# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9fb2cea8-629a-46f4-b1e6-6e0dc0bcf359/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 Li2TeO3 / C2/m (12) / materials id 559554](https://mdr.nims.go.jp/datasets/6d184794-7764-42ce-a7fa-9118c7c1936d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.529377050000000, -4.762028765000000, 0.071620600000000 ] # a - [ 2.529377050000000, 4.762028765000000, 0.071620600000000 ] # b - [ -0.833426710000000, 0.000000000000000, 7.395392590000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.362671970000000, 0.048634030000000, 0.122767500000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.048634030000000, 0.362671970000000, 0.122767500000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.951365970000000, 0.637328030000000, 0.877232500000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.637328030000000, 0.951365970000000, 0.877232500000000 ] mass: 6.941000 - symbol: Te # 5 coordinates: [ 0.735791110000000, 0.735791110000000, 0.293988040000000 ] mass: 127.600000 - symbol: Te # 6 coordinates: [ 0.264208890000000, 0.264208890000000, 0.706011960000000 ] mass: 127.600000 - symbol: O # 7 coordinates: [ 0.635089160000000, 0.635089160000000, 0.746588660000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.364910840000000, 0.364910840000000, 0.253411340000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.970784880000000, 0.670586760000000, 0.145395360000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.329413240000000, 0.029215120000000, 0.854604640000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.670586760000000, 0.970784880000000, 0.145395360000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.029215120000000, 0.329413240000000, 0.854604640000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.197048344898748, -0.104997265802950, 0.022206441619066 ] # a* - [ 0.197048344898748, 0.104997265802950, 0.022206441619066 ] # b* - [ -0.003816625153812, 0.000000000000000, 0.134789209703708 ] # c*unit_cell: lattice: - [ 5.058754100000000, 0.000000000000000, 0.143241200000000 ] # a - [ 0.000000000000000, 9.524057530000000, 0.000000000000000 ] # b - [ -0.833426710000000, 0.000000000000000, 7.395392590000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.705653000000000, 0.342981030000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.205653000000000, 0.157018970000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.294347000000000, 0.342981030000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.794347000000000, 0.157018970000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.205653000000000, 0.842981030000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.705653000000000, 0.657018970000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 7 coordinates: [ 0.794347000000000, 0.842981030000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 8 coordinates: [ 0.294347000000000, 0.657018970000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 4 - symbol: Te # 9 coordinates: [ 0.235791110000000, 0.500000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.264208890000000, 0.000000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 10 - symbol: Te # 11 coordinates: [ 0.735791110000000, 0.000000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 12 coordinates: [ 0.764208890000000, 0.500000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.135089160000000, 0.500000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.364910840000000, 0.000000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.320685820000000, 0.349900940000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.679314180000000, 0.349900940000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.820685820000000, 0.150099060000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.179314180000000, 0.150099060000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.635089160000000, 0.000000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.864910840000000, 0.500000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 21 coordinates: [ 0.820685820000000, 0.849900940000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 22 coordinates: [ 0.179314180000000, 0.849900940000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 23 coordinates: [ 0.320685820000000, 0.650099060000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.679314180000000, 0.650099060000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 18supercell: lattice: - [ 15.176262299999999, 0.000000000000000, 0.429723600000000 ] # a - [ 0.000000000000000, 19.048115060000001, 0.000000000000000 ] # b - [ -0.833426710000000, 0.000000000000000, 7.395392590000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.235217666666667, 0.171490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.568551000000000, 0.171490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.901884333333333, 0.171490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.235217666666667, 0.671490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.568551000000000, 0.671490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.901884333333333, 0.671490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.068551000000000, 0.078509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.401884333333333, 0.078509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 9 coordinates: [ 0.735217666666667, 0.078509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 10 coordinates: [ 0.068551000000000, 0.578509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 11 coordinates: [ 0.401884333333333, 0.578509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 12 coordinates: [ 0.735217666666667, 0.578509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 13 coordinates: [ 0.098115666666667, 0.171490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.431449000000000, 0.171490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.764782333333333, 0.171490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.098115666666667, 0.671490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.431449000000000, 0.671490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 18 coordinates: [ 0.764782333333333, 0.671490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 19 coordinates: [ 0.264782333333333, 0.078509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.598115666666667, 0.078509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 21 coordinates: [ 0.931449000000000, 0.078509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 22 coordinates: [ 0.264782333333333, 0.578509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 23 coordinates: [ 0.598115666666667, 0.578509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 24 coordinates: [ 0.931449000000000, 0.578509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 25 coordinates: [ 0.068551000000000, 0.421490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 26 coordinates: [ 0.401884333333333, 0.421490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 27 coordinates: [ 0.735217666666667, 0.421490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 28 coordinates: [ 0.068551000000000, 0.921490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 29 coordinates: [ 0.401884333333333, 0.921490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 30 coordinates: [ 0.735217666666667, 0.921490515000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 31 coordinates: [ 0.235217666666667, 0.328509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 32 coordinates: [ 0.568551000000000, 0.328509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 33 coordinates: [ 0.901884333333333, 0.328509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 34 coordinates: [ 0.235217666666667, 0.828509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 35 coordinates: [ 0.568551000000000, 0.828509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 36 coordinates: [ 0.901884333333333, 0.828509485000000, 0.122767500000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 37 coordinates: [ 0.264782333333333, 0.421490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 38 coordinates: [ 0.598115666666667, 0.421490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 39 coordinates: [ 0.931449000000000, 0.421490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 40 coordinates: [ 0.264782333333333, 0.921490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 41 coordinates: [ 0.598115666666667, 0.921490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 42 coordinates: [ 0.931449000000000, 0.921490515000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 43 coordinates: [ 0.098115666666667, 0.328509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 44 coordinates: [ 0.431449000000000, 0.328509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 45 coordinates: [ 0.764782333333333, 0.328509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 46 coordinates: [ 0.098115666666667, 0.828509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 47 coordinates: [ 0.431449000000000, 0.828509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 48 coordinates: [ 0.764782333333333, 0.828509485000000, 0.877232500000000 ] mass: 6.941000 reduced_to: 19 - symbol: Te # 49 coordinates: [ 0.078597036666667, 0.250000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.411930370000000, 0.250000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 51 coordinates: [ 0.745263703333333, 0.250000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 52 coordinates: [ 0.078597036666667, 0.750000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 53 coordinates: [ 0.411930370000000, 0.750000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 54 coordinates: [ 0.745263703333333, 0.750000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 55 coordinates: [ 0.088069630000000, 0.000000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.421402963333333, 0.000000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 57 coordinates: [ 0.754736296666667, 0.000000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 58 coordinates: [ 0.088069630000000, 0.500000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 59 coordinates: [ 0.421402963333333, 0.500000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 60 coordinates: [ 0.754736296666667, 0.500000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 61 coordinates: [ 0.245263703333333, 0.000000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 62 coordinates: [ 0.578597036666667, 0.000000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 63 coordinates: [ 0.911930370000000, 0.000000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 64 coordinates: [ 0.245263703333333, 0.500000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 65 coordinates: [ 0.578597036666667, 0.500000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 66 coordinates: [ 0.911930370000000, 0.500000000000000, 0.293988040000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 67 coordinates: [ 0.254736296666667, 0.250000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 68 coordinates: [ 0.588069630000000, 0.250000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 69 coordinates: [ 0.921402963333333, 0.250000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 70 coordinates: [ 0.254736296666667, 0.750000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 71 coordinates: [ 0.588069630000000, 0.750000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 72 coordinates: [ 0.921402963333333, 0.750000000000000, 0.706011960000000 ] mass: 127.600000 reduced_to: 55 - symbol: O # 73 coordinates: [ 0.045029720000000, 0.250000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.378363053333333, 0.250000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.711696386666667, 0.250000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.045029720000000, 0.750000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.378363053333333, 0.750000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.711696386666667, 0.750000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.121636946666667, 0.000000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.454970280000000, 0.000000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.788303613333333, 0.000000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.121636946666667, 0.500000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 83 coordinates: [ 0.454970280000000, 0.500000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 84 coordinates: [ 0.788303613333333, 0.500000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 85 coordinates: [ 0.106895273333333, 0.174950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.440228606666667, 0.174950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.773561940000000, 0.174950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.106895273333333, 0.674950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.440228606666667, 0.674950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.773561940000000, 0.674950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.226438060000000, 0.174950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.559771393333333, 0.174950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.893104726666667, 0.174950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.226438060000000, 0.674950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.559771393333333, 0.674950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.893104726666667, 0.674950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.273561940000000, 0.075049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.606895273333333, 0.075049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.940228606666667, 0.075049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.273561940000000, 0.575049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.606895273333333, 0.575049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.940228606666667, 0.575049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.059771393333333, 0.075049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.393104726666667, 0.075049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.726438060000000, 0.075049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.059771393333333, 0.575049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 107 coordinates: [ 0.393104726666667, 0.575049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 108 coordinates: [ 0.726438060000000, 0.575049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 109 coordinates: [ 0.211696386666667, 0.000000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 110 coordinates: [ 0.545029720000000, 0.000000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 111 coordinates: [ 0.878363053333333, 0.000000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 112 coordinates: [ 0.211696386666667, 0.500000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 113 coordinates: [ 0.545029720000000, 0.500000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.878363053333333, 0.500000000000000, 0.746588660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 115 coordinates: [ 0.288303613333333, 0.250000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 116 coordinates: [ 0.621636946666667, 0.250000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 117 coordinates: [ 0.954970280000000, 0.250000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 118 coordinates: [ 0.288303613333333, 0.750000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 119 coordinates: [ 0.621636946666667, 0.750000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.954970280000000, 0.750000000000000, 0.253411340000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 121 coordinates: [ 0.273561940000000, 0.424950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 122 coordinates: [ 0.606895273333333, 0.424950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 123 coordinates: [ 0.940228606666667, 0.424950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 124 coordinates: [ 0.273561940000000, 0.924950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 125 coordinates: [ 0.606895273333333, 0.924950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.940228606666667, 0.924950470000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 127 coordinates: [ 0.059771393333333, 0.424950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 128 coordinates: [ 0.393104726666667, 0.424950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 129 coordinates: [ 0.726438060000000, 0.424950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 130 coordinates: [ 0.059771393333333, 0.924950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 131 coordinates: [ 0.393104726666667, 0.924950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.726438060000000, 0.924950470000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 133 coordinates: [ 0.106895273333333, 0.325049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 134 coordinates: [ 0.440228606666667, 0.325049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 135 coordinates: [ 0.773561940000000, 0.325049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 136 coordinates: [ 0.106895273333333, 0.825049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 137 coordinates: [ 0.440228606666667, 0.825049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 138 coordinates: [ 0.773561940000000, 0.825049530000000, 0.145395360000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 139 coordinates: [ 0.226438060000000, 0.325049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 140 coordinates: [ 0.559771393333333, 0.325049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 141 coordinates: [ 0.893104726666667, 0.325049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 142 coordinates: [ 0.226438060000000, 0.825049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 143 coordinates: [ 0.559771393333333, 0.825049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 144 coordinates: [ 0.893104726666667, 0.825049530000000, 0.854604640000000 ] mass: 15.999400 reduced_to: 103born_effective_charge:- # 1 (Li) - [ 1.067584900000000, 0.189090040000000, 0.040755540000000 ] - [ -0.166981370000000, 1.138158300000000, -0.089245360000000 ] - [ -0.004915190000000, -0.004715770000000, 0.964145140000000 ]- # 2 (Li) - [ 1.067584900000000, -0.189090040000000, 0.040755540000000 ] - [ 0.166981370000000, 1.138158300000000, 0.089245360000000 ] - [ -0.004915190000000, 0.004715770000000, 0.964145140000000 ]- # 3 (Li) - [ 1.067584900000000, -0.189090040000000, 0.040755540000000 ] - [ 0.166981370000000, 1.138158300000000, 0.089245360000000 ] - [ -0.004915190000000, 0.004715770000000, 0.964145140000000 ]- # 4 (Li) - [ 1.067584900000000, 0.189090040000000, 0.040755540000000 ] - [ -0.166981370000000, 1.138158300000000, -0.089245360000000 ] - [ -0.004915190000000, -0.004715770000000, 0.964145140000000 ]- # 5 (Te) - [ 3.149212180000001, -0.000000000000000, -0.271771340000000 ] - [ -0.000000000000000, 2.513763460000000, 0.000000000000000 ] - [ -0.431351680000000, 0.000000000000000, 2.085289300000000 ]- # 6 (Te) - [ 3.149212180000001, -0.000000000000000, -0.271771340000000 ] - [ -0.000000000000000, 2.513763460000000, 0.000000000000000 ] - [ -0.431351680000000, 0.000000000000000, 2.085289300000000 ]- # 7 (O) - [ -2.590184770000000, 0.000000000000000, -0.476997260000000 ] - [ 0.000000000000000, -0.923569200000000, 0.000000000000000 ] - [ 0.155180930000000, -0.000000000000000, -1.195486180000000 ]- # 8 (O) - [ -2.590184770000000, 0.000000000000000, -0.476997260000000 ] - [ 0.000000000000000, -0.923569200000000, 0.000000000000000 ] - [ 0.155180930000000, -0.000000000000000, -1.195486180000000 ]- # 9 (O) - [ -1.347098610000000, 0.419617190000000, 0.333628760000000 ] - [ 0.207170960000000, -1.933255440000000, -0.746460120000000 ] - [ 0.143000560000000, -0.441818850000000, -1.409046700000000 ]- # 10 (O) - [ -1.347098610000000, -0.419617190000000, 0.333628760000000 ] - [ -0.207170960000000, -1.933255440000000, 0.746460120000000 ] - [ 0.143000560000000, 0.441818850000000, -1.409046700000000 ]- # 11 (O) - [ -1.347098610000000, -0.419617190000000, 0.333628760000000 ] - [ -0.207170960000000, -1.933255440000000, 0.746460120000000 ] - [ 0.143000560000000, 0.441818850000000, -1.409046700000000 ]- # 12 (O) - [ -1.347098610000000, 0.419617190000000, 0.333628760000000 ] - [ 0.207170960000000, -1.933255440000000, -0.746460120000000 ] - [ 0.143000560000000, -0.441818850000000, -1.409046700000000 ]dielectric_constant: - [ 3.225872060000000, 0.000000000000000, -0.105733280000000 ] - [ 0.000000000000000, 2.859351080000000, 0.000000000000000 ] - [ -0.105732910000000, 0.000000000000000, 2.819799470000000 ]displacements:- atom: 1 displacement: [ 0.0099959935686070, 0.0000000000000000, 0.0002830416512950 ] forces: - [ -0.0453800600000000, 0.0010131000000000, -0.0053764400000000 ] - [ 0.0010181300000000, 0.0001913100000000, 0.0005128200000000 ] - [ 0.0009991800000000, 0.0008146700000000, 0.0009777300000000 ] - [ -0.0003727900000000, 0.0001308400000000, 0.0006310000000000 ] - [ -0.0002341300000000, 0.0002069400000000, 0.0006474300000000 ] - [ -0.0002294700000000, 0.0001073400000000, 0.0006448000000000 ] - [ 0.0018053700000000, 0.0032291100000000, 0.0010203900000000 ] - [ 0.0018466400000000, -0.0033660200000000, 0.0004709000000000 ] - [ 0.0001597900000000, -0.0001618300000000, 0.0006804600000000 ] - [ -0.0003612800000000, -0.0003128700000000, 0.0006022100000000 ] - [ -0.0003674000000000, -0.0002053700000000, 0.0006392800000000 ] - [ -0.0001503000000000, -0.0002914600000000, 0.0006594100000000 ] - [ 0.0027776200000000, 0.0005988300000000, 0.0053457500000000 ] - [ 0.0016379700000000, 0.0001299000000000, -0.0021892800000000 ] - [ 0.0008696200000000, 0.0002095200000000, -0.0005521500000000 ] - [ 0.0001989000000000, 0.0001146200000000, -0.0006540700000000 ] - [ 0.0002980800000000, 0.0002073000000000, -0.0006461500000000 ] - [ 0.0003577500000000, 0.0001440000000000, -0.0006266900000000 ] - [ -0.0015819300000000, -0.0020373800000000, -0.0026601100000000 ] - [ 0.0006910700000000, -0.0002534800000000, -0.0006639600000000 ] - [ 0.0005948300000000, 0.0002489600000000, -0.0004626300000000 ] - [ 0.0001652200000000, -0.0002856000000000, -0.0006696200000000 ] - [ 0.0004032400000000, -0.0001984700000000, -0.0006377400000000 ] - [ 0.0003378500000000, -0.0002961200000000, -0.0005950800000000 ] - [ -0.0001914600000000, -0.0008250900000000, 0.0008184900000000 ] - [ -0.0005171800000000, 0.0008883900000000, 0.0005097400000000 ] - [ -0.0000308800000000, 0.0001680600000000, 0.0006765700000000 ] - [ -0.0005119200000000, 0.0002325000000000, 0.0004945600000000 ] - [ -0.0001927900000000, -0.0000238100000000, 0.0006617800000000 ] - [ -0.0000260300000000, 0.0002710400000000, 0.0006832200000000 ] - [ -0.0028181100000000, 0.0000578600000000, 0.0001523000000000 ] - [ 0.0004484900000000, -0.0000245900000000, 0.0006440400000000 ] - [ 0.0004398700000000, -0.0009252400000000, 0.0009974300000000 ] - [ -0.0004760600000000, -0.0004274600000000, 0.0005690900000000 ] - [ -0.0002266300000000, -0.0003502800000000, 0.0006362000000000 ] - [ -0.0002259600000000, -0.0000988700000000, 0.0006502500000000 ] - [ 0.0000039700000000, 0.0003429400000000, -0.0006864900000000 ] - [ 0.0005125500000000, 0.0003541000000000, -0.0006351600000000 ] - [ 0.0003743000000000, -0.0001462400000000, -0.0005719100000000 ] - [ 0.0000072900000000, 0.0001308500000000, -0.0008956600000000 ] - [ 0.0005099800000000, 0.0000543000000000, -0.0006309400000000 ] - [ 0.0003738600000000, 0.0003121800000000, -0.0005660300000000 ] - [ -0.0001953000000000, -0.0009728900000000, 0.0002495100000000 ] - [ 0.0004256700000000, 0.0002032100000000, -0.0011615800000000 ] - [ 0.0007984000000000, -0.0001659400000000, -0.0005524100000000 ] - [ 0.0001609600000000, -0.0001167200000000, -0.0006777100000000 ] - [ 0.0003480700000000, -0.0004134900000000, -0.0006343800000000 ] - [ 0.0003795900000000, -0.0001846500000000, -0.0006259900000000 ] - [ 0.0066987900000000, -0.0101467900000000, -0.0052618000000000 ] - [ 0.0069476500000000, 0.0078855600000000, 0.0057038800000000 ] - [ 0.0020066000000000, 0.0000447800000000, 0.0002477300000000 ] - [ -0.0003543000000000, -0.0000961700000000, 0.0002729200000000 ] - [ -0.0002269200000000, -0.0002539200000000, 0.0003169300000000 ] - [ 0.0000582500000000, -0.0000558800000000, 0.0002541200000000 ] - [ -0.0011935700000000, 0.0012847100000000, -0.0000324900000000 ] - [ 0.0004861600000000, -0.0009429100000000, -0.0003079100000000 ] - [ 0.0009597100000000, 0.0001260500000000, -0.0002523600000000 ] - [ -0.0002796300000000, -0.0005403300000000, -0.0002750200000000 ] - [ 0.0001683300000000, 0.0003159500000000, -0.0002937500000000 ] - [ 0.0006512900000000, -0.0001207500000000, -0.0002809000000000 ] - [ -0.0031466500000000, -0.0007293200000000, 0.0008762100000000 ] - [ 0.0008116600000000, -0.0005087400000000, 0.0003389500000000 ] - [ 0.0003715600000000, 0.0010992800000000, -0.0000622100000000 ] - [ -0.0010061600000000, 0.0000206000000000, 0.0003484600000000 ] - [ 0.0001735900000000, 0.0002668700000000, 0.0003358700000000 ] - [ 0.0002069500000000, -0.0006721000000000, 0.0001253700000000 ] - [ -0.0024496900000000, 0.0008378500000000, -0.0018556000000000 ] - [ 0.0014233300000000, 0.0003591100000000, -0.0001087000000000 ] - [ 0.0018332200000000, -0.0002200000000000, -0.0004494300000000 ] - [ -0.0000327000000000, -0.0001774000000000, -0.0002523800000000 ] - [ 0.0003987500000000, -0.0001516600000000, -0.0002931400000000 ] - [ 0.0002062700000000, -0.0000104200000000, -0.0002459000000000 ] - [ -0.0010821000000000, 0.0002757000000000, -0.0007238200000000 ] - [ 0.0009311500000000, -0.0002190900000000, 0.0006980800000000 ] - [ -0.0017153300000000, -0.0000467000000000, -0.0005051000000000 ] - [ -0.0003701600000000, 0.0000041300000000, -0.0001847900000000 ] - [ -0.0003285200000000, 0.0000807300000000, -0.0001626500000000 ] - [ -0.0006410800000000, 0.0000297300000000, -0.0002345900000000 ] - [ 0.0029067600000000, -0.0009823300000000, 0.0005849900000000 ] - [ -0.0001931000000000, 0.0005319700000000, -0.0000276200000000 ] - [ -0.0002978500000000, -0.0001405700000000, 0.0001108500000000 ] - [ 0.0010169800000000, 0.0003276100000000, 0.0003275000000000 ] - [ 0.0003506200000000, -0.0002099400000000, 0.0001448700000000 ] - [ 0.0000231000000000, 0.0000930000000000, 0.0001271200000000 ] - [ 0.0141285500000000, 0.0018317300000000, 0.0028194100000000 ] - [ -0.0051413400000000, -0.0022809100000000, -0.0016988200000000 ] - [ -0.0012226600000000, -0.0005148200000000, 0.0001595600000000 ] - [ -0.0002763300000000, -0.0004884200000000, 0.0001129600000000 ] - [ -0.0003681100000000, -0.0005177200000000, 0.0001255600000000 ] - [ -0.0004600200000000, -0.0004911300000000, 0.0001201900000000 ] - [ 0.0060086800000000, -0.0004162900000000, 0.0000869100000000 ] - [ -0.0003867600000000, -0.0008984800000000, 0.0003839100000000 ] - [ -0.0003968700000000, -0.0009830000000000, -0.0002728200000000 ] - [ 0.0004878500000000, -0.0004506500000000, -0.0001413800000000 ] - [ 0.0003062300000000, -0.0005573300000000, -0.0000967800000000 ] - [ 0.0003238700000000, -0.0005110100000000, -0.0001081800000000 ] - [ 0.0066393300000000, -0.0041143900000000, -0.0004924500000000 ] - [ -0.0010104000000000, 0.0008682800000000, 0.0000502300000000 ] - [ -0.0012761600000000, -0.0008403200000000, 0.0004624700000000 ] - [ -0.0001822800000000, 0.0006837400000000, 0.0000236000000000 ] - [ -0.0005015400000000, 0.0005125500000000, 0.0001366700000000 ] - [ -0.0003500200000000, 0.0008844300000000, -0.0000333500000000 ] - [ 0.0004225400000000, -0.0013369600000000, -0.0016874200000000 ] - [ -0.0000572900000000, 0.0018266800000000, 0.0010584500000000 ] - [ -0.0000910800000000, 0.0005790200000000, -0.0000830700000000 ] - [ 0.0003994600000000, 0.0008462600000000, 0.0000325200000000 ] - [ 0.0004527400000000, 0.0005045700000000, -0.0001406000000000 ] - [ 0.0002053000000000, 0.0007265800000000, -0.0000204000000000 ] - [ 0.0009114300000000, -0.0000338700000000, 0.0001364200000000 ] - [ -0.0010533600000000, 0.0001569600000000, -0.0002928300000000 ] - [ -0.0009922900000000, -0.0001857600000000, -0.0003644500000000 ] - [ 0.0000347700000000, 0.0000347600000000, -0.0000772100000000 ] - [ -0.0005844600000000, -0.0000727300000000, -0.0002109300000000 ] - [ -0.0007670000000000, 0.0001422600000000, -0.0002785800000000 ] - [ 0.0084656800000000, 0.0048249700000000, 0.0035793800000000 ] - [ -0.0014008300000000, -0.0001762900000000, -0.0003051700000000 ] - [ -0.0034470000000000, 0.0010338600000000, 0.0000876200000000 ] - [ 0.0005767200000000, 0.0001169600000000, 0.0002103900000000 ] - [ 0.0002515200000000, 0.0000493100000000, 0.0001478500000000 ] - [ 0.0005132100000000, 0.0000073000000000, 0.0002123000000000 ] - [ 0.0003512200000000, -0.0010061200000000, 0.0000664900000000 ] - [ -0.0006877000000000, -0.0008324700000000, 0.0000176500000000 ] - [ -0.0007457900000000, 0.0002467600000000, 0.0002748100000000 ] - [ -0.0002890100000000, 