# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cee45bd9-80e0-4e02-aeec-0f8cb4f7d78b/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 HfO2 / Pbcn (60) / materials id 776097](https://mdr.nims.go.jp/datasets/06f0e65c-59b5-4642-bce9-2950e33ae9ae) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.803266100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.776863020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.893166539999999 ] # c points: - symbol: Hf # 1 coordinates: [ 0.502261790000000, 0.349044590000000, 0.084179060000000 ] mass: 178.490000 - symbol: Hf # 2 coordinates: [ 0.500000000000000, 0.025100850000000, 0.250000000000000 ] mass: 178.490000 - symbol: Hf # 3 coordinates: [ 0.497738210000000, 0.349044590000000, 0.415820940000000 ] mass: 178.490000 - symbol: Hf # 4 coordinates: [ 0.500000000000000, 0.974899150000000, 0.750000000000000 ] mass: 178.490000 - symbol: Hf # 5 coordinates: [ 0.502261790000000, 0.650955410000000, 0.584179060000000 ] mass: 178.490000 - symbol: Hf # 6 coordinates: [ 0.497738210000000, 0.650955410000000, 0.915820940000000 ] mass: 178.490000 - symbol: Hf # 7 coordinates: [ 0.997738210000000, 0.150955410000000, 0.584179060000000 ] mass: 178.490000 - symbol: Hf # 8 coordinates: [ 0.000000000000000, 0.525100850000000, 0.250000000000000 ] mass: 178.490000 - symbol: Hf # 9 coordinates: [ 0.002261790000000, 0.150955410000000, 0.915820940000000 ] mass: 178.490000 - symbol: Hf # 10 coordinates: [ 0.000000000000000, 0.474899150000000, 0.750000000000000 ] mass: 178.490000 - symbol: Hf # 11 coordinates: [ 0.002261790000000, 0.849044590000000, 0.415820940000000 ] mass: 178.490000 - symbol: Hf # 12 coordinates: [ 0.997738210000000, 0.849044590000000, 0.084179060000000 ] mass: 178.490000 - symbol: O # 13 coordinates: [ 0.705718880000000, 0.629228380000000, 0.030029090000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.705718880000000, 0.370771620000000, 0.530029090000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.779000750000000, 0.189754620000000, 0.695749390000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.779000750000000, 0.810245380000000, 0.195749390000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.713836990000000, 0.074456960000000, 0.362116060000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.713836990000000, 0.925543040000000, 0.862116060000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.786163010000000, 0.574456960000000, 0.362116060000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.786163010000000, 0.425543040000000, 0.862116060000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.720999250000000, 0.310245380000000, 0.195749390000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.720999250000000, 0.689754620000000, 0.695749390000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.794281120000000, 0.129228380000000, 0.030029090000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.794281120000000, 0.870771620000000, 0.530029090000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.205718880000000, 0.870771620000000, 0.969970910000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.205718880000000, 0.129228380000000, 0.469970910000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.279000750000000, 0.310245380000000, 0.304250610000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.279000750000000, 0.689754620000000, 0.804250610000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.213836990000000, 0.425543040000000, 0.637883940000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.213836990000000, 0.574456960000000, 0.137883940000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.286163010000000, 0.925543040000000, 0.637883940000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.286163010000000, 0.074456960000000, 0.137883940000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.220999250000000, 0.189754620000000, 0.804250610000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.220999250000000, 0.810245380000000, 0.304250610000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.294281120000000, 0.370771620000000, 0.969970910000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.294281120000000, 0.629228380000000, 0.469970910000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.208191671912576, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.173104329553585, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.062920123405439 ] # c*unit_cell: lattice: - [ 4.803266100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.776863020000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.893166539999999 ] # c points: - symbol: Hf # 1 coordinates: [ 0.502261790000000, 0.349044590000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.500000000000000, 0.025100850000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 2 - symbol: Hf # 3 coordinates: [ 0.497738210000000, 0.349044590000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 3 - symbol: Hf # 4 coordinates: [ 0.500000000000000, 0.974899150000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 4 - symbol: Hf # 5 coordinates: [ 0.502261790000000, 0.650955410000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 6 coordinates: [ 0.497738210000000, 0.650955410000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 6 - symbol: Hf # 7 coordinates: [ 0.997738210000000, 0.150955410000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 7 - symbol: Hf # 8 coordinates: [ 0.000000000000000, 0.525100850000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 8 - symbol: Hf # 9 coordinates: [ 0.002261790000000, 0.150955410000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 10 coordinates: [ 0.000000000000000, 0.474899150000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 10 - symbol: Hf # 11 coordinates: [ 0.002261790000000, 0.849044590000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 11 - symbol: Hf # 12 coordinates: [ 0.997738210000000, 0.849044590000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.705718880000000, 0.629228380000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.705718880000000, 0.370771620000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.779000750000000, 0.189754620000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.779000750000000, 0.810245380000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.713836990000000, 0.074456960000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.713836990000000, 0.925543040000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.786163010000000, 0.574456960000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.786163010000000, 0.425543040000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.720999250000000, 0.310245380000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.720999250000000, 0.689754620000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.794281120000000, 0.129228380000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.794281120000000, 0.870771620000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.205718880000000, 0.870771620000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.205718880000000, 0.129228380000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.279000750000000, 0.310245380000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.279000750000000, 0.689754620000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.213836990000000, 0.425543040000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.213836990000000, 0.574456960000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.286163010000000, 0.925543040000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.286163010000000, 0.074456960000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.220999250000000, 0.189754620000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.220999250000000, 0.810245380000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.294281120000000, 0.370771620000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.294281120000000, 0.629228380000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 9.606532200000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.553726040000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.893166539999999 ] # c points: - symbol: Hf # 1 coordinates: [ 0.251130895000000, 0.174522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.751130895000000, 0.174522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 3 coordinates: [ 0.251130895000000, 0.674522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 4 coordinates: [ 0.751130895000000, 0.674522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 5 coordinates: [ 0.250000000000000, 0.012550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 6 coordinates: [ 0.750000000000000, 0.012550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 7 coordinates: [ 0.250000000000000, 0.512550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 8 coordinates: [ 0.750000000000000, 0.512550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 9 coordinates: [ 0.248869105000000, 0.174522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 10 coordinates: [ 0.748869105000000, 0.174522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 11 coordinates: [ 0.248869105000000, 0.674522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 12 coordinates: [ 0.748869105000000, 0.674522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 13 coordinates: [ 0.250000000000000, 0.487449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 14 coordinates: [ 0.750000000000000, 0.487449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 15 coordinates: [ 0.250000000000000, 0.987449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 16 coordinates: [ 0.750000000000000, 0.987449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 17 coordinates: [ 0.251130895000000, 0.325477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 18 coordinates: [ 0.751130895000000, 0.325477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 19 coordinates: [ 0.251130895000000, 0.825477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 20 coordinates: [ 0.751130895000000, 0.825477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 17 - symbol: Hf # 21 coordinates: [ 0.248869105000000, 0.325477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 22 coordinates: [ 0.748869105000000, 0.325477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 23 coordinates: [ 0.248869105000000, 0.825477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 24 coordinates: [ 0.748869105000000, 0.825477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 21 - symbol: Hf # 25 coordinates: [ 0.498869105000000, 0.075477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 26 coordinates: [ 0.998869105000000, 0.075477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 27 coordinates: [ 0.498869105000000, 0.575477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 28 coordinates: [ 0.998869105000000, 0.575477705000000, 0.584179060000000 ] mass: 178.490000 reduced_to: 25 - symbol: Hf # 29 coordinates: [ 0.000000000000000, 0.262550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 30 coordinates: [ 0.500000000000000, 0.262550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 31 coordinates: [ 0.000000000000000, 0.762550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 32 coordinates: [ 0.500000000000000, 0.762550425000000, 0.250000000000000 ] mass: 178.490000 reduced_to: 29 - symbol: Hf # 33 coordinates: [ 0.001130895000000, 0.075477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 34 coordinates: [ 0.501130895000000, 0.075477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 35 coordinates: [ 0.001130895000000, 0.575477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 36 coordinates: [ 0.501130895000000, 0.575477705000000, 0.915820940000000 ] mass: 178.490000 reduced_to: 33 - symbol: Hf # 37 coordinates: [ 0.000000000000000, 0.237449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 38 coordinates: [ 0.500000000000000, 0.237449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 39 coordinates: [ 0.000000000000000, 0.737449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 40 coordinates: [ 0.500000000000000, 0.737449575000000, 0.750000000000000 ] mass: 178.490000 reduced_to: 37 - symbol: Hf # 41 coordinates: [ 0.001130895000000, 0.424522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 42 coordinates: [ 0.501130895000000, 0.424522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 43 coordinates: [ 0.001130895000000, 0.924522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 44 coordinates: [ 0.501130895000000, 0.924522295000000, 0.415820940000000 ] mass: 178.490000 reduced_to: 41 - symbol: Hf # 45 coordinates: [ 0.498869105000000, 0.424522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 45 - symbol: Hf # 46 coordinates: [ 0.998869105000000, 0.424522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 45 - symbol: Hf # 47 coordinates: [ 0.498869105000000, 0.924522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 45 - symbol: Hf # 48 coordinates: [ 0.998869105000000, 0.924522295000000, 0.084179060000000 ] mass: 178.490000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.352859440000000, 0.314614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.852859440000000, 0.314614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.352859440000000, 0.814614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.852859440000000, 0.814614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.352859440000000, 0.185385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.852859440000000, 0.185385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.352859440000000, 0.685385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.852859440000000, 0.685385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.389500375000000, 0.094877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.889500375000000, 0.094877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.389500375000000, 0.594877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.889500375000000, 0.594877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.389500375000000, 0.405122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.889500375000000, 0.405122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.389500375000000, 0.905122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.889500375000000, 0.905122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.356918495000000, 0.037228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.856918495000000, 0.037228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.356918495000000, 0.537228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.856918495000000, 0.537228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.356918495000000, 0.462771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.856918495000000, 0.462771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.356918495000000, 0.962771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.856918495000000, 0.962771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.393081505000000, 0.287228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.893081505000000, 0.287228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.393081505000000, 0.787228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.893081505000000, 0.787228480000000, 0.362116060000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.393081505000000, 0.212771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.893081505000000, 0.212771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.393081505000000, 0.712771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.893081505000000, 0.712771520000000, 0.862116060000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.360499625000000, 0.155122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.860499625000000, 0.155122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.360499625000000, 0.655122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.860499625000000, 0.655122690000000, 0.195749390000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.360499625000000, 0.344877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.860499625000000, 0.344877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.360499625000000, 0.844877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.860499625000000, 0.844877310000000, 0.695749390000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.397140560000000, 0.064614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.897140560000000, 0.064614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.397140560000000, 0.564614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.897140560000000, 0.564614190000000, 0.030029090000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.397140560000000, 0.435385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.897140560000000, 0.435385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.397140560000000, 0.935385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.897140560000000, 