -0.0013299300000000, 0.0043138200000000, -0.0337305000000000 ] - [ -0.0025512300000000, 0.0026960200000000, -0.0347219400000000 ] - [ -0.0022049100000000, -0.0002825700000000, -0.0094848000000000 ] - [ 0.0013987100000000, -0.0014281400000000, 0.0104630900000000 ] - [ 0.0019001500000000, -0.0031118600000000, 0.0554401400000000 ] - [ 0.0012955700000000, -0.0010714600000000, -0.0116880300000000 ] - [ -0.0009734600000000, -0.0049748100000000, 0.0042611700000000 ] - [ 0.0004592200000000, 0.0016437400000000, -0.0065845700000000 ] - [ -0.0015408800000000, -0.0008178900000000, -0.0066023700000000 ] - [ 0.0033736800000000, 0.0045209500000000, 0.0043569600000000 ]