0.0005254700000000, 0.0003835700000000 ] - [ -0.0006896300000000, -0.0002600400000000, 0.0002536100000000 ] - [ -0.0002871500000000, -0.0009941500000000, -0.0000606200000000 ] - [ 0.0005926400000000, 0.0001301300000000, -0.0005186400000000 ] - [ 0.0004563200000000, -0.0010410600000000, 0.0001722800000000 ] - [ 0.0000596800000000, -0.0005955100000000, -0.0000912100000000 ] - [ 0.0004853500000000, -0.0009917000000000, 0.0001530900000000 ] - [ 0.0004689200000000, -0.0001183200000000, -0.0002674700000000 ] - [ 0.0000859900000000, -0.0007147600000000, -0.0000120500000000 ] - [ 0.0006363400000000, 0.0042730500000000, -0.0012783300000000 ] - [ -0.0011141900000000, -0.0012583700000000, 0.0010779900000000 ] - [ -0.0011835400000000, 0.0004625700000000, 0.0001718000000000 ] - [ -0.0001704100000000, 0.0006456300000000, 0.0000871900000000 ] - [ -0.0003822200000000, 0.0008836700000000, -0.0000164400000000 ] - [ -0.0004922700000000, 0.0005617500000000, 0.0000835100000000 ] - [ 0.0017580800000000, 0.0000248200000000, -0.0002330100000000 ] - [ -0.0000595500000000, 0.0004630000000000, 0.0000065100000000 ] - [ -0.0001854500000000, 0.0011533700000000, -0.0000232500000000 ] - [ 0.0005297600000000, 0.0007160300000000, 0.0000149900000000 ] - [ 0.0002318400000000, 0.0008017400000000, -0.0000035000000000 ] - [ 0.0003011800000000, 0.0005277900000000, -0.0001078200000000 ]- atom: 1 displacement: [ -0.0099959935686070, 0.0000000000000000, -0.0002830416512950 ] forces: - [ 0.0463512300000000, -0.0008397600000000, 0.0063305400000000 ] - [ -0.0015843400000000, 0.0002201000000000, 0.0007687000000000 ] - [ -0.0015725700000000, -0.0003986400000000, 0.0003050600000000 ] - [ -0.0002106400000000, 0.0002811700000000, 0.0006518600000000 ] - [ -0.0003454900000000, 0.0001990000000000, 0.0006297500000000 ] - [ -0.0003446400000000, 0.0003142100000000, 0.0006353200000000 ] - [ -0.0024106600000000, -0.0036715800000000, 0.0002483000000000 ] - [ -0.0024016400000000, 0.0028961500000000, 0.0008063000000000 ] - [ -0.0007308300000000, -0.0002646800000000, 0.0005938700000000 ] - [ -0.0002122500000000, -0.0001123300000000, 0.0006775100000000 ] - [ -0.0002113500000000, -0.0002103900000000, 0.0006333900000000 ] - [ -0.0004320200000000, -0.0001273400000000, 0.0006152300000000 ] - [ -0.0022266200000000, -0.0001788500000000, -0.0066902700000000 ] - [ -0.0010474700000000, 0.0002925000000000, 0.0008865900000000 ] - [ -0.0002919600000000, 0.0002096400000000, -0.0007237700000000 ] - [ 0.0003795500000000, 0.0003091700000000, -0.0006230000000000 ] - [ 0.0002862000000000, 0.0002131900000000, -0.0006280300000000 ] - [ 0.0002239400000000, 0.0002745600000000, -0.0006506600000000 ] - [ 0.0021376000000000, 0.0016371900000000, 0.0013898900000000 ] - [ -0.0001081600000000, -0.0001660000000000, -0.0006178900000000 ] - [ -0.0000114500000000, -0.0006586300000000, -0.0008135800000000 ] - [ 0.0004218100000000, -0.0001240900000000, -0.0006178400000000 ] - [ 0.0001791600000000, -0.0002090700000000, -0.0006386100000000 ] - [ 0.0002334800000000, -0.0001229000000000, -0.0006903700000000 ] - [ -0.0003910800000000, 0.0012459300000000, 0.0004629500000000 ] - [ -0.0000721300000000, -0.0004888300000000, 0.0007681700000000 ] - [ -0.0005556500000000, 0.0002358700000000, 0.0006073300000000 ] - [ -0.0000684600000000, 0.0001818900000000, 0.0007913900000000 ] - [ -0.0003953400000000, 0.0004350200000000, 0.0006204500000000 ] - [ -0.0005528200000000, 0.0001466300000000, 0.0006031400000000 ] - [ 0.0022426300000000, -0.0004915300000000, 0.0011248200000000 ] - [ -0.0010356500000000, -0.0003857200000000, 0.0006324400000000 ] - [ -0.0010218000000000, 0.0005110200000000, 0.0002824200000000 ] - [ -0.0001017100000000, 0.0000150700000000, 0.0007081700000000 ] - [ -0.0003555700000000, -0.0000685500000000, 0.0006404100000000 ] - [ -0.0003538000000000, -0.0003246300000000, 0.0006330100000000 ] - [ 0.0005840300000000, 0.0000711900000000, -0.0005945200000000 ] - [ 0.0000714400000000, 0.0000579600000000, -0.0006408600000000 ] - [ 0.0002080900000000, 0.0005640700000000, -0.0007066800000000 ] - [ 0.0005748300000000, 0.0002871600000000, -0.0003772500000000 ] - [ 0.0000715300000000, 0.0003649900000000, -0.0006471800000000 ] - [ 0.0002073800000000, 0.0001086000000000, -0.0007069000000000 ] - [ 0.0007804100000000, 0.0005630300000000, -0.0015375800000000 ] - [ 0.0001597400000000, -0.0006043800000000, -0.0001273800000000 ] - [ -0.0002116900000000, -0.0002425300000000, -0.0007304500000000 ] - [ 0.0004245000000000, -0.0002981600000000, -0.0006073200000000 ] - [ 0.0002326000000000, -0.0000007800000000, -0.0006473700000000 ] - [ 0.0001960700000000, -0.0002308200000000, -0.0006577300000000 ] - [ -0.0071654500000000, 0.0101818300000000, 0.0058372900000000 ] - [ -0.0073226500000000, -0.0077481000000000, -0.0050455500000000 ] - [ -0.0023766900000000, -0.0000400700000000, 0.0002944500000000 ] - [ -0.0000275500000000, 0.0000980200000000, 0.0002801900000000 ] - [ -0.0001467600000000, 0.0002574400000000, 0.0002332500000000 ] - [ -0.0004341500000000, 0.0000527100000000, 0.0002993100000000 ] - [ 0.0015999600000000, -0.0012811800000000, -0.0005320000000000 ] - [ -0.0001135900000000, 0.0009364300000000, -0.0002430400000000 ] - [ -0.0005967500000000, -0.0001207400000000, -0.0002991400000000 ] - [ 0.0006617300000000, 0.0005335100000000, -0.0002728200000000 ] - [ 0.0002030600000000, -0.0003249300000000, -0.0002512400000000 ] - [ -0.0002610800000000, 0.0001217000000000, -0.0002639700000000 ] - [ 0.0028050000000000, 0.0007492400000000, -0.0003254200000000 ] - [ -0.0011890700000000, 0.0005041100000000, 0.0002084100000000 ] - [ -0.0007611200000000, -0.0010988400000000, 0.0006145800000000 ] - [ 0.0006204400000000, -0.0000282700000000, 0.0002018300000000 ] - [ -0.0005369300000000, -0.0002681700000000, 0.0002104500000000 ] - [ -0.0005785700000000, 0.0006658600000000, 0.0004232400000000 ] - [ 0.0028051500000000, -0.0008504500000000, 0.0012962100000000 ] - [ -0.0010424600000000, -0.0003464000000000, -0.0004415400000000 ] - [ -0.0014617000000000, 0.0002248400000000, -0.0000907900000000 ] - [ 0.0004127100000000, 0.0001791900000000, -0.0003006900000000 ] - [ -0.0000201000000000, 0.0001422400000000, -0.0002545200000000 ] - [ 0.0001689800000000, 0.0000009100000000, -0.0003092700000000 ] - [ 0.0001792100000000, -0.0002784600000000, 0.0003457200000000 ] - [ -0.0018205400000000, 0.0002102300000000, -0.0010670300000000 ] - [ 0.0008111200000000, 0.0000438900000000, 0.0001222700000000 ] - [ -0.0005279500000000, -0.0000019800000000, -0.0001964800000000 ] - [ -0.0005731300000000, -0.0000834900000000, -0.0002178200000000 ] - [ -0.0002615100000000, -0.0000251100000000, -0.0001462800000000 ] - [ -0.0020301800000000, 0.0009922600000000, -0.0002129200000000 ] - [ 0.0011019200000000, -0.0005275900000000, 0.0004091300000000 ] - [ 0.0012120600000000, 0.0001386400000000, 0.0002704300000000 ] - [ -0.0001060600000000, -0.0003314600000000, 0.0000534600000000 ] - [ 0.0005390200000000, 0.0002082000000000, 0.0002410300000000 ] - [ 0.0008770600000000, -0.0000953200000000, 0.0002579500000000 ] - [ -0.0162815700000000, -0.0029447800000000, -0.0025530200000000 ] - [ 0.0043599100000000, 0.0010301700000000, 0.0018041900000000 ] - [ 0.0004996500000000, -0.0006790000000000, 0.0000050300000000 ] - [ -0.0004409500000000, -0.0007127100000000, 0.0000433300000000 ] - [ -0.0003532300000000, -0.0006845100000000, 0.0000336400000000 ] - [ -0.0002584000000000, -0.0007067100000000, 0.0000411300000000 ] - [ -0.0053022600000000, -0.0007741600000000, -0.0001739500000000 ] - [ 0.0011032000000000, -0.0003072700000000, -0.0005352600000000 ] - [ 0.0011186200000000, -0.0002124700000000, 0.0001080900000000 ] - [ 0.0002305500000000, -0.0007529700000000, -0.0000156800000000 ] - [ 0.0004130400000000, -0.0006351400000000, -0.0000683900000000 ] - [ 0.0003998100000000, -0.0006842700000000, -0.0000521000000000 ] - [ -0.0074156700000000, 0.0052644000000000, 0.0006721600000000 ] - [ 0.0002876900000000, 0.0003326500000000, 0.0001105800000000 ] - [ 0.0005624300000000, 0.0020360700000000, -0.0003016900000000 ] - [ -0.0005338700000000, 0.0005199100000000, 0.0001328900000000 ] - [ -0.0002199300000000, 0.0006812600000000, 0.0000259500000000 ] - [ -0.0003703500000000, 0.0003147500000000, 0.0001955600000000 ] - [ 0.0002945500000000, 0.0025503200000000, 0.0015447500000000 ] - [ 0.0007796200000000, -0.0006176100000000, -0.0012065500000000 ] - [ 0.0008108400000000, 0.0006185200000000, -0.0000791200000000 ] - [ 0.0003217000000000, 0.0003551100000000, -0.0001947500000000 ] - [ 0.0002652600000000, 0.0007004800000000, -0.0000162800000000 ] - [ 0.0005157000000000, 0.0004681800000000, -0.0001429600000000 ] - [ -0.0018257700000000, 0.0000316300000000, -0.0005216700000000 ] - [ 0.0001563300000000, -0.0001545100000000, -0.0000870100000000 ] - [ 0.0001036300000000, 0.0001825700000000, -0.0000205600000000 ] - [ -0.0009404100000000, -0.0000312200000000, -0.0003036300000000 ] - [ -0.0003104900000000, 0.0000721200000000, -0.0001776900000000 ] - [ -0.0001462900000000, -0.0001426800000000, -0.0001066900000000 ] - [ -0.0075476100000000, -0.0046769000000000, -0.0030884600000000 ] - [ 0.0022993900000000, 0.0001737500000000, 0.0006901600000000 ] - [ 0.0043564200000000, -0.0010200700000000, 0.0003077000000000 ] - [ 0.0003212700000000, -0.0001162900000000, 0.0001706500000000 ] - [ 0.0006487400000000, -0.0000448800000000, 0.0002342000000000 ] - [ 0.0003932000000000, -0.0000056900000000, 0.0001694800000000 ] - [ -0.0010696100000000, -0.0001884200000000, 0.0000959100000000 ] - [ -0.0000297300000000, -0.0003641900000000, 0.0001446200000000 ] - [ 0.0000279600000000, -0.0014392100000000, -0.0001105700000000 ] - [ -0.0004293600000000, -0.0017462800000000, -0.0002310400000000 ] - [ -0.0000302300000000, -0.0009412700000000, -0.0000927400000000 ] - [ -0.0004286700000000, -0.0002084200000000, 0.0002153200000000 ] - [ 0.0001301600000000, -0.0013258300000000, 0.0003589200000000 ] - [ 0.0002670800000000, -0.0001494800000000, -0.0003332100000000 ] - [ 0.0006603500000000, -0.0005995100000000, -0.0000684800000000 ] - [ 0.0002265600000000, -0.0002169100000000, -0.0003041300000000 ] - [ 0.0002547000000000, -0.0010762700000000, 0.0001027900000000 ] - [ 0.0006365900000000, -0.0004891600000000, -0.0001468600000000 ] - [ -0.0013608800000000, -0.0030933700000000, 0.0014419700000000 ] - [ 0.0003998100000000, 0.0024466600000000, -0.0009163200000000 ] - [ 0.0004587800000000, 0.0007293400000000, -0.0000053800000000 ] - [ -0.0005472500000000, 0.0005559400000000, 0.0000699200000000 ] - [ -0.0003317400000000, 0.0003146100000000, 0.0001748900000000 ] - [ -0.0002247300000000, 0.0006418100000000, 0.0000693700000000 ] - [ -0.0010424200000000, 0.0011881000000000, 0.0000805100000000 ] - [ 0.0007845300000000, 0.0007288800000000, -0.0001699500000000 ] - [ 0.0009111500000000, 0.0000358900000000, -0.0001449700000000 ] - [ 0.0001884900000000, 0.0004807900000000, -0.0001748100000000 ] - [ 0.0004883600000000, 0.0004008200000000, -0.0001518200000000 ] - [ 0.0004134900000000, 0.0006816500000000, -0.0000484000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004034400000000, -0.0574769600000000, -0.0108854300000000 ] - [ 0.0002488100000000, -0.0005295000000000, 0.0005867200000000 ] - [ -0.0003723900000000, -0.0005437900000000, 0.0005939200000000 ] - [ -0.0004367100000000, 0.0005945400000000, 0.0006122800000000 ] - [ -0.0004516200000000, 0.0004495100000000, 0.0006440800000000 ] - [ -0.0003919700000000, 0.0004264700000000, 0.0006799800000000 ] - [ 0.0027676200000000, -0.0010561200000000, 0.0009136600000000 ] - [ -0.0037939100000000, -0.0010559400000000, 0.0008217800000000 ] - [ -0.0003918800000000, -0.0006030600000000, 0.0006460900000000 ] - [ -0.0003925500000000, 0.0003636600000000, 0.0006525400000000 ] - [ -0.0002606100000000, 0.0003235500000000, 0.0006985600000000 ] - [ -0.0002711200000000, 0.0001681900000000, 0.0006530300000000 ] - [ -0.0000171900000000, -0.0026913100000000, -0.0007444200000000 ] - [ 0.0004368900000000, -0.0012164600000000, -0.0010183700000000 ] - [ 0.0003444600000000, -0.0003700500000000, -0.0006401900000000 ] - [ 0.0004819500000000, 0.0004788300000000, -0.0006077000000000 ] - [ 0.0003425900000000, 0.0005428000000000, -0.0006271500000000 ] - [ 0.0004416200000000, 0.0003752500000000, -0.0006121000000000 ] - [ -0.0016517000000000, 0.0012279100000000, 0.0054180500000000 ] - [ 0.0003102600000000, -0.0007684500000000, -0.0006473300000000 ] - [ 0.0007994500000000, -0.0006593700000000, -0.0006333200000000 ] - [ 0.0002844900000000, 0.0003617800000000, -0.0007201800000000 ] - [ 0.0003620300000000, 0.0002113700000000, -0.0006805800000000 ] - [ 0.0003094400000000, 0.0002181200000000, -0.0006956100000000 ] - [ -0.0005790600000000, 0.0005783500000000, 0.0005541900000000 ] - [ -0.0003191900000000, 0.0009455200000000, 0.0005285100000000 ] - [ -0.0002675600000000, 0.0002458200000000, 0.0006201200000000 ] - [ 0.0003276400000000, 0.0009392400000000, 0.0010422600000000 ] - [ -0.0013752700000000, 0.0005919800000000, 0.0007065700000000 ] - [ -0.0003858300000000, 0.0002007100000000, 0.0006724500000000 ] - [ -0.0006208500000000, 0.0050451500000000, 0.0007981200000000 ] - [ 0.0003926100000000, -0.0000292000000000, 0.0005394600000000 ] - [ -0.0005181100000000, -0.0000087900000000, 0.0005779100000000 ] - [ -0.0001338000000000, 0.0009416100000000, 0.0008340500000000 ] - [ -0.0004623200000000, 0.0000582400000000, 0.0006627700000000 ] - [ -0.0002198400000000, 0.0000750200000000, 0.0006665500000000 ] - [ 0.0004103700000000, 0.0007873000000000, -0.0006612400000000 ] - [ 0.0004991700000000, 0.0003081000000000, -0.0006501000000000 ] - [ 0.0002349000000000, 0.0002475400000000, -0.0006576400000000 ] - [ 0.0001672300000000, 0.0007952500000000, 0.0000670800000000 ] - [ 0.0001909800000000, 0.0002764100000000, -0.0006551500000000 ] - [ 0.0007021700000000, 0.0002399600000000, -0.0005968500000000 ] - [ -0.0004054500000000, 0.0003292000000000, -0.0011126900000000 ] - [ 0.0007372100000000, 0.0002047700000000, -0.0010844200000000 ] - [ 0.0003631200000000, -0.0000497000000000, -0.0006267300000000 ] - [ 0.0004420700000000, 0.0003358400000000, -0.0005909500000000 ] - [ 0.0001537300000000, 0.0001989900000000, -0.0006506400000000 ] - [ 0.0003884400000000, -0.0000035800000000, -0.0006505000000000 ] - [ -0.0069695600000000, -0.0007087000000000, 0.0024509900000000 ] - [ 0.0079403400000000, -0.0012751100000000, -0.0000804700000000 ] - [ 0.0003742200000000, -0.0005070700000000, 0.0001366500000000 ] - [ 0.0001379800000000, 0.0011365800000000, 0.0001790300000000 ] - [ -0.0005453400000000, 0.0010564700000000, 0.0002354600000000 ] - [ -0.0001716100000000, 0.0005057200000000, 0.0003052100000000 ] - [ 0.0017477100000000, -0.0000913600000000, -0.0004184200000000 ] - [ -0.0009333100000000, -0.0003567700000000, -0.0007460200000000 ] - [ 0.0003981600000000, -0.0004735900000000, -0.0004581900000000 ] - [ -0.0001154500000000, 0.0008347300000000, -0.0002484800000000 ] - [ 0.0004038600000000, 0.0009920200000000, -0.0002477700000000 ] - [ 0.0002335100000000, 0.0004731200000000, -0.0002261000000000 ] - [ 0.0023052200000000, 0.0091081900000000, -0.0027559000000000 ] - [ -0.0013779400000000, -0.0007601700000000, 0.0005846800000000 ] - [ 0.0009318300000000, -0.0005487400000000, 0.0004758000000000 ] - [ -0.0004381400000000, 0.0013855000000000, 0.0004313900000000 ] - [ 0.0001398400000000, 0.0007678800000000, 0.0002823700000000 ] - [ -0.0003004900000000, 0.0005979900000000, 0.0002678100000000 ] - [ 0.0003739500000000, -0.0005493700000000, -0.0038584600000000 ] - [ 0.0007732400000000, -0.0006665100000000, 0.0003131700000000 ] - [ -0.0003786000000000, -0.0006631700000000, -0.0000552200000000 ] - [ 0.0000404400000000, 0.0011368900000000, -0.0003129300000000 ] - [ 0.0000539800000000, 0.0005990500000000, -0.0003113200000000 ] - [ 0.0004245800000000, 0.0006047600000000, -0.0003057700000000 ] - [ 0.0004425400000000, 0.0003693200000000, 0.0000389200000000 ] - [ -0.0006450700000000, 0.0003457600000000, 0.0000998900000000 ] - [ -0.0009243000000000, 0.0001876200000000, -0.0004584700000000 ] - [ -0.0006472000000000, -0.0003065800000000, -0.0002392500000000 ] - [ -0.0002410100000000, -0.0003375600000000, -0.0001404200000000 ] - [ -0.0003950400000000, -0.0001876300000000, -0.0001676200000000 ] - [ -0.0031673800000000, -0.0010566700000000, 0.0000376900000000 ] - [ 0.0024908500000000, 0.0000500400000000, 0.0006486000000000 ] - [ 0.0000834400000000, 0.0001669100000000, 0.0000054500000000 ] - [ 0.0007013800000000, -0.0003863200000000, 0.0002255800000000 ] - [ 0.0001866800000000, -0.0004413500000000, 0.0001255100000000 ] - [ 0.0004434000000000, -0.0001857100000000, 0.0002001600000000 ] - [ 0.0003500700000000, 0.0065381800000000, 0.0006430500000000 ] - [ -0.0011401700000000, 0.0036944400000000, 0.0019918000000000 ] - [ -0.0005110800000000, 0.0002056900000000, 0.0003808600000000 ] - [ -0.0002880200000000, -0.0013758400000000, -0.0002058900000000 ] - [ -0.0002099100000000, -0.0013669600000000, -0.0002400600000000 ] - [ -0.0003497300000000, -0.0010708200000000, -0.0000940800000000 ] - [ 0.0007388000000000, 0.0063441100000000, -0.0000499000000000 ] - [ 0.0002286400000000, 0.0003207300000000, -0.0003363500000000 ] - [ 0.0004083400000000, 0.0003128900000000, -0.0003890100000000 ] - [ 0.0002793300000000, -0.0014195900000000, 0.0002583400000000 ] - [ 0.0003385200000000, -0.0011395300000000, 0.0001119600000000 ] - [ 0.0002605800000000, -0.0011334600000000, 0.0001240400000000 ] - [ -0.0051131700000000, 0.0181237000000000, 0.0011214300000000 ] - [ -0.0001969500000000, 0.0017772800000000, -0.0003872500000000 ] - [ -0.0007471700000000, 0.0015180900000000, -0.0001599800000000 ] - [ -0.0004488800000000, -0.0003137500000000, 0.0004331800000000 ] - [ -0.0004666100000000, 0.0000006900000000, 0.0003205800000000 ] - [ -0.0003801700000000, 0.0000620900000000, 0.0002688700000000 ] - [ -0.0006573900000000, 0.0016090800000000, -0.0005260300000000 ] - [ 0.0013779600000000, 0.0016263800000000, -0.0005444500000000 ] - [ 0.0002789500000000, 0.0013141100000000, 0.0001633500000000 ] - [ 0.0004813600000000, -0.0000884600000000, -0.0003537200000000 ] - [ 0.0004251200000000, -0.0001377000000000, -0.0003626700000000 ] - [ 0.0003608600000000, 0.0001531400000000, -0.0002362000000000 ] - [ -0.0013083300000000, -0.0000282500000000, -0.0006849000000000 ] - [ 0.0004518800000000, 0.0001614400000000, 0.0001289700000000 ] - [ -0.0009223100000000, 0.0001511800000000, -0.0002313800000000 ] - [ -0.0002441000000000, -0.0004197700000000, -0.0001406700000000 ] - [ -0.0006559900000000, -0.0002523300000000, -0.0002479600000000 ] - [ -0.0003931800000000, -0.0001816800000000, -0.0001986000000000 ] - [ 0.0036224200000000, 0.0176241600000000, 0.0065997700000000 ] - [ -0.0005596900000000, 0.0002287800000000, 0.0000987100000000 ] - [ 0.0009582200000000, 0.0004646100000000, 0.0007243900000000 ] - [ 0.0006295000000000, -0.0005661900000000, 0.0002516400000000 ] - [ 0.0005209800000000, -0.0002165000000000, 0.0002007300000000 ] - [ 0.0001657800000000, -0.0002607000000000, 0.0001450800000000 ] - [ -0.0001219000000000, -0.0020569400000000, -0.0003363400000000 ] - [ -0.0005816900000000, -0.0010790400000000, -0.0000752900000000 ] - [ -0.0001138500000000, -0.0010328800000000, -0.0000661200000000 ] - [ 0.0003492300000000, -0.0041651000000000, -0.0015759500000000 ] - [ -0.0000632600000000, -0.0007763700000000, -0.0000223900000000 ] - [ -0.0009418900000000, -0.0006020400000000, 0.0001014300000000 ] - [ 0.0005408700000000, -0.0011495800000000, 0.0001971600000000 ] - [ 0.0000867200000000, -0.0014781400000000, 0.0003710500000000 ] - [ 0.0002464500000000, -0.0008794500000000, 0.0000441000000000 ] - [ -0.0001320300000000, -0.0011788300000000, -0.0000499000000000 ] - [ 0.0009448900000000, -0.0007101900000000, -0.0003235400000000 ] - [ 0.0003888200000000, -0.0006058200000000, -0.0001094900000000 ] - [ 0.0017463700000000, 0.0004417000000000, -0.0007175300000000 ] - [ -0.0020207300000000, -0.0010681800000000, 0.0013160200000000 ] - [ -0.0004190600000000, 0.0005739800000000, 0.0000797900000000 ] - [ -0.0007759600000000, -0.0004795100000000, 0.0003648400000000 ] - [ -0.0000776400000000, -0.0001156300000000, 0.0003137900000000 ] - [ -0.0004356600000000, 0.0002973500000000, 0.0001965900000000 ] - [ 0.0002445300000000, -0.0003747800000000, 0.0019766900000000 ] - [ -0.0000614600000000, 0.0006897000000000, 0.0000847500000000 ] - [ 0.0004522000000000, 0.0006189500000000, -0.0000038200000000 ] - [ 0.0004536900000000, -0.0004147000000000, -0.0006168300000000 ] - [ 0.0005537700000000, 0.0001918400000000, -0.0002516900000000 ] - [ 0.0002526600000000, 0.0002535200000000, -0.0002299700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020338300000000, 0.0586708900000000, 0.0113320400000000 ] - [ -0.0009063000000000, 0.0008486100000000, 0.0006926800000000 ] - [ -0.0002804900000000, 0.0008490200000000, 0.0006857100000000 ] - [ -0.0002190500000000, -0.0002947300000000, 0.0006806300000000 ] - [ -0.0001887500000000, -0.0001352500000000, 0.0006578300000000 ] - [ -0.0002954300000000, -0.0001314300000000, 0.0006392800000000 ] - [ -0.0034333100000000, 0.0007326400000000, 0.0003793500000000 ] - [ 0.0031712700000000, 0.0007285200000000, 0.0004411900000000 ] - [ -0.0002400200000000, 0.0002863800000000, 0.0006267000000000 ] - [ -0.0002873300000000, -0.0006495700000000, 0.0006219700000000 ] - [ -0.0003896100000000, -0.0006492400000000, 0.0005947800000000 ] - [ -0.0003756200000000, -0.0004911100000000, 0.0006223700000000 ] - [ 0.0006948400000000, 0.0030062100000000, -0.0005189000000000 ] - [ 0.0001963800000000, 0.0015493400000000, -0.0002428300000000 ] - [ 0.0002954100000000, 0.0006906500000000, -0.0006335600000000 ] - [ 0.0001946700000000, -0.0001921200000000, -0.0006925100000000 ] - [ 0.0002908700000000, -0.0002258000000000, -0.0006697300000000 ] - [ 0.0002269700000000, -0.0000746900000000, -0.0006527100000000 ] - [ 0.0023159500000000, -0.0015615000000000, -0.0067440100000000 ] - [ 0.0003347900000000, 0.0004669300000000, -0.0006319600000000 ] - [ -0.0001599000000000, 0.0003445200000000, -0.0006619700000000 ] - [ 0.0003734700000000, -0.0006708700000000, -0.0005649800000000 ] - [ 0.0002880700000000, -0.0005417700000000, -0.0006162500000000 ] - [ 0.0003753600000000, -0.0005157900000000, -0.0006122000000000 ] - [ -0.0000694700000000, -0.0002658900000000, 0.0007349000000000 ] - [ -0.0003249100000000, -0.0006242500000000, 0.0007561800000000 ] - [ -0.0003573200000000, 0.0000997500000000, 0.0006548500000000 ] - [ -0.0009713000000000, -0.0006181200000000, 0.0002399800000000 ] - [ 0.0007463500000000, -0.0002644000000000, 0.0005812100000000 ] - [ -0.0002621600000000, 0.0001007400000000, 0.0006034200000000 ] - [ -0.0000140800000000, -0.0052862200000000, 0.0004858500000000 ] - [ -0.0010194800000000, -0.0003203900000000, 0.0007332000000000 ] - [ -0.0001192100000000, -0.0003223300000000, 0.0006955600000000 ] - [ -0.0005096700000000, -0.0012671300000000, 0.0004509700000000 ] - [ -0.0001820800000000, -0.0003833200000000, 0.0006201400000000 ] - [ -0.0004339400000000, -0.0003856000000000, 0.0005984100000000 ] - [ 0.0002189300000000, -0.0004567100000000, -0.0006085200000000 ] - [ 0.0001382800000000, 0.0000331300000000, -0.0006279100000000 ] - [ 0.0003961800000000, 0.0000855100000000, -0.0006137900000000 ] - [ 0.0004526300000000, -0.0004568500000000, -0.0013499700000000 ] - [ 0.0004445900000000, 0.0000342300000000, -0.0006135100000000 ] - [ -0.0000612900000000, 0.0000892600000000, -0.0006869400000000 ] - [ 0.0010450200000000, -0.0006508300000000, -0.0001728800000000 ] - [ -0.0001172300000000, -0.0005518500000000, -0.0001765500000000 ] - [ 0.0002590500000000, -0.0002934600000000, -0.0006554600000000 ] - [ 0.0002052800000000, -0.0006447100000000, -0.0006901700000000 ] - [ 0.0005024300000000, -0.0005164800000000, -0.0006408800000000 ] - [ 0.0002695000000000, -0.0003077100000000, -0.0006368200000000 ] - [ 0.0065876300000000, 0.0006478500000000, -0.0018832900000000 ] - [ -0.0083103500000000, 0.0012739200000000, 0.0006409100000000 ] - [ -0.0007276500000000, 0.0005074100000000, 0.0004062200000000 ] - [ -0.0004968500000000, -0.0011411700000000, 0.0003641600000000 ] - [ 0.0001932200000000, -0.0010587200000000, 0.0003064100000000 ] - [ -0.0001840900000000, -0.0005069000000000, 0.0002368600000000 ] - [ -0.0013912700000000, 0.0000940600000000, -0.0001333300000000 ] - [ 0.0012899700000000, 0.0003569300000000, 0.0002031900000000 ] - [ -0.0000502300000000, 0.0004776000000000, -0.0000858200000000 ] - [ 0.0004690600000000, -0.0008381100000000, -0.0002926300000000 ] - [ -0.0000506900000000, -0.0009941400000000, -0.0002920800000000 ] - [ 0.0001268000000000, -0.0004753000000000, -0.0003168400000000 ] - [ -0.0026205000000000, -0.0091995600000000, 0.0033163000000000 ] - [ 0.0010277600000000, 0.0007642300000000, -0.0000424200000000 ] - [ -0.0012967200000000, 0.0005523300000000, 0.0000697900000000 ] - [ 0.0000796600000000, -0.0013871200000000, 0.0001112600000000 ] - [ -0.0004908800000000, -0.0007723100000000, 0.0002582700000000 ] - [ -0.0000535200000000, -0.0006016500000000, 0.0002747500000000 ] - [ -0.0000106500000000, 0.0004985100000000, 0.0032736900000000 ] - [ -0.0004193800000000, 0.0006693500000000, -0.0008576100000000 ] - [ 0.0007371200000000, 0.0006636900000000, -0.0004867700000000 ] - [ 0.0003156300000000, -0.0011398400000000, -0.0002296300000000 ] - [ 0.0003035300000000, -0.0006038400000000, -0.0002305000000000 ] - [ -0.0000732500000000, -0.0006098000000000, -0.0002354200000000 ] - [ -0.0013145400000000, -0.0003718600000000, -0.0004244600000000 ] - [ -0.0002167100000000, -0.0003415800000000, -0.0004833500000000 ] - [ 0.0000556300000000, -0.0001860800000000, 0.0000708300000000 ] - [ -0.0002218900000000, 0.0003152600000000, -0.0001460700000000 ] - [ -0.0006272000000000, 0.0003362400000000, -0.0002434400000000 ] - [ -0.0004766300000000, 0.0001808000000000, -0.0002173100000000 ] - [ 0.0040443200000000, 0.0010687300000000, 0.0003398300000000 ] - [ -0.0016308000000000, -0.0000505400000000, -0.0002658500000000 ] - [ 0.0007891000000000, -0.0001733200000000, 0.0003809200000000 ] - [ 0.0001720300000000, 0.0003893400000000, 0.0001620000000000 ] - [ 0.0006810500000000, 0.0004313000000000, 0.0002599100000000 ] - [ 0.0004259100000000, 0.0001847400000000, 0.0001850800000000 ] - [ -0.0009894500000000, -0.0077408600000000, -0.0004746000000000 ] - [ 0.0004320900000000, -0.0048937600000000, -0.0018307200000000 ] - [ -0.0002048900000000, -0.0014024900000000, -0.0002180200000000 ] - [ -0.0004245700000000, 0.0001811600000000, 0.0003700000000000 ] - [ -0.0005039400000000, 0.0001728700000000, 0.0003977500000000 ] - [ -0.0003727800000000, -0.0001262200000000, 0.0002539200000000 ] - [ -0.0000197500000000, -0.0075364400000000, -0.0000513100000000 ] - [ 0.0004901900000000, -0.0015234200000000, 0.0001725700000000 ] - [ 0.0003104500000000, -0.0015131200000000, 0.0002263400000000 ] - [ 0.0004428700000000, 0.0002234600000000, -0.0004193100000000 ] - [ 0.0003773500000000, -0.0000576800000000, -0.0002722200000000 ] - [ 0.0004519500000000, -0.0000569600000000, -0.0002895900000000 ] - [ 0.0048162300000000, -0.0183161100000000, -0.0007869400000000 ] - [ -0.0005193100000000, -0.0005876100000000, 0.0005478200000000 ] - [ 0.0000336500000000, -0.0003256900000000, 0.0003204800000000 ] - [ -0.0002711900000000, 0.0015118500000000, -0.0002724400000000 ] - [ -0.0002464900000000, 0.0011982900000000, -0.0001623900000000 ] - [ -0.0003360700000000, 0.0011314300000000, -0.0001058100000000 ] - [ 0.0013803600000000, -0.0004104300000000, 0.0003726900000000 ] - [ -0.0006670600000000, -0.0004365700000000, 0.0003851400000000 ] - [ 0.0004322900000000, -0.0001233500000000, -0.0003274400000000 ] - [ 0.0002387500000000, 0.0012816400000000, 0.0001906200000000 ] - [ 0.0002912100000000, 0.0013368000000000, 0.0001991700000000 ] - [ 0.0003544000000000, 0.0010492300000000, 0.0000771300000000 ] - [ 0.0004398000000000, 0.0000354000000000, 0.0003022800000000 ] - [ -0.0013170300000000, -0.0001642600000000, -0.0005097300000000 ] - [ 0.0000588100000000, -0.0001499500000000, -0.0001555800000000 ] - [ -0.0006250300000000, 0.0004181400000000, -0.0002433300000000 ] - [ -0.0002153700000000, 0.0002541100000000, -0.0001408300000000 ] - [ -0.0004801400000000, 0.0001820300000000, -0.0001915500000000 ] - [ -0.0023087000000000, -0.0168960100000000, -0.0056483000000000 ] - [ 0.0014329500000000, -0.0002264500000000, 0.0002902300000000 ] - [ -0.0000988800000000, -0.0004527400000000, -0.0003387600000000 ] - [ 0.0002342200000000, 0.0005685300000000, 0.0001316700000000 ] - [ 0.0003497400000000, 0.0002139600000000, 0.0001860000000000 ] - [ 0.0007067000000000, 0.0002679200000000, 0.0002415300000000 ] - [ -0.0005891100000000, 0.0008551300000000, 0.0004935700000000 ] - [ -0.0001337600000000, -0.0001176800000000, 0.0002384300000000 ] - [ -0.0006057800000000, -0.0001658000000000, 0.0002310200000000 ] - [ -0.0010705800000000, 0.0029521200000000, 0.0017472100000000 ] - [ -0.0006511400000000, -0.0004199300000000, 0.0001794000000000 ] - [ 0.0002277400000000, -0.0006032300000000, 0.0000596500000000 ] - [ 0.0001791000000000, -0.0000461700000000, -0.0003620300000000 ] - [ 