0.935385810000000, 0.530029090000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.102859440000000, 0.435385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.602859440000000, 0.435385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.102859440000000, 0.935385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.602859440000000, 0.935385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.102859440000000, 0.064614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.602859440000000, 0.064614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.102859440000000, 0.564614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.602859440000000, 0.564614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.139500375000000, 0.155122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.639500375000000, 0.155122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.139500375000000, 0.655122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.639500375000000, 0.655122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.139500375000000, 0.344877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.639500375000000, 0.344877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.139500375000000, 0.844877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.639500375000000, 0.844877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.106918495000000, 0.212771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.606918495000000, 0.212771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.106918495000000, 0.712771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.606918495000000, 0.712771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.106918495000000, 0.287228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.606918495000000, 0.287228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.106918495000000, 0.787228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.606918495000000, 0.787228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.143081505000000, 0.462771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.643081505000000, 0.462771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.143081505000000, 0.962771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.643081505000000, 0.962771520000000, 0.637883940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.143081505000000, 0.037228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.643081505000000, 0.037228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.143081505000000, 0.537228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.643081505000000, 0.537228480000000, 0.137883940000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.110499625000000, 0.094877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.610499625000000, 0.094877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.110499625000000, 0.594877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.610499625000000, 0.594877310000000, 0.804250610000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.110499625000000, 0.405122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.610499625000000, 0.405122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.110499625000000, 0.905122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.610499625000000, 0.905122690000000, 0.304250610000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.147140560000000, 0.185385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.647140560000000, 0.185385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.147140560000000, 0.685385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.647140560000000, 0.685385810000000, 0.969970910000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.147140560000000, 0.314614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.647140560000000, 0.314614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.147140560000000, 0.814614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.647140560000000, 0.814614190000000, 0.469970910000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1832332500000000, 0.0150777900000000, 0.0068464400000000 ] - [ 0.0260105300000000, -0.0014169300000000, -0.0006947100000000 ] - [ -0.0081782200000000, -0.0009869200000000, 0.0037606100000000 ] - [ 0.0073844400000000, -0.0003240100000000, -0.0029026600000000 ] - [ -0.0330387500000000, -0.0081812600000000, -0.0072303100000000 ] - [ 0.0095692900000000, 0.0006232900000000, -0.0000487100000000 ] - [ -0.0100724100000000, -0.0002162500000000, -0.0003764100000000 ] - [ 0.0074457300000000, -0.0008642500000000, -0.0008581900000000 ] - [ -0.0046443800000000, -0.0011575500000000, -0.0008166300000000 ] - [ 0.0038877400000000, 0.0020327300000000, 0.0008858700000000 ] - [ -0.0014163600000000, -0.0000175200000000, 0.0000625900000000 ] - [ 0.0010737100000000, 0.0003335500000000, -0.0000283100000000 ] - [ -0.0009817100000000, -0.0003195000000000, 0.0003103400000000 ] - [ 0.0010955800000000, -0.0006700200000000, -0.0002073000000000 ] - [ -0.0045183700000000, 0.0009653300000000, -0.0010984500000000 ] - [ 0.0038793000000000, -0.0021809700000000, 0.0000681000000000 ] - [ -0.0009369700000000, -0.0007098400000000, -0.0006308300000000 ] - [ 0.0012989200000000, 0.0002350100000000, -0.0002462100000000 ] - [ -0.0003611900000000, -0.0004621700000000, -0.0003092600000000 ] - [ 0.0005815200000000, -0.0003059600000000, -0.0002946100000000 ] - [ -0.0326700700000000, -0.0115127400000000, -0.0062036300000000 ] - [ 0.0095191100000000, -0.0000800800000000, 0.0000861300000000 ] - [ -0.0087941300000000, -0.0007867400000000, 0.0000207400000000 ] - [ 0.0070403800000000, -0.0018823400000000, -0.0007978900000000 ] - [ -0.0003092100000000, -0.0004675500000000, -0.0007510100000000 ] - [ -0.0000071600000000, 0.0000081200000000, -0.0001161000000000 ] - [ -0.0001839000000000, -0.0001506000000000, 0.0000926300000000 ] - [ -0.0001316400000000, -0.0006194600000000, -0.0005911700000000 ] - [ 0.0168055200000000, 0.0002886800000000, -0.0333082400000000 ] - [ 0.0171889200000000, 0.0150138100000000, 0.0208523300000000 ] - [ 0.0005420800000000, 0.0020949000000000, -0.0029562900000000 ] - [ 0.0001225800000000, -0.0009176500000000, 0.0032294900000000 ] - [ 0.0159684500000000, 0.0127033200000000, 0.0190552800000000 ] - [ 0.0159310400000000, 0.0003634900000000, -0.0338899200000000 ] - [ 0.0003334000000000, -0.0025396700000000, 0.0037614400000000 ] - [ 0.0003160700000000, 0.0015284700000000, -0.0033163500000000 ] - [ 0.0002118600000000, -0.0022531500000000, 0.0030208000000000 ] - [ 0.0000903300000000, 0.0012610900000000, -0.0032898500000000 ] - [ 0.0001214100000000, -0.0005954000000000, 0.0006041200000000 ] - [ -0.0000203800000000, -0.0010974600000000, -0.0008072400000000 ] - [ 0.0001383300000000, -0.0018430500000000, -0.0033504100000000 ] - [ 0.0003666200000000, 0.0019586800000000, 0.0026560500000000 ] - [ 0.0003747100000000, 0.0005266200000000, -0.0009501700000000 ] - [ 0.0001287200000000, 0.0001910700000000, 0.0009148900000000 ] - [ 0.0151271700000000, 0.0223320200000000, 0.0043986600000000 ] - [ 0.0160744800000000, -0.0299641500000000, 0.0131738800000000 ] - [ 0.0151623200000000, -0.0313061800000000, 0.0139093400000000 ] - [ 0.0160954000000000, 0.0225359600000000, 0.0046320600000000 ] - [ 0.0253877900000000, 0.0146042300000000, -0.0037726600000000 ] - [ -0.0087904500000000, -0.0009739200000000, -0.0031944000000000 ] - [ 0.0053582900000000, 0.0068497300000000, 0.0013750600000000 ] - [ -0.0048295700000000, -0.0034589700000000, -0.0016660500000000 ] - [ 0.0010472400000000, -0.0001850600000000, 0.0011049200000000 ] - [ -0.0000637200000000, -0.0003620800000000, 0.0004869700000000 ] - [ 0.0006334200000000, -0.0002602500000000, 0.0006217000000000 ] - [ 0.0001749100000000, -0.0001043600000000, 0.0005608900000000 ] - [ 0.0004886900000000, 0.0004100900000000, 0.0007776500000000 ] - [ -0.0009243600000000, -0.0003643100000000, -0.0001164900000000 ] - [ 0.0001331400000000, 0.0001823200000000, 0.0000473000000000 ] - [ -0.0003511800000000, 0.0000063600000000, 0.0002486100000000 ] - [ 0.0043741100000000, -0.0068682900000000, -0.0046384100000000 ] - [ -0.0081167900000000, 0.0052236100000000, 0.0042302000000000 ] - [ 0.0048649600000000, 0.0021689100000000, -0.0045686600000000 ] - [ -0.0041360300000000, -0.0010149400000000, 0.0034466800000000 ] - [ 0.0032075600000000, 0.0014887500000000, 0.0008305800000000 ] - [ -0.0009634000000000, -0.0002473100000000, -0.0003715900000000 ] - [ 0.0013790400000000, -0.0006208300000000, -0.0001717300000000 ] - [ -0.0007941400000000, 0.0005994100000000, -0.0001341800000000 ] - [ 0.0030126000000000, 0.0020391500000000, -0.0002600100000000 ] - [ -0.0011341800000000, -0.0004237600000000, -0.0005398200000000 ] - [ 0.0048317300000000, 0.0036471300000000, 0.0052339800000000 ] - [ -0.0045624700000000, -0.0033945000000000, -0.0030064400000000 ] - [ 0.0017064700000000, -0.0009070200000000, -0.0051095800000000 ] - [ -0.0041446100000000, 0.0006638600000000, 0.0063790000000000 ] - [ 0.0001406500000000, 0.0000764100000000, -0.0010620500000000 ] - [ -0.0006865800000000, -0.0001601100000000, 0.0005696000000000 ] - [ 0.0038259700000000, -0.0026504900000000, 0.0040399700000000 ] - [ -0.0042518500000000, 0.0025797400000000, -0.0027431200000000 ] - [ 0.0004557500000000, -0.0002507000000000, 0.0002295600000000 ] - [ -0.0014883400000000, 0.0012049800000000, -0.0005432600000000 ] - [ 0.0254586200000000, -0.0026151100000000, 0.0188502000000000 ] - [ -0.0098917100000000, -0.0040283500000000, -0.0001977100000000 ] - [ 0.0018686100000000, 0.0004902100000000, 0.0001271800000000 ] - [ -0.0016528600000000, -0.0004125300000000, -0.0000877200000000 ] - [ 0.0009547300000000, -0.0005377700000000, 0.0007835400000000 ] - [ -0.0005285900000000, 0.0004418700000000, -0.0002544100000000 ] - [ 0.0005585400000000, -0.0000073100000000, 0.0005619800000000 ] - [ -0.0003571900000000, 0.0003751300000000, 0.0000430200000000 ] - [ 0.0240394800000000, -0.0144868100000000, -0.0094487500000000 ] - [ -0.0094679500000000, -0.0004486700000000, -0.0000756900000000 ] - [ 0.0012851300000000, -0.0045327600000000, 0.0015361700000000 ] - [ -0.0044321200000000, 0.0063612000000000, -0.0024797500000000 ] - [ -0.0000466100000000, -0.0002743900000000, 0.0000036300000000 ] - [ -0.0009139800000000, -0.0000997200000000, 0.0015727300000000 ] - [ -0.0002826100000000, -0.0001550300000000, 0.0004623100000000 ] - [ -0.0005718100000000, -0.0003322400000000, 0.0007465800000000 ] - [ 0.0043445600000000, 0.0027430800000000, -0.0047215400000000 ] - [ -0.0035061800000000, -0.0015861000000000, 0.0027682800000000 ] - [ 0.0035476500000000, -0.0061667400000000, -0.0045403300000000 ] - [ -0.0072640900000000, 0.0054903900000000, 0.0031803000000000 ] - [ 0.0006247100000000, 0.0002049700000000, -0.0001200400000000 ] - [ 0.0000774200000000, 0.0001002400000000, -0.0005623700000000 ] - [ 0.0008178700000000, 0.0009488200000000, -0.0000370500000000 ] - [ 0.0000097800000000, -0.0003253000000000, -0.0008770800000000 ] - [ 0.0074853800000000, -0.0027328000000000, 0.0047210900000000 ] - [ -0.0056325000000000, 0.0026287300000000, -0.0032176100000000 ] - [ 0.0010335000000000, -0.0006372000000000, 0.0004168700000000 ] - [ -0.0014942600000000, 0.0009690400000000, -0.0006684600000000 ] - [ 0.0024072600000000, 0.0004692700000000, 0.0014702800000000 ] - [ -0.0014900200000000, -0.0004996100000000, -0.0004059700000000 ] - [ 0.0009440200000000, -0.0000715300000000, -0.0002175300000000 ] - [ -0.0010821500000000, 0.0002513700000000, 0.0000519600000000 ] - [ 0.0006293200000000, 0.0002134200000000, -0.0004039600000000 ] - [ -0.0001216500000000, -0.0000514900000000, 0.0012368300000000 ] - [ 0.0004471800000000, 0.0002483300000000, 0.0001077500000000 ] - [ 0.0001900800000000, 0.0000910000000000, 0.0003606200000000 ] - [ 0.0206035900000000, -0.0122497500000000, -0.0082291300000000 ] - [ -0.0086542400000000, -0.0009452300000000, 0.0001719200000000 ] - [ 0.0020803500000000, -0.0050998900000000, 0.0011475600000000 ] - [ -0.0039671600000000, 0.0059912600000000, -0.0029229600000000 ] - [ -0.0000398900000000, 0.0000601100000000, 0.0004146400000000 ] - [ -0.0005678800000000, 0.0001408500000000, 0.0001330900000000 ] - [ 0.0001166100000000, 0.0000236100000000, 0.0004517100000000 ] - [ -0.0005910800000000, 0.0002654400000000, 0.0002898000000000 ] - [ 0.0270228600000000, 0.0154122000000000, -0.0053354900000000 ] - [ -0.0101018100000000, -0.0010974500000000, -0.0034893100000000 ] - [ 0.0043814300000000, 0.0065085400000000, 0.0009682900000000 ] - [ -0.0052609400000000, -0.0037204600000000, -0.0019077400000000 ] - [ 0.0022002500000000, -0.0013672100000000, -0.0057744300000000 ] - [ -0.0042978200000000, -0.0004302000000000, 0.0068145800000000 ] - [ 0.0005796100000000, 0.0001575400000000, -0.0009640200000000 ] - [ -0.0003134100000000, 0.0000575000000000, 0.0005720100000000 ] - [ 0.0020233000000000, 0.0041586200000000, 0.0043415700000000 ] - [ -0.0031178700000000, -0.0043701100000000, -0.0022474400000000 ] - [ 0.0024579300000000, 0.0004667000000000, 0.0002690700000000 ] - [ -0.0009656200000000, -0.0002131300000000, -0.0004149500000000 ] - [ 0.0244885000000000, 0.0017937200000000, 0.0134920700000000 ] - [ -0.0099679700000000, -0.0041793200000000, -0.0002274700000000 ] - [ 0.0014816900000000, 0.0004818800000000, -0.0005860100000000 ] - [ -0.0022125200000000, -0.0005685900000000, -0.0007254100000000 ] - [ 0.0005305100000000, -0.0000178000000000, 0.0002123900000000 ] - [ -0.0013203300000000, 0.0004753600000000, -0.0008575900000000 ] - [ -0.0001098200000000, 0.0001025300000000, -0.0002682900000000 ] - [ -0.0006380600000000, 0.0003953100000000, -0.0005689800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1833525800000000, -0.0142750300000000, -0.0072110500000000 ] - [ -0.0257533300000000, 0.0019886600000000, 0.0005261900000000 ] - [ 0.0084344900000000, 0.0015533500000000, -0.0039304500000000 ] - [ -0.0071293200000000, 0.0008885400000000, 0.0027339300000000 ] - [ 0.0330530600000000, 0.0094892500000000, 0.0070853200000000 ] - [ -0.0095717000000000, 0.0005616400000000, 0.0000926800000000 ] - [ 0.0100679400000000, 0.0014218200000000, 0.0003723300000000 ] - [ -0.0074440900000000, 0.0020895600000000, 0.0008673900000000 ] - [ 0.0043984500000000, 0.0017188700000000, 0.0009755000000000 ] - [ -0.0041452800000000, -0.0014619600000000, -0.0007032100000000 ] - [ 0.0011603100000000, 0.0005904400000000, 0.0001072200000000 ] - [ -0.0013300200000000, 0.0002380900000000, 0.0002002600000000 ] - [ 0.0009813600000000, -0.0009021100000000, -0.0002932500000000 ] - [ -0.0010958100000000, -0.0005383600000000, 0.0002027300000000 ] - [ 0.0045140500000000, -0.0021691000000000, 0.0010993600000000 ] - [ -0.0038770400000000, 0.0009673900000000, -0.0000754900000000 ] - [ 0.0011921800000000, 0.0001403700000000, 0.0004668000000000 ] - [ -0.0010427200000000, -0.0008043900000000, 0.0000811100000000 ] - [ 0.0006174000000000, -0.0001070800000000, 0.0001408300000000 ] - [ -0.0003258600000000, -0.0002648400000000, 0.0001262100000000 ] - [ 0.0324222600000000, 0.0108136700000000, 0.0065757300000000 ] - [ -0.0097757100000000, -0.0004587600000000, 0.0000353500000000 ] - [ 0.0085426200000000, 0.0002144800000000, 0.0001456000000000 ] - [ -0.0073003000000000, 0.0013000400000000, 0.0009535800000000 ] - [ 0.0000497900000000, -0.0001025600000000, 0.0005830200000000 ] - [ -0.0002458400000000, -0.0005791100000000, -0.0000505900000000 ] - [ -0.0000743600000000, -0.0004191200000000, -0.0002579400000000 ] - [ -0.0001215700000000, 0.0000475500000000, 0.0004253000000000 ] - [ -0.0168030900000000, 0.0009776400000000, 0.0334331500000000 ] - [ -0.0172402400000000, -0.0138136700000000, -0.0207339200000000 ] - [ -0.0005260700000000, -0.0008831300000000, 0.0029645100000000 ] - [ -0.0001338100000000, 0.0021289700000000, -0.0032269600000000 ] - [ -0.0156416800000000, -0.0132450700000000, -0.0189845300000000 ] - [ -0.0156800500000000, -0.0009641800000000, 0.0339353500000000 ] - [ -0.0000635900000000, 0.0019623900000000, -0.0035949300000000 ] - [ -0.0000808400000000, -0.0021072200000000, 0.0034772600000000 ] - [ -0.0001914000000000, 0.0010519800000000, -0.0030181500000000 ] - [ -0.0001054400000000, -0.0024693300000000, 0.0032933300000000 ] - [ -0.0001185900000000, -0.0006180500000000, -0.0006052600000000 ] - [ 0.0000173000000000, -0.0001162100000000, 0.0008046800000000 ] - [ 0.0001221500000000, 0.0024158500000000, 0.0035236700000000 ] - [ -0.0001155600000000, -0.0013889100000000, -0.0024841400000000 ] - [ -0.0001073500000000, 0.0000391900000000, 0.0011145100000000 ] - [ 0.0001124500000000, 0.0003871400000000, -0.0007458300000000 ] - [ -0.0154568300000000, -0.0216839200000000, -0.0046324200000000 ] - [ -0.0163217700000000, 0.0306528600000000, -0.0133555500000000 ] - [ -0.0154227400000000, 0.0317499800000000, -0.0140653600000000 ] - [ -0.0162999200000000, -0.0220607000000000, -0.0047544500000000 ] - [ -0.0242656000000000, -0.0133324200000000, 0.0043997000000000 ] - [ 0.0096055100000000, 0.0014123200000000, 0.0042779700000000 ] - [ -0.0045382600000000, -0.0063686800000000, -0.0003098800000000 ] - [ 0.0056455900000000, 0.0039416600000000, 0.0027282200000000 ] - [ -0.0002325900000000, -0.0002885000000000, -0.0000416200000000 ] - [ 0.0008759800000000, -0.0001114800000000, 0.0005714700000000 ] - [ 0.0001800400000000, -0.0002131300000000, 0.0004396200000000 ] - [ 0.0006386500000000, -0.0003686300000000, 0.0005001000000000 ] - [ -0.0007240100000000, -0.0003324400000000, -0.0005383300000000 ] - [ 0.0006837200000000, 0.0004397500000000, 0.0003572300000000 ] - [ -0.0003667900000000, -0.0001007000000000, 0.0001895300000000 ] - [ 0.0001125400000000, 0.0000718000000000, -0.0000073000000000 ] - [ -0.0045968900000000, 0.0067683200000000, 0.0048694300000000 ] - [ 0.0078572200000000, -0.0053095500000000, -0.0039916600000000 ] - [ -0.0050750600000000, -0.0022607300000000, 0.0047974400000000 ] - [ 0.0038919400000000, 0.0009539200000000, -0.0032130000000000 ] - [ -0.0025641900000000, -0.0017101200000000, -0.0011339200000000 ] - [ 0.0015872800000000, 0.0000341300000000, 0.0000231300000000 ] - [ -0.0007480800000000, 0.0004048000000000, -0.0001651400000000 ] - [ 0.0014243400000000, -0.0008163400000000, -0.0002043200000000 ] - [ -0.0023659100000000, -0.0017962800000000, -0.0000976700000000 ] - [ 0.0017584000000000, 0.0006310500000000, 0.0002095900000000 ] - [ -0.0041947600000000, -0.0034282900000000, -0.0055656400000000 ] - [ 0.0051897300000000, 0.0036077500000000, 0.0026770700000000 ] - [ -0.0023300600000000, 0.0006964100000000, 0.0047743300000000 ] - [ 0.0035140500000000, -0.0008846500000000, -0.0067275900000000 ] - [ -0.0007689700000000, -0.0002935400000000, 0.0007238600000000 ] - [ 0.0000529500000000, -0.0000561000000000, -0.0009068500000000 ] - [ -0.0044225700000000, 0.0028451900000000, -0.0043900600000000 ] - [ 0.0036083600000000, -0.0023634400000000, 0.0024227200000000 ] - [ -0.0010870000000000, 0.0004699900000000, -0.0005639900000000 ] - [ 0.0008551800000000, -0.0009862900000000, 0.0002083600000000 ] - [ -0.0248525500000000, 0.0023901300000000, -0.0175125300000000 ] - [ 0.0101267200000000, 0.0039518000000000, 0.0003980600000000 ] - [ -0.0016289700000000, -0.0005686500000000, 0.0001153400000000 ] - [ 0.0018888000000000, 0.0003344300000000, 0.0003267600000000 ] - [ -0.0007141900000000, 0.0006133100000000, -0.0005458300000000 ] - [ 0.0007628800000000, -0.0003631600000000, 0.0004939500000000 ] - [ -0.0003205600000000, 0.0000851400000000, -0.0003209100000000 ] - [ 0.0005941200000000, -0.0002956500000000, 0.0001982300000000 ] - [ -0.0234876900000000, 0.0134384300000000, 0.0094825000000000 ] - [ 0.0086859000000000, 0.0009814700000000, 0.0011809700000000 ] - [ -0.0020912500000000, 0.0050139000000000, -0.0004688700000000 ] - [ 0.0036142900000000, -0.0058923800000000, 0.0035515200000000 ] - [ -0.0007657300000000, -0.0001989400000000, 0.0010565100000000 ] - [ 0.0000997100000000, -0.0003743500000000, -0.0005116400000000 ] - [ -0.0005299500000000, -0.0003187500000000, 0.0006011900000000 ] - [ -0.0002433300000000, -0.0001408500000000, 0.0003164700000000 ] - [ -0.0035657700000000, -0.0031970400000000, 0.0036720600000000 ] - [ 0.0043332400000000, 0.0010982500000000, -0.0038273200000000 ] - [ -0.0027495500000000, 0.0057053000000000, 0.0034927100000000 ] - [ 0.0080991000000000, -0.0059596000000000, -0.0042387200000000 ] - [ 0.0001865200000000, 0.0002686200000000, -0.0009421000000000 ] - [ 0.0007404000000000, 0.0003753900000000, -0.0005023700000000 ] - [ -0.0000049900000000, -0.0004762500000000, -0.0010268700000000 ] - [ 0.0008048200000000, 0.0007988700000000, -0.0001865200000000 ] - [ -0.0077466900000000, 0.0026721000000000, -0.0049671200000000 ] - [ 0.0054005000000000, -0.0027115700000000, 0.0029624400000000 ] - [ -0.0012729200000000, 0.0005579900000000, -0.0006595000000000 ] - [ 0.0012571300000000, -0.0010474600000000, 0.0004266200000000 ] - [ -0.0026634700000000, -0.0003838200000000, -0.0017448300000000 ] - [ 0.0012596700000000, 0.0005758900000000, 0.0001755500000000 ] - [ -0.0011820400000000, 0.0001499100000000, -0.0000209900000000 ] - [ 0.0008458200000000, -0.0001713800000000, -0.0002897000000000 ] - [ 0.0000002000000000, 0.0000010000000000, 0.0007390900000000 ] - [ 0.0007540600000000, 0.0002666100000000, -0.0009016800000000 ] - [ 0.0001826800000000, -0.0000321300000000, 0.0002287300000000 ] - [ 0.0004413200000000, 0.0001255300000000, -0.0000245300000000 ] - [ -0.0212649900000000, 0.0134905900000000, 0.0095182400000000 ] - [ 0.0092500300000000, 0.0006695100000000, 0.0001232900000000 ] - [ -0.0014597600000000, 0.0048799200000000, -0.0008164400000000 ] - [ 0.0045982500000000, -0.0061963300000000, 0.0032497200000000 ] - [ -0.0005926900000000, 0.0001561300000000, -0.0000844600000000 ] - [ -0.0000619700000000, 0.0000738300000000, 0.0002035400000000 ] - [ -0.0007480200000000, 0.0001916700000000, -0.0001166900000000 ] - [ -0.0000389700000000, -0.0000495700000000, 0.0000477500000000 ] - [ -0.0279617600000000, -0.0165277200000000, 0.0061919800000000 ] - [ 0.0094702800000000, 0.0009160100000000, 0.0038038100000000 ] - [ -0.0050174800000000, -0.0067263900000000, -0.0006329600000000 ] - [ 0.0046395300000000, 0.0035056200000000, 0.0022512900000000 ] - [ -0.0019705500000000, 0.0014353800000000, 0.0055299200000000 ] - [ 0.0045351700000000, 0.0005030400000000, -0.0070425900000000 ] - [ -0.0003468500000000, -0.0000747300000000, 0.0007248600000000 ] - [ 0.0005534400000000, 0.0000209000000000, -0.0008131500000000 ] - [ -0.0017896100000000, -0.0042392900000000, -0.0045795900000000 ] - [ 0.0033585500000000, 0.0042925700000000, 0.0019984800000000 ] - [ -0.0022429300000000, -0.0005581900000000, -0.0004939900000000 ] - [ 0.0012136700000000, 0.0001426600000000, 0.0001652800000000 ] - [ -0.0256179400000000, -0.0021718700000000, -0.0155122500000000 ] - [ 0.0091512800000000, 0.0036977900000000, -0.0007934900000000 ] - [ -0.0022962500000000, -0.0009517600000000, -0.0004766700000000 ] - [ 0.0014026100000000, 0.0000987900000000, -0.0003341900000000 ] - [ -0.0013471200000000, 0.0004930500000000, -0.0012759000000000 ] - [ 0.0005075600000000, -0.0000039500000000, -0.0002074200000000 ] - [ -0.0007048400000000, 0.0003704700000000, -0.0007935200000000 ] - [ -0.0001740500000000, 0.0000770600000000, -0.0004937300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0147877600000000, -0.2068272700000000, 0.0470959900000000 ] - [ -0.0015745400000000, -0.0144299600000000, -0.0021343200000000 ] - [ -0.0011427900000000, 0.0181275200000000, -0.0001976700000000 ] - [ -0.0004784100000000, 0.0124633800000000, 0.0001455800000000 ] - [ -0.0113918200000000, 0.0065378500000000, -0.0492795200000000 ] - [ -0.0001052600000000, -0.0045800000000000, -0.0040782900000000 ] - [ -0.0006166200000000, 0.0125621700000000, 0.0088053600000000 ] - [ -0.0013266600000000, 0.0058606100000000, 0.0048501300000000 ] - [ 0.0013095500000000, -0.0047250100000000, -0.0019753600000000 ] - [ -0.0018759100000000, -0.0037156500000000, 0.0002109700000000 ] - [ 0.0001747000000000, 0.0040034500000000, 0.0000699400000000 ] - [ -0.0001750200000000, 0.0031835600000000, -0.0001108600000000 ] - [ 0.0004839800000000, 0.0018378100000000, -0.0044269700000000 ] - [ -0.0000532400000000, 0.0001569500000000, -0.0018224800000000 ] - [ 0.0015721200000000, -0.0024213800000000, 0.0034086200000000 ] - [ -0.0016591700000000, -0.0002518000000000, 0.0020380200000000 ] - [ 0.0005532000000000, -0.0016248100000000, -0.0011593600000000 ] - [ -0.0003921400000000, -0.0013569900000000, -0.0003138400000000 ] - [ 0.0003054800000000, 0.0009421200000000, -0.0004966100000000 ] - [ 0.0001486800000000, 0.0007426000000000, -0.0004459000000000 ] - [ -0.0113118800000000, 0.0049804100000000, -0.0522514500000000 ] - [ 0.0000630200000000, -0.0061032400000000, -0.0038005900000000 ] - [ -0.0006111700000000, 0.0103840500000000, 0.0071745900000000 ] - [ -0.0017235500000000, 0.0052488500000000, 0.0048811300000000 ] - [ -0.0003103500000000, -0.0015088100000000, -0.0006147300000000 ] - [ 0.0001653800000000, -0.0019756000000000, -0.0008655000000000 ] - [ 0.0000068800000000, 0.0008422700000000, -0.0006860100000000 ] - [ -0.0004618000000000, 0.0013854100000000, -0.0002244200000000 ] - [ -0.0125102600000000, -0.0133662700000000, 0.0257302200000000 ] - [ -0.0003862300000000, -0.0140790000000000, 0.0061088200000000 ] - [ 0.0016418900000000, 0.0092777500000000, -0.0030704700000000 ] - [ -0.0019922500000000, 0.0090821100000000, -0.0039860300000000 ] - [ -0.0004975600000000, -0.0136915200000000, 0.0069351000000000 ] - [ -0.0128512600000000, -0.0137448700000000, 0.0285416400000000 ] - [ -0.0016979500000000, 0.0087176300000000, -0.0044406800000000 ] - [ 0.0023814500000000, 0.0087096000000000, -0.0041269900000000 ] - [ -0.0021885400000000, -0.0046139900000000, -0.0022051700000000 ] - [ 0.0019905700000000, -0.0042855000000000, -0.0016252900000000 ] - [ 0.0002733400000000, 0.0023562900000000, 0.0001872700000000 ] - [ -0.0000698700000000, 0.0024446900000000, 0.0005601000000000 ] - [ 0.0000271400000000, 0.0017522600000000, 0.0042741700000000 ] - [ 0.0003745700000000, -0.0001456700000000, 0.0016546000000000 ] - [ 0.0018029000000000, -0.0001333900000000, -0.0043477500000000 ] - [ -0.0020000000000000, 0.0017602600000000, -0.0031509900000000 ] - [ 0.0314835200000000, 0.0267468000000000, 0.0116408800000000 ] - [ -0.0224951800000000, 0.0260296000000000, -0.0088291700000000 ] - [ -0.0220682000000000, 0.0266957300000000, -0.0088823000000000 ] - [ 0.0301127100000000, 0.0259844300000000, 0.0119909100000000 ] - [ 0.0144150900000000, 0.0347341600000000, -0.0139611100000000 ] - [ 0.0067149300000000, 0.0043905400000000, 0.0034312200000000 ] - [ -0.0022726700000000, -0.0095925100000000, -0.0007085300000000 ] - [ -0.0059359600000000, -0.0071015400000000, -0.0024232500000000 ] - [ 0.0002497000000000, 0.0008219800000000, 0.0013233700000000 ] - [ 0.0002159900000000, 0.0006517900000000, 0.0004861100000000 ] - [ 0.0006612000000000, -0.0010622000000000, 0.0006690400000000 ] - [ 0.0008419700000000, -0.0010749800000000, 0.0007634900000000 ] - [ 0.0001144500000000, 0.0012666100000000, 0.0001673300000000 ] - [ 0.0007155300000000, 0.0014117400000000, 0.0003302800000000 ] - [ -0.0010894000000000, -0.0012881300000000, 0.0008427400000000 ] - [ -0.0004528200000000, -0.0008722900000000, 0.0002885800000000 ] - [ -0.0029663600000000, -0.0033670600000000, -0.0097965100000000 ] - [ 0.0059489800000000, -0.0035199000000000, -0.0048681600000000 ] - [ 0.0050181800000000, -0.0066116200000000, 0.0043136400000000 ] - [ -0.0044077000000000, -0.0020709000000000, 0.0046455100000000 ] - [ 0.0032733100000000, 0.0021657500000000, 0.0078711000000000 ] - [ 0.0000408300000000, 0.0015432100000000, 0.0013173700000000 ] - [ -0.0002396800000000, -0.0015746600000000, -0.0025078500000000 ] - [ 0.0007249900000000, -0.0018059900000000, -0.0014456400000000 ] - [ -0.0008355600000000, -0.0034288000000000, 0.0042323300000000 ] - [ 0.0012341200000000, -0.0000274800000000, 0.0012306300000000 ] - [ -0.0015886100000000, -0.0016309100000000, -0.0060347800000000 ] - [ 0.0009626100000000, 0.0012717600000000, -0.0011422600000000 ] - [ 0.0002008300000000, 0.0019483200000000, -0.0008561600000000 ] - [ 0.0029286400000000, 0.0000633400000000, -0.0059965100000000 ] - [ -0.0008425200000000, -0.0016952800000000, 0.0012656500000000 ] - [ -0.0014575000000000, -0.0014384600000000, 0.0012377300000000 ] - [ -0.0060196000000000, 0.0092359300000000, 0.0030828000000000 ] - [ -0.0008191700000000, 0.0029491400000000, -0.0001225200000000 ] - [ 0.0016094600000000, -0.0038049200000000, -0.0005589200000000 ] - [ 0.0016944300000000, -0.0034419100000000, -0.0000062300000000 ] - [ 0.0046697000000000, 0.0189822400000000, -0.0008225700000000 ] - [ 0.0037567900000000, 0.0077947900000000, 0.0009393700000000 ] - [ -0.0016514200000000, -0.0052958200000000, -0.0002048300000000 ] - [ -0.0017702900000000, -0.0040982300000000, -0.0005630200000000 ] - [ -0.0006120600000000, 0.0009089400000000, 0.0009523300000000 ] - [ 0.0003819700000000, 0.0003332400000000, 0.0006885800000000 ] - [ 0.0004532400000000, -0.0007245200000000, -0.0002859100000000 ] - [ 0.0006007900000000, -0.0006740100000000, 0.0000086200000000 ] - [ -0.0117661300000000, 0.0254276000000000, 0.0059640700000000 ] - [ -0.0054635500000000, 0.0064117200000000, -0.0033858600000000 ] - [ 0.0008617500000000, -0.0094450000000000, 0.0019194100000000 ] - [ 0.0038130600000000, -0.0074404200000000, 0.0027156000000000 ] - [ -0.0004611900000000, -0.0003197300000000, 0.0003207600000000 ] - [ -0.0000152400000000, -0.0004909500000000, -0.0005026600000000 ] - [ -0.0005115100000000, -0.0002655600000000, 0.0015876300000000 ] - [ -0.0008001400000000, -0.0000376800000000, 0.0016950700000000 ] - [ 0.0058870600000000, -0.0065087400000000, 0.0047499600000000 ] - [ -0.0043588900000000, -0.0027454000000000, 0.0047764500000000 ] - [ -0.0022473100000000, -0.0018336900000000, -0.0093897000000000 ] - [ 0.0063296000000000, -0.0040868500000000, -0.0055282800000000 ] - [ 0.0002459400000000, 0.0010641500000000, 0.0002160400000000 ] - [ 0.0013276100000000, 0.0013033100000000, -0.0001246200000000 ] - [ -0.0001189900000000, -0.0009425300000000, -0.0008272200000000 ] - [ 0.0000397500000000, -0.0003994700000000, -0.0004150200000000 ] - [ -0.0049689900000000, 0.0095056300000000, 0.0016222000000000 ] - [ -0.0004433400000000, 0.0023911100000000, 0.0003363900000000 ] - [ 0.0017044500000000, -0.0041110700000000, -0.0005322700000000 ] - [ 0.0019354400000000, -0.0032480900000000, 0.0000678700000000 ] - [ 0.0040494400000000, -0.0001979600000000, 0.0081849000000000 ] - [ 0.0002864700000000, 0.0008355300000000, 0.0014650300000000 ] - [ -0.0013929700000000, -0.0011519700000000, -0.0025959300000000 ] - [ -0.0005606200000000, -0.0009510200000000, -0.0016273600000000 ] - [ 0.0004054400000000, 0.0010554600000000, 0.0008919500000000 ] - [ 0.0005089000000000, 0.0011447500000000, 0.0003573100000000 ] - [ -0.0000127200000000, -0.0008035500000000, 0.0002172100000000 ] - [ 0.0000256600000000, -0.0006578800000000, 0.0002317700000000 ] - [ -0.0120436500000000, 0.0270032700000000, 0.0071364900000000 ] - [ -0.0046302400000000, 0.0065006600000000, -0.0040546100000000 ] - [ 0.0014208400000000, -0.0099297200000000, 0.0014970000000000 ] - [ 0.0046113800000000, -0.0077757700000000, 0.0024902500000000 ] - [ 0.0000334800000000, 0.0000326600000000, 0.0016530700000000 ] - [ -0.0000638600000000, 0.0000387300000000, 0.0007604300000000 ] - [ -0.0007070900000000, 0.0001544300000000, -0.0004812900000000 ] - [ -0.0003516600000000, 0.0000504800000000, -0.0002554400000000 ] - [ 0.0133023800000000, 0.0299735400000000, -0.0109296600000000 ] - [ 0.0062593400000000, 0.0038113100000000, 0.0031342100000000 ] - [ -0.0026619900000000, -0.0099349600000000, -0.0005693700000000 ] - [ -0.0068180000000000, -0.0074925500000000, -0.0028916500000000 ] - [ -0.0003119500000000, 0.0024225300000000, -0.0002522500000000 ] - [ 0.0028180800000000, 0.0023239900000000, -0.0061025200000000 ] - [ 0.0005342700000000, -0.0019663500000000, 0.0009882600000000 ] - [ -0.0001362900000000, -0.0013790300000000, 0.0011631800000000 ] - [ 0.0007858900000000, -0.0019331000000000, -0.0055447900000000 ] - [ 0.0004758500000000, 0.0015666300000000, -0.0015468500000000 ] - [ -0.0034844700000000, -0.0036887500000000, 0.0052788900000000 ] - [ 0.0008357500000000, -0.0002807300000000, 0.0011900300000000 ] - [ 0.0075849300000000, 0.0191762000000000, 0.0035112400000000 ] - [ 0.0037488100000000, 0.0071788100000000, -0.0006595700000000 ] - [ -0.0021413000000000, -0.0053861700000000, -0.0005260900000000 ] - [ -0.0022770000000000, -0.0044668500000000, -0.0008746500000000 ] - [ -0.0013890500000000, 0.0017939500000000, -0.0006218100000000 ] - [ -0.0003724500000000, 0.0009121400000000, -0.0006967600000000 ] - [ 0.0001469300000000, -0.0009223500000000, 0.0002301800000000 ] - [ 0.0003744700000000, -0.0007915100000000, 0.0000450000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0145160500000000, 0.2071181200000000, -0.0472167700000000 ] - [ 0.0018298500000000, 0.0149948200000000, 0.0019655800000000 ] - [ 0.0013973400000000, -0.0175483000000000, 0.0000280900000000 ] - [ 0.0007337500000000, -0.0118872300000000, -0.0003143700000000 ] - [ 0.0114286900000000, -0.0052737800000000, 0.0495527600000000 ] - [ 0.0001044500000000, 0.0058040300000000, 0.0040775300000000 ] - [ 0.0005705500000000, -0.0112975800000000, -0.0087334000000000 ] - [ 0.0013316700000000, -0.0046600300000000, -0.0048388300000000 ] - [ -0.0015668900000000, 0.0052979800000000, 0.0021242400000000 ] - [ 0.0016187900000000, 0.0042850300000000, -0.0000518000000000 ] - [ -0.0004331400000000, -0.0034260600000000, 0.0001111200000000 ] - [ -0.0000794000000000, -0.0026116800000000, 0.0002846200000000 ] - [ -0.0004763600000000, -0.0030560000000000, 0.0044307300000000 ] - [ 0.0000517500000000, -0.0013740300000000, 0.0018195700000000 ] - [ -0.0015749600000000, 0.0012292700000000, -0.0034096800000000 ] - [ 0.0016589800000000, -0.0009515200000000, -0.0020317100000000 ] - [ -0.0002969500000000, 0.0010501900000000, 0.0009920800000000 ] - [ 0.0006473000000000, 0.0007822500000000, 