0.0006251300000000, 0.0002805400000000, -0.0005283800000000 ] - [ 0.0004718800000000, -0.0003196300000000, -0.0002041000000000 ] - [ 0.0008516600000000, -0.0000261700000000, -0.0001091600000000 ] - [ -0.0002282500000000, -0.0004890200000000, 0.0001651300000000 ] - [ 0.0003206500000000, -0.0005899300000000, -0.0000496300000000 ] - [ -0.0024357100000000, 0.0007541900000000, 0.0008585700000000 ] - [ 0.0013057000000000, 0.0022750300000000, -0.0011600000000000 ] - [ -0.0002959300000000, 0.0006261300000000, 0.0000795800000000 ] - [ 0.0000633800000000, 0.0016799800000000, -0.0002084700000000 ] - [ -0.0006420100000000, 0.0013137800000000, -0.0001548700000000 ] - [ -0.0002777200000000, 0.0008998200000000, -0.0000338300000000 ] - [ 0.0004668200000000, 0.0015771400000000, -0.0020948300000000 ] - [ 0.0007779900000000, 0.0005088500000000, -0.0002458000000000 ] - [ 0.0002616300000000, 0.0005788400000000, -0.0001550600000000 ] - [ 0.0002574800000000, 0.0016115100000000, 0.0004595900000000 ] - [ 0.0001622000000000, 0.0010083900000000, 0.0000892400000000 ] - [ 0.0004661700000000, 0.0009427900000000, 0.0000705700000000 ]- atom: 1 displacement: [ -0.0011198651297129, 0.0000000000000000, 0.0099370972668709 ] forces: - [ 0.0001090500000000, -0.0111753800000000, -0.0405884400000000 ] - [ -0.0001135900000000, 0.0001440600000000, 0.0005394600000000 ] - [ -0.0005657400000000, 0.0000701200000000, 0.0004875500000000 ] - [ -0.0003028600000000, 0.0001519900000000, 0.0006316200000000 ] - [ -0.0003019600000000, 0.0001833000000000, 0.0006357700000000 ] - [ -0.0003012600000000, 0.0001769500000000, 0.0006379200000000 ] - [ -0.0006686600000000, -0.0007697200000000, -0.0004596900000000 ] - [ -0.0001284400000000, -0.0000923900000000, -0.0003948200000000 ] - [ -0.0003062500000000, -0.0002074000000000, 0.0006026000000000 ] - [ -0.0002910700000000, -0.0002149700000000, 0.0006073500000000 ] - [ -0.0003272700000000, -0.0002044900000000, 0.0006044400000000 ] - [ -0.0002927500000000, -0.0001956500000000, 0.0006308900000000 ] - [ 0.0059326200000000, 0.0002505300000000, 0.0009672300000000 ] - [ -0.0013611900000000, 0.0005901200000000, -0.0010279700000000 ] - [ 0.0003232800000000, 0.0001936000000000, -0.0006875000000000 ] - [ 0.0003027100000000, 0.0001407100000000, -0.0006522000000000 ] - [ 0.0002879300000000, 0.0001597000000000, -0.0006487900000000 ] - [ 0.0003040100000000, 0.0001839000000000, -0.0006379200000000 ] - [ -0.0015654300000000, 0.0060331600000000, 0.0018379400000000 ] - [ 0.0002383700000000, -0.0001903400000000, -0.0007053400000000 ] - [ 0.0004457000000000, -0.0002175700000000, -0.0007779700000000 ] - [ 0.0002901300000000, -0.0002507700000000, -0.0006681500000000 ] - [ 0.0002900200000000, -0.0002090200000000, -0.0006608800000000 ] - [ 0.0003432900000000, -0.0002026800000000, -0.0006488200000000 ] - [ -0.0002888300000000, 0.0003626300000000, 0.0005295500000000 ] - [ -0.0004203700000000, 0.0004998800000000, 0.0004499900000000 ] - [ -0.0002869600000000, 0.0002317200000000, 0.0006189700000000 ] - [ -0.0004000800000000, 0.0000697200000000, 0.0004521000000000 ] - [ -0.0001326300000000, 0.0001185000000000, 0.0005459200000000 ] - [ -0.0002958800000000, 0.0001659700000000, 0.0006174300000000 ] - [ -0.0004473700000000, -0.0003842500000000, -0.0012904100000000 ] - [ -0.0000241500000000, -0.0001579700000000, 0.0005161400000000 ] - [ -0.0003708900000000, -0.0000189900000000, 0.0004791400000000 ] - [ -0.0003472900000000, -0.0003456000000000, 0.0005943700000000 ] - [ -0.0002974300000000, -0.0002132500000000, 0.0006244500000000 ] - [ -0.0003075100000000, -0.0002198100000000, 0.0006222900000000 ] - [ 0.0000807800000000, -0.0005351800000000, -0.0009367000000000 ] - [ 0.0002866200000000, 0.0002004800000000, -0.0006856700000000 ] - [ 0.0003606100000000, 0.0001818100000000, -0.0006757500000000 ] - [ 0.0002950700000000, 0.0002302300000000, -0.0009127300000000 ] - [ 0.0002780400000000, 0.0002161300000000, -0.0006863500000000 ] - [ 0.0003619400000000, 0.0002066700000000, -0.0006757400000000 ] - [ 0.0012524900000000, -0.0005693400000000, -0.0009660400000000 ] - [ -0.0002030300000000, -0.0006925900000000, -0.0014156300000000 ] - [ 0.0003307500000000, -0.0001817300000000, -0.0006859400000000 ] - [ 0.0002808400000000, -0.0001448200000000, -0.0006743900000000 ] - [ 0.0003007700000000, -0.0001641000000000, -0.0006668900000000 ] - [ 0.0003025300000000, -0.0001958500000000, -0.0006444200000000 ] - [ -0.0058504500000000, 0.0047112400000000, 0.0021337100000000 ] - [ 0.0059959700000000, 0.0011206700000000, -0.0000524500000000 ] - [ -0.0001880700000000, 0.0000404000000000, 0.0003361200000000 ] - [ -0.0001965900000000, -0.0001036100000000, 0.0003100800000000 ] - [ -0.0001451000000000, -0.0000917800000000, 0.0003002700000000 ] - [ -0.0001679400000000, -0.0000278300000000, 0.0002806800000000 ] - [ 0.0004132100000000, 0.0009944900000000, 0.0003125100000000 ] - [ -0.0001252000000000, 0.0007229600000000, 0.0003119300000000 ] - [ 0.0001773400000000, -0.0000064300000000, -0.0002444300000000 ] - [ 0.0004032100000000, -0.0003016600000000, -0.0001675500000000 ] - [ -0.0000194900000000, -0.0002675000000000, -0.0001132700000000 ] - [ 0.0001996400000000, 0.0000020600000000, -0.0002549500000000 ] - [ -0.0001231600000000, -0.0047217600000000, 0.0022031600000000 ] - [ -0.0000183800000000, -0.0000854200000000, 0.0002911800000000 ] - [ -0.0003657800000000, -0.0001709700000000, 0.0004002000000000 ] - [ -0.0001972200000000, 0.0000882700000000, 0.0004568100000000 ] - [ -0.0001787800000000, 0.0001333900000000, 0.0003264300000000 ] - [ -0.0001468700000000, 0.0000676600000000, 0.0003282400000000 ] - [ -0.0036908400000000, -0.0073652000000000, 0.0067463700000000 ] - [ -0.0004402800000000, -0.0000121200000000, 0.0000286800000000 ] - [ 0.0008059900000000, 0.0000933700000000, -0.0003403500000000 ] - [ 0.0001736400000000, -0.0000485400000000, -0.0002262200000000 ] - [ 0.0001681300000000, -0.0000130300000000, -0.0002470200000000 ] - [ 0.0001905500000000, -0.0000160100000000, -0.0002521300000000 ] - [ -0.0019344100000000, 0.0003012600000000, -0.0006997500000000 ] - [ 0.0032362800000000, 0.0008209400000000, -0.0005286500000000 ] - [ -0.0004342200000000, -0.0000019900000000, -0.0002180700000000 ] - [ -0.0004441300000000, -0.0000001300000000, -0.0001940600000000 ] - [ -0.0004400100000000, 0.0000063600000000, -0.0001971300000000 ] - [ -0.0004409500000000, 0.0000090100000000, -0.0001933900000000 ] - [ 0.0007242900000000, 0.0007570800000000, 0.0001021600000000 ] - [ 0.0001589700000000, 0.0001262400000000, 0.0001487900000000 ] - [ 0.0004993500000000, 0.0000330200000000, 0.0001857500000000 ] - [ 0.0004223100000000, -0.0000436700000000, 0.0001589700000000 ] - [ 0.0004788200000000, -0.0000794800000000, 0.0001948200000000 ] - [ 0.0004140600000000, -0.0000199300000000, 0.0001787200000000 ] - [ -0.0014167200000000, -0.0015399000000000, 0.0050478900000000 ] - [ -0.0007203900000000, 0.0001118200000000, 0.0022489200000000 ] - [ -0.0003157200000000, -0.0005627100000000, 0.0001374500000000 ] - [ -0.0003670300000000, -0.0005338200000000, 0.0001122300000000 ] - [ -0.0003605200000000, -0.0005537700000000, 0.0001135100000000 ] - [ -0.0003645700000000, -0.0005774000000000, 0.0000973100000000 ] - [ 0.0005102400000000, 0.0027468100000000, 0.0084699900000000 ] - [ 0.0006238700000000, -0.0005857600000000, 0.0000185200000000 ] - [ 0.0002609000000000, -0.0007303900000000, 0.0002411100000000 ] - [ 0.0003678600000000, -0.0005237800000000, -0.0000938700000000 ] - [ 0.0003680600000000, -0.0005709400000000, -0.0000788000000000 ] - [ 0.0003505300000000, -0.0005743400000000, -0.0000775000000000 ] - [ -0.0007649400000000, 0.0010139000000000, 0.0046985100000000 ] - [ -0.0004168100000000, 0.0006447400000000, 0.0001449600000000 ] - [ -0.0001596500000000, 0.0008445500000000, 0.0001230000000000 ] - [ -0.0003464100000000, 0.0006166400000000, 0.0000717300000000 ] - [ -0.0003667100000000, 0.0005711700000000, 0.0001103300000000 ] - [ -0.0003834600000000, 0.0005873200000000, 0.0000987500000000 ] - [ -0.0005138700000000, -0.0003795600000000, -0.0002572200000000 ] - [ 0.0012595900000000, -0.0006812200000000, -0.0003308600000000 ] - [ 0.0003656000000000, 0.0006014300000000, -0.0000401100000000 ] - [ 0.0002997400000000, 0.0007257100000000, -0.0000040900000000 ] - [ 0.0003758500000000, 0.0006974400000000, -0.0000374200000000 ] - [ 0.0003572000000000, 0.0006058300000000, -0.0000688500000000 ] - [ -0.0005203800000000, -0.0007583100000000, -0.0003903900000000 ] - [ -0.0001758100000000, -0.0000999900000000, -0.0002527900000000 ] - [ -0.0005451900000000, -0.0000286500000000, -0.0002212300000000 ] - [ -0.0005370400000000, 0.0002620900000000, -0.0002367900000000 ] - [ -0.0003086800000000, 0.0000275300000000, -0.0001862100000000 ] - [ -0.0005011400000000, 0.0000113100000000, -0.0002026000000000 ] - [ 0.0020542100000000, 0.0070359200000000, 0.0080911100000000 ] - [ 0.0001626300000000, 0.0000077800000000, 0.0001512000000000 ] - [ 0.0012584200000000, -0.0001275800000000, 0.0002741600000000 ] - [ 0.0004256300000000, 0.0000639400000000, 0.0001847600000000 ] - [ 0.0004283900000000, 0.0000103500000000, 0.0001911200000000 ] - [ 0.0004530300000000, 0.0000178300000000, 0.0001914800000000 ] - [ -0.0002570800000000, -0.0007667800000000, 0.0003863300000000 ] - [ -0.0004290900000000, -0.0007427500000000, 0.0000759900000000 ] - [ -0.0003477400000000, -0.0007095000000000, 0.0001043000000000 ] - [ -0.0004342800000000, 0.0002487100000000, 0.0003282400000000 ] - [ -0.0004011700000000, -0.0005269200000000, 0.0001540700000000 ] - [ -0.0003317500000000, -0.0005093400000000, 0.0001524100000000 ] - [ 0.0001184400000000, -0.0003918200000000, -0.0000195900000000 ] - [ 0.0006526100000000, -0.0002476400000000, 0.0000248500000000 ] - [ 0.0003487100000000, -0.0006066000000000, -0.0000519700000000 ] - [ 0.0002721300000000, -0.0008593300000000, 0.0001151800000000 ] - [ 0.0002709700000000, -0.0008393700000000, 0.0000778500000000 ] - [ 0.0003648300000000, -0.0006013100000000, -0.0000562200000000 ] - [ -0.0007142700000000, -0.0002682800000000, 0.0010123600000000 ] - [ -0.0017304800000000, -0.0005100200000000, 0.0014116600000000 ] - [ -0.0003413600000000, 0.0005067200000000, 0.0001586000000000 ] - [ -0.0003053200000000, 0.0007095400000000, 0.0000930700000000 ] - [ -0.0003987000000000, 0.0006678100000000, 0.0000851300000000 ] - [ -0.0003585100000000, 0.0006231100000000, 0.0000819300000000 ] - [ -0.0002040300000000, 0.0036276500000000, 0.0008851900000000 ] - [ 0.0005694600000000, 0.0006358800000000, 0.0000679300000000 ] - [ 0.0001817400000000, 0.0007063000000000, 0.0001249400000000 ] - [ 0.0003696800000000, 0.0006269600000000, 0.0000091100000000 ] - [ 0.0003659900000000, 0.0005871200000000, -0.0000629100000000 ] - [ 0.0003399700000000, 0.0006045700000000, -0.0000618300000000 ]- atom: 1 displacement: [ 0.0011198651297129, 0.0000000000000000, -0.0099370972668709 ] forces: - [ -0.0008854500000000, 0.0111737800000000, 0.0431498900000000 ] - [ -0.0004819200000000, 0.0002463200000000, 0.0007415100000000 ] - [ -0.0000185100000000, 0.0003301200000000, 0.0007934600000000 ] - [ -0.0002927300000000, 0.0002388700000000, 0.0006469500000000 ] - [ -0.0002935400000000, 0.0002026000000000, 0.0006450500000000 ] - [ -0.0002933400000000, 0.0002163100000000, 0.0006419500000000 ] - [ 0.0000870300000000, 0.0003752900000000, 0.0017294100000000 ] - [ -0.0004788000000000, -0.0002948300000000, 0.0016712200000000 ] - [ -0.0002818600000000, -0.0001946300000000, 0.0006698300000000 ] - [ -0.0003053600000000, -0.0001809300000000, 0.0006671800000000 ] - [ -0.0002701200000000, -0.0001860300000000, 0.0006708800000000 ] - [ -0.0003008200000000, -0.0001999800000000, 0.0006415000000000 ] - [ -0.0053888300000000, 0.0001451500000000, -0.0022473500000000 ] - [ 0.0019657100000000, -0.0001999100000000, -0.0002384500000000 ] - [ 0.0002675400000000, 0.0002045600000000, -0.0005839200000000 ] - [ 0.0002960000000000, 0.0002522800000000, -0.0006230800000000 ] - [ 0.0003042000000000, 0.0002393800000000, -0.0006246400000000 ] - [ 0.0002914100000000, 0.0002122600000000, -0.0006333400000000 ] - [ 0.0021827900000000, -0.0064977900000000, -0.0031369500000000 ] - [ 0.0003588500000000, -0.0001980300000000, -0.0005695300000000 ] - [ 0.0001443400000000, -0.0001761400000000, -0.0004957200000000 ] - [ 0.0003087200000000, -0.0001347300000000, -0.0006113100000000 ] - [ 0.0003058700000000, -0.0001790900000000, -0.0006153000000000 ] - [ 0.0002474400000000, -0.0001869100000000, -0.0006289300000000 ] - [ -0.0003079700000000, 0.0000248200000000, 0.0007528900000000 ] - [ -0.0001811700000000, -0.0001200700000000, 0.0008265000000000 ] - [ -0.0003058900000000, 0.0001590200000000, 0.0006602400000000 ] - [ -0.0001917000000000, 0.0003226800000000, 0.0008285600000000 ] - [ -0.0004636400000000, 0.0002711100000000, 0.0007310100000000 ] - [ -0.0002996000000000, 0.0002252900000000, 0.0006616500000000 ] - [ -0.0001519100000000, -0.0000233800000000, 0.0025730300000000 ] - [ -0.0005701400000000, -0.0002401800000000, 0.0007560100000000 ] - [ -0.0002196600000000, -0.0003807600000000, 0.0007969600000000 ] - [ -0.0002474700000000, -0.0000451100000000, 0.0006760700000000 ] - [ -0.0002966400000000, -0.0001824800000000, 0.0006490600000000 ] - [ -0.0002855400000000, -0.0001791300000000, 0.0006528000000000 ] - [ 0.0005175600000000, 0.0009343500000000, -0.0003335700000000 ] - [ 0.0003080000000000, 0.0001957300000000, -0.0005848900000000 ] - [ 0.0002327100000000, 0.0002166000000000, -0.0005946600000000 ] - [ 0.0002989100000000, 0.0001649600000000, -0.0003576200000000 ] - [ 0.0003156300000000, 0.0001771900000000, -0.0005827600000000 ] - [ 0.0002317800000000, 0.0001910000000000, -0.0005936900000000 ] - [ -0.0006616900000000, 0.0001827400000000, -0.0003079300000000 ] - [ 0.0008007200000000, 0.0003084300000000, 0.0001452900000000 ] - [ 0.0002620300000000, -0.0002115900000000, -0.0005908500000000 ] - [ 0.0003144900000000, -0.0002448700000000, -0.0006006100000000 ] - [ 0.0002899300000000, -0.0002308500000000, -0.0006100700000000 ] - [ 0.0002881800000000, -0.0001952500000000, -0.0006347600000000 ] - [ 0.0054692800000000, -0.0047067800000000, -0.0016356800000000 ] - [ -0.0063583400000000, -0.0011163800000000, 0.0005882300000000 ] - [ -0.0001718200000000, -0.0000396700000000, 0.0002067300000000 ] - [ -0.0001693700000000, 0.0001058400000000, 0.0002371500000000 ] - [ -0.0002105900000000, 0.0000962400000000, 0.0002445200000000 ] - [ -0.0001906200000000, 0.0000272300000000, 0.0002637400000000 ] - [ -0.0000490300000000, -0.0009999700000000, -0.0008611300000000 ] - [ 0.0004848500000000, -0.0007289400000000, -0.0008544500000000 ] - [ 0.0001732000000000, 0.0000071000000000, -0.0003002000000000 ] - [ -0.0000420700000000, 0.0003019200000000, -0.0003757500000000 ] - [ 0.0003780600000000, 0.0002675900000000, -0.0004255700000000 ] - [ 0.0001639700000000, 0.0000000100000000, -0.0002830100000000 ] - [ -0.0002155600000000, 0.0047279100000000, -0.0016883500000000 ] - [ -0.0003414500000000, 0.0000861100000000, 0.0002511500000000 ] - [ -0.0000003800000000, 0.0001721600000000, 0.0001451900000000 ] - [ -0.0001664200000000, -0.0000942000000000, 0.0000856000000000 ] - [ -0.0001745500000000, -0.0001321200000000, 0.0002139800000000 ] - [ -0.0002114900000000, -0.0000710000000000, 0.0002154000000000 ] - [ 0.0040697300000000, 0.0074166600000000, -0.0073951000000000 ] - [ 0.0008058100000000, 0.0000115100000000, -0.0005734400000000 ] - [ -0.0004523000000000, -0.0000913000000000, -0.0002003500000000 ] - [ 0.0001891200000000, 0.0000500700000000, -0.0003177200000000 ] - [ 0.0001936200000000, 0.0000132700000000, -0.0002928900000000 ] - [ 0.0001659700000000, 0.0000074900000000, -0.0002929200000000 ] - [ 0.0010617800000000, -0.0003038900000000, 0.0003203100000000 ] - [ -0.0041415400000000, -0.0008304200000000, 0.0001556100000000 ] - [ -0.0004471600000000, -0.0000006100000000, -0.0001605000000000 ] - [ -0.0004389800000000, -0.0000013700000000, -0.0001886600000000 ] - [ -0.0004472000000000, -0.0000116700000000, -0.0001853400000000 ] - [ -0.0004485400000000, -0.0000060500000000, -0.0001898800000000 ] - [ 0.0001389300000000, -0.0007506400000000, 0.0002833000000000 ] - [ 0.0007300000000000, -0.0001323300000000, 0.0002361300000000 ] - [ 0.0003913800000000, -0.0000332300000000, 0.0001973000000000 ] - [ 0.0004639300000000, 0.0000478500000000, 0.0002218100000000 ] - [ 0.0004013900000000, 0.0000833000000000, 0.0001919100000000 ] - [ 0.0004715200000000, 0.0000198500000000, 0.0002085100000000 ] - [ 0.0007345500000000, 0.0003428800000000, -0.0048964600000000 ] - [ 0.0000099100000000, -0.0013017400000000, -0.0020920600000000 ] - [ -0.0004030000000000, -0.0006360200000000, 0.0000195100000000 ] - [ -0.0003461300000000, -0.0006708000000000, 0.0000439300000000 ] - [ -0.0003544500000000, -0.0006492200000000, 0.0000432700000000 ] - [ -0.0003551800000000, -0.0006180000000000, 0.0000654100000000 ] - [ 0.0002736900000000, -0.0038743400000000, -0.0098969800000000 ] - [ 0.0000944700000000, -0.0006112800000000, -0.0001802300000000 ] - [ 0.0004549200000000, -0.0004654800000000, -0.0004029400000000 ] - [ 0.0003481000000000, -0.0006705700000000, -0.0000615900000000 ] - [ 0.0003470200000000, -0.0006235000000000, -0.0000791100000000 ] - [ 0.0003709200000000, -0.0006184100000000, -0.0000833400000000 ] - [ 0.0000131800000000, 0.0002854600000000, -0.0045419800000000 ] - [ -0.0003008500000000, 0.0005498400000000, 0.0000152900000000 ] - [ -0.0005527600000000, 0.0003513600000000, 0.0000355100000000 ] - [ -0.0003704900000000, 0.0005867000000000, 0.0000897600000000 ] - [ -0.0003545200000000, 0.0006259000000000, 0.0000529300000000 ] - [ -0.0003307200000000, 0.0006112400000000, 0.0000620900000000 ] - [ 0.0012361900000000, 0.0015855400000000, 0.0001016500000000 ] - [ -0.0005481100000000, 0.0018845200000000, 0.0001675900000000 ] - [ 0.0003526900000000, 0.0005992500000000, -0.0001193400000000 ] - [ 0.0004197000000000, 0.0004738200000000, -0.0001523500000000 ] - [ 0.0003463000000000, 0.0005001800000000, -0.0001215600000000 ] - [ 0.0003631400000000, 0.0005856900000000, -0.0000943300000000 ] - [ -0.0003644600000000, 0.0007621500000000, 0.0000105100000000 ] - [ -0.0007147200000000, 0.0001047300000000, -0.0001314300000000 ] - [ -0.0003272000000000, 0.0000238600000000, -0.0001604800000000 ] - [ -0.0003553600000000, -0.0002657400000000, -0.0001495600000000 ] - [ -0.0005760600000000, -0.0000299400000000, -0.0002000300000000 ] - [ -0.0003850700000000, -0.0000153000000000, -0.0001771500000000 ] - [ -0.0010192600000000, -0.0067854200000000, -0.0076289700000000 ] - [ 0.0007236200000000, -0.0000046400000000, 0.0002340900000000 ] - [ -0.0003803600000000, 0.0001343200000000, 0.0001185000000000 ] - [ 0.0004498400000000, -0.0000660800000000, 0.0001952300000000 ] - [ 0.0004521200000000, -0.0000135600000000, 0.0001909400000000 ] - [ 0.0004375600000000, -0.0000190200000000, 0.0001935600000000 ] - [ -0.0004632900000000, -0.0004249300000000, -0.0002240100000000 ] - [ -0.0002909700000000, -0.0004539500000000, 0.0000866800000000 ] - [ -0.0003704400000000, -0.0004842500000000, 0.0000548200000000 ] - [ -0.0002801600000000, -0.0014694900000000, -0.0001726400000000 ] - [ -0.0003184400000000, -0.0006694600000000, 0.0000092600000000 ] - [ -0.0003878700000000, -0.0006886700000000, 0.0000042000000000 ] - [ 0.0005985700000000, -0.0008076400000000, -0.0001391500000000 ] - [ 0.0000678800000000, -0.0009538800000000, -0.0001855600000000 ] - [ 0.0003700000000000, -0.0005908400000000, -0.0001083500000000 ] - [ 0.0004411600000000, -0.0003370300000000, -0.0002761200000000 ] - [ 0.0004445500000000, -0.0003523800000000, -0.0002377400000000 ] - [ 0.0003572800000000, -0.0005952500000000, -0.0001042500000000 ] - [ -0.0000058900000000, 0.0014757600000000, -0.0008523000000000 ] - [ 0.0010151300000000, 0.0017061700000000, -0.0012595000000000 ] - [ -0.0003791600000000, 0.0006872400000000, 0.0000017500000000 ] - [ -0.0004099100000000, 0.0004846800000000, 0.0000675300000000 ] - [ -0.0003196300000000, 0.0005300400000000, 0.0000770600000000 ] - [ -0.0003602000000000, 0.0005738000000000, 0.0000778600000000 ] - [ 0.0009205000000000, -0.0024553300000000, -0.0010426300000000 ] - [ 0.0001417400000000, 0.0005632300000000, -0.0002254800000000 ] - [ 0.0005380800000000, 0.0004917600000000, -0.0002867400000000 ] - [ 0.0003490500000000, 0.0005744500000000, -0.0001653800000000 ] - [ 0.0003545500000000, 0.0006057400000000, -0.0000979700000000 ] - [ 0.0003776300000000, 0.0006021400000000, -0.0000958200000000 ]- atom: 49 displacement: [ 0.0099959935686070, 0.0000000000000000, 0.0002830416512950 ] forces: - [ 0.0066068100000000, -0.0065687300000000, -0.0042854200000000 ] - [ 0.0018726000000000, 0.0007343200000000, 0.0008422000000000 ] - [ 0.0067440400000000, 0.0082579300000000, 0.0075803200000000 ] - [ -0.0004743300000000, 0.0005074800000000, 0.0005826200000000 ] - [ -0.0000640100000000, 0.0001964400000000, 0.0006487900000000 ] - [ -0.0003506800000000, -0.0001830600000000, 0.0006407500000000 ] - [ -0.0032536900000000, -0.0025450000000000, 0.0003856000000000 ] - [ 0.0002504900000000, -0.0013209500000000, 0.0004895800000000 ] - [ 0.0006885400000000, 0.0009984300000000, 0.0008837800000000 ] - [ -0.0011178600000000, 0.0000644600000000, 0.0005063700000000 ] - [ 0.0000751800000000, -0.0000642500000000, 0.0006913500000000 ] - [ 0.0000492000000000, -0.0005039900000000, 0.0006527100000000 ] - [ -0.0022670300000000, 0.0001038100000000, -0.0045794400000000 ] - [ 0.0015524400000000, -0.0004225400000000, -0.0010947600000000 ] - [ 0.0019209400000000, 0.0007422600000000, 0.0001937500000000 ] - [ 0.0000829000000000, 0.0003271400000000, -0.0006424300000000 ] - [ 0.0005100900000000, 0.0003214800000000, -0.0006040100000000 ] - [ 0.0003211900000000, -0.0000574900000000, -0.0005976300000000 ] - [ 0.0006071200000000, -0.0013111100000000, -0.0008681100000000 ] - [ 0.0010758200000000, 0.0000226000000000, -0.0005273500000000 ] - [ -0.0010792500000000, 0.0013696800000000, -0.0005180500000000 ] - [ 0.0002936900000000, 0.0000408900000000, -0.0008077700000000 ] - [ 0.0007575800000000, -0.0001378900000000, -0.0005414600000000 ] - [ -0.0001676800000000, -0.0004815400000000, -0.0004408100000000 ] - [ -0.0032536900000000, 0.0025450000000000, 0.0003856000000000 ] - [ 0.0002504900000000, 0.0013209500000000, 0.0004895800000000 ] - [ 0.0006885400000000, -0.0009984300000000, 0.0008837800000000 ] - [ -0.0011178600000000, -0.0000644600000000, 0.0005063700000000 ] - [ 0.0000751800000000, 0.0000642500000000, 0.0006913500000000 ] - [ 0.0000492000000000, 0.0005039900000000, 0.0006527100000000 ] - [ 0.0066068100000000, 0.0065687300000000, -0.0042854200000000 ] - [ 0.0018726000000000, -0.0007343200000000, 0.0008422000000000 ] - [ 0.0067440400000000, -0.0082579300000000, 0.0075803200000000 ] - [ -0.0004743300000000, -0.0005074800000000, 0.0005826200000000 ] - [ -0.0000640100000000, -0.0001964400000000, 0.0006487900000000 ] - [ -0.0003506800000000, 0.0001830600000000, 0.0006407500000000 ] - [ 0.0006071200000000, 0.0013111100000000, -0.0008681100000000 ] - [ 0.0010758200000000, -0.0000226000000000, -0.0005273500000000 ] - [ -0.0010792500000000, -0.0013696800000000, -0.0005180500000000 ] - [ 0.0002936900000000, -0.0000408900000000, -0.0008077700000000 ] - [ 0.0007575800000000, 0.0001378900000000, -0.0005414600000000 ] - [ -0.0001676800000000, 0.0004815400000000, -0.0004408100000000 ] - [ -0.0022670300000000, -0.0001038100000000, -0.0045794400000000 ] - [ 0.0015524400000000, 0.0004225400000000, -0.0010947600000000 ] - [ 0.0019209400000000, -0.0007422600000000, 0.0001937500000000 ] - [ 0.0000829000000000, -0.0003271400000000, -0.0006424300000000 ] - [ 0.0005100900000000, -0.0003214800000000, -0.0006040100000000 ] - [ 0.0003211900000000, 0.0000574900000000, -0.0005976300000000 ] - [ -0.3374942700000000, 0.0000000000000000, 0.0077597400000000 ] - [ 0.0116659100000000, 0.0000000000000000, -0.0000608600000000 ] - [ 0.0115843800000000, 0.0000000000000000, 0.0010770300000000 ] - [ -0.0009122400000000, 0.0000000000000000, 0.0003824300000000 ] - [ 0.0002012000000000, 0.0000000000000000, 0.0003924000000000 ] - [ 0.0002159600000000, 0.0000000000000000, 0.0002158600000000 ] - [ -0.0016616300000000, -0.0003700100000000, -0.0001432000000000 ] - [ 0.0014617200000000, -0.0009042300000000, -0.0003739600000000 ] - [ 0.0010216900000000, 0.0013078900000000, -0.0002486700000000 ] - [ -0.0016616300000000, 0.0003700100000000, -0.0001432000000000 ] - [ 0.0014617200000000, 0.0009042300000000, -0.0003739600000000 ] - [ 0.0010216900000000, -0.0013078900000000, -0.0002486700000000 ] - [ -0.0002950200000000, -0.0028978300000000, 0.0008954600000000 ] - [ 0.0016795700000000, 0.0001574900000000, 0.0002626000000000 ] - [ -0.0002336600000000, 0.0035289000000000, -0.0005465700000000 ] - [ -0.0002950200000000, 0.0028978300000000, 0.0008954600000000 ] - [ 0.0016795700000000, -0.0001574900000000, 0.0002626000000000 ] - [ -0.0002336600000000, -0.0035289000000000, -0.0005465700000000 ] - [ 0.0028074400000000, 0.0000000000000000, 0.0038997200000000 ] - [ 0.0048122100000000, 0.0000000000000000, -0.0000256300000000 ] - [ -0.0036431200000000, 0.0000000000000000, -0.0088376300000000 ] - [ 0.0001250600000000, 0.0000000000000000, -0.0003893400000000 ] - [ 0.0007169100000000, 0.0000000000000000, -0.0003352400000000 ] - [ -0.0003902600000000, 0.0000000000000000, -0.0002845300000000 ] - [ 0.0086973700000000, 0.0000000000000000, 0.0019358800000000 ] - [ -0.0018442700000000, 0.0000000000000000, -0.0005919200000000 ] - [ -0.0045429300000000, 0.0000000000000000, -0.0010925300000000 ] - [ 0.0002037100000000, 0.0000000000000000, -0.0000529500000000 ] - [ -0.0005028800000000, 0.0000000000000000, -0.0001933800000000 ] - [ -0.0006902300000000, 0.0000000000000000, -0.0002693700000000 ] - [ 0.0015912900000000, 0.0012670200000000, 0.0002829600000000 ] - [ -0.0011131500000000, 0.0003414300000000, -0.0001813700000000 ] - [ -0.0002204700000000, -0.0006651700000000, 0.0001592000000000 ] - [ 0.0015912900000000, -0.0012670200000000, 0.0002829600000000 ] - [ -0.0011131500000000, -0.0003414300000000, -0.0001813700000000 ] - [ -0.0002204700000000, 0.0006651700000000, 0.0001592000000000 ] - [ 0.0411316700000000, -0.0394660200000000, -0.0333734600000000 ] - [ -0.0036063400000000, 0.0020101200000000, 0.0018869100000000 ] - [ -0.0043360400000000, -0.0014007700000000, -0.0008415500000000 ] - [ 0.0000692000000000, -0.0008741400000000, -0.0000528600000000 ] - [ -0.0005852900000000, -0.0007614300000000, -0.0000076100000000 ] - [ -0.0004557300000000, -0.0003716700000000, 0.0000843300000000 ] - [ -0.0001169700000000, 0.0003411200000000, 0.0010752300000000 ] - [ -0.0014610300000000, -0.0012907700000000, 0.0003023400000000 ] - [ 0.0007685900000000, -0.0035604400000000, -0.0007149300000000 ] - [ 0.0004347300000000, -0.0008784100000000, 0.0000775500000000 ] - [ 0.0000239900000000, -0.0007351700000000, 0.0000192300000000 ] - [ 0.0005249000000000, -0.0003907800000000, -0.0001318200000000 ] - [ -0.0007250600000000, 0.0036309500000000, -0.0004230000000000 ] - [ -0.0016622100000000, 0.0001236200000000, 0.0001884000000000 ] - [ 0.0010495100000000, -0.0042208300000000, -0.0000265300000000 ] - [ -0.0005113200000000, -0.0003412000000000, 0.0005059400000000 ] - [ -0.0008604400000000, 0.0006094500000000, 0.0000779800000000 ] - [ 0.0003570400000000, 0.0020959100000000, -0.0006421500000000 ] - [ 0.0019962600000000, 0.0013830300000000, 0.0013820600000000 ] - [ -0.0005176000000000, 0.0018587100000000, 0.0006010300000000 ] - [ -0.0004382600000000, -0.0004705300000000, -0.0005665000000000 ] - [ 0.0010350800000000, 0.0002091800000000, -0.0003228300000000 ] - [ 0.0000703500000000, 0.0003504100000000, -0.0000972100000000 ] - [ -0.0000989900000000, 0.0013087900000000, 0.0002862500000000 ] - [ 0.0006196500000000, 0.0004775800000000, 0.0000570600000000 ] - [ -0.0016606500000000, 0.0000189700000000, -0.0004721200000000 ] - [ -0.0002618000000000, -0.0007208600000000, -0.0002201900000000 ] - [ 0.0006196500000000, -0.0004775800000000, 0.0000570600000000 ] - [ -0.0016606500000000, -0.0000189700000000, -0.0004721200000000 ] - [ -0.0002618000000000, 0.0007208600000000, -0.0002201900000000 ] - [ -0.0141735000000000, 0.0000000000000000, -0.0028761500000000 ] - [ -0.0057090000000000, 0.0000000000000000, -0.0015144700000000 ] - [ 0.2325699700000000, 0.0000000000000000, 0.0656488200000000 ] - [ 0.0002544300000000, 0.0000000000000000, 0.0001297400000000 ] - [ -0.0001108400000000, 0.0000000000000000, 0.0000916900000000 ] - [ 0.0008637200000000, 0.0000000000000000, 0.0002935600000000 ] - [ -0.0007250600000000, -0.0036309500000000, -0.0004230000000000 ] - [ -0.0016622100000000, -0.0001236200000000, 0.0001884000000000 ] - [ 0.0010495100000000, 0.0042208300000000, -0.0000265300000000 ] - [ -0.0005113200000000, 0.0003412000000000, 0.0005059400000000 ] - [ -0.0008604400000000, -0.0006094500000000, 0.0000779800000000 ] - [ 0.0003570400000000, -0.0020959100000000, -0.0006421500000000 ] - [ 0.0019962600000000, -0.0013830300000000, 0.0013820600000000 ] - [ -0.0005176000000000, -0.0018587100000000, 0.0006010300000000 ] - [ -0.0004382600000000, 0.0004705300000000, -0.0005665000000000 ] - [ 0.0010350800000000, -0.0002091800000000, -0.0003228300000000 ] - [ 0.0000703500000000, -0.0003504100000000, -0.0000972100000000 ] - [ -0.0000989900000000, -0.0013087900000000, 0.0002862500000000 ] - [ 0.0411316700000000, 0.0394660200000000, -0.0333734600000000 ] - [ -0.0036063400000000, -0.0020101200000000, 0.0018869100000000 ] - [ -0.0043360400000000, 0.0014007700000000, -0.0008415500000000 ] - [ 0.0000692000000000, 0.0008741400000000, -0.0000528600000000 ] - [ -0.0005852900000000, 0.0007614300000000, -0.0000076100000000 ] - [ -0.0004557300000000, 0.0003716700000000, 0.0000843300000000 ] - [ -0.0001169700000000, -0.0003411200000000, 0.0010752300000000 ] - [ -0.0014610300000000, 0.0012907700000000, 0.0003023400000000 ] - [ 0.0007685900000000, 0.0035604400000000, -0.0007149300000000 ] - [ 0.0004347300000000, 0.0008784100000000, 0.0000775500000000 ] - [ 0.0000239900000000, 0.0007351700000000, 0.0000192300000000 ] - [ 0.0005249000000000, 0.0003907800000000, -0.0001318200000000 ]- atom: 49 displacement: [ -0.0099959935686070, 0.0000000000000000, -0.0002830416512950 ] forces: - [ -0.0071881700000000, 0.0068697800000000, 0.0054772500000000 ] - [ -0.0024679700000000, -0.0003507200000000, 0.0004037500000000 ] - [ -0.0074229500000000, -0.0079679400000000, -0.0063943200000000 ] - [ -0.0001189700000000, -0.0001170700000000, 0.0006772600000000 ] - [ -0.0005395800000000, 0.0001870000000000, 0.0006100100000000 ] - [ -0.0002473000000000, 0.0005724900000000, 0.0006116900000000 ] - [ 0.0026726200000000, 0.0021982900000000, 0.0008775000000000 ] - [ -0.0008493200000000, 0.0009160500000000, 0.0007604300000000 ] - [ -0.0012850000000000, -0.0013955600000000, 0.0003652000000000 ] - [ 0.0005224300000000, -0.0004532900000000, 0.0007481900000000 ] - [ -0.0006828500000000, -0.0003171500000000, 0.0005688300000000 ] - [ -0.0006445600000000, 0.0001188300000000, 0.0006034400000000 ] - [ 0.0028428500000000, 0.0002926300000000, 0.0033702000000000 ] - [ -0.0009632900000000, 0.0008097900000000, -0.0001720900000000 ] - [ -0.0013257800000000, -0.0003591400000000, -0.0014598400000000 ] - [ 0.0005136300000000, 0.0000580400000000, -0.0006114900000000 ] - [ 0.0000869300000000, 0.0000661000000000, -0.0006558700000000 ] - [ 0.0002798400000000, 0.0004445600000000, -0.0006568900000000 ] - [ -0.0000140100000000, 0.0009243800000000, -0.0003855000000000 ] - [ -0.0004818800000000, -0.0004180700000000, -0.0007301900000000 ] - [ 0.0016926100000000, -0.0017567100000000, -0.0007433500000000 ] - [ 0.0003046100000000, -0.0004253100000000, -0.0004488600000000 ] - [ -0.0001581700000000, -0.0002462600000000, -0.0007158500000000 ] - [ 0.0007701600000000, 0.0000935600000000, -0.0008183600000000 ] - [ 0.0026726200000000, -0.0021982900000000, 0.0008775000000000 ] - [ -0.0008493200000000, -0.0009160500000000, 0.0007604300000000 ] - [ -0.0012850000000000, 0.0013955600000000, 0.0003652000000000 ] - [ 0.0005224300000000, 0.0004532900000000, 0.0007481900000000 ] - [ -0.0006828500000000, 0.0003171500000000, 0.0005688300000000 ] - [ -0.0006445600000000, -0.0001188300000000, 0.0006034400000000 ] - [ -0.0071881700000000, -0.0068697800000000, 0.0054772500000000 ] - [ -0.0024679700000000, 0.0003507200000000, 0.0004037500000000 ] - [ -0.0074229500000000, 0.0079679400000000, -0.0063943200000000 ] - [ -0.0001189700000000, 0.0001170700000000, 0.0006772600000000 ] - [ -0.0005395800000000, -0.0001870000000000, 0.0006100100000000 ] - [ -0.0002473000000000, -0.0005724900000000, 0.0006116900000000 ] - [ -0.0000140100000000, -0.0009243800000000, -0.0003855000000000 ] - [ -0.0004818800000000, 0.0004180700000000, -0.0007301900000000 ] - [ 0.0016926100000000, 0.0017567100000000, -0.0007433500000000 ] - [ 0.0003046100000000, 0.0004253100000000, -0.0004488600000000 ] - [ -0.0001581700000000, 0.0002462600000000, -0.0007158500000000 ] - [ 0.0007701600000000, -0.0000935600000000, -0.0008183600000000 ] - [ 0.0028428500000000, -0.0002926300000000, 0.0033702000000000 ] - [ -0.0009632900000000, -0.0008097900000000, -0.0001720900000000 ] - [ -0.0013257800000000, 0.0003591400000000, -0.0014598400000000 ] - [ 0.0005136300000000, -0.0000580400000000, -0.0006114900000000 ] - [ 0.0000869300000000, -0.0000661000000000, -0.0006558700000000 ] - [ 0.0002798400000000, -0.0004445600000000, -0.0006568900000000 ] - [ 0.3527262700000000, 0.0000000000000000, -0.0030353300000000 ] - [ -0.0118593200000000, 0.0000000000000000, 0.0006633400000000 ] - [ -0.0118892000000000, 0.0000000000000000, -0.0004582500000000 ] - [ 0.0005917000000000, 0.0000000000000000, 0.0002155800000000 ] - [ -0.0005380500000000, 0.0000000000000000, 0.0002069500000000 ] - [ -0.0005404900000000, 0.0000000000000000, 0.0003799700000000 ] - [ 0.0019839900000000, 0.0003830600000000, -0.0004577400000000 ] - [ -0.0011366700000000, 0.0009002100000000, -0.0002302300000000 ] - [ -0.0006875200000000, -0.0013161700000000, -0.0003468900000000 ] - [ 0.0019839900000000, -0.0003830600000000, -0.0004577400000000 ] - [ -0.0011366700000000, -0.0009002100000000, -0.0002302300000000 ] - [ -0.0006875200000000, 0.0013161700000000, -0.0003468900000000 ] - [ -0.0000622500000000, 0.0029017900000000, -0.0002930400000000 ] - [ -0.0020130200000000, -0.0001747600000000, 0.0003429400000000 ] - [ -0.0000869400000000, -0.0035409100000000, 0.0011523200000000 ] - [ -0.0000622500000000, -0.0029017900000000, -0.0002930400000000 ] - [ -0.0020130200000000, 0.0001747600000000, 0.0003429400000000 ] - [ -0.0000869400000000, 0.0035409100000000, 0.0011523200000000 ] - [ -0.0024753500000000, 0.0000000000000000, -0.0044428700000000 ] - [ -0.0044901300000000, 0.0000000000000000, -0.0005580000000000 ] - [ 0.0040684300000000, 0.0000000000000000, 0.0082486100000000 ] - [ 0.0002027000000000, 0.0000000000000000, -0.0002102700000000 ] - [ -0.0003896900000000, 0.0000000000000000, -0.0002611700000000 ] - [ 0.0007271200000000, 0.0000000000000000, -0.0003093400000000 ] - [ -0.0095132000000000, 0.0000000000000000, -0.0022826800000000 ] - [ 0.0010986100000000, 0.0000000000000000, 0.0002331500000000 ] - [ 0.0037641000000000, 0.0000000000000000, 0.0007233700000000 ] - [ -0.0009799200000000, 0.0000000000000000, -0.0003162400000000 ] - [ -0.0002704400000000, 0.0000000000000000, -0.0001761800000000 ] - [ -0.0000780300000000, 0.0000000000000000, -0.0000973400000000 ] - [ -0.0008090400000000, -0.0012799000000000, 0.0000830700000000 ] - [ 0.0018921200000000, -0.0003436100000000, 0.0005481300000000 ] - [ 0.0009859700000000, 0.0006798500000000, 0.0002049800000000 ] - [ -0.0008090400000000, 0.0012799000000000, 0.0000830700000000 ] - [ 0.0018921200000000, 0.0003436100000000, 0.0005481300000000 ] - [ 0.0009859700000000, -0.0006798500000000, 0.0002049800000000 ] - [ -0.0423920400000000, 0.0378812300000000, 0.0332023100000000 ] - [ 0.0029154200000000, -0.0032446900000000, -0.0017727600000000 ] - [ 0.0036552700000000, 0.0001342800000000, 0.0009305800000000 ] - [ -0.0007610600000000, -0.0003847000000000, 0.0001456100000000 ] - [ -0.0001009200000000, -0.0004999200000000, 0.0001017800000000 ] - [ -0.0002284500000000, -0.0008843900000000, 0.0000088600000000 ] - [ 0.0008237800000000, -0.0015986800000000, -0.0011554200000000 ] - [ 0.0021504600000000, 0.0000413700000000, -0.0003886300000000 ] - [ -0.0000948200000000, 0.0023079200000000, 0.0006394800000000 ] - [ 0.0002552200000000, -0.0003859300000000, -0.0001693000000000 ] - [ 0.0006675200000000, -0.0005302800000000, -0.0001081800000000 ] - [ 0.0001592600000000, -0.0008692700000000, 0.0000429800000000 ] - [ 0.0000519900000000, -0.0023496200000000, 0.0005114900000000 ] - [ 0.0009808700000000, 0.0011626300000000, -0.0001005800000000 ] - [ -0.0017534400000000, 0.0055051300000000, 0.0001207300000000 ] - [ -0.0001682900000000, 0.0016018000000000, -0.0004196100000000 ] - [ 0.0001668300000000, 0.0006472700000000, 0.0000130800000000 ] - [ -0.0010505000000000, -0.0008397000000000, 0.0007380700000000 ] - [ -0.0013116500000000, -0.0001475300000000, -0.0014922300000000 ] - [ 0.0012086700000000, -0.0005892200000000, -0.0006869900000000 ] - [ 0.0011312000000000, 0.0017388500000000, 0.0004853100000000 ] - [ -0.0003484000000000, 0.0010574700000000, 0.0002366800000000 ] - [ 0.0006160300000000, 0.0009067800000000, 0.0000097700000000 ] - [ 0.0007851800000000, -0.0000520700000000, -0.0003837200000000 ] - [ -0.0013791300000000, -0.0004819400000000, -0.0004166000000000 ] - [ 0.0008867600000000, -0.0000240600000000, 0.0001061600000000 ] - [ -0.0005239900000000, 0.0007238800000000, -0.0001476300000000 ] - [ -0.0013791300000000, 0.0004819400000000, -0.0004166000000000 ] - [ 0.0008867600000000, 0.0000240600000000, 0.0001061600000000 ] - [ -0.0005239900000000, -0.0007238800000000, -0.0001476300000000 ] - [ 0.0148058200000000, 0.0000000000000000, 0.0031963000000000 ] - [ 0.0064505900000000, 0.0000000000000000, 0.0018659300000000 ] - [ -0.2461318600000000, 0.0000000000000000, -0.0688388300000000 ] - [ 0.0005329700000000, 0.0000000000000000, 0.0002404900000000 ] - [ 0.0008828000000000, 0.0000000000000000, 0.0002724500000000 ] - [ -0.0001039700000000, 0.0000000000000000, 0.0000686000000000 ] - [ 0.0000519900000000, 0.0023496200000000, 0.0005114900000000 ] - [ 0.0009808700000000, -0.0011626300000000, -0.0001005800000000 ] - [ -0.0017534400000000, -0.0055051300000000, 0.0001207300000000 ] - [ -0.0001682900000000, -0.0016018000000000, -0.0004196100000000 ] - [ 0.0001668300000000, -0.0006472700000000, 0.0000130800000000 ] - [ -0.0010505000000000, 0.0008397000000000, 0.0007380700000000 ] - [ -0.0013116500000000, 0.0001475300000000, -0.0014922300000000 ] - [ 0.0012086700000000, 0.0005892200000000, -0.0006869900000000 ] - [ 0.0011312000000000, -0.0017388500000000, 0.0004853100000000 ] - [ -0.0003484000000000, -0.0010574700000000, 0.0002366800000000 ] - [ 0.0006160300000000, -0.0009067800000000, 0.0000097700000000 ] - [ 0.0007851800000000, 0.0000520700000000, -0.0003837200000000 ] - [ -0.0423920400000000, -0.0378812300000000, 0.0332023100000000 ] - [ 0.0029154200000000, 0.0032446900000000, -0.0017727600000000 ] - [ 0.0036552700000000, -0.0001342800000000, 0.0009305800000000 ] - [ -0.0007610600000000, 0.0003847000000000, 0.0001456100000000 ] - [ -0.0001009200000000, 0.0004999200000000, 0.0001017800000000 ] - [ -0.0002284500000000, 0.0008843900000000, 0.0000088600000000 ] - [ 0.0008237800000000, 0.0015986800000000, -0.0011554200000000 ] - [ 0.0021504600000000, -0.0000413700000000, -0.0003886300000000 ] - [ -0.0000948200000000, -0.0023079200000000, 0.0006394800000000 ] - [ 0.0002552200000000, 0.0003859300000000, -0.0001693000000000 ] - [ 0.0006675200000000, 0.0005302800000000, -0.0001081800000000 ] - [ 0.0001592600000000, 0.0008692700000000, 0.0000429800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0105711300000000, -0.0005201700000000, 0.0041940700000000 ] - [ -0.0003040400000000, -0.0003616100000000, 0.0007014300000000 ] - [ 0.0074216700000000, -0.0011025000000000, 0.0026350300000000 ] - [ -0.0004282500000000, 0.0012761200000000, 0.0005179800000000 ] - [ -0.0003739600000000, 0.0006620800000000, 0.0006083000000000 ] - [ -0.0005992900000000, 0.0011966800000000, 0.0005172900000000 ] - [ 0.0002862900000000, 0.0089510000000000, 0.0054333300000000 ] - [ -0.0014516600000000, -0.0006848900000000, 0.0006844800000000 ] - [ 0.0001584000000000, -0.0008882500000000, 0.0007994300000000 ] - [ -0.0003664400000000, 0.0012584600000000, 0.0005267000000000 ] - [ 0.0003436700000000, 0.0004544600000000, 0.0006397800000000 ] - [ -0.0005914300000000, 0.0006148200000000, 0.0004694700000000 ] - [ -0.0007168200000000, -0.0003520200000000, 0.0066729700000000 ] - [ -0.0000102100000000, -0.0005247000000000, -0.0006822300000000 ] - [ 0.0005668300000000, -0.0005223400000000, -0.0007210300000000 ] - [ 0.0005223300000000, 0.0012673600000000, -0.0005599300000000 ] - [ 0.0004638700000000, 0.0007579600000000, -0.0006122700000000 ] - [ 0.0003396400000000, 0.0007676400000000, -0.0006099900000000 ] - [ -0.0006161700000000, -0.0004826200000000, -0.0000181300000000 ] - [ 0.0004713100000000, -0.0005946600000000, -0.0006378900000000 ] - [ 0.0015738200000000, -0.0002399400000000, 0.0004922500000000 ] - [ 0.0006499400000000, 0.0008440300000000, -0.0008657100000000 ] - [ 0.0002047700000000, 0.0003211900000000, -0.0006509700000000 ] - [ -0.0001827800000000, 0.0007070500000000, -0.0010049200000000 ] - [ -0.0009475900000000, 0.0093259200000000, -0.0041761100000000 ] - [ 0.0007842900000000, -0.0003925600000000, 0.0005953200000000 ] - [ -0.0008242900000000, -0.0006129900000000, 0.0004954400000000 ] - [ -0.0003033600000000, 0.0015353500000000, 0.0007319500000000 ] - [ -0.0010012100000000, 0.0007338500000000, 0.0006317700000000 ] - [ -0.0000610600000000, 0.0009168500000000, 0.0007976400000000 ] - [ 0.0099712000000000, -0.0008403800000000, -0.0029574200000000 ] - [ -0.0003729000000000, -0.0006404700000000, 0.0006028800000000 ] - [ -0.0081030000000000, -0.0014558600000000, -0.0013661500000000 ] - [ -0.0002306600000000, 0.0009947000000000, 0.0007569900000000 ] - [ -0.0002696300000000, 0.0003564400000000, 0.0006659900000000 ] - [ -0.0000739300000000, 0.0009104900000000, 0.0007510500000000 ] - [ 0.0012694100000000, -0.0001880800000000, -0.0012598800000000 ] - [ 0.0002071900000000, -0.0003300400000000, -0.0006401100000000 ] - [ -0.0009375000000000, 0.0000598000000000, -0.0017857800000000 ] - [ -0.0000050900000000, 0.0011444500000000, -0.0004052800000000 ] - [ 0.0004379700000000, 0.0006338600000000, -0.0006198500000000 ] - [ 0.0008466500000000, 0.0009950400000000, -0.0002721200000000 ] - [ 0.0013844600000000, -0.0006955200000000, -0.0080054600000000 ] - [ 0.0006955400000000, -0.0007878500000000, -0.0006231400000000 ] - [ 0.0001011500000000, -0.0008138600000000, -0.0005753100000000 ] - [ 0.0001476500000000, 0.0009966800000000, -0.0007001900000000 ] - [ 0.0001851200000000, 0.0004599800000000, -0.0006673700000000 ] - [ 0.0003159900000000, 0.0004576000000000, -0.0006498100000000 ] - [ -0.0034053000000000, -0.3358011600000000, 0.0058357800000000 ] - [ -0.0001687300000000, -0.0016087700000000, 0.0002777400000000 ] - [ -0.0001489900000000, -0.0016077400000000, 0.0002766100000000 ] - [ -0.0001830800000000, 0.0026207800000000, 0.0002769700000000 ] - [ -0.0001773000000000, 0.0016142600000000, 0.0002751700000000 ] - [ -0.0001822900000000, 0.0016137500000000, 0.0002753700000000 ] - [ -0.0001669100000000, 0.0024490700000000, -0.0010968000000000 ] - [ -0.0007120600000000, 0.0002970700000000, -0.0006529900000000 ] - [ 0.0015007800000000, 0.0001627000000000, -0.0005768900000000 ] - [ 0.0005327800000000, 0.0024378700000000, 0.0005478000000000 ] - [ 0.0010771900000000, 0.0002916900000000, 0.0001027000000000 ] - [ -0.0011399300000000, 0.0001488600000000, 0.0000277500000000 ] - [ -0.0036914600000000, 0.0040187200000000, -0.0002727700000000 ] - [ -0.0003580900000000, 0.0000072600000000, 0.0005372700000000 ] - [ 0.0027439800000000, 0.0040163900000000, -0.0010312200000000 ] - [ 0.0033478700000000, 0.0040262600000000, 0.0008300600000000 ] - [ 0.0000024700000000, -0.0000025100000000, 0.0000113700000000 ] - [ -0.0031269800000000, 0.0040304300000000, 0.0016002600000000 ] - [ 0.0001631000000000, -0.0086256400000000, -0.0002906400000000 ] - [ 0.0001903500000000, -0.0012564600000000, -0.0002755000000000 ] - [ 0.0002036700000000, -0.0056211100000000, -0.0002981600000000 ] - [ 0.0001833400000000, 0.0021085200000000, -0.0002767900000000 ] - [ 0.0001818900000000, 0.0012256400000000, -0.0002757600000000 ] - [ 0.0001795000000000, 0.0020058700000000, -0.0002755300000000 ] - [ -0.0004274800000000, 0.0041575000000000, -0.0001799700000000 ] - [ -0.0004312700000000, 0.0013745700000000, -0.0001937200000000 ] - [ -0.0004378000000000, 0.0006015300000000, -0.0001920600000000 ] - [ -0.0004285700000000, -0.0008633500000000, -0.0001900100000000 ] - [ -0.0004291700000000, -0.0005686900000000, -0.0001907500000000 ] - [ -0.0004275300000000, -0.0004979600000000, -0.0001897500000000 ] - [ 0.0021639400000000, -0.0033532100000000, 0.0006583600000000 ] - [ 0.0013229400000000, -0.0000976400000000, 0.0003058300000000 ] - [ -0.0018129300000000, -0.0004316900000000, -0.0000651700000000 ] - [ -0.0013173600000000, -0.0033730200000000, -0.0002809700000000 ] - [ -0.0004718100000000, -0.0000987400000000, 0.0000722800000000 ] - [ 0.0026874000000000, -0.0004244600000000, 0.0004452700000000 ] - [ -0.0394191800000000, 0.1437279100000000, 0.1067002300000000 ] - [ -0.0004860800000000, 0.0009004200000000, 0.0006636700000000 ] - [ -0.0006692000000000, 0.0011121500000000, 0.0007963900000000 ] - [ -0.0001290700000000, -0.0026708400000000, -0.0006602600000000 ] - [ -0.0003944800000000, -0.0017597300000000, -0.0003671000000000 ] - [ -0.0000608600000000, -0.0018841000000000, -0.0003606500000000 ] - [ 0.0040461900000000, 0.0036026000000000, -0.0052707900000000 ] - [ 0.0004874600000000, 0.0003548200000000, -0.0004497400000000 ] - [ -0.0006788200000000, 0.0022044300000000, -0.0025795700000000 ] - [ 0.0000392300000000, -0.0023016500000000, 0.0006180200000000 ] - [ 0.0002415200000000, -0.0015316000000000, 0.0002839000000000 ] - [ 0.0003460900000000, -0.0021008900000000, 0.0005768900000000 ] - [ 0.0026342700000000, -0.0016135200000000, -0.0000332700000000 ] - [ -0.0004367800000000, 0.0012008800000000, -0.0001299000000000 ] - [ -0.0048262100000000, -0.0039848100000000, 0.0004075900000000 ] - [ -0.0013290900000000, -0.0016927900000000, 0.0012071100000000 ] - [ -0.0002857700000000, -0.0000163300000000, 0.0003008800000000 ] - [ -0.0001937300000000, -0.0015506000000000, 0.0008611500000000 ] - [ 0.0003905900000000, -0.0014080400000000, -0.0025139400000000 ] - [ 0.0010771100000000, 0.0009138700000000, -0.0001899300000000 ] - [ -0.0000776600000000, 0.0012804900000000, 0.0000481000000000 ] - [ 0.0006687900000000, -0.0013811200000000, -0.0008847100000000 ] - [ -0.0000424600000000, -0.0000566100000000, -0.0001911600000000 ] - [ 0.0006870700000000, -0.0002204700000000, -0.0003098600000000 ] - [ 0.0005548800000000, -0.0005084600000000, 0.0001339500000000 ] - [ -0.0000098600000000, -0.0000388700000000, 0.0000316400000000 ] - [ -0.0017868400000000, -0.0002561600000000, -0.0005009100000000 ] - [ -0.0014152600000000, -0.0005058600000000, -0.0005144400000000 ] - [ -0.0008501600000000, -0.0000345500000000, -0.0004132200000000 ] - [ 0.0009310500000000, -0.0002497100000000, 0.0001178100000000 ] - [ 0.0004138600000000, 0.0053302200000000, 0.0001846700000000 ] - [ 0.0004234600000000, 0.0005214000000000, 0.0001892200000000 ] - [ 0.0009045300000000, 0.0297815600000000, 0.0002386100000000 ] - [ 0.0004239200000000, -0.0008253200000000, 0.0001875400000000 ] - [ 0.0004309700000000, -0.0004705000000000, 0.0001906100000000 ] - [ 0.0004310500000000, -0.0008732400000000, 0.0001905600000000 ] - [ -0.0033542100000000, -0.0028261400000000, 0.0001910100000000 ] - [ -0.0002791900000000, 0.0000111000000000, 0.0002883300000000 ] - [ 0.0041577200000000, -0.0052174900000000, -0.0002492300000000 ] - [ 0.0006120500000000, -0.0029001900000000, -0.0010530000000000 ] - [ -0.0004226800000000, -0.0012270200000000, -0.0001512300000000 ] - [ -0.0005183200000000, -0.0027530000000000, -0.0007028300000000 ] - [ 0.0003252400000000, -0.0026162700000000, 0.0023813000000000 ] - [ -0.0003699500000000, -0.0002881700000000, 0.0000383600000000 ] - [ 0.0007886700000000, 0.0000876300000000, -0.0002073300000000 ] - [ 0.0000491500000000, -0.0025889200000000, 0.0007281100000000 ] - [ 0.0007503800000000, -0.0012659700000000, 0.0000384800000000 ] - [ 0.0000230500000000, -0.0014346800000000, 0.0001612900000000 ] - [ 0.0414106000000000, 0.1502073300000000, -0.1120351900000000 ] - [ -0.0002351800000000, 0.0021144800000000, -0.0005115600000000 ] - [ -0.0000627300000000, 0.0023314300000000, -0.0006494600000000 ] - [ -0.0005772900000000, -0.0014622200000000, 0.0008133600000000 ] - [ -0.0003181900000000, -0.0005527900000000, 0.0005187900000000 ] - [ -0.0006499400000000, -0.0006752700000000, 0.0005130300000000 ] - [ -0.0033302800000000, 0.0048189800000000, 0.0051312600000000 ] - [ 0.0002222400000000, 0.0015676500000000, 0.0002934200000000 ] - [ 0.0013876600000000, 0.0034415000000000, 0.0024357900000000 ] - [ 0.0006719700000000, -0.0010911200000000, -0.0007671400000000 ] - [ 0.0004705300000000, -0.0003213400000000, -0.0004375500000000 ] - [ 0.0003652800000000, -0.0008996500000000, -0.0007326700000000 ]- atom: 49 displacement: [ -0.0011198651297129, 0.0000000000000000, 0.0099370972668709 ] forces: - [ -0.0066179700000000, 0.0031196200000000, 0.0024817400000000 ] - [ -0.0005522200000000, 0.0000351500000000, 0.0006516100000000 ] - [ 0.0042999200000000, -0.0010401400000000, 0.0001397300000000 ] - [ -0.0002447600000000, 0.0001147800000000, 0.0006725700000000 ] - [ -0.0003248100000000, 0.0002506800000000, 0.0006277600000000 ] - [ -0.0002247900000000, 0.0002425000000000, 0.0006356000000000 ] - [ 0.0006045300000000, 0.0030772000000000, 0.0026793600000000 ] - [ -0.0006808800000000, -0.0002959400000000, 0.0007365500000000 ] - [ -0.0003044500000000, -0.0006962600000000, 0.0006072000000000 ] - [ -0.0000944800000000, -0.0004142400000000, 0.0008394200000000 ] - [ -0.0004756400000000, -0.0002333400000000, 0.0006604100000000 ] - [ -0.0002577400000000, -0.0002084000000000, 0.0006852300000000 ] - [ -0.0011925600000000, 0.0037303800000000, 0.0066634500000000 ] - [ 0.0002852000000000, -0.0002841200000000, -0.0002677200000000 ] - [ -0.0001281600000000, -0.0000130800000000, -0.0008104100000000 ] - [ 0.0003260200000000, 0.0002495400000000, -0.0005749000000000 ] - [ 0.0002342900000000, 0.0002522700000000, -0.0006280600000000 ] - [ 0.0002920200000000, 0.0002850900000000, -0.0006135300000000 ] - [ 0.0002060400000000, -0.0005682900000000, -0.0000257300000000 ] - [ 0.0002006300000000, -0.0004400500000000, -0.0006177400000000 ] - [ 0.0006619900000000, -0.0005554000000000, -0.0000240300000000 ] - [ 0.0002532500000000, -0.0002237100000000, -0.0004525300000000 ] - [ 0.0002141600000000, -0.0001802800000000, -0.0006286100000000 ] - [ 0.0003225000000000, -0.0001783700000000, -0.0005507200000000 ] - [ 0.0006045300000000, -0.0030772000000000, 0.0026793600000000 ] - [ -0.0006808800000000, 0.0002959400000000, 0.0007365500000000 ] - [ -0.0003044500000000, 0.0006962600000000, 0.0006072000000000 ] - [ -0.0000944800000000, 0.0004142400000000, 0.0008394200000000 ] - [ -0.0004756400000000, 0.0002333400000000, 0.0006604100000000 ] - [ -0.0002577400000000, 0.0002084000000000, 0.0006852300000000 ] - [ -0.0066179700000000, -0.0031196200000000, 0.0024817400000000 ] - [ -0.0005522200000000, -0.0000351500000000, 0.0006516100000000 ] - [ 0.0042999200000000, 0.0010401400000000, 0.0001397300000000 ] - [ -0.0002447600000000, -0.0001147800000000, 0.0006725700000000 ] - [ -0.0003248100000000, -0.0002506800000000, 0.0006277600000000 ] - [ -0.0002247900000000, -0.0002425000000000, 0.0006356000000000 ] - [ 0.0002060400000000, 0.0005682900000000, -0.0000257300000000 ] - [ 0.0002006300000000, 0.0004400500000000, -0.0006177400000000 ] - [ 0.0006619900000000, 0.0005554000000000, -0.0000240300000000 ] - [ 0.0002532500000000, 0.0002237100000000, -0.0004525300000000 ] - [ 0.0002141600000000, 0.0001802800000000, -0.0006286100000000 ] - [ 0.0003225000000000, 0.0001783700000000, -0.0005507200000000 ] - [ -0.0011925600000000, -0.0037303800000000, 0.0066634500000000 ] - [ 0.0002852000000000, 0.0002841200000000, -0.0002677200000000 ] - [ -0.0001281600000000, 0.0000130800000000, -0.0008104100000000 ] - [ 0.0003260200000000, -0.0002495400000000, -0.0005749000000000 ] - [ 0.0002342900000000, -0.0002522700000000, -0.0006280600000000 ] - [ 0.0002920200000000, -0.0002850900000000, -0.0006135300000000 ] - [ 0.0504413200000000, 0.0000000000000000, -0.2986613500000000 ] - [ -0.0008713300000000, 0.0000000000000000, 0.0010571900000000 ] - [ -0.0019215100000000, 0.0000000000000000, 0.0009787500000000 ] - [ -0.0000435000000000, 0.0000000000000000, 0.0002369400000000 ] - [ -0.0004006100000000, 0.0000000000000000, 0.0002564800000000 ] - [ -0.0002337300000000, 0.0000000000000000, 0.0003319600000000 ] - [ 0.0006235500000000, -0.0007663600000000, -0.0002252300000000 ] - [ 0.0000609200000000, -0.0002685400000000, -0.0004454300000000 ] - [ 0.0001944800000000, -0.0004461800000000, -0.0003835700000000 ] - [ 0.0006235500000000, 0.0007663600000000, -0.0002252300000000 ] - [ 0.0000609200000000, 0.0002685400000000, -0.0004454300000000 ] - [ 0.0001944800000000, 0.0004461800000000, -0.0003835700000000 ] - [ -0.0010783700000000, 0.0016496700000000, -0.0005034200000000 ] - [ -0.0005112700000000, -0.0002899800000000, 0.0003565200000000 ] - [ 0.0003682000000000, 0.0001679100000000, -0.0003034500000000 ] - [ -0.0010783700000000, -0.0016496700000000, -0.0005034200000000 ] - [ -0.0005112700000000, 0.0002899800000000, 0.0003565200000000 ] - [ 0.0003682000000000, -0.0001679100000000, -0.0003034500000000 ] - [ 0.0039026300000000, 0.0000000000000000, 0.0085749900000000 ] - [ 0.0000142600000000, 0.0000000000000000, -0.0004230200000000 ] - [ -0.0081026100000000, 0.0000000000000000, 0.0062851600000000 ] - [ 0.0001915200000000, 0.0000000000000000, -0.0003151200000000 ] - [ 0.0001318600000000, 0.0000000000000000, -0.0003095300000000 ] - [ 0.0003210300000000, 0.0000000000000000, -0.0003835700000000 ] - [ 0.0030659400000000, 0.0000000000000000, -0.0102807200000000 ] - [ -0.0023761800000000, 0.0000000000000000, -0.0019690000000000 ] - [ 0.0001380300000000, 0.0000000000000000, -0.0000592200000000 ] - [ -0.0005264900000000, 0.0000000000000000, -0.0001832300000000 ] - [ -0.0004238100000000, 0.0000000000000000, -0.0001734100000000 ] - [ -0.0004334000000000, 0.0000000000000000, -0.0001577600000000 ] - [ 0.0005564100000000, -0.0014633100000000, 0.0005912400000000 ] - [ 0.0008936800000000, 0.0000092300000000, 0.0002807100000000 ] - [ -0.0000192900000000, 0.0000918800000000, 0.0002109300000000 ] - [ 0.0005564100000000, 0.0014633100000000, 0.0005912400000000 ] - [ 0.0008936800000000, -0.0000092300000000, 0.0002807100000000 ] - [ -0.0000192900000000, -0.0000918800000000, 0.0002109300000000 ] - [ -0.0383871100000000, 0.1017292900000000, 0.1225284700000000 ] - [ -0.0000244200000000, -0.0006266100000000, -0.0004064500000000 ] - [ 0.0005905100000000, -0.0000052900000000, 0.0000298900000000 ] - [ -0.0004491500000000, -0.0005123900000000, 0.0000267900000000 ] - [ -0.0002618100000000, -0.0006136800000000, 0.0000643500000000 ] - [ -0.0003210000000000, -0.0006528900000000, 0.0000172000000000 ] - [ 0.0013133800000000, 0.0000394800000000, -0.0043564300000000 ] - [ 0.0003926300000000, -0.0002900500000000, -0.0001560200000000 ] - [ 0.0003728800000000, 0.0011341800000000, -0.0021198900000000 ] - [ 0.0003351800000000, -0.0005883400000000, -0.0001408200000000 ] - [ 0.0004154100000000, -0.0006390600000000, -0.0000703400000000 ] - [ 0.0002886700000000, -0.0007004400000000, -0.0000078400000000 ] - [ 0.0012964200000000, -0.0008995200000000, 0.0000113900000000 ] - [ -0.0001035400000000, 0.0010174100000000, -0.0000810500000000 ] - [ -0.0021082900000000, -0.0001256500000000, 0.0004884200000000 ] - [ -0.0001150900000000, 0.0010940300000000, -0.0002219800000000 ] - [ -0.0003221100000000, 0.0005306600000000, 0.0000723300000000 ] - [ -0.0004674700000000, 0.0007758300000000, 0.0000429000000000 ] - [ 0.0002161800000000, 0.0013422800000000, -0.0010520200000000 ] - [ 0.0004188300000000, 0.0009303100000000, -0.0001768900000000 ] - [ 0.0004267400000000, 0.0010724900000000, 0.0001291900000000 ] - [ 0.0002890200000000, 0.0005160800000000, -0.0002743000000000 ] - [ 0.0004601000000000, 0.0004759500000000, -0.0001607400000000 ] - [ 0.0003988100000000, 0.0004430500000000, -0.0001829500000000 ] - [ -0.0006158000000000, 0.0001587200000000, -0.0003166800000000 ] - [ -0.0002862600000000, 0.0000801400000000, -0.0001127500000000 ] - [ -0.0005275400000000, 0.0002252700000000, -0.0002278700000000 ] - [ -0.0006158000000000, -0.0001587200000000, -0.0003166800000000 ] - [ -0.0002862600000000, -0.0000801400000000, -0.0001127500000000 ] - [ -0.0005275400000000, -0.0002252700000000, -0.0002278700000000 ] - [ 0.0027515400000000, 0.0000000000000000, 0.0031826600000000 ] - [ 0.0012915000000000, 0.0000000000000000, 0.0003265000000000 ] - [ 0.0294603900000000, 0.0000000000000000, 0.0394967200000000 ] - [ 0.0006101900000000, 0.0000000000000000, 0.0002467200000000 ] - [ 0.0005039200000000, 0.0000000000000000, 0.0001955700000000 ] - [ 0.0002778700000000, 0.0000000000000000, 0.0001245700000000 ] - [ 0.0012964200000000, 0.0008995200000000, 0.0000113900000000 ] - [ -0.0001035400000000, -0.0010174100000000, -0.0000810500000000 ] - [ -0.0021082900000000, 0.0001256500000000, 0.0004884200000000 ] - [ -0.0001150900000000, -0.0010940300000000, -0.0002219800000000 ] - [ -0.0003221100000000, -0.0005306600000000, 0.0000723300000000 ] - [ -0.0004674700000000, -0.0007758300000000, 0.0000429000000000 ] - [ 0.0002161800000000, -0.0013422800000000, -0.0010520200000000 ] - [ 0.0004188300000000, -0.0009303100000000, -0.0001768900000000 ] - [ 0.0004267400000000, -0.0010724900000000, 0.0001291900000000 ] - [ 0.0002890200000000, -0.0005160800000000, -0.0002743000000000 ] - [ 0.0004601000000000, -0.0004759500000000, -0.0001607400000000 ] - [ 0.0003988100000000, -0.0004430500000000, -0.0001829500000000 ] - [ -0.0383871100000000, -0.1017292900000000, 0.1225284700000000 ] - [ -0.0000244200000000, 0.0006266100000000, -0.0004064500000000 ] - [ 0.0005905100000000, 0.0000052900000000, 0.0000298900000000 ] - [ -0.0004491500000000, 0.0005123900000000, 0.0000267900000000 ] - [ -0.0002618100000000, 0.0006136800000000, 0.0000643500000000 ] - [ -0.0003210000000000, 0.0006528900000000, 0.0000172000000000 ] - [ 0.0013133800000000, -0.0000394800000000, -0.0043564300000000 ] - [ 0.0003926300000000, 0.0002900500000000, -0.0001560200000000 ] - [ 0.0003728800000000, -0.0011341800000000, -0.0021198900000000 ] - [ 0.0003351800000000, 0.0005883400000000, -0.0001408200000000 ] - [ 0.0004154100000000, 0.0006390600000000, -0.0000703400000000 ] - [ 0.0002886700000000, 0.0007004400000000, -0.0000078400000000 ]- atom: 49 displacement: [ 0.0011198651297129, 0.0000000000000000, -0.0099370972668709 ] forces: - [ 0.0060588700000000, -0.0027148900000000, -0.0011412800000000 ] - [ -0.0000225800000000, 0.0004060400000000, 0.0006050700000000 ] - [ -0.0048604000000000, 0.0014748900000000, 0.0011690900000000 ] - [ -0.0003106300000000, 0.0003356300000000, 0.0005974600000000 ] - [ -0.0002459400000000, 0.0001729000000000, 0.0006372200000000 ] - [ -0.0003378600000000, 0.0002102300000000, 0.0006081000000000 ] - [ -0.0011709200000000, -0.0035095000000000, -0.0013946600000000 ] - [ 0.0001073700000000, -0.0001297200000000, 0.0005369600000000 ] - [ -0.0002481800000000, 0.0002360100000000, 0.0006403300000000 ] - [ -0.0004501300000000, -0.0000235700000000, 0.0004336300000000 ] - [ -0.0001011900000000, -0.0001951900000000, 0.0006076400000000 ] - [ -0.0003158800000000, -0.0002336600000000, 0.0005812700000000 ] - [ 0.0017980400000000, -0.0034150600000000, -0.0080093000000000 ] - [ 0.0002804000000000, 0.0007191500000000, -0.0010040100000000 ] - [ 0.0006423700000000, 0.0004835700000000, -0.0004466600000000 ] - [ 0.0002519900000000, 0.0001835200000000, -0.0006836800000000 ] - [ 0.0003402600000000, 0.0001834900000000, -0.0006530900000000 ] - [ 0.0002630500000000, 0.0001470700000000, -0.0006577100000000 ] - [ 0.0003853600000000, 0.0001352900000000, -0.0012370100000000 ] - [ 0.0003598700000000, 0.0000014400000000, -0.0006527900000000 ] - [ -0.0000897000000000, 0.0001001600000000, -0.0012268500000000 ] - [ 0.0003207300000000, -0.0002040500000000, -0.0008075300000000 ] - [ 0.0003550600000000, -0.0002442300000000, -0.0006395400000000 ] - [ 0.0002408500000000, -0.0002660300000000, -0.0007204800000000 ] - [ -0.0011709200000000, 0.0035095000000000, -0.0013946600000000 ] - [ 0.0001073700000000, 0.0001297200000000, 0.0005369600000000 ] - [ -0.0002481800000000, -0.0002360100000000, 0.0006403300000000 ] - [ -0.0004501300000000, 0.0000235700000000, 0.0004336300000000 ] - [ -0.0001011900000000, 0.0001951900000000, 0.0006076400000000 ] - [ -0.0003158800000000, 0.0002336600000000, 0.0005812700000000 ] - [ 0.0060588700000000, 0.0027148900000000, -0.0011412800000000 ] - [ -0.0000225800000000, -0.0004060400000000, 0.0006050700000000 ] - [ -0.0048604000000000, -0.0014748900000000, 0.0011690900000000 ] - [ -0.0003106300000000, -0.0003356300000000, 0.0005974600000000 ] - [ -0.0002459400000000, -0.0001729000000000, 0.0006372200000000 ] - [ -0.0003378600000000, -0.0002102300000000, 0.0006081000000000 ] - [ 0.0003853600000000, -0.0001352900000000, -0.0012370100000000 ] - [ 0.0003598700000000, -0.0000014400000000, -0.0006527900000000 ] - [ -0.0000897000000000, -0.0001001600000000, -0.0012268500000000 ] - [ 0.0003207300000000, 0.0002040500000000, -0.0008075300000000 ] - [ 0.0003550600000000, 0.0002442300000000, -0.0006395400000000 ] - [ 0.0002408500000000, 0.0002660300000000, -0.0007204800000000 ] - [ 0.0017980400000000, 0.0034150600000000, -0.0080093000000000 ] - [ 0.0002804000000000, -0.0007191500000000, -0.0010040100000000 ] - [ 0.0006423700000000, -0.0004835700000000, -0.0004466600000000 ] - [ 0.0002519900000000, -0.0001835200000000, -0.0006836800000000 ] - [ 0.0003402600000000, -0.0001834900000000, -0.0006530900000000 ] - [ 0.0002630500000000, -0.0001470700000000, -0.0006577100000000 ] - [ -0.0547149800000000, 0.0000000000000000, 0.3042708700000000 ] - [ 0.0004165100000000, 0.0000000000000000, -0.0004918900000000 ] - [ 0.0015833100000000, 0.0000000000000000, -0.0003697700000000 ] - [ -0.0003174300000000, 0.0000000000000000, 0.0003518400000000 ] - [ -0.0000241900000000, 0.0000000000000000, 0.0002906700000000 ] - [ -0.0001997000000000, 0.0000000000000000, 0.0002743400000000 ] - [ -0.0002046500000000, 0.0007671700000000, -0.0003817400000000 ] - [ 0.0003569400000000, 0.0002728600000000, -0.0001232000000000 ] - [ 0.0001901000000000, 0.0004471300000000, -0.0002044200000000 ] - [ -0.0002046500000000, -0.0007671700000000, -0.0003817400000000 ] - [ 0.0003569400000000, -0.0002728600000000, -0.0001232000000000 ] - [ 0.0001901000000000, -0.0004471300000000, -0.0002044200000000 ] - [ 0.0006630300000000, -0.0016352700000000, 0.0010768100000000 ] - [ 0.0001066000000000, 0.0002828000000000, 0.0002178400000000 ] - [ -0.0007665600000000, -0.0001462100000000, 0.0009124700000000 ] - [ 0.0006630300000000, 0.0016352700000000, 0.0010768100000000 ] - [ 0.0001066000000000, -0.0002828000000000, 0.0002178400000000 ] - [ -0.0007665600000000, 0.0001462100000000, 0.0009124700000000 ] - [ -0.0034166200000000, 0.0000000000000000, -0.0091657000000000 ] - [ 0.0004036800000000, 0.0000000000000000, -0.0001514400000000 ] - [ 0.0082764000000000, 0.0000000000000000, -0.0068843800000000 ] - [ 0.0002329500000000, 0.0000000000000000, -0.0002387100000000 ] - [ 0.0002471600000000, 0.0000000000000000, -0.0002491700000000 ] - [ 0.0000687700000000, 0.0000000000000000, -0.0002375700000000 ] - [ -0.0038692500000000, 0.0000000000000000, 0.0099676300000000 ] - [ 0.0014021900000000, 0.0000000000000000, 0.0015562100000000 ] - [ -0.0010774400000000, 0.0000000000000000, -0.0003461200000000 ] - [ -0.0003427900000000, 0.0000000000000000, -0.0001689600000000 ] - [ -0.0005117000000000, 0.0000000000000000, -0.0002125100000000 ] - [ -0.0004599400000000, 0.0000000000000000, -0.0002018800000000 ] - [ 0.0003677700000000, 0.0014401300000000, -0.0002056000000000 ] - [ 0.0000095000000000, -0.0000086400000000, 0.0000964000000000 ] - [ 0.0009063000000000, -0.0000530100000000, 0.0001534000000000 ] - [ 0.0003677700000000, -0.0014401300000000, -0.0002056000000000 ] - [ 0.0000095000000000, 0.0000086400000000, 0.0000964000000000 ] - [ 0.0009063000000000, 0.0000530100000000, 0.0001534000000000 ] - [ 0.0393017300000000, -0.1075544300000000, -0.1250265400000000 ] - [ -0.0006486900000000, -0.0005922100000000, 0.0005537800000000 ] - [ -0.0012966200000000, -0.0012810900000000, 0.0001076100000000 ] - [ -0.0002951200000000, -0.0006960700000000, 0.0000982900000000 ] - [ -0.0004523900000000, -0.0005850200000000, 0.0000991400000000 ] - [ -0.0003286300000000, -0.0005653900000000, 0.0001004100000000 ] - [ -0.0006233800000000, -0.0012492200000000, 0.0042072400000000 ] - [ 0.0003336500000000, -0.0008966500000000, 0.0000320600000000 ] - [ 0.0004001200000000, -0.0023107800000000, 0.0019763700000000 ] - [ 0.0003561400000000, -0.0006189100000000, -0.0000333500000000 ] - [ 0.0003118700000000, -0.0005695600000000, -0.0000799900000000 ] - [ 0.0004049400000000, -0.0005346800000000, -0.0000785400000000 ] - [ -0.0019936000000000, 0.0020863300000000, 0.0001135400000000 ] - [ -0.0005669900000000, 0.0002167300000000, 0.0002421400000000 ] - [ 0.0013565400000000, 0.0013619400000000, -0.0003718800000000 ] - [ -0.0005874500000000, 0.0000872300000000, 0.0003572600000000 ] - [ -0.0004039200000000, 0.0006750400000000, 0.0000675100000000 ] - [ -0.0002470300000000, 0.0005073500000000, 0.0000750600000000 ] - [ 0.0004889500000000, -0.0001169000000000, 0.0008970200000000 ] - [ 0.0002675800000000, 0.0002528000000000, 0.0000276200000000 ] - [ 0.0003068200000000, 0.0001219900000000, -0.0002396500000000 ] - [ 0.0004153300000000, 0.0007203300000000, 0.0001413900000000 ] - [ 0.0002396000000000, 0.0007207800000000, 0.0000186200000000 ] - [ 0.0003131300000000, 0.0007852200000000, 0.0000367100000000 ] - [ -0.0002890800000000, -0.0001520200000000, -0.0000509300000000 ] - [ -0.0006323500000000, -0.0001029300000000, -0.0002693500000000 ] - [ -0.0003720400000000, -0.0002284500000000, -0.0001514700000000 ] - [ -0.0002890800000000, 0.0001520200000000, -0.0000509300000000 ] - [ -0.0006323500000000, 0.0001029300000000, -0.0002693500000000 ] - [ -0.0003720400000000, 0.0002284500000000, -0.0001514700000000 ] - [ -0.0017537200000000, 0.0000000000000000, -0.0028031200000000 ] - [ -0.0004240500000000, 0.0000000000000000, 0.0000293800000000 ] - [ -0.0281172400000000, 0.0000000000000000, -0.0388473600000000 ] - [ 0.0003448800000000, 0.0000000000000000, 0.0001659600000000 ] - [ 0.0004070600000000, 0.0000000000000000, 0.0001865800000000 ] - [ 0.0005682500000000, 0.0000000000000000, 0.0002066800000000 ] - [ -0.0019936000000000, -0.0020863300000000, 0.0001135400000000 ] - [ -0.0005669900000000, -0.0002167300000000, 0.0002421400000000 ] - [ 0.0013565400000000, -0.0013619400000000, -0.0003718800000000 ] - [ -0.0005874500000000, -0.0000872300000000, 0.0003572600000000 ] - [ -0.0004039200000000, -0.0006750400000000, 0.0000675100000000 ] - [ -0.0002470300000000, -0.0005073500000000, 0.0000750600000000 ] - [ 0.0004889500000000, 0.0001169000000000, 0.0008970200000000 ] - [ 0.0002675800000000, -0.0002528000000000, 0.0000276200000000 ] - [ 0.0003068200000000, -0.0001219900000000, -0.0002396500000000 ] - [ 0.0004153300000000, -0.0007203300000000, 0.0001413900000000 ] - [ 0.0002396000000000, -0.0007207800000000, 0.0000186200000000 ] - [ 0.0003131300000000, -0.0007852200000000, 0.0000367100000000 ] - [ 0.0393017300000000, 0.1075544300000000, -0.1250265400000000 ] - [ -0.0006486900000000, 0.0005922100000000, 0.0005537800000000 ] - [ -0.0012966200000000, 0.0012810900000000, 0.0001076100000000 ] - [ -0.0002951200000000, 0.0006960700000000, 0.0000982900000000 ] - [ -0.0004523900000000, 0.0005850200000000, 0.0000991400000000 ] - [ -0.0003286300000000, 0.0005653900000000, 0.0001004100000000 ] - [ -0.0006233800000000, 0.0012492200000000, 0.0042072400000000 ] - [ 0.0003336500000000, 0.0008966500000000, 0.0000320600000000 ] - [ 0.0004001200000000, 0.0023107800000000, 0.0019763700000000 ] - [ 0.0003561400000000, 0.0006189100000000, -0.0000333500000000 ] - [ 0.0003118700000000, 0.0005695600000000, -0.0000799900000000 ] - [ 0.0004049400000000, 0.0005346800000000, -0.0000785400000000 ]- atom: 73 displacement: [ 0.0099959935686070, 0.0000000000000000, 0.0002830416512950 ] forces: - [ -0.0008943800000000, 0.0010764500000000, -0.0009608600000000 ] - [ -0.0015702000000000, -0.0003041300000000, 0.0004973900000000 ] - [ 0.0009741600000000, -0.0000184000000000, 0.0044730600000000 ] - [ -0.0002282300000000, -0.0000340300000000, 0.0006400400000000 ] - [ -0.0004931800000000, 0.0002354600000000, 0.0006179300000000 ] - [ -0.0001853500000000, 0.0003823100000000, 0.0006552300000000 ] - [ 0.0010684400000000, 0.0006887500000000, 0.0007034400000000 ] - [ -0.0008456100000000, 0.0003020000000000, 0.0004588700000000 ] - [ -0.0009142500000000, -0.0010739800000000, 0.0008441400000000 ] - [ 0.0001841900000000, -0.0003824500000000, 0.0005928500000000 ] - [ -0.0006139400000000, -0.0002367700000000, 0.0005364000000000 ] - [ -0.0004451000000000, 0.0000305300000000, 0.0007549300000000 ] - [ 0.0083457200000000, -0.0030296400000000, 0.0020977400000000 ] - [ -0.0015504200000000, 0.0011861400000000, -0.0011192700000000 ] - [ -0.0036058600000000, -0.0003546700000000, -0.0002402300000000 ] - [ 0.0004236200000000, -0.0000110700000000, -0.0006357400000000 ] - [ 0.0000994500000000, 0.0001021900000000, -0.0006662500000000 ] - [ 0.0003617900000000, 0.0004641100000000, -0.0006181200000000 ] - [ -0.0003473000000000, 0.0018849700000000, -0.0009970100000000 ] - [ -0.0004534900000000, -0.0005445900000000, -0.0006602000000000 ] - [ 0.0027444600000000, -0.0037943900000000, -0.0000606900000000 ] - [ 0.0002002500000000, -0.0004397700000000, -0.0006096800000000 ] - [ -0.0001272200000000, -0.0001831600000000, -0.0007134600000000 ] - [ 0.0008633800000000, 0.0000745100000000, -0.0005897000000000 ] - [ 0.0010684400000000, -0.0006887500000000, 0.0007034400000000 ] - [ -0.0008456100000000, -0.0003020000000000, 0.0004588700000000 ] - [ -0.0009142500000000, 0.0010739800000000, 0.0008441400000000 ] - [ 0.0001841900000000, 0.0003824500000000, 0.0005928500000000 ] - [ -0.0006139400000000, 0.0002367700000000, 0.0005364000000000 ] - [ -0.0004451000000000, -0.0000305300000000, 0.0007549300000000 ] - [ -0.0008943800000000, -0.0010764500000000, -0.0009608600000000 ] - [ -0.0015702000000000, 0.0003041300000000, 0.0004973900000000 ] - [ 0.0009741600000000, 0.0000184000000000, 0.0044730600000000 ] - [ -0.0002282300000000, 0.0000340300000000, 0.0006400400000000 ] - [ -0.0004931800000000, -0.0002354600000000, 0.0006179300000000 ] - [ -0.0001853500000000, -0.0003823100000000, 0.0006552300000000 ] - [ -0.0003473000000000, -0.0018849700000000, -0.0009970100000000 ] - [ -0.0004534900000000, 0.0005445900000000, -0.0006602000000000 ] - [ 0.0027444600000000, 0.0037943900000000, -0.0000606900000000 ] - [ 0.0002002500000000, 0.0004397700000000, -0.0006096800000000 ] - [ -0.0001272200000000, 0.0001831600000000, -0.0007134600000000 ] - [ 0.0008633800000000, -0.0000745100000000, -0.0005897000000000 ] - [ 0.0083457200000000, 0.0030296400000000, 0.0020977400000000 ] - [ -0.0015504200000000, -0.0011861400000000, -0.0011192700000000 ] - [ -0.0036058600000000, 0.0003546700000000, -0.0002402300000000 ] - [ 0.0004236200000000, 0.0000110700000000, -0.0006357400000000 ] - [ 0.0000994500000000, -0.0001021900000000, -0.0006662500000000 ] - [ 0.0003617900000000, -0.0004641100000000, -0.0006181200000000 ] - [ 0.0088301700000000, 0.0000000000000000, 0.0044941300000000 ] - [ -0.0043991400000000, 0.0000000000000000, 0.0004375900000000 ] - [ -0.0016477000000000, 0.0000000000000000, -0.0018284200000000 ] - [ 0.0003558600000000, 0.0000000000000000, 0.0002247800000000 ] - [ -0.0005316400000000, 0.0000000000000000, 0.0002489100000000 ] - [ -0.0003323800000000, 0.0000000000000000, 0.0003119100000000 ] - [ 0.0014327600000000, 0.0017441800000000, -0.0000380100000000 ] - [ -0.0012937600000000, 0.0009029500000000, 0.0000091200000000 ] - [ -0.0003561600000000, -0.0022489700000000, -0.0007838400000000 ] - [ 0.0014327600000000, -0.0017441800000000, -0.0000380100000000 ] - [ -0.0012937600000000, -0.0009029500000000, 0.0000091200000000 ] - [ -0.0003561600000000, 0.0022489700000000, -0.0007838400000000 ] - [ -0.0000933400000000, 0.0013700200000000, 0.0001975800000000 ] - [ -0.0015041500000000, -0.0004154300000000, 0.0003062700000000 ] - [ 0.0007667400000000, -0.0009943200000000, 0.0001973100000000 ] - [ -0.0000933400000000, -0.0013700200000000, 0.0001975800000000 ] - [ -0.0015041500000000, 0.0004154300000000, 0.0003062700000000 ] - [ 0.0007667400000000, 0.0009943200000000, 0.0001973100000000 ] - [ -0.0144207900000000, 0.0000000000000000, 0.0004013800000000 ] - [ -0.0058821300000000, 0.0000000000000000, -0.0000696500000000 ] - [ 0.2328146100000000, 0.0000000000000000, 0.0552212200000000 ] - [ 0.0000717600000000, 0.0000000000000000, -0.0001832900000000 ] - [ -0.0002646600000000, 0.0000000000000000, -0.0002821500000000 ] - [ 0.0007313600000000, 0.0000000000000000, -0.0003157100000000 ] - [ -0.2586765900000000, 0.0000000000000000, -0.0578785100000000 ] - [ 0.0057416800000000, 0.0000000000000000, 0.0017146800000000 ] - [ 0.0057189400000000, 0.0000000000000000, 0.0010846900000000 ] - [ -0.0009261500000000, 0.0000000000000000, -0.0003089700000000 ] - [ -0.0002031800000000, 0.0000000000000000, -0.0001648600000000 ] - [ -0.0002149900000000, 0.0000000000000000, -0.0001298700000000 ] - [ -0.0002548400000000, -0.0004704700000000, 0.0000621400000000 ] - [ 0.0015947100000000, -0.0001270900000000, 0.0004758400000000 ] - [ 0.0002085400000000, 0.0004153900000000, 0.0001100000000000 ] - [ -0.0002548400000000, 0.0004704700000000, 0.0000621400000000 ] - [ 0.0015947100000000, 0.0001270900000000, 0.0004758400000000 ] - [ 0.0002085400000000, -0.0004153900000000, 0.0001100000000000 ] - [ -0.0027109800000000, -0.0025056200000000, 0.0011034300000000 ] - [ 0.0012504000000000, -0.0013842200000000, 0.0000036600000000 ] - [ 0.0005719200000000, -0.0000776000000000, -0.0005157200000000 ] - [ -0.0006020400000000, -0.0004076700000000, 0.0001689600000000 ] - [ -0.0001303700000000, -0.0005744600000000, 0.0000916300000000 ] - [ -0.0003531100000000, -0.0007997900000000, 0.0000087800000000 ] - [ 0.0066532800000000, -0.0037975300000000, 0.0020422900000000 ] - [ 0.0024623200000000, 0.0003122400000000, -0.0006181300000000 ] - [ 0.0052908200000000, 0.0101127700000000, -0.0085126600000000 ] - [ 0.0003514900000000, -0.0003850200000000, -0.0001400100000000 ] - [ 0.0006269400000000, -0.0005891000000000, -0.0000899000000000 ] - [ 0.0001092500000000, -0.0008132800000000, -0.0000287500000000 ] - [ -0.0001639400000000, -0.0009217200000000, 0.0009654100000000 ] - [ 0.0005281100000000, 0.0012673900000000, -0.0001946600000000 ] - [ -0.0015848800000000, 0.0019099400000000, -0.0013060200000000 ] - [ -0.0001703500000000, 0.0011979900000000, -0.0002012800000000 ] - [ -0.0000064100000000, 0.0005199200000000, 0.0000756600000000 ] - [ -0.0009147200000000, -0.0000095400000000, 0.0004446300000000 ] - [ -0.0021388700000000, -0.0014735900000000, -0.0001138300000000 ] - [ 0.0015811000000000, -0.0007672600000000, -0.0004545500000000 ] - [ 0.0016537600000000, 0.0027498000000000, 0.0005123600000000 ] - [ -0.0002385400000000, 0.0013278300000000, 0.0003104900000000 ] - [ 0.0006486300000000, 0.0008671400000000, -0.0000023000000000 ] - [ 0.0006976800000000, -0.0002398800000000, -0.0005084000000000 ] - [ -0.0009892300000000, -0.0007650900000000, -0.0003532200000000 ] - [ 0.0009453100000000, 0.0000469400000000, 0.0000797300000000 ] - [ -0.0009776700000000, 0.0011971000000000, -0.0001417900000000 ] - [ -0.0009892300000000, 0.0007650900000000, -0.0003532200000000 ] - [ 0.0009453100000000, -0.0000469400000000, 0.0000797300000000 ] - [ -0.0009776700000000, -0.0011971000000000, -0.0001417900000000 ] - [ 0.0034548600000000, 0.0000000000000000, 0.0006998200000000 ] - [ 0.0039777400000000, 0.0000000000000000, 0.0015336600000000 ] - [ -0.0072909300000000, 0.0000000000000000, -0.0021241000000000 ] - [ 0.0005936000000000, 0.0000000000000000, 0.0002436400000000 ] - [ 0.0007188300000000, 0.0000000000000000, 0.0002420100000000 ] - [ 0.0000182100000000, 0.0000000000000000, 0.0001011600000000 ] - [ -0.0001639400000000, 0.0009217200000000, 0.0009654100000000 ] - [ 0.0005281100000000, -0.0012673900000000, -0.0001946600000000 ] - [ -0.0015848800000000, -0.0019099400000000, -0.0013060200000000 ] - [ -0.0001703500000000, -0.0011979900000000, -0.0002012800000000 ] - [ -0.0000064100000000, -0.0005199200000000, 0.0000756600000000 ] - [ -0.0009147200000000, 0.0000095400000000, 0.0004446300000000 ] - [ -0.0021388700000000, 0.0014735900000000, -0.0001138300000000 ] - [ 0.0015811000000000, 0.0007672600000000, -0.0004545500000000 ] - [ 0.0016537600000000, -0.0027498000000000, 0.0005123600000000 ] - [ -0.0002385400000000, -0.0013278300000000, 0.0003104900000000 ] - [ 0.0006486300000000, -0.0008671400000000, -0.0000023000000000 ] - [ 0.0006976800000000, 0.0002398800000000, -0.0005084000000000 ] - [ -0.0027109800000000, 0.0025056200000000, 0.0011034300000000 ] - [ 0.0012504000000000, 0.0013842200000000, 0.0000036600000000 ] - [ 0.0005719200000000, 0.0000776000000000, -0.0005157200000000 ] - [ -0.0006020400000000, 0.0004076700000000, 0.0001689600000000 ] - [ -0.0001303700000000, 0.0005744600000000, 0.0000916300000000 ] - [ -0.0003531100000000, 0.0007997900000000, 0.0000087800000000 ] - [ 0.0066532800000000, 0.0037975300000000, 0.0020422900000000 ] - [ 0.0024623200000000, -0.0003122400000000, -0.0006181300000000 ] - [ 0.0052908200000000, -0.0101127700000000, -0.0085126600000000 ] - [ 0.0003514900000000, 0.0003850200000000, -0.0001400100000000 ] - [ 0.0006269400000000, 0.0005891000000000, -0.0000899000000000 ] - [ 0.0001092500000000, 0.0008132800000000, -0.0000287500000000 ]- atom: 73 displacement: [ -0.0099959935686070, 0.0000000000000000, -0.0002830416512950 ] forces: - [ 0.0003122900000000, -0.0006956800000000, 0.0022056700000000 ] - [ 0.0009647200000000, 0.0006847200000000, 0.0007497300000000 ] - [ -0.0016022900000000, 0.0003831200000000, -0.0032402900000000 ] - [ -0.0003756200000000, 0.0004060300000000, 0.0006207300000000 ] - [ -0.0001044300000000, 0.0001424700000000, 0.0006367600000000 ] - [ -0.0004283100000000, -0.0000114300000000, 0.0006007400000000 ] - [ -0.0016741800000000, -0.0010774300000000, 0.0005510100000000 ] - [ 0.0002482600000000, -0.0006785400000000, 0.0007864300000000 ] - [ 0.0003123300000000, 0.0007062300000000, 0.0004053800000000 ] - [ -0.0007857200000000, 0.0000065000000000, 0.0006615000000000 ] - [ 0.0000130000000000, -0.0001387800000000, 0.0007174500000000 ] - [ -0.0001596100000000, -0.0004057000000000, 0.0004984000000000 ] - [ -0.0076946100000000, 0.0032247400000000, -0.0032219900000000 ] - [ 0.0021494500000000, -0.0008102000000000, -0.0001319500000000 ] - [ 0.0042217500000000, 0.0007365000000000, -0.0010149800000000 ] - [ 0.0001788100000000, 0.0003883400000000, -0.0006172800000000 ] - [ 0.0005038200000000, 0.0002747300000000, -0.0005870100000000 ] - [ 0.0002386800000000, -0.0000874400000000, -0.0006358000000000 ] - [ 0.0009551600000000, -0.0022521700000000, -0.0002491300000000 ] - [ 0.0010571100000000, 0.0001710200000000, -0.0005970300000000 ] - [ -0.0021700300000000, 0.0034271500000000, -0.0011848400000000 ] - [ 0.0004062400000000, 0.0000675600000000, -0.0006397000000000 ] - [ 0.0007283800000000, -0.0001960700000000, -0.0005385400000000 ] - [ -0.0002613300000000, -0.0004509200000000, -0.0006662800000000 ] - [ -0.0016741800000000, 0.0010774300000000, 0.0005510100000000 ] - [ 0.0002482600000000, 0.0006785400000000, 0.0007864300000000 ] - [ 0.0003123300000000, -0.0007062300000000, 0.0004053800000000 ] - [ -0.0007857200000000, -0.0000065000000000, 0.0006615000000000 ] - [ 0.0000130000000000, 0.0001387800000000, 0.0007174500000000 ] - [ -0.0001596100000000, 0.0004057000000000, 0.0004984000000000 ] - [ 0.0003122900000000, 0.0006956800000000, 0.0022056700000000 ] - [ 0.0009647200000000, -0.0006847200000000, 0.0007497300000000 ] - [ -0.0016022900000000, -0.0003831200000000, -0.0032402900000000 ] - [ -0.0003756200000000, -0.0004060300000000, 0.0006207300000000 ] - [ -0.0001044300000000, -0.0001424700000000, 0.0006367600000000 ] - [ -0.0004283100000000, 0.0000114300000000, 0.0006007400000000 ] - [ 0.0009551600000000, 0.0022521700000000, -0.0002491300000000 ] - [ 0.0010571100000000, -0.0001710200000000, -0.0005970300000000 ] - [ -0.0021700300000000, -0.0034271500000000, -0.0011848400000000 ] - [ 0.0004062400000000, -0.0000675600000000, -0.0006397000000000 ] - [ 0.0007283800000000, 0.0001960700000000, -0.0005385400000000 ] - [ -0.0002613300000000, 0.0004509200000000, -0.0006662800000000 ] - [ -0.0076946100000000, -0.0032247400000000, -0.0032219900000000 ] - [ 0.0021494500000000, 0.0008102000000000, -0.0001319500000000 ] - [ 0.0042217500000000, -0.0007365000000000, -0.0010149800000000 ] - [ 0.0001788100000000, -0.0003883400000000, -0.0006172800000000 ] - [ 0.0005038200000000, -0.0002747300000000, -0.0005870100000000 ] - [ 0.0002386800000000, 0.0000874400000000, -0.0006358000000000 ] - [ -0.0091307100000000, 0.0000000000000000, -0.0039177900000000 ] - [ 0.0040777600000000, 0.0000000000000000, 0.0001659500000000 ] - [ 0.0013308000000000, 0.0000000000000000, 0.0024424900000000 ] - [ -0.0006828800000000, 0.0000000000000000, 0.0003702600000000 ] - [ 0.0002098400000000, 0.0000000000000000, 0.0003519600000000 ] - [ 0.0000075800000000, 0.0000000000000000, 0.0002782000000000 ] - [ -0.0010951700000000, -0.0017667600000000, -0.0005695700000000 ] - [ 0.0016260300000000, -0.0008940800000000, -0.0006101800000000 ] - [ 0.0006742500000000, 0.0022568300000000, 0.0001977000000000 ] - [ -0.0010951700000000, 0.0017667600000000, -0.0005695700000000 ] - [ 0.0016260300000000, 0.0008940800000000, -0.0006101800000000 ] - [ 0.0006742500000000, -0.0022568300000000, 0.0001977000000000 ] - [ -0.0002223200000000, -0.0013648500000000, 0.0003971700000000 ] - [ 0.0011793500000000, 0.0004139100000000, 0.0002906500000000 ] - [ -0.0010990900000000, 0.0009962900000000, 0.0003899500000000 ] - [ -0.0002223200000000, 0.0013648500000000, 0.0003971700000000 ] - [ 0.0011793500000000, -0.0004139100000000, 0.0002906500000000 ] - [ -0.0010990900000000, -0.0009962900000000, 0.0003899500000000 ] - [ 0.0146445000000000, 0.0000000000000000, -0.0010449000000000 ] - [ 0.0062187200000000, 0.0000000000000000, -0.0005227200000000 ] - [ -0.2465923500000000, 0.0000000000000000, -0.0591095500000000 ] - [ 0.0002556600000000, 0.0000000000000000, -0.0004203300000000 ] - [ 0.0005909700000000, 0.0000000000000000, -0.0003135800000000 ] - [ -0.0004052000000000, 0.0000000000000000, -0.0002759600000000 ] - [ 0.2720612400000000, 0.0000000000000000, 0.0603801800000000 ] - [ -0.0064745900000000, 0.0000000000000000, -0.0020535700000000 ] - [ -0.0065283600000000, 0.0000000000000000, -0.0014539000000000 ] - [ 0.0001475800000000, 0.0000000000000000, -0.0000623400000000 ] - [ -0.0005707300000000, 0.0000000000000000, -0.0002066100000000 ] - [ -0.0005557700000000, 0.0000000000000000, -0.0002403000000000 ] - [ 0.0010244400000000, 0.0004689800000000, 0.0003036400000000 ] - [ -0.0008227000000000, 0.0001122600000000, -0.0001073700000000 ] - [ 0.0005745900000000, -0.0004027800000000, 0.0002593800000000 ] - [ 0.0010244400000000, -0.0004689800000000, 0.0003036400000000 ] - [ -0.0008227000000000, -0.0001122600000000, -0.0001073700000000 ] - [ 0.0005745900000000, 0.0004027800000000, 0.0002593800000000 ] - [ 0.0019991500000000, 0.0012604100000000, -0.0010344600000000 ] - [ -0.0019225000000000, 0.0001253000000000, 0.0000846900000000 ] - [ -0.0012602400000000, -0.0011866800000000, 0.0006151600000000 ] - [ -0.0000870600000000, -0.0008555300000000, -0.0000798100000000 ] - [ -0.0005617800000000, -0.0006917900000000, -0.0000015100000000 ] - [ -0.0003255900000000, -0.0004514500000000, 0.0000861700000000 ] - [ -0.0059265200000000, 0.0024808000000000, -0.0020913600000000 ] - [ -0.0017824900000000, -0.0015767000000000, 0.0005393300000000 ] - [ -0.0046602600000000, -0.0115205200000000, 0.0085093800000000 ] - [ 0.0003354700000000, -0.0008839200000000, 0.0000507500000000 ] - [ 0.0000612300000000, -0.0006699700000000, -0.0000017600000000 ] - [ 0.0005836800000000, -0.0004481700000000, -0.0000606700000000 ] - [ -0.0005375800000000, 0.0021733500000000, -0.0008732300000000 ] - [ -0.0012073300000000, 0.0000001300000000, 0.0002908600000000 ] - [ 0.0009024600000000, -0.0006564600000000, 0.0014042000000000 ] - [ -0.0005102900000000, 0.0000620100000000, 0.0002853600000000 ] - [ -0.0006870100000000, 0.0007372700000000, 0.0000175300000000 ] - [ 0.0002282700000000, 0.0012696900000000, -0.0003549500000000 ] - [ 0.0028165400000000, 0.0027849000000000, 0.0000236400000000 ] - [ -0.0008968800000000, 0.0020278900000000, 0.0003592800000000 ] - [ -0.0009636400000000, -0.0015047000000000, -0.0006012800000000 ] - [ 0.0009228400000000, -0.0000805500000000, -0.0004035900000000 ] - [ 0.0000288800000000, 0.0003964700000000, -0.0000786200000000 ] - [ -0.0000049900000000, 0.0014971600000000, 0.0004091200000000 ] - [ 0.0002071200000000, 0.0007600800000000, -0.0000142200000000 ] - [ -0.0017242300000000, -0.0000497700000000, -0.0004539700000000 ] - [ 0.0002156800000000, -0.0012019400000000, -0.0002222100000000 ] - [ 0.0002071200000000, -0.0007600800000000, -0.0000142200000000 ] - [ -0.0017242300000000, 0.0000497700000000, -0.0004539700000000 ] - [ 0.0002156800000000, 0.0012019400000000, -0.0002222100000000 ] - [ -0.0026890200000000, 0.0000000000000000, -0.0003355300000000 ] - [ -0.0032257900000000, 0.0000000000000000, -0.0011826500000000 ] - [ 0.0080855100000000, 0.0000000000000000, 0.0025086900000000 ] - [ 0.0001774900000000, 0.0000000000000000, 0.0001237800000000 ] - [ 0.0000605000000000, 0.0000000000000000, 0.0001264200000000 ] - [ 0.0007548600000000, 0.0000000000000000, 0.0002633600000000 ] - [ -0.0005375800000000, -0.0021733500000000, -0.0008732300000000 ] - [ -0.0012073300000000, -0.0000001300000000, 0.0002908600000000 ] - [ 0.0009024600000000, 0.0006564600000000, 0.0014042000000000 ] - [ -0.0005102900000000, -0.0000620100000000, 0.0002853600000000 ] - [ -0.0006870100000000, -0.0007372700000000, 0.0000175300000000 ] - [ 0.0002282700000000, -0.0012696900000000, -0.0003549500000000 ] - [ 0.0028165400000000, -0.0027849000000000, 0.0000236400000000 ] - [ -0.0008968800000000, -0.0020278900000000, 0.0003592800000000 ] - [ -0.0009636400000000, 0.0015047000000000, -0.0006012800000000 ] - [ 0.0009228400000000, 0.0000805500000000, -0.0004035900000000 ] - [ 0.0000288800000000, -0.0003964700000000, -0.0000786200000000 ] - [ -0.0000049900000000, -0.0014971600000000, 0.0004091200000000 ] - [ 0.0019991500000000, -0.0012604100000000, -0.0010344600000000 ] - [ -0.0019225000000000, -0.0001253000000000, 0.0000846900000000 ] - [ -0.0012602400000000, 0.0011866800000000, 0.0006151600000000 ] - [ -0.0000870600000000, 0.0008555300000000, -0.0000798100000000 ] - [ -0.0005617800000000, 0.0006917900000000, -0.0000015100000000 ] - [ -0.0003255900000000, 0.0004514500000000, 0.0000861700000000 ] - [ -0.0059265200000000, -0.0024808000000000, -0.0020913600000000 ] - [ -0.0017824900000000, 0.0015767000000000, 0.0005393300000000 ] - [ -0.0046602600000000, 0.0115205200000000, 0.0085093800000000 ] - [ 0.0003354700000000, 0.0008839200000000, 0.0000507500000000 ] - [ 0.0000612300000000, 0.0006699700000000, -0.0000017600000000 ] - [ 0.0005836800000000, 0.0004481700000000, -0.0000606700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000290500000000, 0.0005689600000000, 0.0009675800000000 ] - [ -0.0003440600000000, 0.0003810300000000, 0.0006332100000000 ] - [ -0.0005321700000000, 0.0005380500000000, 0.0014498100000000 ] - [ -0.0002926700000000, -0.0001187200000000, 0.0006430000000000 ] - [ -0.0002705600000000, 0.0000165000000000, 0.0006468600000000 ] - [ -0.0002154400000000, -0.0001385500000000, 0.0006540300000000 ] - [ -0.0002836600000000, -0.0002314900000000, 0.0013968700000000 ] - [ -0.0001125700000000, -0.0000465700000000, 0.0006815000000000 ] - [ -0.0004574500000000, -0.0000354800000000, 0.0007208100000000 ] - [ -0.0003213300000000, -0.0006159100000000, 0.0003665500000000 ] - [ -0.0004379600000000, -0.0003770600000000, 0.0006077100000000 ] - [ -0.0002233000000000, -0.0004494900000000, 0.0006136800000000 ] - [ -0.0040316300000000, 0.0171129000000000, -0.0078122800000000 ] - [ 0.0004661300000000, 0.0004255600000000, -0.0006237100000000 ] - [ -0.0007417000000000, 0.0006550100000000, -0.0006187500000000 ] - [ 0.0001800600000000, -0.0003694800000000, -0.0007161000000000 ] - [ 0.0002497300000000, -0.0000138800000000, -0.0006519600000000 ] - [ 0.0002894900000000, -0.0000663700000000, -0.0006579300000000 ] - [ 0.0008176100000000, -0.0001423600000000, -0.0004517200000000 ] - [ 0.0001540600000000, -0.0000226900000000, -0.0006219200000000 ] - [ -0.0006954100000000, -0.0012588400000000, 0.0000051600000000 ] - [ 0.0000869200000000, -0.0006275400000000, -0.0007478800000000 ] - [ 0.0003906900000000, -0.0003781100000000, -0.0006461200000000 ] - [ 0.0006281600000000, -0.0005825100000000, -0.0006457400000000 ] - [ -0.0003059300000000, 0.0001640200000000, -0.0001279700000000 ] - [ -0.0004834000000000, 0.0003460800000000, 0.0005893600000000 ] - [ -0.0001380600000000, 0.0003628400000000, 0.0005539000000000 ] - [ -0.0002689700000000, -0.0002206300000000, 0.0009051200000000 ] - [ -0.0001559900000000, 0.0000147900000000, 0.0006661400000000 ] - [ -0.0003695500000000, -0.0000571600000000, 0.0006600100000000 ] - [ -0.0005632300000000, 0.0001769700000000, 0.0003014200000000 ] - [ -0.0002535000000000, -0.0000067400000000, 0.0006408300000000 ] - [ -0.0000596100000000, 0.0001501100000000, -0.0001625400000000 ] - [ -0.0003024400000000, -0.0005102500000000, 0.0006294600000000 ] - [ -0.0003232800000000, -0.0003768000000000, 0.0006274800000000 ] - [ -0.0003760500000000, -0.0005335100000000, 0.0006188500000000 ] - [ -0.0002283600000000, 0.0002511200000000, -0.0008237900000000 ] - [ 0.0004380600000000, 0.0003726100000000, -0.0006508300000000 ] - [ 0.0013100800000000, -0.0008568800000000, -0.0012835400000000 ] - [ 0.0005030800000000, -0.0002315300000000, -0.0005291600000000 ] - [ 0.0002014900000000, 0.0000145800000000, -0.0006258900000000 ] - [ -0.0000322900000000, -0.0001907400000000, -0.0006283500000000 ] - [ 0.0050570300000000, 0.0174167100000000, 0.0071237600000000 ] - [ 0.0001213300000000, 0.0000331500000000, -0.0006521500000000 ] - [ 0.0013178700000000, 0.0002668900000000, -0.0006501700000000 ] - [ 0.0004127400000000, -0.0007613700000000, -0.0005579000000000 ] - [ 0.0003434100000000, -0.0004066300000000, -0.0006212800000000 ] - [ 0.0003045500000000, -0.0004612500000000, -0.0006153700000000 ] - [ -0.0001737800000000, 0.0041652500000000, 0.0002885400000000 ] - [ -0.0001844200000000, 0.0005985500000000, 0.0002709400000000 ] - [ -0.0001810200000000, 0.0013719900000000, 0.0002613500000000 ] - [ -0.0001794300000000, -0.0008695100000000, 0.0002712500000000 ] - [ -0.0001789600000000, -0.0004903400000000, 0.0002714300000000 ] - [ -0.0001790500000000, -0.0005646500000000, 0.0002698100000000 ] - [ 0.0014895300000000, -0.0033513800000000, -0.0015754700000000 ] - [ 0.0005228200000000, -0.0000925400000000, -0.0002138000000000 ] - [ -0.0005070100000000, -0.0004320700000000, -0.0002978200000000 ] - [ -0.0011336800000000, -0.0033790100000000, 0.0010445900000000 ] - [ -0.0001734200000000, -0.0000926600000000, -0.0003270700000000 ] - [ 0.0008670800000000, -0.0004200400000000, -0.0002460500000000 ] - [ 0.0005473100000000, -0.0002525300000000, 0.0001248900000000 ] - [ -0.0002057100000000, -0.0000385500000000, 0.0001693500000000 ] - [ -0.0006535700000000, -0.0005090800000000, 0.0000668500000000 ] - [ -0.0009110800000000, -0.0002536500000000, 0.0004185300000000 ] - [ -0.0001549300000000, -0.0000338000000000, 0.0003720200000000 ] - [ 0.0003000600000000, -0.0005055200000000, 0.0004773000000000 ] - [ 0.0001581700000000, 0.0053331000000000, -0.0002729100000000 ] - [ 0.0001663400000000, 0.0005173200000000, -0.0002702800000000 ] - [ 0.0008260400000000, 0.0297822300000000, -0.0001333200000000 ] - [ 0.0001786100000000, -0.0008256400000000, -0.0002708300000000 ] - [ 0.0001794900000000, -0.0004681600000000, -0.0002701600000000 ] - [ 0.0001803600000000, -0.0008833000000000, -0.0002690500000000 ] - [ -0.0013980900000000, -0.0644363200000000, -0.0009819000000000 ] - [ -0.0004307100000000, -0.0005869600000000, -0.0001896200000000 ] - [ -0.0004249900000000, -0.0005900700000000, -0.0001913500000000 ] - [ -0.0004423100000000, 0.0004227700000000, -0.0001950400000000 ] - [ -0.0004398900000000, 0.0002050400000000, -0.0001943900000000 ] - [ -0.0004418900000000, 0.0002074300000000, -0.0001950400000000 ] - [ -0.0000295500000000, 0.0002074900000000, 0.0000599100000000 ] - [ 0.0003213400000000, 0.0000137300000000, 0.0002021500000000 ] - [ 0.0008620900000000, 0.0000753200000000, 0.0003251800000000 ] - [ 0.0009119400000000, 0.0002069700000000, 0.0003280400000000 ] - [ 0.0005639300000000, 0.0000149500000000, 0.0001877200000000 ] - [ 0.0000194600000000, 0.0000728400000000, 0.0000629500000000 ] - [ -0.0005135600000000, -0.0023914800000000, -0.0036139100000000 ] - [ -0.0003852800000000, -0.0010103000000000, -0.0001273300000000 ] - [ 0.0001684900000000, -0.0013915300000000, -0.0007289000000000 ] - [ -0.0004138700000000, 0.0000914800000000, 0.0004074200000000 ] - [ -0.0003643900000000, -0.0002390200000000, 0.0002257300000000 ] - [ -0.0004543000000000, -0.0001506400000000, 0.0002570600000000 ] - [ -0.0029144800000000, -0.0023979800000000, 0.0001272200000000 ] - [ 0.0003277700000000, -0.0009906800000000, 0.0000733600000000 ] - [ 0.0123355600000000, -0.0039950600000000, 0.0043865800000000 ] - [ 0.0005291100000000, 0.0000716900000000, -0.0002974800000000 ] - [ 0.0003853100000000, -0.0002482000000000, -0.0002113900000000 ] - [ 0.0003393200000000, 0.0000418100000000, -0.0003194300000000 ] - [ -0.0006561800000000, 0.0004437800000000, -0.0000163000000000 ] - [ -0.0002769700000000, 0.0004404400000000, 0.0000962200000000 ] - [ 0.0000287000000000, 0.0007429200000000, -0.0002668100000000 ] - [ -0.0001435200000000, 0.0010586400000000, -0.0000493300000000 ] - [ -0.0004038400000000, 0.0008050400000000, 0.0000327800000000 ] - [ -0.0004808200000000, 0.0010442500000000, -0.0000165700000000 ] - [ -0.0004041300000000, 0.0057587200000000, -0.0002739600000000 ] - [ 0.0000866300000000, 0.0005152400000000, -0.0001039100000000 ] - [ 0.0008501700000000, 0.0007312000000000, -0.0000922600000000 ] - [ 0.0001584000000000, 0.0021799600000000, 0.0004853000000000 ] - [ 0.0005141900000000, 0.0008470300000000, 0.0000003000000000 ] - [ 0.0001615300000000, 0.0010566100000000, 0.0001208100000000 ] - [ -0.0016306200000000, 0.0003889500000000, -0.0002909600000000 ] - [ -0.0004827300000000, 0.0000290300000000, -0.0002340100000000 ] - [ 0.0003170000000000, 0.0003934600000000, -0.0000028600000000 ] - [ 0.0007531200000000, 0.0003920700000000, -0.0000985800000000 ] - [ -0.0003944000000000, 0.0000259600000000, -0.0001555200000000 ] - [ -0.0012026100000000, 0.0003888700000000, -0.0003849500000000 ] - [ 0.0004442000000000, -0.0004261600000000, 0.0001956200000000 ] - [ 0.0004494400000000, -0.0002748600000000, 0.0001990000000000 ] - [ 0.0004319700000000, -0.0008621000000000, 0.0001883000000000 ] - [ 0.0004392400000000, 0.0002353400000000, 0.0001938800000000 ] - [ 0.0004408600000000, 0.0001626600000000, 0.0001936400000000 ] - [ 0.0004406000000000, 0.0002830200000000, 0.0001949000000000 ] - [ -0.0000609300000000, -0.0007524900000000, 0.0001822000000000 ] - [ -0.0004387600000000, -0.0007601900000000, 0.0000655000000000 ] - [ -0.0007517000000000, -0.0004598100000000, 0.0004238200000000 ] - [ -0.0005715700000000, -0.0001410000000000, 0.0002125300000000 ] - [ -0.0003144900000000, -0.0003890500000000, 0.0001319300000000 ] - [ -0.0002399900000000, -0.0001490300000000, 0.0001814600000000 ] - [ 0.0011251300000000, 0.0046106200000000, 0.0001230100000000 ] - [ 0.0006371900000000, -0.0006818100000000, -0.0000586900000000 ] - [ -0.0001278400000000, -0.0004783700000000, -0.0000676200000000 ] - [ 0.0005552300000000, 0.0009714400000000, -0.0006436600000000 ] - [ 0.0002072700000000, -0.0003483200000000, -0.0001630600000000 ] - [ 0.0005583900000000, -0.0001348400000000, -0.0002865300000000 ] - [ -0.0002128100000000, -0.0012086300000000, 0.0037751200000000 ] - [ -0.0003279400000000, 0.0001852700000000, 0.0002899600000000 ] - [ -0.0008866000000000, -0.0002047300000000, 0.0008960000000000 ] - [ -0.0003031000000000, 0.0012873500000000, -0.0002434300000000 ] - [ -0.0003518400000000, 0.0009598000000000, -0.0000635500000000 ] - [ -0.0002657400000000, 0.0010445100000000, -0.0000917900000000 ] - [ 0.0036468200000000, -0.0012022600000000, -0.0002821000000000 ] - [ 0.0003973100000000, 0.0001987900000000, -0.0002396700000000 ] - [ -0.0117507100000000, -0.0028470900000000, -0.0045328300000000 ] - [ 0.0001897100000000, 0.0012662900000000, 0.0001362900000000 ] - [ 0.0003336600000000, 0.0009468100000000, 0.0000480600000000 ] - [ 0.0003794800000000, 0.0012380100000000, 0.0001546200000000 ]- atom: 73 displacement: [ -0.0011198651297129, 0.0000000000000000, 0.0099370972668709 ] forces: - [ -0.0007552700000000, 0.0003150300000000, 0.0002208400000000 ] - [ -0.0004779000000000, -0.0000254700000000, 0.0005563600000000 ] - [ 0.0004520700000000, 0.0004995500000000, -0.0000528400000000 ] - [ -0.0003031900000000, 0.0001636600000000, 0.0006114600000000 ] - [ -0.0003231500000000, 0.0001992600000000, 0.0006036500000000 ] - [ -0.0002937900000000, 0.0002061500000000, 0.0006043800000000 ] - [ -0.0001192400000000, 0.0002214100000000, 0.0004399500000000 ] - [ -0.0004114200000000, -0.0002005000000000, 0.0005781500000000 ] - [ -0.0003357000000000, -0.0004024500000000, 0.0005135300000000 ] - [ -0.0002382100000000, -0.0002082200000000, 0.0005858800000000 ] - [ -0.0003541700000000, -0.0001730200000000, 0.0005967900000000 ] - [ -0.0003074900000000, -0.0001526100000000, 0.0005999300000000 ] - [ 0.0025708700000000, -0.0056979800000000, 0.0073494200000000 ] - [ 0.0000123700000000, 0.0001671200000000, -0.0006581300000000 ] - [ 0.0006192900000000, -0.0002837800000000, -0.0005990300000000 ] - [ 0.0003077600000000, 0.0001456500000000, -0.0006217100000000 ] - [ 0.0002788900000000, 0.0001894400000000, -0.0006174700000000 ] - [ 0.0003135200000000, 0.0001986200000000, -0.0006161600000000 ] - [ 0.0001623200000000, 0.0000469300000000, -0.0006372100000000 ] - [ 0.0003046800000000, -0.0003307500000000, -0.0006333100000000 ] - [ 0.0004316500000000, 0.0000652100000000, -0.0007242300000000 ] - [ 0.0002665900000000, -0.0002179800000000, -0.0006207500000000 ] - [ 0.0002835100000000, -0.0001748100000000, -0.0006280000000000 ] - [ 0.0003781100000000, -0.0001802500000000, -0.0006370200000000 ] - [ -0.0001192400000000, -0.0002214100000000, 0.0004399500000000 ] - [ -0.0004114200000000, 0.0002005000000000, 0.0005781500000000 ] - [ -0.0003357000000000, 0.0004024500000000, 0.0005135300000000 ] - [ -0.0002382100000000, 0.0002082200000000, 0.0005858800000000 ] - [ -0.0003541700000000, 0.0001730200000000, 0.0005967900000000 ] - [ -0.0003074900000000, 0.0001526100000000, 0.0005999300000000 ] - [ -0.0007552700000000, -0.0003150300000000, 0.0002208400000000 ] - [ -0.0004779000000000, 0.0000254700000000, 0.0005563600000000 ] - [ 0.0004520700000000, -0.0004995500000000, -0.0000528400000000 ] - [ -0.0003031900000000, -0.0001636600000000, 0.0006114600000000 ] - [ -0.0003231500000000, -0.0001992600000000, 0.0006036500000000 ] - [ -0.0002937900000000, -0.0002061500000000, 0.0006043800000000 ] - [ 0.0001623200000000, -0.0000469300000000, -0.0006372100000000 ] - [ 0.0003046800000000, 0.0003307500000000, -0.0006333100000000 ] - [ 0.0004316500000000, -0.0000652100000000, -0.0007242300000000 ] - [ 0.0002665900000000, 0.0002179800000000, -0.0006207500000000 ] - [ 0.0002835100000000, 0.0001748100000000, -0.0006280000000000 ] - [ 0.0003781100000000, 0.0001802500000000, -0.0006370200000000 ] - [ 0.0025708700000000, 0.0056979800000000, 0.0073494200000000 ] - [ 0.0000123700000000, -0.0001671200000000, -0.0006581300000000 ] - [ 0.0006192900000000, 0.0002837800000000, -0.0005990300000000 ] - [ 0.0003077600000000, -0.0001456500000000, -0.0006217100000000 ] - [ 0.0002788900000000, -0.0001894400000000, -0.0006174700000000 ] - [ 0.0003135200000000, -0.0001986200000000, -0.0006161600000000 ] - [ 0.0012279200000000, 0.0000000000000000, -0.0100231800000000 ] - [ -0.0006067100000000, 0.0000000000000000, 0.0003665800000000 ] - [ -0.0003500400000000, 0.0000000000000000, -0.0012165700000000 ] - [ -0.0000764000000000, 0.0000000000000000, 0.0003404300000000 ] - [ -0.0002164600000000, 0.0000000000000000, 0.0003438100000000 ] - [ -0.0001534700000000, 0.0000000000000000, 0.0003593800000000 ] - [ 0.0001133600000000, 0.0002724300000000, 0.0000463000000000 ] - [ -0.0000316700000000, 0.0000155000000000, -0.0003167700000000 ] - [ 0.0001963400000000, -0.0000105800000000, -0.0002453700000000 ] - [ 0.0001133600000000, -0.0002724300000000, 0.0000463000000000 ] - [ -0.0000316700000000, -0.0000155000000000, -0.0003167700000000 ] - [ 0.0001963400000000, 0.0000105800000000, -0.0002453700000000 ] - [ -0.0002095400000000, 0.0001607300000000, 0.0002932000000000 ] - [ -0.0003081400000000, -0.0001844500000000, 0.0003887300000000 ] - [ -0.0000317400000000, -0.0002153600000000, 0.0002347300000000 ] - [ -0.0002095400000000, -0.0001607300000000, 0.0002932000000000 ] - [ -0.0003081400000000, 0.0001844500000000, 0.0003887300000000 ] - [ -0.0000317400000000, 0.0002153600000000, 0.0002347300000000 ] - [ -0.0013163100000000, 0.0000000000000000, 0.0022388800000000 ] - [ -0.0008380200000000, 0.0000000000000000, -0.0003766700000000 ] - [ 0.0394770700000000, 0.0000000000000000, 0.0402050400000000 ] - [ 0.0001163400000000, 0.0000000000000000, -0.0003219500000000 ] - [ 0.0001189700000000, 0.0000000000000000, -0.0003365000000000 ] - [ 0.0002306200000000, 0.0000000000000000, -0.0003364400000000 ] - [ -0.0287384700000000, 0.0000000000000000, -0.0436449400000000 ] - [ 0.0002593500000000, 0.0000000000000000, -0.0003533600000000 ] - [ 0.0008733900000000, 0.0000000000000000, -0.0002834900000000 ] - [ -0.0003742000000000, 0.0000000000000000, -0.0001880300000000 ] - [ -0.0002861600000000, 0.0000000000000000, -0.0001717300000000 ] - [ -0.0003131800000000, 0.0000000000000000, -0.0001706100000000 ] - [ 0.0002665000000000, -0.0000821700000000, 0.0002005400000000 ] - [ 0.0004719700000000, 0.0000083900000000, 0.0002031800000000 ] - [ 0.0002459800000000, 0.0001067700000000, 0.0001769400000000 ] - [ 0.0002665000000000, 0.0000821700000000, 0.0002005400000000 ] - [ 0.0004719700000000, -0.0000083900000000, 0.0002031800000000 ] - [ 0.0002459800000000, -0.0001067700000000, 0.0001769400000000 ] - [ 0.0006170400000000, -0.0006292500000000, 0.0072525000000000 ] - [ -0.0000922300000000, -0.0006347700000000, 0.0000282100000000 ] - [ -0.0005360700000000, -0.0002296200000000, 0.0007252100000000 ] - [ -0.0003554200000000, -0.0006459700000000, 0.0000175500000000 ] - [ -0.0002934900000000, -0.0006832100000000, 0.0000062800000000 ] - [ -0.0003119400000000, -0.0006918900000000, -0.0000017800000000 ] - [ 0.0020557000000000, -0.0010437700000000, -0.0008290800000000 ] - [ 0.0006077300000000, -0.0003464100000000, -0.0000929100000000 ] - [ -0.0100559200000000, 0.0006491700000000, -0.0086077400000000 ] - [ 0.0003385500000000, -0.0006408100000000, -0.0000131400000000 ] - [ 0.0003497500000000, -0.0006777300000000, 0.0000034200000000 ] - [ 0.0002861100000000, -0.0006945500000000, 0.0000267200000000 ] - [ -0.0001952400000000, 0.0005010700000000, 0.0001095200000000 ] - [ -0.0002034300000000, 0.0009228900000000, -0.0000497500000000 ] - [ -0.0005247800000000, 0.0008663600000000, 0.0000675800000000 ] - [ -0.0002757700000000, 0.0007288500000000, -0.0000202200000000 ] - [ -0.0003132800000000, 0.0006103600000000, 0.0000327100000000 ] - [ -0.0004046800000000, 0.0005973200000000, 0.0000903500000000 ] - [ 0.0001890700000000, -0.0004466100000000, -0.0007445500000000 ] - [ 0.0005007700000000, 0.0005981400000000, -0.0000174100000000 ] - [ 0.0000703300000000, 0.0006817700000000, 0.0000665500000000 ] - [ 0.0002475200000000, 0.0008846400000000, 0.0000473600000000 ] - [ 0.0003727300000000, 0.0006618600000000, -0.0000001500000000 ] - [ 0.0003273600000000, 0.0006423700000000, -0.0000200800000000 ] - [ -0.0002022900000000, -0.0001008600000000, -0.0002160800000000 ] - [ -0.0002075900000000, 0.0000313800000000, -0.0001532900000000 ] - [ -0.0004013600000000, -0.0000346800000000, -0.0002381000000000 ] - [ -0.0002022900000000, 0.0001008600000000, -0.0002160800000000 ] - [ -0.0002075900000000, -0.0000313800000000, -0.0001532900000000 ] - [ -0.0004013600000000, 0.0000346800000000, -0.0002381000000000 ] - [ 0.0004948900000000, 0.0000000000000000, 0.0004937500000000 ] - [ 0.0012216500000000, 0.0000000000000000, 0.0007711700000000 ] - [ -0.0012322100000000, 0.0000000000000000, 0.0024660900000000 ] - [ 0.0003732300000000, 0.0000000000000000, 0.0001895500000000 ] - [ 0.0003398800000000, 0.0000000000000000, 0.0001710100000000 ] - [ 0.0002395900000000, 0.0000000000000000, 0.0001464600000000 ] - [ -0.0001952400000000, -0.0005010700000000, 0.0001095200000000 ] - [ -0.0002034300000000, -0.0009228900000000, -0.0000497500000000 ] - [ -0.0005247800000000, -0.0008663600000000, 0.0000675800000000 ] - [ -0.0002757700000000, -0.0007288500000000, -0.0000202200000000 ] - [ -0.0003132800000000, -0.0006103600000000, 0.0000327100000000 ] - [ -0.0004046800000000, -0.0005973200000000, 0.0000903500000000 ] - [ 0.0001890700000000, 0.0004466100000000, -0.0007445500000000 ] - [ 0.0005007700000000, -0.0005981400000000, -0.0000174100000000 ] - [ 0.0000703300000000, -0.0006817700000000, 0.0000665500000000 ] - [ 0.0002475200000000, -0.0008846400000000, 0.0000473600000000 ] - [ 0.0003727300000000, -0.0006618600000000, -0.0000001500000000 ] - [ 0.0003273600000000, -0.0006423700000000, -0.0000200800000000 ] - [ 0.0006170400000000, 0.0006292500000000, 0.0072525000000000 ] - [ -0.0000922300000000, 0.0006347700000000, 0.0000282100000000 ] - [ -0.0005360700000000, 0.0002296200000000, 0.0007252100000000 ] - [ -0.0003554200000000, 0.0006459700000000, 0.0000175500000000 ] - [ -0.0002934900000000, 0.0006832100000000, 0.0000062800000000 ] - [ -0.0003119400000000, 0.0006918900000000, -0.0000017800000000 ] - [ 0.0020557000000000, 0.0010437700000000, -0.0008290800000000 ] - [ 0.0006077300000000, 0.0003464100000000, -0.0000929100000000 ] - [ -0.0100559200000000, -0.0006491700000000, -0.0086077400000000 ] - [ 0.0003385500000000, 0.0006408100000000, -0.0000131400000000 ] - [ 0.0003497500000000, 0.0006777300000000, 0.0000034200000000 ] - [ 0.0002861100000000, 0.0006945500000000, 0.0000267200000000 ]- atom: 73 displacement: [ 0.0011198651297129, 0.0000000000000000, -0.0099370972668709 ] forces: - [ 0.0001455200000000, 0.0000698400000000, 0.0010304500000000 ] - [ -0.0001318900000000, 0.0004065200000000, 0.0006811300000000 ] - [ -0.0010318100000000, -0.0001098900000000, 0.0013189200000000 ] - [ -0.0002922900000000, 0.0002241000000000, 0.0006405000000000 ] - [ -0.0002744300000000, 0.0001805400000000, 0.0006416000000000 ] - [ -0.0003123400000000, 0.0001717800000000, 0.0006404000000000 ] - [ -0.0004724000000000, -0.0005866900000000, 0.0008115200000000 ] - [ -0.0001878900000000, -0.0001823900000000, 0.0006677900000000 ] - [ -0.0002649300000000, 0.0000136800000000, 0.0007293200000000 ] - [ -0.0003534700000000, -0.0001712300000000, 0.0006641200000000 ] - [ -0.0002461200000000, -0.0002090200000000, 0.0006498900000000 ] - [ -0.0002954600000000, -0.0002289800000000, 0.0006470000000000 ] - [ -0.0018176000000000, 0.0058172000000000, -0.0085328400000000 ] - [ 0.0005778800000000, 0.0002184200000000, -0.0005907400000000 ] - [ -0.0000423900000000, 0.0006685300000000, -0.0006545400000000 ] - [ 0.0002937000000000, 0.0002377700000000, -0.0006274000000000 ] - [ 0.0003171800000000, 0.0001994600000000, -0.0006321600000000 ] - [ 0.0002829300000000, 0.0001820900000000, -0.0006328200000000 ] - [ 0.0004418300000000, -0.0004236100000000, -0.0006039600000000 ] - [ 0.0002901700000000, -0.0000528800000000, -0.0006194100000000 ] - [ 0.0001775400000000, -0.0004618900000000, -0.0005184300000000 ] - [ 0.0003334300000000, -0.0001622400000000, -0.0006257000000000 ] - [ 0.0003127200000000, -0.0002062500000000, -0.0006183200000000 ] - [ 0.0002237500000000, -0.0002024500000000, -0.0006115800000000 ] - [ -0.0004724000000000, 0.0005866900000000, 0.0008115200000000 ] - [ -0.0001878900000000, 0.0001823900000000, 0.0006677900000000 ] - [ -0.0002649300000000, -0.0000136800000000, 0.0007293200000000 ] - [ -0.0003534700000000, 0.0001712300000000, 0.0006641200000000 ] - [ -0.0002461200000000, 0.0002090200000000, 0.0006498900000000 ] - [ -0.0002954600000000, 0.0002289800000000, 0.0006470000000000 ] - [ 0.0001455200000000, -0.0000698400000000, 0.0010304500000000 ] - [ -0.0001318900000000, -0.0004065200000000, 0.0006811300000000 ] - [ -0.0010318100000000, 0.0001098900000000, 0.0013189200000000 ] - [ -0.0002922900000000, -0.0002241000000000, 0.0006405000000000 ] - [ -0.0002744300000000, -0.0001805400000000, 0.0006416000000000 ] - [ -0.0003123400000000, -0.0001717800000000, 0.0006404000000000 ] - [ 0.0004418300000000, 0.0004236100000000, -0.0006039600000000 ] - [ 0.0002901700000000, 0.0000528800000000, -0.0006194100000000 ] - [ 0.0001775400000000, 0.0004618900000000, -0.0005184300000000 ] - [ 0.0003334300000000, 0.0001622400000000, -0.0006257000000000 ] - [ 0.0003127200000000, 0.0002062500000000, -0.0006183200000000 ] - [ 0.0002237500000000, 0.0002024500000000, -0.0006115800000000 ] - [ -0.0018176000000000, -0.0058172000000000, -0.0085328400000000 ] - [ 0.0005778800000000, -0.0002184200000000, -0.0005907400000000 ] - [ -0.0000423900000000, -0.0006685300000000, -0.0006545400000000 ] - [ 0.0002937000000000, -0.0002377700000000, -0.0006274000000000 ] - [ 0.0003171800000000, -0.0001994600000000, -0.0006321600000000 ] - [ 0.0002829300000000, -0.0001820900000000, -0.0006328200000000 ] - [ -0.0015471200000000, 0.0000000000000000, 0.0106426200000000 ] - [ 0.0002492700000000, 0.0000000000000000, 0.0002464800000000 ] - [ 0.0000296200000000, 0.0000000000000000, 0.0018488600000000 ] - [ -0.0002405800000000, 0.0000000000000000, 0.0002763000000000 ] - [ -0.0001279900000000, 0.0000000000000000, 0.0002657500000000 ] - [ -0.0001900300000000, 0.0000000000000000, 0.0002626700000000 ] - [ 0.0002276900000000, -0.0002728500000000, -0.0006679100000000 ] - [ 0.0003705700000000, -0.0000134600000000, -0.0002973900000000 ] - [ 0.0001315200000000, 0.0000009500000000, -0.0003727300000000 ] - [ 0.0002276900000000, 0.0002728500000000, -0.0006679100000000 ] - [ 0.0003705700000000, 0.0000134600000000, -0.0002973900000000 ] - [ 0.0001315200000000, -0.0000009500000000, -0.0003727300000000 ] - [ -0.0001302600000000, -0.0001522600000000, 0.0003181300000000 ] - [ -0.0000336100000000, 0.0001723300000000, 0.0002333700000000 ] - [ -0.0002994000000000, 0.0002154200000000, 0.0003879800000000 ] - [ -0.0001302600000000, 0.0001522600000000, 0.0003181300000000 ] - [ -0.0000336100000000, -0.0001723300000000, 0.0002333700000000 ] - [ -0.0002994000000000, -0.0002154200000000, 0.0003879800000000 ] - [ 0.0016385100000000, 0.0000000000000000, -0.0028480400000000 ] - [ 0.0011595400000000, 0.0000000000000000, -0.0002300900000000 ] - [ -0.0382607000000000, 0.0000000000000000, -0.0403778200000000 ] - [ 0.0002257200000000, 0.0000000000000000, -0.0002855900000000 ] - [ 0.0002084200000000, 0.0000000000000000, -0.0002706200000000 ] - [ 0.0001105800000000, 0.0000000000000000, -0.0002859800000000 ] - [ 0.0267554200000000, 0.0000000000000000, 0.0427159800000000 ] - [ -0.0010260900000000, 0.0000000000000000, -0.0000154400000000 ] - [ -0.0016367400000000, 0.0000000000000000, -0.0000829500000000 ] - [ -0.0003910700000000, 0.0000000000000000, -0.0001747900000000 ] - [ -0.0004909300000000, 0.0000000000000000, -0.0001994500000000 ] - [ -0.0004486300000000, 0.0000000000000000, -0.0001926800000000 ] - [ 0.0005017300000000, 0.0000792900000000, 0.0001643800000000 ] - [ 0.0002969500000000, -0.0000185200000000, 0.0001656800000000 ] - [ 0.0005092600000000, -0.0000813900000000, 0.0001825000000000 ] - [ 0.0005017300000000, -0.0000792900000000, 0.0001643800000000 ] - [ 0.0002969500000000, 0.0000185200000000, 0.0001656800000000 ] - [ 0.0005092600000000, 0.0000813900000000, 0.0001825000000000 ] - [ -0.0012850100000000, -0.0006902800000000, -0.0071575100000000 ] - [ -0.0005691400000000, -0.0006339500000000, 0.0000598400000000 ] - [ -0.0001362800000000, -0.0010718500000000, -0.0006532100000000 ] - [ -0.0003358400000000, -0.0006219200000000, 0.0000628000000000 ] - [ -0.0003901200000000, -0.0005867200000000, 0.0000830900000000 ] - [ -0.0003477700000000, -0.0005768900000000, 0.0000791900000000 ] - [ -0.0013555500000000, -0.0002409800000000, 0.0007445300000000 ] - [ 0.0000847700000000, -0.0009133300000000, 0.0000185700000000 ] - [ 0.0107311000000000, -0.0019579000000000, 0.0084943700000000 ] - [ 0.0003410500000000, -0.0006297700000000, -0.0000761600000000 ] - [ 0.0003401700000000, -0.0005911100000000, -0.0000865800000000 ] - [ 0.0003904500000000, -0.0005881400000000, -0.0000886600000000 ] - [ -0.0004887100000000, 0.0007604300000000, -0.0000330200000000 ] - [ -0.0004530200000000, 0.0003717800000000, 0.0001319500000000 ] - [ -0.0001642700000000, 0.0004170700000000, 0.0000001500000000 ] - [ -0.0003981800000000, 0.0005349500000000, 0.0000999900000000 ] - [ -0.0003748600000000, 0.0006599700000000, 0.0000476400000000 ] - [ -0.0002810400000000, 0.0006953100000000, -0.0000160500000000 ] - [ 0.0004795300000000, 0.0017178800000000, 0.0006583000000000 ] - [ 0.0001722200000000, 0.0006628400000000, -0.0000687900000000 ] - [ 0.0006228000000000, 0.0005964300000000, -0.0001267300000000 ] - [ 0.0004288200000000, 0.0003909700000000, -0.0001260800000000 ] - [ 0.0003052900000000, 0.0006028000000000, -0.0000760900000000 ] - [ 0.0003560400000000, 0.0006279000000000, -0.0000685000000000 ] - [ -0.0005614300000000, 0.0001044500000000, -0.0001442300000000 ] - [ -0.0005635300000000, -0.0000377300000000, -0.0002163800000000 ] - [ -0.0003578800000000, 0.0000372200000000, -0.0001233500000000 ] - [ -0.0005614300000000, -0.0001044500000000, -0.0001442300000000 ] - [ -0.0005635300000000, 0.0000377300000000, -0.0002163800000000 ] - [ -0.0003578800000000, -0.0000372200000000, -0.0001233500000000 ] - [ 0.0002937100000000, 0.0000000000000000, -0.0001212000000000 ] - [ -0.0004724100000000, 0.0000000000000000, -0.0004140200000000 ] - [ 0.0019468200000000, 0.0000000000000000, -0.0021205700000000 ] - [ 0.0004112900000000, 0.0000000000000000, 0.0001866300000000 ] - [ 0.0004313000000000, 0.0000000000000000, 0.0001950400000000 ] - [ 0.0004966600000000, 0.0000000000000000, 0.0002032200000000 ] - [ -0.0004887100000000, -0.0007604300000000, -0.0000330200000000 ] - [ -0.0004530200000000, -0.0003717800000000, 0.0001319500000000 ] - [ -0.0001642700000000, -0.0004170700000000, 0.0000001500000000 ] - [ -0.0003981800000000, -0.0005349500000000, 0.0000999900000000 ] - [ -0.0003748600000000, -0.0006599700000000, 0.0000476400000000 ] - [ -0.0002810400000000, -0.0006953100000000, -0.0000160500000000 ] - [ 0.0004795300000000, -0.0017178800000000, 0.0006583000000000 ] - [ 0.0001722200000000, -0.0006628400000000, -0.0000687900000000 ] - [ 0.0006228000000000, -0.0005964300000000, -0.0001267300000000 ] - [ 0.0004288200000000, -0.0003909700000000, -0.0001260800000000 ] - [ 0.0003052900000000, -0.0006028000000000, -0.0000760900000000 ] - [ 0.0003560400000000, -0.0006279000000000, -0.0000685000000000 ] - [ -0.0012850100000000, 0.0006902800000000, -0.0071575100000000 ] - [ -0.0005691400000000, 0.0006339500000000, 0.0000598400000000 ] - [ -0.0001362800000000, 0.0010718500000000, -0.0006532100000000 ] - [ -0.0003358400000000, 0.0006219200000000, 0.0000628000000000 ] - [ -0.0003901200000000, 0.0005867200000000, 0.0000830900000000 ] - [ -0.0003477700000000, 0.0005768900000000, 0.0000791900000000 ] - [ -0.0013555500000000, 0.0002409800000000, 0.0007445300000000 ] - [ 0.0000847700000000, 0.0009133300000000, 0.0000185700000000 ] - [ 0.0107311000000000, 0.0019579000000000, 0.0084943700000000 ] - [ 0.0003410500000000, 0.0006297700000000, -0.0000761600000000 ] - [ 0.0003401700000000, 0.0005911100000000, -0.0000865800000000 ] - [ 0.0003904500000000, 0.0005881400000000, -0.0000886600000000 ]- atom: 85 displacement: [ 0.0099959935686070, 0.0000000000000000, 0.0002830416512950 ] forces: - [ 0.0156428000000000, 0.0008536100000000, 0.0013773500000000 ] - [ -0.0011785300000000, 0.0000331500000000, 0.0005956100000000 ] - [ -0.0050783700000000, -0.0005596100000000, -0.0001985800000000 ] - [ -0.0002240100000000, 0.0002415900000000, 0.0006421400000000 ] - [ -0.0004075600000000, 0.0001930500000000, 0.0006247100000000 ] - [ -0.0003147500000000, 0.0003220600000000, 0.0006407800000000 ] - [ 0.0067329100000000, 0.0047257600000000, 0.0011755200000000 ] - [ -0.0012243700000000, 0.0002184800000000, 0.0007392200000000 ] - [ -0.0009623200000000, -0.0003285900000000, 0.0005150200000000 ] - [ -0.0001353400000000, -0.0001070700000000, 0.0006684500000000 ] - [ -0.0003013900000000, -0.0001672800000000, 0.0006155500000000 ] - [ -0.0004446100000000, -0.0000826300000000, 0.0006181900000000 ] - [ 0.0059459200000000, -0.0002095200000000, 0.0004009400000000 ] - [ -0.0004306200000000, 0.0003211300000000, -0.0004539000000000 ] - [ -0.0004525100000000, 0.0001430200000000, -0.0008165500000000 ] - [ 0.0004339900000000, 0.0002595700000000, -0.0006151700000000 ] - [ 0.0002486000000000, 0.0001959800000000, -0.0006375400000000 ] - [ 0.0002667300000000, 0.0002731100000000, -0.0006527300000000 ] - [ -0.0001070900000000, 0.0008264000000000, 0.0002144900000000 ] - [ -0.0001379400000000, -0.0002386700000000, -0.0006946700000000 ] - [ 0.0003489600000000, -0.0012117500000000, -0.0015268000000000 ] - [ 0.0003971000000000, -0.0001209700000000, -0.0006092600000000 ] - [ 0.0001504800000000, -0.0001868200000000, -0.0006616300000000 ] - [ 0.0003488700000000, -0.0000697500000000, -0.0006942200000000 ] - [ -0.0002277200000000, 0.0008565300000000, 0.0005770300000000 ] - [ -0.0002451900000000, -0.0004056600000000, 0.0006769600000000 ] - [ -0.0006281100000000, 0.0004736900000000, 0.0005649000000000 ] - [ 0.0003945300000000, 0.0003990100000000, 0.0008318000000000 ] - [ -0.0006911700000000, 0.0004244500000000, 0.0006090900000000 ] - [ -0.0006388500000000, -0.0000501500000000, 0.0005327200000000 ] - [ 0.0006688400000000, -0.0022637500000000, 0.0004186900000000 ] - [ -0.0011276600000000, -0.0001248100000000, 0.0005695200000000 ] - [ -0.0010017700000000, 0.0014436500000000, -0.0007843600000000 ] - [ -0.0001213800000000, 0.0002333400000000, 0.0007153600000000 ] - [ -0.0004412600000000, -0.0001069100000000, 0.0006262500000000 ] - [ -0.0003369100000000, -0.0004719500000000, 0.0005876900000000 ] - [ 0.0004081900000000, -0.0003929100000000, -0.0007090200000000 ] - [ 0.0000287800000000, 0.0001512400000000, -0.0006665500000000 ] - [ 0.0004364300000000, 0.0006784500000000, -0.0007027400000000 ] - [ 0.0003976400000000, 0.0004371600000000, -0.0003328600000000 ] - [ 0.0000064800000000, 0.0002922600000000, -0.0006830000000000 ] - [ 0.0005287400000000, 0.0000004600000000, -0.0008508900000000 ] - [ 0.0017123500000000, -0.0002365300000000, -0.0010303000000000 ] - [ -0.0001219400000000, -0.0005963200000000, -0.0004733600000000 ] - [ -0.0002429600000000, -0.0000901700000000, -0.0008762400000000 ] - [ 0.0004777800000000, -0.0000892000000000, -0.0006091000000000 ] - [ 0.0001785600000000, 0.0000079000000000, -0.0006498900000000 ] - [ 0.0002482400000000, -0.0002965100000000, -0.0006658100000000 ] - [ 0.0417383700000000, -0.0372501000000000, -0.0305375900000000 ] - [ -0.0042344600000000, -0.0002835400000000, 0.0007423500000000 ] - [ -0.0034086600000000, -0.0001082200000000, 0.0001857800000000 ] - [ 0.0002249600000000, 0.0002057700000000, 0.0002420300000000 ] - [ -0.0003100300000000, 0.0002862700000000, 0.0002231300000000 ] - [ -0.0004350600000000, -0.0000493000000000, 0.0003298200000000 ] - [ 0.0018923300000000, -0.0000376400000000, -0.0002345400000000 ] - [ -0.0006500400000000, 0.0007203600000000, -0.0002729900000000 ] - [ -0.0006164200000000, -0.0004273100000000, -0.0002949600000000 ] - [ 0.0008770600000000, 0.0002892800000000, -0.0002488300000000 ] - [ -0.0000789200000000, -0.0003977000000000, -0.0001769700000000 ] - [ -0.0002421100000000, 0.0003243400000000, -0.0002705600000000 ] - [ 0.0012624500000000, 0.0044936500000000, -0.0012969200000000 ] - [ -0.0015182700000000, 0.0000844400000000, 0.0003192500000000 ] - [ -0.0006364500000000, -0.0029930400000000, 0.0018656100000000 ] - [ 0.0005016700000000, -0.0001843100000000, 0.0002256300000000 ] - [ -0.0006973200000000, -0.0000753100000000, 0.0002502700000000 ] - [ -0.0003623500000000, 0.0009392900000000, 0.0004666300000000 ] - [ -0.0002666200000000, -0.0035495400000000, 0.0005279300000000 ] - [ -0.0016016000000000, -0.0001226500000000, -0.0004425300000000 ] - [ 0.0005859500000000, 0.0011001300000000, -0.0002921100000000 ] - [ 0.0002854200000000, 0.0003015600000000, -0.0002597000000000 ] - [ -0.0001313800000000, 0.0001042800000000, -0.0002530600000000 ] - [ 0.0003712500000000, -0.0000124000000000, -0.0002918900000000 ] - [ -0.0027618700000000, -0.0002548900000000, 0.0006952800000000 ] - [ 0.0004807400000000, 0.0005089800000000, -0.0002924500000000 ] - [ 0.0011652000000000, -0.0000345200000000, 0.0002064200000000 ] - [ -0.0006813200000000, -0.0000488400000000, -0.0002433000000000 ] - [ -0.0004255900000000, -0.0000895700000000, -0.0001977200000000 ] - [ -0.0002128600000000, -0.0000019900000000, -0.0001359500000000 ] - [ -0.0020514700000000, -0.0007627400000000, -0.0002360600000000 ] - [ 0.0016363300000000, -0.0002771000000000, 0.0005131600000000 ] - [ 0.0017531700000000, 0.0004896600000000, 0.0000806300000000 ] - [ -0.0001472900000000, -0.0001857000000000, 0.0000554100000000 ] - [ 0.0007261300000000, 0.0001571500000000, 0.0002791000000000 ] - [ 0.0007640700000000, -0.0001918400000000, 0.0002316000000000 ] - [ -0.0771795700000000, 0.0399679000000000, 0.0390539000000000 ] - [ 0.0008333900000000, -0.0011489700000000, -0.0004781200000000 ] - [ 0.0008163500000000, -0.0007300900000000, 0.0000776500000000 ] - [ -0.0004854100000000, -0.0007200900000000, 0.0000439300000000 ] - [ -0.0002769400000000, -0.0007128600000000, 0.0000251200000000 ] - [ -0.0002775200000000, -0.0006930000000000, 0.0000557100000000 ] - [ 0.0045198800000000, 0.0008747200000000, -0.0077809900000000 ] - [ 0.0011191300000000, -0.0003264000000000, -0.0002257200000000 ] - [ 0.0016270000000000, -0.0006358800000000, 0.0016339400000000 ] - [ 0.0002369300000000, -0.0007612200000000, -0.0000054100000000 ] - [ 0.0004739000000000, -0.0006218300000000, -0.0000742700000000 ] - [ 0.0003369900000000, -0.0007076700000000, -0.0000386800000000 ] - [ 0.0027287200000000, -0.0051345700000000, 0.0011627800000000 ] - [ 0.0003368000000000, 0.0007624600000000, 0.0000002100000000 ] - [ 0.0027745000000000, 0.0062947700000000, -0.0011977400000000 ] - [ -0.0004674400000000, 0.0005826500000000, 0.0000930900000000 ] - [ -0.0001810300000000, 0.0006203200000000, 0.0000543600000000 ] - [ -0.0004700200000000, 0.0001942900000000, 0.0002571200000000 ] - [ -0.0017778600000000, 0.0015978700000000, 0.0005897200000000 ] - [ 0.0010733600000000, -0.0001353000000000, -0.0006079300000000 ] - [ 0.0008922800000000, 0.0008439600000000, 0.0001033100000000 ] - [ 0.0002190800000000, 0.0004517100000000, -0.0001279700000000 ] - [ 0.0003458700000000, 0.0006870500000000, -0.0000275200000000 ] - [ 0.0005333100000000, 0.0003850800000000, -0.0001782600000000 ] - [ -0.0017012500000000, -0.0003795200000000, -0.0005315400000000 ] - [ 0.0004431200000000, -0.0000791300000000, 0.0000036300000000 ] - [ -0.0002095300000000, 0.0002994000000000, -0.0000285200000000 ] - [ -0.0009843600000000, 0.0001212500000000, -0.0003319900000000 ] - [ -0.0000843500000000, 0.0000464700000000, -0.0001356600000000 ] - [ -0.0002572500000000, -0.0002128500000000, -0.0001320300000000 ] - [ 0.0067362400000000, 0.0032901800000000, 0.0026142700000000 ] - [ 0.0025196800000000, 0.0000323800000000, 0.0007045400000000 ] - [ 0.0053779800000000, -0.0120492700000000, -0.0098510000000000 ] - [ 0.0004251200000000, -0.0001651200000000, 0.0002055800000000 ] - [ 0.0007074600000000, -0.0000242800000000, 0.0002418300000000 ] - [ 0.0001887000000000, 0.0000235000000000, 0.0001293600000000 ] - [ -0.0009180000000000, -0.0000303300000000, 0.0002921700000000 ] - [ 0.0000851300000000, -0.0006024900000000, 0.0000842900000000 ] - [ -0.0003262200000000, -0.0017756200000000, -0.0000872000000000 ] - [ -0.0003185600000000, -0.0019833000000000, -0.0005079300000000 ] - [ 0.0000872200000000, -0.0008001900000000, -0.0000296000000000 ] - [ -0.0009191000000000, 0.0006745100000000, 0.0005670100000000 ] - [ -0.0001251700000000, -0.0011095300000000, 0.0002673900000000 ] - [ 0.0005260500000000, 0.0000008400000000, -0.0003108600000000 ] - [ 0.0006678900000000, -0.0008245300000000, 0.0000448200000000 ] - [ -0.0001163300000000, -0.0007400400000000, -0.0000264000000000 ] - [ 0.0005160400000000, -0.0009401200000000, -0.0000232400000000 ] - [ 0.0006752800000000, -0.0003172400000000, -0.0001779100000000 ] - [ -0.0054934700000000, 0.0003363900000000, 0.0043881900000000 ] - [ 0.0009355700000000, 0.0019898800000000, -0.0008142700000000 ] - [ 0.0009000100000000, 0.0004337500000000, 0.0003144300000000 ] - [ -0.0007061800000000, 0.0003198500000000, 0.0001473300000000 ] - [ -0.0002097500000000, 0.0003195100000000, 0.0001737100000000 ] - [ -0.0002063100000000, 0.0007933000000000, 0.0000431500000000 ] - [ -0.0002849900000000, 0.0023674500000000, 0.0005090800000000 ] - [ 0.0010182800000000, 0.0005310800000000, -0.0001477600000000 ] - [ 0.0006113200000000, -0.0002255100000000, -0.0000296600000000 ] - [ 0.0002631200000000, 0.0002727500000000, -0.0002573800000000 ] - [ 0.0005580400000000, 0.0004406300000000, -0.0001364600000000 ] - [ 0.0002932800000000, 0.0007665700000000, 0.0000157500000000 ]- atom: 85 displacement: [ -0.0099959935686070, 0.0000000000000000, -0.0002830416512950 ] forces: - [ -0.0148350200000000, -0.0004785700000000, -0.0002033600000000 ] - [ 0.0005987700000000, 0.0003796800000000, 0.0006630500000000 ] - [ 0.0045411100000000, 0.0009605700000000, 0.0014651000000000 ] - [ -0.0003426800000000, 0.0001925000000000, 0.0006282500000000 ] - [ -0.0001565100000000, 0.0002169100000000, 0.0006407500000000 ] - [ -0.0002657300000000, 0.0000932100000000, 0.0006267100000000 ] - [ -0.0071993900000000, -0.0052044900000000, 0.0000752400000000 ] - [ 0.0006507300000000, -0.0006420500000000, 0.0005167000000000 ] - [ 0.0003938500000000, -0.0000973800000000, 0.0007310500000000 ] - [ -0.0004235400000000, -0.0003128800000000, 0.0006024400000000 ] - [ -0.0002722700000000, -0.0002476200000000, 0.0006462900000000 ] - [ -0.0001364500000000, -0.0003327700000000, 0.0006434800000000 ] - [ -0.0053648700000000, 0.0006069200000000, -0.0016023900000000 ] - [ 0.0010007500000000, 0.0001024800000000, -0.0008117400000000 ] - [ 0.0010061700000000, 0.0002890000000000, -0.0004448600000000 ] - [ 0.0001348200000000, 0.0001748900000000, -0.0006383100000000 ] - [ 0.0003281500000000, 0.0002230200000000, -0.0006284700000000 ] - [ 0.0003076000000000, 0.0001390700000000, -0.0006122600000000 ] - [ 0.0006825800000000, -0.0012374600000000, -0.0014787000000000 ] - [ 0.0007127600000000, -0.0001690400000000, -0.0005795400000000 ] - [ 0.0002204400000000, 0.0007902900000000, 0.0002705500000000 ] - [ 0.0001838700000000, -0.0002918100000000, -0.0006540300000000 ] - [ 0.0004334200000000, -0.0002117500000000, -0.0005944300000000 ] - [ 0.0002208700000000, -0.0003348500000000, -0.0005694700000000 ] - [ -0.0003541000000000, -0.0004172500000000, 0.0006854200000000 ] - [ -0.0003339700000000, 0.0007876100000000, 0.0005886400000000 ] - [ 0.0000466100000000, -0.0000705700000000, 0.0007029700000000 ] - [ -0.0009747800000000, 0.0000106700000000, 0.0004366700000000 ] - [ 0.0001164300000000, -0.0000011300000000, 0.0006601700000000 ] - [ 0.0000671500000000, 0.0004586100000000, 0.0007371500000000 ] - [ -0.0012248900000000, 0.0018403600000000, 0.0008401400000000 ] - [ 0.0005296800000000, -0.0002887200000000, 0.0006933100000000 ] - [ 0.0004086600000000, -0.0018524300000000, 0.0020488600000000 ] - [ -0.0004383700000000, -0.0006509400000000, 0.0005518300000000 ] - [ -0.0001384100000000, -0.0003113600000000, 0.0006446100000000 ] - [ -0.0002439600000000, 0.0000588100000000, 0.0006782300000000 ] - [ 0.0001819600000000, 0.0008118900000000, -0.0005568700000000 ] - [ 0.0005580400000000, 0.0002460700000000, -0.0005926700000000 ] - [ 0.0001415700000000, -0.0002661300000000, -0.0005659300000000 ] - [ 0.0001732000000000, -0.0000172600000000, -0.0009209200000000 ] - [ 0.0005624800000000, 0.0001305700000000, -0.0005851500000000 ] - [ 0.0000460500000000, 0.0004318500000000, -0.0004072600000000 ] - [ -0.0011371300000000, -0.0001739900000000, -0.0002599300000000 ] - [ 0.0006946800000000, 0.0001868200000000, -0.0007970900000000 ] - [ 0.0008129000000000, -0.0003281100000000, -0.0003944200000000 ] - [ 0.0001044400000000, -0.0003114900000000, -0.0006620800000000 ] - [ 0.0003885400000000, -0.0004277700000000, -0.0006141600000000 ] - [ 0.0003225600000000, -0.0001205600000000, -0.0006041000000000 ] - [ -0.0416633400000000, 0.0373165500000000, 0.0311932300000000 ] - [ 0.0038473400000000, 0.0003233700000000, -0.0001386300000000 ] - [ 0.0030306000000000, 0.0001351400000000, 0.0004193100000000 ] - [ -0.0006098000000000, -0.0001925700000000, 0.0003266700000000 ] - [ -0.0000806800000000, -0.0002850100000000, 0.0003410500000000 ] - [ 0.0000411600000000, 0.0000455700000000, 0.0002608400000000 ] - [ -0.0014679200000000, 0.0000419700000000, -0.0003454200000000 ] - [ 0.0010408900000000, -0.0007211400000000, -0.0002860900000000 ] - [ 0.0009766700000000, 0.0004406000000000, -0.0002931900000000 ] - [ -0.0004819700000000, -0.0003015500000000, -0.0003525700000000 ] - [ 0.0004427800000000, 0.0003732100000000, -0.0004016400000000 ] - [ 0.0006416500000000, -0.0003224300000000, -0.0003207900000000 ] - [ -0.0016149600000000, -0.0044927600000000, 0.0018679300000000 ] - [ 0.0011152100000000, -0.0000958000000000, 0.0002549900000000 ] - [ 0.0002335700000000, 0.0029795200000000, -0.0012792200000000 ] - [ -0.0008913800000000, 0.0001842400000000, 0.0003655900000000 ] - [ 0.0003350100000000, 0.0000594800000000, 0.0003291600000000 ] - [ -0.0000207200000000, -0.0009394400000000, 0.0001414300000000 ] - [ 0.0006820000000000, 0.0035455300000000, -0.0011236100000000 ] - [ 0.0019840400000000, 0.0001460700000000, -0.0001399300000000 ] - [ -0.0002372800000000, -0.0010980600000000, -0.0002792400000000 ] - [ 0.0000981500000000, -0.0003007600000000, -0.0003090200000000 ] - [ 0.0005230500000000, -0.0001350800000000, -0.0003236000000000 ] - [ 0.0000020700000000, 0.0000178000000000, -0.0003089200000000 ] - [ 0.0018748900000000, 0.0002690900000000, -0.0010659700000000 ] - [ -0.0014311500000000, -0.0005495400000000, -0.0001034000000000 ] - [ -0.0020804400000000, 0.0000275000000000, -0.0005903200000000 ] - [ -0.0001954600000000, 0.0000191600000000, -0.0001207400000000 ] - [ -0.0004864200000000, 0.0001214300000000, -0.0001777000000000 ] - [ -0.0006951600000000, 0.0000370900000000, -0.0002304400000000 ] - [ 0.0029276800000000, 0.0007466300000000, 0.0005979100000000 ] - [ -0.0007115100000000, 0.0003036100000000, -0.0001291800000000 ] - [ -0.0008504300000000, -0.0004601600000000, 0.0002809700000000 ] - [ 0.0010601900000000, 0.0001473600000000, 0.0003153900000000 ] - [ 0.0001577600000000, -0.0001259100000000, 0.0000949900000000 ] - [ 0.0001228800000000, 0.0001770700000000, 0.0001374900000000 ] - [ 0.0745588900000000, -0.0413484200000000, -0.0390434300000000 ] - [ -0.0015136300000000, -0.0001048300000000, 0.0005962600000000 ] - [ -0.0015158500000000, -0.0005430600000000, 0.0000575300000000 ] - [ -0.0002477700000000, -0.0004883400000000, 0.0000811000000000 ] - [ -0.0004615900000000, -0.0005094600000000, 0.0001424500000000 ] - [ -0.0004084800000000, -0.0005204800000000, 0.0000978100000000 ] - [ -0.0037820800000000, -0.0020985800000000, 0.0076092700000000 ] - [ -0.0004156200000000, -0.0008885000000000, 0.0001093200000000 ] - [ -0.0009171200000000, -0.0005833300000000, -0.0017815500000000 ] - [ 0.0004510500000000, -0.0004789200000000, -0.0001469400000000 ] - [ 0.0002542700000000, -0.0005883400000000, -0.0000946600000000 ] - [ 0.0003968800000000, -0.0005404700000000, -0.0000748300000000 ] - [ -0.0034131100000000, 0.0063360500000000, -0.0010152800000000 ] - [ -0.0010216100000000, 0.0004895200000000, 0.0001602400000000 ] - [ -0.0035246600000000, -0.0051041100000000, 0.0013364900000000 ] - [ -0.0002170900000000, 0.0006337900000000, 0.0000325100000000 ] - [ -0.0005435600000000, 0.0005790100000000, 0.0000764200000000 ] - [ -0.0002472400000000, 0.0010611500000000, -0.0001402000000000 ] - [ 0.0024763300000000, -0.0003876400000000, -0.0007336100000000 ] - [ -0.0003533100000000, 0.0013474900000000, 0.0004625700000000 ] - [ -0.0001600500000000, 0.0003760600000000, -0.0002257100000000 ] - [ 0.0004738300000000, 0.0008104900000000, -0.0000107600000000 ] - [ 0.0003432800000000, 0.0005356700000000, -0.0000875900000000 ] - [ 0.0001641300000000, 0.0008181700000000, 0.0000314400000000 ] - [ 0.0007582700000000, 0.0003831000000000, 0.0001473500000000 ] - [ -0.0013745500000000, 0.0000615900000000, -0.0003839100000000 ] - [ -0.0006815700000000, -0.0002858300000000, -0.0003517200000000 ] - [ 0.0000948500000000, -0.0001057200000000, -0.0000295200000000 ] - [ -0.0007827900000000, -0.0000449400000000, -0.0002308100000000 ] - [ -0.0006416500000000, 0.0002333700000000, -0.0002401500000000 ] - [ -0.0058132800000000, -0.0032754900000000, -0.0022338300000000 ] - [ -0.0016371600000000, -0.0000655200000000, -0.0003337800000000 ] - [ -0.0046166000000000, 0.0122754500000000, 0.0103667900000000 ] - [ 0.0005163600000000, 0.0001648300000000, 0.0001890100000000 ] - [ 0.0001998000000000, 0.0000551200000000, 0.0001357500000000 ] - [ 0.0007188500000000, -0.0000462300000000, 0.0002347600000000 ] - [ 0.0001780200000000, -0.0011911100000000, -0.0001518400000000 ] - [ -0.0007740000000000, -0.0005957500000000, 0.0000480500000000 ] - [ -0.0003558400000000, 0.0005313200000000, 0.0002145900000000 ] - [ -0.0004192500000000, 0.0007849000000000, 0.0006600500000000 ] - [ -0.0008022000000000, -0.0004417100000000, 0.0001699300000000 ] - [ 0.0002346100000000, -0.0018938700000000, -0.0004246100000000 ] - [ 0.0008397800000000, -0.0001320400000000, -0.0003775600000000 ] - [ 0.0001844200000000, -0.0011592300000000, 0.0001351000000000 ] - [ 0.0000278200000000, -0.0003819700000000, -0.0001734700000000 ] - [ 0.0008368400000000, -0.0004637900000000, -0.0000983100000000 ] - [ 0.0002089500000000, -0.0002810600000000, -0.0001501200000000 ] - [ 0.0000433300000000, -0.0009354800000000, 0.0000378900000000 ] - [ 0.0047643500000000, 0.0008720200000000, -0.0042413800000000 ] - [ -0.0016482500000000, -0.0007949400000000, 0.0009870000000000 ] - [ -0.0016061700000000, 0.0008019700000000, -0.0001707100000000 ] - [ -0.0000207500000000, 0.0009051400000000, 0.0000109900000000 ] - [ -0.0004850800000000, 0.0008743800000000, -0.0000412800000000 ] - [ -0.0005027800000000, 0.0004297800000000, 0.0000655800000000 ] - [ 0.0009781100000000, -0.0011363100000000, -0.0006342400000000 ] - [ -0.0002585300000000, 0.0006755500000000, -0.0000141900000000 ] - [ 0.0001305400000000, 0.0014209400000000, -0.0001164100000000 ] - [ 0.0004663300000000, 0.0009308300000000, 0.0000880000000000 ] - [ 0.0001356600000000, 0.0007981000000000, 0.0000177400000000 ] - [ 0.0003799000000000, 0.0004585100000000, -0.0001564200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020780100000000, 0.0073210700000000, -0.0000520800000000 ] - [ -0.0002147900000000, 0.0009994000000000, 0.0006835800000000 ] - [ -0.0019850600000000, 0.0044875800000000, 0.0011593500000000 ] - [ -0.0001896900000000, -0.0005819500000000, 0.0007151700000000 ] - [ -0.0001919700000000, -0.0002741300000000, 0.0006657200000000 ] - [ -0.0002174200000000, -0.0005738400000000, 0.0006921700000000 ] - [ 0.0041327100000000, 0.0172994400000000, 0.0007011800000000 ] - [ 0.0011442600000000, 0.0007234100000000, 0.0005480400000000 ] - [ -0.0005632300000000, 0.0009870000000000, 0.0005557900000000 ] - [ -0.0003804000000000, -0.0011094100000000, 0.0006070700000000 ] - [ -0.0005821600000000, -0.0007293200000000, 0.0006163200000000 ] - [ -0.0002158700000000, -0.0007961200000000, 0.0006693100000000 ] - [ 0.0002172200000000, 0.0071207200000000, -0.0039424100000000 ] - [ 0.0005993700000000, 0.0011219200000000, -0.0006091700000000 ] - [ 0.0006778100000000, 0.0011119800000000, -0.0004541000000000 ] - [ 0.0001505900000000, -0.0006207000000000, -0.0007215900000000 ] - [ 0.0002608100000000, -0.0003394500000000, -0.0006609800000000 ] - [ 0.0002110300000000, -0.0003400200000000, -0.0006679900000000 ] - [ 0.0015533500000000, 0.0008346500000000, -0.0017802700000000 ] - [ 0.0002806100000000, 0.0005252800000000, -0.0006365400000000 ] - [ -0.0016070000000000, 0.0008102300000000, -0.0018324300000000 ] - [ 0.0002006700000000, -0.0009308600000000, -0.0005450400000000 ] - [ 0.0004286600000000, -0.0006425900000000, -0.0006070200000000 ] - [ 0.0005402400000000, -0.0008749100000000, -0.0004834200000000 ] - [ 0.0008089100000000, -0.0033636300000000, 0.0016209600000000 ] - [ -0.0006983900000000, 0.0002017500000000, 0.0006776800000000 ] - [ 0.0000365200000000, 0.0000187100000000, 0.0007443700000000 ] - [ -0.0007019900000000, -0.0012571200000000, 0.0004166900000000 ] - [ 0.0005463200000000, -0.0002357400000000, 0.0006182800000000 ] - [ -0.0005295900000000, -0.0002834600000000, 0.0004635300000000 ] - [ -0.0040046700000000, -0.0003422900000000, 0.0010975000000000 ] - [ -0.0001665700000000, -0.0002235600000000, 0.0007381700000000 ] - [ 0.0015145600000000, -0.0018688800000000, 0.0019498000000000 ] - [ -0.0003442600000000, -0.0012763500000000, 0.0005111300000000 ] - [ -0.0002603400000000, -0.0004982400000000, 0.0006099300000000 ] - [ -0.0005836100000000, -0.0009116700000000, 0.0005296000000000 ] - [ -0.0001847300000000, 0.0000918600000000, -0.0004401400000000 ] - [ 0.0004123100000000, 0.0001923600000000, -0.0006148800000000 ] - [ 0.0006834300000000, -0.0003727600000000, -0.0003191300000000 ] - [ 0.0007542400000000, -0.0006776300000000, -0.0009345100000000 ] - [ 0.0002975600000000, -0.0000789800000000, -0.0006236300000000 ] - [ -0.0004212400000000, -0.0003519700000000, -0.0009235900000000 ] - [ -0.0003684200000000, -0.0011628000000000, 0.0023565400000000 ] - [ 0.0001658200000000, -0.0001012600000000, -0.0006151200000000 ] - [ 0.0008524700000000, -0.0001725200000000, -0.0004646300000000 ] - [ 0.0004184400000000, -0.0012058900000000, -0.0005943600000000 ] - [ 0.0005015500000000, -0.0006034400000000, -0.0006186700000000 ] - [ 0.0002258300000000, -0.0005381700000000, -0.0006412700000000 ] - [ -0.0429753400000000, 0.1496007900000000, 0.1035185100000000 ] - [ -0.0008971000000000, 0.0017196800000000, 0.0008721600000000 ] - [ 0.0024859400000000, 0.0015039200000000, 0.0005542300000000 ] - [ -0.0003861400000000, -0.0020639300000000, 0.0003460000000000 ] - [ 0.0001142600000000, -0.0012795200000000, 0.0002731700000000 ] - [ -0.0002654800000000, -0.0011541900000000, 0.0002522000000000 ] - [ 0.0008838700000000, -0.0020237400000000, 0.0005377800000000 ] - [ 0.0013493200000000, 0.0003117700000000, 0.0002059900000000 ] - [ -0.0009787700000000, 0.0006825900000000, 0.0000763600000000 ] - [ -0.0002795700000000, -0.0019785900000000, -0.0004451000000000 ] - [ -0.0001342400000000, -0.0006591400000000, -0.0004291000000000 ] - [ 0.0008229100000000, -0.0008264300000000, -0.0003856900000000 ] - [ 0.0046761700000000, -0.0046007900000000, 0.0015993200000000 ] - [ 0.0004064300000000, 0.0006048500000000, -0.0000411100000000 ] - [ -0.0031570100000000, -0.0022221300000000, 0.0014351700000000 ] - [ -0.0015951500000000, -0.0021485500000000, 0.0000185100000000 ] - [ -0.0001208600000000, -0.0006196000000000, 0.0003536800000000 ] - [ 0.0008415300000000, -0.0022946800000000, -0.0001270900000000 ] - [ -0.0008100500000000, 0.0042230100000000, -0.0010531500000000 ] - [ 0.0008171400000000, 0.0009640700000000, -0.0005016100000000 ] - [ 0.0031054700000000, 0.0028293800000000, -0.0016928800000000 ] - [ 0.0003787000000000, -0.0016933500000000, -0.0002693400000000 ] - [ 0.0002386900000000, -0.0009249500000000, -0.0002298600000000 ] - [ -0.0001040900000000, -0.0015010400000000, -0.0002407900000000 ] - [ -0.0023422500000000, -0.0018046900000000, -0.0003361800000000 ] - [ 0.0000449100000000, -0.0007984900000000, 0.0003288900000000 ] - [ -0.0012238500000000, -0.0004156500000000, -0.0002534900000000 ] - [ -0.0002512100000000, 0.0006878400000000, -0.0001527300000000 ] - [ -0.0006430700000000, 0.0004466600000000, -0.0002433200000000 ] - [ -0.0004126500000000, 0.0003613300000000, -0.0002041500000000 ] - [ -0.0016142900000000, 0.0051675500000000, -0.0011512400000000 ] - [ -0.0009242700000000, -0.0000817600000000, -0.0000270000000000 ] - [ 0.0025869500000000, 0.0001282000000000, 0.0004426200000000 ] - [ 0.0011715000000000, 0.0015797900000000, 0.0004943000000000 ] - [ 0.0007050300000000, 0.0002504400000000, 0.0002254100000000 ] - [ -0.0003923800000000, 0.0004592600000000, 0.0000772400000000 ] - [ 0.0450236900000000, -0.1974438400000000, -0.1102858100000000 ] - [ -0.0004706100000000, -0.0025044900000000, -0.0007202500000000 ] - [ -0.0008889200000000, -0.0025099300000000, -0.0006334300000000 ] - [ -0.0004948600000000, 0.0008838800000000, 0.0006443100000000 ] - [ -0.0004653700000000, 0.0003692000000000, 0.0004627400000000 ] - [ -0.0004832900000000, 0.0003720800000000, 0.0004256300000000 ] - [ -0.0012200800000000, -0.0058426800000000, 0.0030537200000000 ] - [ 0.0000798200000000, -0.0018071900000000, 0.0003361200000000 ] - [ 0.0003619200000000, -0.0043637300000000, 0.0015678300000000 ] - [ 0.0005388500000000, 0.0006758400000000, -0.0005824200000000 ] - [ 0.0003923800000000, 0.0001799000000000, -0.0003712700000000 ] - [ 0.0004865700000000, 0.0005759000000000, -0.0005681700000000 ] - [ -0.0060578400000000, 0.0030199400000000, -0.0000037600000000 ] - [ -0.0005368700000000, -0.0005726500000000, 0.0005003000000000 ] - [ 0.0053687100000000, 0.0030216200000000, -0.0006278300000000 ] - [ 0.0000617800000000, 0.0020109600000000, -0.0005418800000000 ] - [ -0.0003777600000000, 0.0013050400000000, -0.0001743300000000 ] - [ -0.0003309300000000, 0.0020101600000000, -0.0004445300000000 ] - [ 0.0011466700000000, 0.0046121400000000, 0.0069730600000000 ] - [ -0.0003707900000000, -0.0002765600000000, -0.0000405800000000 ] - [ 0.0006186800000000, -0.0007392700000000, -0.0004861800000000 ] - [ 0.0001982400000000, 0.0020361600000000, 0.0004954900000000 ] - [ 0.0004467600000000, 0.0013383200000000, 0.0001427700000000 ] - [ 0.0001422600000000, 0.0014662100000000, 0.0002376500000000 ] - [ -0.0017491200000000, 0.0001413100000000, -0.0005268600000000 ] - [ -0.0011126200000000, -0.0001578700000000, -0.0005053700000000 ] - [ 0.0010713100000000, -0.0001560600000000, 0.0001370500000000 ] - [ 0.0001482400000000, 0.0004462300000000, -0.0000419000000000 ] - [ -0.0003595600000000, 0.0002055200000000, -0.0001264000000000 ] - [ -0.0010266500000000, 0.0004582600000000, -0.0003266200000000 ] - [ 0.0035796700000000, -0.0018094600000000, 0.0009176800000000 ] - [ -0.0004685000000000, -0.0003964800000000, -0.0002245400000000 ] - [ -0.0103180100000000, -0.0034408600000000, -0.0023722400000000 ] - [ 0.0002273000000000, 0.0006649600000000, 0.0001415000000000 ] - [ 0.0004286000000000, 0.0003486500000000, 0.0002032300000000 ] - [ 0.0006600000000000, 0.0006352400000000, 0.0002354000000000 ] - [ 0.0009083900000000, 0.0006368200000000, 0.0003411300000000 ] - [ -0.0005669000000000, -0.0003337200000000, 0.0001746300000000 ] - [ -0.0017610200000000, 0.0017329500000000, 0.0006043700000000 ] - [ -0.0015666400000000, 0.0017308200000000, 0.0013006500000000 ] - [ -0.0003720800000000, -0.0003296900000000, 0.0001923700000000 ] - [ 0.0001918200000000, 0.0006381000000000, 0.0004490800000000 ] - [ 0.0005475000000000, 0.0012961300000000, -0.0016397400000000 ] - [ 0.0007082700000000, -0.0003482700000000, -0.0002812600000000 ] - [ 0.0000849700000000, -0.0002839700000000, -0.0002811000000000 ] - [ 0.0008874100000000, 0.0012956400000000, -0.0008702000000000 ] - [ -0.0002412400000000, -0.0003445000000000, 0.0000029000000000 ] - [ 0.0005902000000000, -0.0002799000000000, -0.0001129600000000 ] - [ -0.0001800400000000, 0.0158687200000000, 0.0019591000000000 ] - [ -0.0002009100000000, 0.0002626400000000, 0.0001565900000000 ] - [ -0.0017544700000000, 0.0002674000000000, 0.0001579300000000 ] - [ -0.0000710300000000, 0.0024112800000000, -0.0005087500000000 ] - [ -0.0005517600000000, 0.0014526200000000, -0.0002304600000000 ] - [ -0.0000773500000000, 0.0014507300000000, -0.0002044000000000 ] - [ 0.0021817500000000, -0.0007630300000000, -0.0020692700000000 ] - [ 0.0002948800000000, 0.0003504000000000, -0.0002468400000000 ] - [ -0.0004406600000000, 0.0006892900000000, -0.0008293800000000 ] - [ 0.0000197300000000, 0.0020506400000000, 0.0005287800000000 ] - [ 0.0002010000000000, 0.0012228800000000, 0.0001709900000000 ] - [ 0.0005155200000000, 0.0016319300000000, 0.0003730800000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027295700000000, -0.0069617900000000, 0.0013192700000000 ] - [ -0.0003678200000000, -0.0006036100000000, 0.0005973600000000 ] - [ 0.0013688200000000, -0.0040943800000000, 0.0001262700000000 ] - [ -0.0004018900000000, 0.0009781300000000, 0.0005649000000000 ] - [ -0.0003983100000000, 0.0006710900000000, 0.0006140400000000 ] - [ -0.0003716000000000, 0.0009704000000000, 0.0005866800000000 ] - [ -0.0052443800000000, -0.0191502000000000, 0.0003918500000000 ] - [ -0.0017337000000000, -0.0011286200000000, 0.0007271900000000 ] - [ -0.0000224600000000, -0.0013948600000000, 0.0007199100000000 ] - [ -0.0002152600000000, 0.0007147300000000, 0.0006690700000000 ] - [ -0.0000081000000000, 0.0003294000000000, 0.0006576200000000 ] - [ -0.0003734400000000, 0.0003932500000000, 0.0006058600000000 ] - [ 0.0003764400000000, -0.0067606800000000, 0.0027222900000000 ] - [ -0.0000063400000000, -0.0007257300000000, -0.0006667600000000 ] - [ -0.0000858400000000, -0.0007208500000000, -0.0008188600000000 ] - [ 0.0004402000000000, 0.0010217400000000, -0.0005523900000000 ] - [ 0.0003278400000000, 0.0007484400000000, -0.0006128000000000 ] - [ 0.0003806800000000, 0.0007418900000000, -0.0006068300000000 ] - [ -0.0009615100000000, -0.0012347200000000, 0.0005038100000000 ] - [ 0.0003114500000000, -0.0009243100000000, -0.0006399200000000 ] - [ 0.0021990800000000, -0.0012108100000000, 0.0005561200000000 ] - [ 0.0003878900000000, 0.0005352200000000, -0.0007372100000000 ] - [ 0.0001600600000000, 0.0002475400000000, -0.0006715500000000 ] - [ 0.0000489500000000, 0.0004788200000000, -0.0007976800000000 ] - [ -0.0013953400000000, 0.0037471400000000, -0.0003397100000000 ] - [ 0.0001041700000000, 0.0001979900000000, 0.0005993500000000 ] - [ -0.0006291700000000, 0.0003730700000000, 0.0005370500000000 ] - [ 0.0001142400000000, 0.0016565500000000, 0.0008663200000000 ] - [ -0.0011394400000000, 0.0006286600000000, 0.0006628200000000 ] - [ -0.0000593100000000, 0.0006829300000000, 0.0008196000000000 ] - [ 0.0033951600000000, -0.0000398600000000, 0.0001816300000000 ] - [ -0.0004192100000000, -0.0001772300000000, 0.0005360800000000 ] - [ -0.0021080300000000, 0.0014814900000000, -0.0006735800000000 ] - [ -0.0002474400000000, 0.0008763600000000, 0.0007640600000000 ] - [ -0.0003309600000000, 0.0000958100000000, 0.0006659600000000 ] - [ -0.0000061300000000, 0.0005072800000000, 0.0007488000000000 ] - [ 0.0007762600000000, 0.0003130000000000, -0.0008338200000000 ] - [ 0.0001791000000000, 0.0002093300000000, -0.0006589700000000 ] - [ -0.0000841400000000, 0.0007671700000000, -0.0009538100000000 ] - [ -0.0001644000000000, 0.0010787000000000, -0.0003412700000000 ] - [ 0.0002944000000000, 0.0004803800000000, -0.0006514500000000 ] - [ 0.0010116400000000, 0.0007555700000000, -0.0003508800000000 ] - [ 0.0009620900000000, 0.0007927300000000, -0.0036293200000000 ] - [ 0.0004280300000000, -0.0002887800000000, -0.0006665900000000 ] - [ -0.0002573300000000, -0.0002150500000000, -0.0008141300000000 ] - [ 0.0001728800000000, 0.0008068300000000, -0.0006877500000000 ] - [ 0.0000868500000000, 0.0002065300000000, -0.0006602200000000 ] - [ 0.0003643000000000, 0.0001444400000000, -0.0006392300000000 ] - [ 0.0400478200000000, -0.1443369700000000, -0.0977569600000000 ] - [ 0.0005552500000000, -0.0017263800000000, -0.0003273100000000 ] - [ -0.0028453100000000, -0.0015056800000000, -0.0000167700000000 ] - [ 0.0000144200000000, 0.0020621000000000, 0.0002015400000000 ] - [ -0.0004801000000000, 0.0012817200000000, 0.0002724800000000 ] - [ -0.0001025700000000, 0.0011530600000000, 0.0002937900000000 ] - [ -0.0005088800000000, 0.0020108100000000, -0.0011041300000000 ] - [ -0.0009858200000000, -0.0003178600000000, -0.0007545600000000 ] - [ 0.0013433400000000, -0.0006828800000000, -0.0006216900000000 ] - [ 0.0006451600000000, 0.0019723500000000, -0.0000958500000000 ] - [ 0.0005032100000000, 0.0006630600000000, -0.0001159300000000 ] - [ -0.0004454700000000, 0.0008279400000000, -0.0001567000000000 ] - [ -0.0050734100000000, 0.0046023700000000, -0.0010496700000000 ] - [ -0.0007733000000000, -0.0006031400000000, 0.0005847700000000 ] - [ 0.0027861000000000, 0.0022266500000000, -0.0008877500000000 ] - [ 0.0012093200000000, 0.0021443200000000, 0.0005242600000000 ] - [ -0.0002425100000000, 0.0006241400000000, 0.0001912400000000 ] - [ -0.0012042800000000, 0.0022897200000000, 0.0006649400000000 ] - [ 0.0011889700000000, -0.0041911600000000, 0.0004946000000000 ] - [ -0.0004442700000000, -0.0009640500000000, -0.0000405400000000 ] - [ -0.0027526400000000, -0.0028129200000000, 0.0011413500000000 ] - [ -0.0000102600000000, 0.0016932500000000, -0.0002782400000000 ] - [ 0.0001299200000000, 0.0009237100000000, -0.0003152500000000 ] - [ 0.0004739600000000, 0.0014936700000000, -0.0003054100000000 ] - [ 0.0014594100000000, 0.0017875700000000, -0.0000317800000000 ] - [ -0.0009430100000000, 0.0008001100000000, -0.0007168100000000 ] - [ 0.0003323900000000, 0.0004141900000000, -0.0001335800000000 ] - [ -0.0006424600000000, -0.0006833800000000, -0.0002354200000000 ] - [ -0.0002468300000000, -0.0004523300000000, -0.0001430300000000 ] - [ -0.0004796800000000, -0.0003636800000000, -0.0001840100000000 ] - [ 0.0025084500000000, -0.0051963600000000, 0.0015491200000000 ] - [ 0.0018177600000000, 0.0000797300000000, 0.0004136200000000 ] - [ -0.0016894400000000, -0.0001330100000000, -0.0000555100000000 ] - [ -0.0002688600000000, -0.0015689600000000, -0.0001042500000000 ] - [ 0.0001818100000000, -0.0002553200000000, 0.0001637900000000 ] - [ 0.0012828700000000, -0.0004586400000000, 0.0003114000000000 ] - [ -0.0424323700000000, 0.1921927100000000, 0.1052399500000000 ] - [ -0.0002565200000000, 0.0013166400000000, 0.0008898600000000 ] - [ 0.0001675600000000, 0.0013179400000000, 0.0007967500000000 ] - [ -0.0002191100000000, -0.0020844600000000, -0.0004800200000000 ] - [ -0.0002481600000000, -0.0015708900000000, -0.0003046100000000 ] - [ -0.0002380300000000, -0.0015721700000000, -0.0002647300000000 ] - [ 0.0018956000000000, 0.0046452300000000, -0.0031672800000000 ] - [ 0.0006394800000000, 0.0006078900000000, -0.0005038400000000 ] - [ 0.0003687400000000, 0.0031663800000000, -0.0017252800000000 ] - [ 0.0001810900000000, -0.0018738700000000, 0.0004233900000000 ] - [ 0.0003224900000000, -0.0013798100000000, 0.0002119900000000 ] - [ 0.0002298500000000, -0.0017706900000000, 0.0004017700000000 ] - [ 0.0053764900000000, -0.0018075100000000, 0.0001602800000000 ] - [ -0.0001861700000000, 0.0017683600000000, -0.0003399200000000 ] - [ -0.0060940100000000, -0.0018160600000000, 0.0007856600000000 ] - [ -0.0007798700000000, -0.0008062000000000, 0.0007049200000000 ] - [ -0.0003418500000000, -0.0001037800000000, 0.0003377400000000 ] - [ -0.0003883000000000, -0.0008135200000000, 0.0006113300000000 ] - [ -0.0004422500000000, -0.0034094700000000, -0.0071621900000000 ] - [ 0.0010873900000000, 0.0014811800000000, -0.0001221000000000 ] - [ 0.0000972500000000, 0.0019407700000000, 0.0003186600000000 ] - [ 0.0005220900000000, -0.0008382800000000, -0.0006590500000000 ] - [ 0.0002757600000000, -0.0001366300000000, -0.0003075000000000 ] - [ 0.0005761800000000, -0.0002655800000000, -0.0004007800000000 ] - [ 0.0008615000000000, -0.0001393200000000, 0.0001437400000000 ] - [ 0.0002241200000000, 0.0001620300000000, 0.0001199900000000 ] - [ -0.0019574900000000, 0.0001543300000000, -0.0005231100000000 ] - [ -0.0010417900000000, -0.0004506800000000, -0.0003462400000000 ] - [ -0.0005313600000000, -0.0002068700000000, -0.0002624200000000 ] - [ 0.0001271500000000, -0.0004614700000000, -0.0000599000000000 ] - [ -0.0027226200000000, 0.0017909700000000, -0.0005380600000000 ] - [ 0.0013568400000000, 0.0004011400000000, 0.0006135400000000 ] - [ 0.0111301600000000, 0.0034036500000000, 0.0027454500000000 ] - [ 0.0006597400000000, -0.0006662400000000, 0.0002435900000000 ] - [ 0.0004611500000000, -0.0003525900000000, 0.0001822800000000 ] - [ 0.0002333700000000, -0.0006317200000000, 0.0001526900000000 ] - [ -0.0016130500000000, -0.0018382200000000, -0.0001811500000000 ] - [ -0.0001538100000000, -0.0008702400000000, -0.0000120000000000 ] - [ 0.0010316200000000, -0.0029233600000000, -0.0004375000000000 ] - [ 0.0008554500000000, -0.0029373700000000, -0.0011437400000000 ] - [ -0.0003461400000000, -0.0008694800000000, -0.0000312000000000 ] - [ -0.0009142300000000, -0.0018423700000000, -0.0002918200000000 ] - [ 0.0001716100000000, -0.0024866700000000, 0.0014632600000000 ] - [ 0.0000086600000000, -0.0008588900000000, 0.0001258100000000 ] - [ 0.0006329800000000, -0.0009180700000000, 0.0001185000000000 ] - [ -0.0001742200000000, -0.0025018700000000, 0.0007096600000000 ] - [ 0.0009594900000000, -0.0008512000000000, -0.0001639800000000 ] - [ 0.0001271300000000, -0.0009168600000000, -0.0000493300000000 ] - [ -0.0005642800000000, -0.0143227800000000, -0.0016742500000000 ] - [ -0.0005236800000000, 0.0009336300000000, 0.0000068900000000 ] - [ 0.0010300100000000, 0.0009263300000000, 0.0000066600000000 ] - [ -0.0006444600000000, -0.0012124700000000, 0.0006666700000000 ] - [ -0.0001677400000000, -0.0002524700000000, 0.0003949300000000 ] - [ -0.0006399900000000, -0.0002490700000000, 0.0003675500000000 ] - [ -0.0014609900000000, 0.0019476000000000, 0.0019020000000000 ] - [ 0.0004194600000000, 0.0008480700000000, 0.0000854800000000 ] - [ 0.0011626500000000, 0.0004974400000000, 0.0006567500000000 ] - [ 0.0006953600000000, -0.0008470700000000, -0.0006861900000000 ] - [ 0.0005194000000000, -0.0000208100000000, -0.0003335000000000 ] - [ 0.0002042000000000, -0.0004240700000000, -0.0005309400000000 ]- atom: 85 displacement: [ -0.0011198651297129, 0.0000000000000000, 0.0099370972668709 ] forces: - [ 0.0005268000000000, 0.0006754700000000, 0.0058128200000000 ] - [ -0.0001185600000000, 0.0005166400000000, 0.0007107000000000 ] - [ -0.0015716600000000, 0.0021915200000000, 0.0027013300000000 ] - [ -0.0002678200000000, -0.0000922300000000, 0.0006756300000000 ] - [ -0.0002437700000000, 0.0000267600000000, 0.0006577600000000 ] - [ -0.0002461200000000, -0.0001280000000000, 0.0006736400000000 ] - [ -0.0017683700000000, -0.0016755600000000, 0.0051145500000000 ] - [ 0.0001919400000000, -0.0000098600000000, 0.0007089900000000 ] - [ -0.0002499200000000, 0.0002752900000000, 0.0007080200000000 ] - [ -0.0003664800000000, -0.0005684200000000, 0.0006154200000000 ] - [ -0.0004057900000000, -0.0003924500000000, 0.0006451800000000 ] - [ -0.0002240200000000, -0.0004581200000000, 0.0006703800000000 ] - [ -0.0004408300000000, 0.0002259500000000, 0.0078089100000000 ] - [ 0.0008278200000000, 0.0004427300000000, -0.0005105400000000 ] - [ 0.0001785000000000, 0.0005162500000000, -0.0003180300000000 ] - [ 0.0002153300000000, -0.0001399400000000, -0.0006642800000000 ] - [ 0.0002866600000000, 0.0000145700000000, -0.0006384200000000 ] - [ 0.0002683700000000, -0.0000128200000000, -0.0006411500000000 ] - [ 0.0014711900000000, -0.0007758500000000, -0.0008620400000000 ] - [ 0.0003396800000000, 0.0000498600000000, -0.0005948000000000 ] - [ -0.0013093000000000, -0.0005312200000000, -0.0009009600000000 ] - [ 0.0002190200000000, -0.0004907000000000, -0.0006108600000000 ] - [ 0.0003697700000000, -0.0003591400000000, -0.0006167700000000 ] - [ 0.0003948200000000, -0.0004871500000000, -0.0005498300000000 ] - [ -0.0000072000000000, -0.0015242300000000, 0.0009271000000000 ] - [ -0.0004434600000000, 0.0002874900000000, 0.0006864100000000 ] - [ -0.0000898800000000, 0.0000689100000000, 0.0007350900000000 ] - [ -0.0003959200000000, -0.0002343300000000, 0.0009165000000000 ] - [ -0.0000568100000000, 0.0000252900000000, 0.0006885100000000 ] - [ -0.0003179400000000, 0.0000740800000000, 0.0006379300000000 ] - [ -0.0017795900000000, 0.0008151300000000, 0.0014355500000000 ] - [ -0.0001152600000000, -0.0002122600000000, 0.0007287900000000 ] - [ 0.0007339300000000, -0.0016205900000000, 0.0022367800000000 ] - [ -0.0003098700000000, -0.0005401100000000, 0.0006341400000000 ] - [ -0.0002725600000000, -0.0003286200000000, 0.0006391700000000 ] - [ -0.0003863900000000, -0.0004117600000000, 0.0006334900000000 ] - [ 0.0000947600000000, 0.0005154100000000, -0.0004923800000000 ] - [ 0.0003912700000000, 0.0002387500000000, -0.0006025300000000 ] - [ 0.0005016100000000, 0.0001195500000000, -0.0004089800000000 ] - [ 0.0005341400000000, -0.0002699200000000, -0.0005401200000000 ] - [ 0.0003150700000000, 0.0000692800000000, -0.0006054300000000 ] - [ -0.0001724300000000, -0.0000535600000000, -0.0006084100000000 ] - [ -0.0000466000000000, 0.0018285400000000, 0.0003452400000000 ] - [ 0.0004253600000000, 0.0000077100000000, -0.0005049800000000 ] - [ 0.0004100800000000, -0.0001374200000000, -0.0004009400000000 ] - [ 0.0003697800000000, -0.0007546100000000, -0.0005441500000000 ] - [ 0.0003802400000000, -0.0003935000000000, -0.0006149300000000 ] - [ 0.0002693900000000, -0.0003406200000000, -0.0006241400000000 ] - [ -0.0421933200000000, 0.1153634100000000, 0.1248801300000000 ] - [ -0.0005651400000000, 0.0007503500000000, 0.0000974500000000 ] - [ 0.0020465200000000, 0.0005954000000000, 0.0000100900000000 ] - [ -0.0002968000000000, -0.0007637400000000, 0.0002521300000000 ] - [ -0.0000925900000000, -0.0004656700000000, 0.0002653300000000 ] - [ -0.0001780100000000, -0.0004368900000000, 0.0002450700000000 ] - [ 0.0014175900000000, -0.0024370000000000, -0.0011028600000000 ] - [ 0.0008833000000000, -0.0001896000000000, -0.0003059800000000 ] - [ -0.0003012300000000, 0.0001765100000000, -0.0001754600000000 ] - [ -0.0002007200000000, -0.0008378400000000, -0.0005294200000000 ] - [ 0.0001231200000000, -0.0000701700000000, -0.0003969800000000 ] - [ 0.0005397900000000, -0.0002728200000000, -0.0003509400000000 ] - [ -0.0003824900000000, -0.0008417500000000, 0.0009005300000000 ] - [ 0.0001487800000000, 0.0001993500000000, 0.0001292200000000 ] - [ -0.0005682400000000, 0.0004446800000000, 0.0000184600000000 ] - [ -0.0009138100000000, -0.0007564400000000, 0.0002141400000000 ] - [ -0.0000528100000000, -0.0002161500000000, 0.0002908500000000 ] - [ 0.0003442500000000, -0.0012347100000000, 0.0000270600000000 ] - [ 0.0014157600000000, 0.0055790800000000, -0.0045366100000000 ] - [ 0.0006869300000000, 0.0003829500000000, -0.0003313100000000 ] - [ -0.0005022500000000, 0.0023780400000000, -0.0024214000000000 ] - [ 0.0002674200000000, -0.0007262600000000, -0.0003163700000000 ] - [ 0.0002477500000000, -0.0003720200000000, -0.0002697200000000 ] - [ 0.0000315800000000, -0.0006616200000000, -0.0002864500000000 ] - [ 0.0006229000000000, -0.0036510700000000, 0.0070495400000000 ] - [ -0.0011662600000000, -0.0008607100000000, 0.0004867200000000 ] - [ -0.0007041600000000, -0.0002086000000000, -0.0002217000000000 ] - [ -0.0003414300000000, 0.0003340800000000, -0.0001634800000000 ] - [ -0.0005327000000000, 0.0001817000000000, -0.0002026600000000 ] - [ -0.0004644200000000, 0.0001461500000000, -0.0001991900000000 ] - [ 0.0007057700000000, -0.0001012800000000, -0.0005097100000000 ] - [ -0.0000502900000000, 0.0000066500000000, 0.0001039000000000 ] - [ 0.0009132000000000, -0.0000686500000000, 0.0003235200000000 ] - [ 0.0009115100000000, 0.0005857100000000, 0.0002994300000000 ] - [ 0.0004903500000000, 0.0000622300000000, 0.0001883800000000 ] - [ -0.0000056200000000, 0.0002248900000000, 0.0001315700000000 ] - [ 0.0513725500000000, -0.1147024900000000, -0.1316158100000000 ] - [ -0.0004852900000000, -0.0012497300000000, -0.0003131300000000 ] - [ -0.0010359600000000, -0.0013862100000000, -0.0003787000000000 ] - [ -0.0003846300000000, -0.0000273500000000, 0.0003025300000000 ] - [ -0.0003987000000000, -0.0002475300000000, 0.0002132200000000 ] - [ -0.0004316800000000, -0.0002085200000000, 0.0002127600000000 ] - [ -0.0079699900000000, -0.0038756700000000, 0.0094937200000000 ] - [ 0.0001311000000000, -0.0010507200000000, 0.0000273700000000 ] - [ 0.0018906200000000, -0.0022385800000000, 0.0010760200000000 ] - [ 0.0004562300000000, -0.0000823700000000, -0.0002821900000000 ] - [ 0.0003558900000000, -0.0003074300000000, -0.0001932700000000 ] - [ 0.0004118700000000, -0.0000966300000000, -0.0003000000000000 ] - [ -0.0019415800000000, 0.0019577100000000, -0.0016502500000000 ] - [ -0.0005242200000000, 0.0001612200000000, 0.0001982400000000 ] - [ 0.0004298500000000, 0.0000540800000000, -0.0013926800000000 ] - [ -0.0001659000000000, 0.0011311400000000, -0.0001607000000000 ] - [ -0.0004046800000000, 0.0008545700000000, -0.0000101400000000 ] - [ -0.0003295200000000, 0.0012660800000000, -0.0001745800000000 ] - [ 0.0010716400000000, 0.0075205000000000, 0.0062382400000000 ] - [ -0.0002427300000000, 0.0007212200000000, -0.0000218600000000 ] - [ 0.0004890400000000, 0.0001689900000000, -0.0003253200000000 ] - [ 0.0003244600000000, 0.0011910700000000, 0.0001884200000000 ] - [ 0.0004131600000000, 0.0008185900000000, -0.0000264400000000 ] - [ 0.0002436800000000, 0.0009439000000000, 0.0000401000000000 ] - [ -0.0016947600000000, 0.0003830100000000, -0.0002305100000000 ] - [ -0.0008263400000000, -0.0000050300000000, -0.0002943000000000 ] - [ 0.0003976000000000, 0.0000630100000000, -0.0000007800000000 ] - [ -0.0000403200000000, 0.0000868600000000, -0.0000416800000000 ] - [ -0.0004986800000000, 0.0000444900000000, -0.0001710000000000 ] - [ -0.0007581800000000, 0.0001545100000000, -0.0002540600000000 ] - [ 0.0018446400000000, -0.0005783100000000, -0.0006704500000000 ] - [ -0.0003127900000000, -0.0001579200000000, -0.0000199700000000 ] - [ -0.0083038100000000, -0.0031120800000000, -0.0082491000000000 ] - [ 0.0003860300000000, 0.0002348000000000, 0.0001760400000000 ] - [ 0.0004105200000000, 0.0001319900000000, 0.0001915500000000 ] - [ 0.0005475000000000, 0.0002371400000000, 0.0002224500000000 ] - [ 0.0001901200000000, -0.0002992900000000, 0.0000386800000000 ] - [ -0.0005241500000000, -0.0004926900000000, 0.0001006600000000 ] - [ -0.0009532300000000, 0.0007519300000000, 0.0001821100000000 ] - [ -0.0005332800000000, 0.0000734100000000, 0.0002251600000000 ] - [ -0.0004094700000000, -0.0004845400000000, 0.0001114500000000 ] - [ -0.0000869700000000, -0.0004862400000000, 0.0000062100000000 ] - [ 0.0004929700000000, 0.0002462500000000, -0.0008547300000000 ] - [ 0.0004003000000000, -0.0007547600000000, -0.0001027600000000 ] - [ 0.0002342700000000, -0.0005448600000000, -0.0001805100000000 ] - [ 0.0007745100000000, 0.0009561300000000, -0.0008140700000000 ] - [ 0.0001146600000000, -0.0003651800000000, -0.0001363400000000 ] - [ 0.0004544600000000, -0.0004322700000000, -0.0001539400000000 ] - [ 0.0050209800000000, -0.0011938900000000, -0.0173898000000000 ] - [ -0.0002701000000000, 0.0003727000000000, 0.0001162300000000 ] - [ -0.0013908700000000, 0.0005439400000000, -0.0000069200000000 ] - [ -0.0002474300000000, 0.0012285900000000, -0.0002174200000000 ] - [ -0.0004139400000000, 0.0009208700000000, -0.0000513600000000 ] - [ -0.0002809000000000, 0.0008916900000000, -0.0000370800000000 ] - [ 0.0010457000000000, -0.0015697800000000, -0.0010637800000000 ] - [ 0.0002213700000000, 0.0004430800000000, -0.0002184000000000 ] - [ 0.0004090100000000, -0.0000496400000000, -0.0010616300000000 ] - [ 0.0001875300000000, 0.0012518500000000, 0.0001263400000000 ] - [ 0.0002828500000000, 0.0008719600000000, 0.0000182000000000 ] - [ 0.0004617500000000, 0.0010420900000000, 0.0000732900000000 ]- atom: 85 displacement: [ 0.0011198651297129, 0.0000000000000000, -0.0099370972668709 ] forces: - [ -0.0011190500000000, -0.0002913900000000, -0.0045439100000000 ] - [ -0.0004639700000000, -0.0001143900000000, 0.0005686800000000 ] - [ 0.0009612700000000, -0.0017875900000000, -0.0014302500000000 ] - [ -0.0003201800000000, 0.0004913500000000, 0.0006021300000000 ] - [ -0.0003431100000000, 0.0003718900000000, 0.0006201900000000 ] - [ -0.0003373700000000, 0.0005283300000000, 0.0006041100000000 ] - [ 0.0012177200000000, 0.0013425800000000, -0.0038691000000000 ] - [ -0.0007725200000000, -0.0003948800000000, 0.0005631700000000 ] - [ -0.0003289800000000, -0.0006859500000000, 0.0005660500000000 ] - [ -0.0002216400000000, 0.0001596600000000, 0.0006589000000000 ] - [ -0.0001793000000000, -0.0000135600000000, 0.0006275900000000 ] - [ -0.0003645600000000, 0.0000522300000000, 0.0006026000000000 ] - [ 0.0010830000000000, 0.0001320800000000, -0.0103517000000000 ] - [ -0.0002437700000000, -0.0000347100000000, -0.0007659600000000 ] - [ 0.0004098400000000, -0.0001078200000000, -0.0009527700000000 ] - [ 0.0003700900000000, 0.0005437000000000, -0.0006109500000000 ] - [ 0.0003015200000000, 0.0003926900000000, -0.0006337200000000 ] - [ 0.0003203500000000, 0.0004174100000000, -0.0006320000000000 ] - [ -0.0008880400000000, 0.0003788100000000, -0.0004245100000000 ] - [ 0.0002460000000000, -0.0004532100000000, -0.0006790400000000 ] - [ 0.0019001200000000, 0.0001405200000000, -0.0003803600000000 ] - [ 0.0003678900000000, 0.0000882500000000, -0.0006702900000000 ] - [ 0.0002151600000000, -0.0000421900000000, -0.0006607300000000 ] - [ 0.0001889300000000, 0.0000869800000000, -0.0007305400000000 ] - [ -0.0005862400000000, 0.0019283700000000, 0.0003500100000000 ] - [ -0.0001461100000000, 0.0001141300000000, 0.0005876000000000 ] - [ -0.0005000900000000, 0.0003259700000000, 0.0005448200000000 ] - [ -0.0001909200000000, 0.0006341800000000, 0.0003615100000000 ] - [ -0.0005287000000000, 0.0003725900000000, 0.0005898800000000 ] - [ -0.0002692700000000, 0.0003291400000000, 0.0006421800000000 ] - [ 0.0011932600000000, -0.0012133700000000, -0.0001678800000000 ] - [ -0.0004713400000000, -0.0001906800000000, 0.0005438300000000 ] - [ -0.0013229700000000, 0.0012199100000000, -0.0009662700000000 ] - [ -0.0002774600000000, 0.0001313300000000, 0.0006373900000000 ] - [ -0.0003163300000000, -0.0000775900000000, 0.0006354800000000 ] - [ -0.0002018200000000, 0.0000000300000000, 0.0006419900000000 ] - [ 0.0004922900000000, -0.0001105400000000, -0.0007837600000000 ] - [ 0.0001959800000000, 0.0001647400000000, -0.0006714000000000 ] - [ 0.0000881800000000, 0.0002816000000000, -0.0008662500000000 ] - [ 0.0000528500000000, 0.0006758800000000, -0.0007391800000000 ] - [ 0.0002744600000000, 0.0003354600000000, -0.0006664900000000 ] - [ 0.0007586000000000, 0.0004583500000000, -0.0006675300000000 ] - [ 0.0006369900000000, -0.0022361100000000, -0.0016337600000000 ] - [ 0.0001616800000000, -0.0004079800000000, -0.0007774800000000 ] - [ 0.0001838500000000, -0.0002584000000000, -0.0008769200000000 ] - [ 0.0002178300000000, 0.0003461500000000, -0.0007357000000000 ] - [ 0.0002062600000000, -0.0000069800000000, -0.0006648200000000 ] - [ 0.0003166600000000, -0.0000578100000000, -0.0006561600000000 ] - [ 0.0402918300000000, -0.1110115100000000, -0.1221370700000000 ] - [ 0.0002110800000000, -0.0007526500000000, 0.0004493300000000 ] - [ -0.0024130000000000, -0.0005941800000000, 0.0005292500000000 ] - [ -0.0000793100000000, 0.0007569100000000, 0.0003000700000000 ] - [ -0.0002728200000000, 0.0004641900000000, 0.0002816300000000 ] - [ -0.0001918400000000, 0.0004336100000000, 0.0003004500000000 ] - [ -0.0010413300000000, 0.0024407500000000, 0.0005461200000000 ] - [ -0.0005173300000000, 0.0001905100000000, -0.0002389500000000 ] - [ 0.0006642400000000, -0.0001745000000000, -0.0003699400000000 ] - [ 0.0005717100000000, 0.0008280800000000, -0.0000118200000000 ] - [ 0.0002473800000000, 0.0000682900000000, -0.0001452700000000 ] - [ -0.0001629600000000, 0.0002714600000000, -0.0001889100000000 ] - [ 0.0000319900000000, 0.0008195800000000, -0.0003413800000000 ] - [ -0.0005176900000000, -0.0001964000000000, 0.0004158100000000 ] - [ 0.0001788300000000, -0.0004547600000000, 0.0005411700000000 ] - [ 0.0005366200000000, 0.0007551800000000, 0.0003332600000000 ] - [ -0.0003099700000000, 0.0002180200000000, 0.0002520500000000 ] - [ -0.0007120200000000, 0.0012299500000000, 0.0005146500000000 ] - [ -0.0010680400000000, -0.0055832700000000, 0.0039710400000000 ] - [ -0.0003177800000000, -0.0003807100000000, -0.0002118100000000 ] - [ 0.0008978300000000, -0.0023731000000000, 0.0018748900000000 ] - [ 0.0001065500000000, 0.0007226800000000, -0.0002314900000000 ] - [ 0.0001226200000000, 0.0003688800000000, -0.0002741100000000 ] - [ 0.0003364800000000, 0.0006507100000000, -0.0002595500000000 ] - [ -0.0015311700000000, 0.0036564500000000, -0.0074624100000000 ] - [ 0.0002946600000000, 0.0008714800000000, -0.0008669600000000 ] - [ -0.0001874400000000, 0.0002044000000000, -0.0001623800000000 ] - [ -0.0005511100000000, -0.0003261600000000, -0.0002235100000000 ] - [ -0.0003597500000000, -0.0001866000000000, -0.0001824200000000 ] - [ -0.0004288800000000, -0.0001456400000000, -0.0001875700000000 ] - [ 0.0001684500000000, 0.0001279700000000, 0.0008870300000000 ] - [ 0.0009389400000000, -0.0000107700000000, 0.0002805700000000 ] - [ -0.0000049300000000, 0.0000664400000000, 0.0000628700000000 ] - [ -0.0000149100000000, -0.0005826300000000, 0.0000846100000000 ] - [ 0.0003935200000000, -0.0000668300000000, 0.0001991400000000 ] - [ 0.0008993500000000, -0.0002234700000000, 0.0002571300000000 ] - [ -0.0507042000000000, 0.1092335900000000, 0.1312081300000000 ] - [ -0.0002402400000000, 0.0000543400000000, 0.0004816000000000 ] - [ 0.0003143200000000, 0.0001906800000000, 0.0005405300000000 ] - [ -0.0003299800000000, -0.0011720500000000, -0.0001379900000000 ] - [ -0.0003174300000000, -0.0009515300000000, -0.0000541500000000 ] - [ -0.0002921300000000, -0.0009874300000000, -0.0000493400000000 ] - [ 0.0087538600000000, 0.0026678000000000, -0.0096976900000000 ] - [ 0.0005905200000000, -0.0001515700000000, -0.0001924400000000 ] - [ -0.0011843000000000, 0.0010338900000000, -0.0012345600000000 ] - [ 0.0002657400000000, -0.0011117300000000, 0.0001224300000000 ] - [ 0.0003598800000000, -0.0008877600000000, 0.0000325100000000 ] - [ 0.0003072100000000, -0.0010920600000000, 0.0001313200000000 ] - [ 0.0012062800000000, -0.0007374400000000, 0.0018246400000000 ] - [ -0.0001981100000000, 0.0010300700000000, -0.0000371500000000 ] - [ -0.0011155500000000, 0.0011654200000000, 0.0015520600000000 ] - [ -0.0005540600000000, 0.0000718100000000, 0.0003242300000000 ] - [ -0.0003146200000000, 0.0003450100000000, 0.0001753200000000 ] - [ -0.0003877300000000, -0.0000720200000000, 0.0003424400000000 ] - [ -0.0003661300000000, -0.0063585800000000, -0.0064225600000000 ] - [ 0.0009627400000000, 0.0004728400000000, -0.0001402200000000 ] - [ 0.0002272900000000, 0.0010283900000000, 0.0001595000000000 ] - [ 0.0003973700000000, 0.0000057900000000, -0.0003499200000000 ] - [ 0.0003080900000000, 0.0003837700000000, -0.0001368500000000 ] - [ 0.0004765500000000, 0.0002549400000000, -0.0002033500000000 ] - [ 0.0008071400000000, -0.0003868300000000, -0.0001532100000000 ] - [ -0.0000618600000000, 0.0000083700000000, -0.0000896800000000 ] - [ -0.0012824700000000, -0.0000674700000000, -0.0003853000000000 ] - [ -0.0008561000000000, -0.0000863000000000, -0.0003450600000000 ] - [ -0.0003932100000000, -0.0000447000000000, -0.0002181500000000 ] - [ -0.0001411600000000, -0.0001566700000000, -0.0001327200000000 ] - [ -0.0009875900000000, 0.0005624800000000, 0.0010424800000000 ] - [ 0.0012047900000000, 0.0001625300000000, 0.0004089200000000 ] - [ 0.0091576700000000, 0.0030547000000000, 0.0085698300000000 ] - [ 0.0004970700000000, -0.0002326100000000, 0.0002059000000000 ] - [ 0.0004800200000000, -0.0001341100000000, 0.0001937000000000 ] - [ 0.0003490500000000, -0.0002313500000000, 0.0001662600000000 ] - [ -0.0009049000000000, -0.0009006900000000, 0.0001253200000000 ] - [ -0.0001980500000000, -0.0007065300000000, 0.0000647800000000 ] - [ 0.0002320800000000, -0.0019439000000000, -0.0000161100000000 ] - [ -0.0001863800000000, -0.0012716500000000, -0.0000612900000000 ] - [ -0.0003102600000000, -0.0007126800000000, 0.0000510600000000 ] - [ -0.0006307100000000, -0.0007091100000000, 0.0001551000000000 ] - [ 0.0002270800000000, -0.0014347100000000, 0.0006905400000000 ] - [ 0.0003202100000000, -0.0004464000000000, -0.0000534400000000 ] - [ 0.0004855100000000, -0.0006513300000000, 0.0000157200000000 ] - [ -0.0000613200000000, -0.0021686300000000, 0.0006608200000000 ] - [ 0.0006017400000000, -0.0008321700000000, -0.0000216000000000 ] - [ 0.0002646300000000, -0.0007641900000000, -0.0000079800000000 ] - [ -0.0056623300000000, 0.0023690900000000, 0.0173892300000000 ] - [ -0.0004522300000000, 0.0008271500000000, 0.0000458000000000 ] - [ 0.0006672400000000, 0.0006482000000000, 0.0001725300000000 ] - [ -0.0004662200000000, -0.0000216100000000, 0.0003724200000000 ] - [ -0.0003067500000000, 0.0002808700000000, 0.0002148600000000 ] - [ -0.0004367200000000, 0.0003086700000000, 0.0001997000000000 ] - [ -0.0003196700000000, 0.0027744600000000, 0.0009100100000000 ] - [ 0.0004939500000000, 0.0007549600000000, 0.0000584200000000 ] - [ 0.0003055300000000, 0.0012504000000000, 0.0009009000000000 ] - [ 0.0005259100000000, -0.0000469800000000, -0.0002801300000000 ] - [ 0.0004377800000000, 0.0003273000000000, -0.0001807700000000 ] - [ 0.0002583400000000, 0.0001637700000000, -0.0002315300000000 ]