0.0001461800000000 ] - [ -0.0000496200000000, -0.0015081700000000, 0.0003288400000000 ] - [ 0.0001076700000000, -0.0013089000000000, 0.0002781900000000 ] - [ 0.0110151900000000, -0.0056514600000000, 0.0521345300000000 ] - [ -0.0003155400000000, 0.0055151000000000, 0.0039664300000000 ] - [ 0.0003906000000000, -0.0109881300000000, -0.0070635100000000 ] - [ 0.0014588200000000, -0.0058024900000000, -0.0047211600000000 ] - [ 0.0000547600000000, 0.0009420200000000, 0.0004479400000000 ] - [ -0.0004218200000000, 0.0014079400000000, 0.0006974500000000 ] - [ -0.0002616600000000, -0.0014151600000000, 0.0005189500000000 ] - [ 0.0002052400000000, -0.0019578400000000, 0.0000569700000000 ] - [ 0.0125122900000000, 0.0145235300000000, -0.0257276000000000 ] - [ 0.0003199700000000, 0.0151400900000000, -0.0061432200000000 ] - [ -0.0016518300000000, -0.0080471600000000, 0.0030887600000000 ] - [ 0.0020121300000000, -0.0078671900000000, 0.0040001000000000 ] - [ 0.0008299200000000, 0.0132713200000000, -0.0067277300000000 ] - [ 0.0130975200000000, 0.0132177700000000, -0.0283646200000000 ] - [ 0.0019381200000000, -0.0092841800000000, 0.0045903400000000 ] - [ -0.0021204400000000, -0.0092918900000000, 0.0042715700000000 ] - [ 0.0021868200000000, 0.0033935000000000, 0.0022145200000000 ] - [ -0.0019919400000000, 0.0030712400000000, 0.0016354400000000 ] - [ -0.0002788000000000, -0.0035683400000000, -0.0001969000000000 ] - [ 0.0000736600000000, -0.0036529100000000, -0.0005674200000000 ] - [ 0.0002231400000000, -0.0011905100000000, -0.0040988900000000 ] - [ -0.0001130000000000, 0.0006991300000000, -0.0014837500000000 ] - [ -0.0015448000000000, 0.0007115800000000, 0.0045085500000000 ] - [ 0.0022589400000000, -0.0011825900000000, 0.0033229500000000 ] - [ -0.0315727000000000, -0.0260993500000000, -0.0118402700000000 ] - [ 0.0221019100000000, -0.0254214300000000, 0.0086698400000000 ] - [ 0.0219482700000000, -0.0261499400000000, 0.0086945600000000 ] - [ -0.0305043800000000, -0.0254668800000000, -0.0121278200000000 ] - [ -0.0119206900000000, -0.0317933300000000, 0.0134814600000000 ] - [ -0.0058952300000000, -0.0039043100000000, -0.0023652000000000 ] - [ 0.0030690100000000, 0.0100719200000000, 0.0017760200000000 ] - [ 0.0067591400000000, 0.0075740900000000, 0.0034942800000000 ] - [ 0.0005651400000000, -0.0012952600000000, -0.0002579600000000 ] - [ 0.0005984800000000, -0.0011246000000000, 0.0005782100000000 ] - [ 0.0001514200000000, 0.0005884800000000, 0.0003897600000000 ] - [ -0.0000280100000000, 0.0006011300000000, 0.0002976700000000 ] - [ -0.0003533500000000, -0.0011909700000000, 0.0000721700000000 ] - [ -0.0009532000000000, -0.0013346700000000, -0.0000918400000000 ] - [ 0.0008521200000000, 0.0013680600000000, -0.0006023300000000 ] - [ 0.0002168900000000, 0.0009527400000000, -0.0000468500000000 ] - [ 0.0026679900000000, 0.0032196400000000, 0.0099492300000000 ] - [ -0.0061940000000000, 0.0034628600000000, 0.0051082100000000 ] - [ -0.0052674800000000, 0.0065235100000000, -0.0040996800000000 ] - [ 0.0041702200000000, 0.0019810500000000, -0.0044098700000000 ] - [ -0.0026425500000000, -0.0023903700000000, -0.0082185700000000 ] - [ 0.0005897500000000, -0.0017610100000000, -0.0016517900000000 ] - [ 0.0008642400000000, 0.0013586100000000, 0.0021529700000000 ] - [ -0.0000942400000000, 0.0015921100000000, 0.0011069700000000 ] - [ 0.0014833900000000, 0.0036799400000000, -0.0045797900000000 ] - [ -0.0005959100000000, 0.0002504600000000, -0.0015638200000000 ] - [ 0.0022055200000000, 0.0018290100000000, 0.0057077700000000 ] - [ -0.0003458200000000, -0.0010802300000000, 0.0008028200000000 ] - [ -0.0008335300000000, -0.0021500400000000, 0.0005365200000000 ] - [ -0.0035615000000000, -0.0002727700000000, 0.0056639400000000 ] - [ 0.0002108700000000, 0.0014763200000000, -0.0016078700000000 ] - [ 0.0008253300000000, 0.0012174900000000, -0.0015774600000000 ] - [ 0.0054023000000000, -0.0090105600000000, -0.0034304000000000 ] - [ 0.0001806300000000, -0.0027288500000000, -0.0002223600000000 ] - [ -0.0022498200000000, 0.0040285100000000, 0.0002334000000000 ] - [ -0.0023187600000000, 0.0036514000000000, -0.0003255200000000 ] - [ -0.0047172200000000, -0.0189795200000000, 0.0006357900000000 ] - [ -0.0035216900000000, -0.0078764400000000, -0.0006984900000000 ] - [ 0.0018837900000000, 0.0052045300000000, 0.0004415000000000 ] - [ 0.0020098800000000, 0.0040205200000000, 0.0008005100000000 ] - [ 0.0008471500000000, -0.0008281900000000, -0.0007128800000000 ] - [ -0.0001459000000000, -0.0002520000000000, -0.0004487700000000 ] - [ -0.0002154100000000, 0.0008001300000000, 0.0005275100000000 ] - [ -0.0003600100000000, 0.0007484300000000, 0.0002324300000000 ] - [ 0.0122937600000000, -0.0259225600000000, -0.0056656900000000 ] - [ 0.0046553200000000, -0.0059662300000000, 0.0044716400000000 ] - [ -0.0016931700000000, 0.0099080400000000, -0.0008403300000000 ] - [ -0.0046209100000000, 0.0079095100000000, -0.0016492900000000 ] - [ -0.0003523400000000, -0.0001512500000000, 0.0007409600000000 ] - [ -0.0007964300000000, 0.0000196100000000, 0.0015632400000000 ] - [ -0.0003031200000000, -0.0002097100000000, -0.0005265000000000 ] - [ -0.0000151500000000, -0.0004377500000000, -0.0006311000000000 ] - [ -0.0050557200000000, 0.0060427200000000, -0.0057810400000000 ] - [ 0.0051729400000000, 0.0022811100000000, -0.0058288900000000 ] - [ 0.0031193800000000, 0.0013883100000000, 0.0083963200000000 ] - [ -0.0055059900000000, 0.0035895800000000, 0.0044659900000000 ] - [ 0.0005668900000000, -0.0005934700000000, -0.0012757900000000 ] - [ -0.0005156800000000, -0.0008328200000000, -0.0009373200000000 ] - [ 0.0009351900000000, 0.0014183600000000, -0.0002377000000000 ] - [ 0.0007744700000000, 0.0008757000000000, -0.0006477700000000 ] - [ 0.0047151300000000, -0.0095863700000000, -0.0018486300000000 ] - [ 0.0002140800000000, -0.0024770500000000, -0.0005691300000000 ] - [ -0.0019353000000000, 0.0040196100000000, 0.0002814800000000 ] - [ -0.0021803600000000, 0.0031741600000000, -0.0003140900000000 ] - [ -0.0042800300000000, 0.0002802700000000, -0.0084123000000000 ] - [ -0.0005218700000000, -0.0007527700000000, -0.0017059400000000 ] - [ 0.0011568500000000, 0.0012286900000000, 0.0023727700000000 ] - [ 0.0003202300000000, 0.0010246400000000, 0.0013871900000000 ] - [ 0.0002265500000000, -0.0008391700000000, -0.0005580300000000 ] - [ 0.0001232100000000, -0.0009292800000000, -0.0000244100000000 ] - [ 0.0006430100000000, 0.0010197000000000, 0.0001213200000000 ] - [ 0.0006041500000000, 0.0008737200000000, 0.0001061100000000 ] - [ 0.0113152300000000, -0.0262334200000000, -0.0060256100000000 ] - [ 0.0052509600000000, -0.0066828900000000, 0.0043629100000000 ] - [ -0.0007708300000000, 0.0097153200000000, -0.0011737400000000 ] - [ -0.0039845200000000, 0.0075566500000000, -0.0021539100000000 ] - [ -0.0006653700000000, 0.0001849300000000, -0.0013174400000000 ] - [ -0.0005671700000000, 0.0001787700000000, -0.0004237600000000 ] - [ 0.0000774700000000, 0.0000581200000000, 0.0008175500000000 ] - [ -0.0002788600000000, 0.0001631300000000, 0.0005904500000000 ] - [ -0.0156069600000000, -0.0325114100000000, 0.0127288600000000 ] - [ -0.0068891100000000, -0.0040363800000000, -0.0028004900000000 ] - [ 0.0020465700000000, 0.0097057600000000, 0.0009037900000000 ] - [ 0.0061724600000000, 0.0072716600000000, 0.0032160900000000 ] - [ 0.0005538500000000, -0.0023516900000000, -0.0000070000000000 ] - [ -0.0025723800000000, -0.0022483200000000, 0.0058531600000000 ] - [ -0.0003000500000000, 0.0020472700000000, -0.0012227000000000 ] - [ 0.0003713500000000, 0.0014590300000000, -0.0013990100000000 ] - [ -0.0005290300000000, 0.0018703400000000, 0.0052896300000000 ] - [ -0.0002344400000000, -0.0016154900000000, 0.0013052900000000 ] - [ 0.0036969300000000, 0.0035857100000000, -0.0055080100000000 ] - [ -0.0006061600000000, 0.0001947000000000, -0.0014329000000000 ] - [ -0.0081198200000000, -0.0195752000000000, -0.0041055800000000 ] - [ -0.0045562100000000, -0.0076454500000000, -0.0004040800000000 ] - [ 0.0013307400000000, 0.0049193700000000, -0.0005311900000000 ] - [ 0.0014599400000000, 0.0039896400000000, -0.0001841500000000 ] - [ 0.0005731100000000, -0.0013170900000000, -0.0004410900000000 ] - [ -0.0004430600000000, -0.0004357600000000, -0.0003650900000000 ] - [ -0.0009580600000000, 0.0013914300000000, -0.0012930800000000 ] - [ -0.0011884300000000, 0.0012639000000000, -0.0011086500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0070672400000000, 0.0474869400000000, -0.2494061800000000 ] - [ -0.0004826700000000, -0.0017630000000000, -0.0167302400000000 ] - [ 0.0039733200000000, 0.0001717200000000, -0.0110740600000000 ] - [ -0.0026899200000000, 0.0005143700000000, -0.0054700400000000 ] - [ -0.0073309100000000, -0.0455171300000000, 0.0414892100000000 ] - [ -0.0001557500000000, -0.0036561100000000, -0.0031900800000000 ] - [ -0.0003370600000000, 0.0081298800000000, 0.0000739900000000 ] - [ -0.0001283100000000, 0.0049890500000000, -0.0037626200000000 ] - [ -0.0010125300000000, 0.0023389800000000, 0.0158614700000000 ] - [ 0.0006666300000000, 0.0001544200000000, 0.0084356900000000 ] - [ -0.0001498300000000, 0.0003046800000000, 0.0042023600000000 ] - [ -0.0002418600000000, 0.0004815900000000, 0.0034704600000000 ] - [ 0.0000433100000000, -0.0045123700000000, 0.0082116400000000 ] - [ -0.0002349000000000, -0.0021720300000000, 0.0040478500000000 ] - [ -0.0015081900000000, 0.0038332600000000, 0.0092808100000000 ] - [ 0.0003453100000000, 0.0015600600000000, 0.0069023100000000 ] - [ -0.0004215800000000, 0.0007932800000000, 0.0089952400000000 ] - [ -0.0000346300000000, -0.0000530300000000, 0.0074935100000000 ] - [ -0.0000966700000000, 0.0001256500000000, 0.0065236300000000 ] - [ -0.0000830800000000, 0.0000753500000000, 0.0058346100000000 ] - [ -0.0065059700000000, -0.0521699700000000, 0.0493693700000000 ] - [ -0.0001033500000000, -0.0041689100000000, -0.0035217000000000 ] - [ -0.0001788800000000, 0.0068207500000000, -0.0007338600000000 ] - [ -0.0010060500000000, 0.0045143600000000, -0.0036769500000000 ] - [ 0.0005419100000000, 0.0002428500000000, 0.0085298500000000 ] - [ -0.0000981500000000, 0.0004963500000000, 0.0088500800000000 ] - [ -0.0003020300000000, 0.0003182300000000, 0.0061166900000000 ] - [ 0.0003788300000000, -0.0001434300000000, 0.0056517000000000 ] - [ -0.0207242500000000, 0.0076629700000000, 0.0149614900000000 ] - [ 0.0346435700000000, 0.0293255500000000, 0.0170300600000000 ] - [ -0.0027858100000000, -0.0038999300000000, -0.0024037300000000 ] - [ 0.0031555500000000, -0.0031784100000000, -0.0021684000000000 ] - [ 0.0339593900000000, 0.0281252000000000, 0.0150343900000000 ] - [ -0.0188491500000000, 0.0065092800000000, 0.0150955400000000 ] - [ 0.0035168300000000, -0.0044810900000000, -0.0019935400000000 ] - [ -0.0035428900000000, -0.0047978900000000, -0.0019861500000000 ] - [ 0.0037478600000000, -0.0014301000000000, 0.0110004900000000 ] - [ -0.0033524600000000, -0.0019904900000000, 0.0108897800000000 ] - [ 0.0007175100000000, 0.0000763700000000, 0.0039011800000000 ] - [ -0.0005822100000000, -0.0002471900000000, 0.0038109000000000 ] - [ -0.0007070500000000, 0.0035247500000000, 0.0064555300000000 ] - [ 0.0011648800000000, 0.0047177000000000, 0.0077952600000000 ] - [ -0.0024501500000000, -0.0012889200000000, 0.0077990100000000 ] - [ 0.0035704300000000, -0.0039063100000000, 0.0064570700000000 ] - [ -0.0141464800000000, -0.0085386700000000, -0.0262406500000000 ] - [ -0.0047902900000000, 0.0122986900000000, -0.0252948200000000 ] - [ -0.0046717200000000, 0.0120655200000000, -0.0262309400000000 ] - [ -0.0133616800000000, -0.0084349800000000, -0.0252943200000000 ] - [ 0.0026275200000000, -0.0038665600000000, 0.0260346100000000 ] - [ 0.0020537400000000, 0.0013439000000000, 0.0077212300000000 ] - [ -0.0002847100000000, -0.0035301200000000, 0.0048023600000000 ] - [ 0.0042189800000000, 0.0017834100000000, 0.0059352300000000 ] - [ -0.0011029000000000, -0.0006747400000000, -0.0052224600000000 ] - [ -0.0005877000000000, -0.0004651100000000, -0.0035790500000000 ] - [ -0.0001882500000000, -0.0004226000000000, -0.0020975900000000 ] - [ -0.0002433800000000, -0.0003465600000000, -0.0018902900000000 ] - [ 0.0012522600000000, -0.0004378300000000, -0.0045656900000000 ] - [ 0.0001363200000000, -0.0009487500000000, -0.0042544400000000 ] - [ 0.0016244800000000, 0.0008170800000000, -0.0031593900000000 ] - [ 0.0006498900000000, 0.0001195500000000, -0.0022595600000000 ] - [ -0.0032096800000000, -0.0095699500000000, 0.0080114400000000 ] - [ 0.0029884600000000, -0.0044301300000000, 0.0020431400000000 ] - [ -0.0088389000000000, 0.0094531200000000, 0.0071787400000000 ] - [ 0.0007660000000000, 0.0015901300000000, 0.0021871400000000 ] - [ -0.0028744100000000, 0.0026273100000000, -0.0098303000000000 ] - [ 0.0006056100000000, 0.0007439500000000, -0.0013546100000000 ] - [ 0.0004774100000000, -0.0014261300000000, -0.0014141800000000 ] - [ 0.0005376200000000, -0.0010195800000000, -0.0009040600000000 ] - [ 0.0045161600000000, 0.0092739500000000, -0.0061520500000000 ] - [ -0.0001044200000000, 0.0015910200000000, -0.0008820100000000 ] - [ -0.0008884000000000, -0.0037781600000000, -0.0037738300000000 ] - [ -0.0063318100000000, -0.0060859100000000, -0.0037129600000000 ] - [ -0.0005928500000000, -0.0036696100000000, -0.0074869200000000 ] - [ 0.0017106800000000, -0.0015888100000000, -0.0048118300000000 ] - [ -0.0004624800000000, 0.0010462200000000, -0.0007485800000000 ] - [ 0.0009473900000000, 0.0010136700000000, -0.0012344300000000 ] - [ 0.0077019800000000, -0.0007849800000000, -0.0095654500000000 ] - [ -0.0050900000000000, 0.0033688900000000, -0.0040812800000000 ] - [ 0.0004266500000000, 0.0000904000000000, -0.0009133900000000 ] - [ -0.0002611100000000, 0.0000866600000000, -0.0005990000000000 ] - [ 0.0135904600000000, -0.0118793700000000, 0.0401730200000000 ] - [ 0.0065002000000000, 0.0021342700000000, 0.0046522100000000 ] - [ 0.0004896800000000, -0.0006527500000000, 0.0030720100000000 ] - [ 0.0021864700000000, 0.0000908100000000, 0.0030401300000000 ] - [ -0.0010331500000000, 0.0004318300000000, -0.0043469300000000 ] - [ -0.0020224000000000, 0.0010719600000000, -0.0036024500000000 ] - [ -0.0002144500000000, -0.0011707500000000, -0.0031554000000000 ] - [ -0.0004774100000000, -0.0007752600000000, -0.0027980500000000 ] - [ -0.0091894500000000, 0.0061710300000000, 0.0237866300000000 ] - [ -0.0046288100000000, -0.0038402700000000, 0.0122743300000000 ] - [ -0.0011884200000000, 0.0034354900000000, 0.0038194100000000 ] - [ 0.0001053200000000, -0.0025919500000000, 0.0059156200000000 ] - [ 0.0005233200000000, -0.0007539800000000, -0.0031680900000000 ] - [ 0.0004987500000000, -0.0006529300000000, -0.0029126800000000 ] - [ 0.0002210300000000, -0.0000734200000000, -0.0031886200000000 ] - [ 0.0007122000000000, -0.0003353300000000, -0.0031607900000000 ] - [ -0.0084117300000000, 0.0093718000000000, 0.0061397300000000 ] - [ 0.0017297500000000, 0.0015378700000000, 0.0014083000000000 ] - [ -0.0022320900000000, -0.0090780700000000, 0.0074447600000000 ] - [ 0.0037102600000000, -0.0050044500000000, 0.0018066800000000 ] - [ 0.0028164600000000, 0.0012302500000000, -0.0057430500000000 ] - [ 0.0011535600000000, 0.0004788600000000, -0.0045362400000000 ] - [ 0.0008929700000000, -0.0005000200000000, -0.0033222300000000 ] - [ 0.0005707800000000, -0.0010269400000000, -0.0035735400000000 ] - [ 0.0039481700000000, -0.0016437600000000, -0.0099230800000000 ] - [ -0.0065504500000000, 0.0033241800000000, -0.0046282300000000 ] - [ -0.0003731100000000, -0.0001597100000000, -0.0008130300000000 ] - [ -0.0006809700000000, -0.0003837600000000, -0.0004696500000000 ] - [ -0.0031110700000000, 0.0032069900000000, -0.0086714200000000 ] - [ 0.0011565500000000, 0.0015812800000000, -0.0010886700000000 ] - [ -0.0009082200000000, -0.0013731000000000, -0.0014195100000000 ] - [ -0.0005750900000000, -0.0010475100000000, -0.0009993700000000 ] - [ 0.0014127700000000, -0.0002070500000000, -0.0045213000000000 ] - [ 0.0017285900000000, -0.0003598900000000, -0.0045514800000000 ] - [ 0.0008478600000000, -0.0000791700000000, -0.0022850800000000 ] - [ 0.0010497500000000, -0.0001070800000000, -0.0023601600000000 ] - [ -0.0078187400000000, 0.0062072300000000, 0.0231100500000000 ] - [ -0.0036570200000000, -0.0043067600000000, 0.0120917500000000 ] - [ -0.0004502700000000, 0.0032221200000000, 0.0034278000000000 ] - [ 0.0011539600000000, -0.0029239800000000, 0.0054412200000000 ] - [ -0.0012936100000000, 0.0000437000000000, -0.0038549200000000 ] - [ -0.0009354800000000, 0.0000654100000000, -0.0025208100000000 ] - [ -0.0013392300000000, -0.0005503900000000, -0.0039650900000000 ] - [ -0.0012934600000000, -0.0003716300000000, -0.0032510900000000 ] - [ -0.0001654400000000, -0.0046210400000000, 0.0238760100000000 ] - [ 0.0009725300000000, 0.0015964500000000, 0.0077474900000000 ] - [ -0.0009095300000000, -0.0039550800000000, 0.0043437800000000 ] - [ 0.0035998600000000, 0.0015044500000000, 0.0056119100000000 ] - [ 0.0006446500000000, -0.0024274000000000, -0.0088046900000000 ] - [ 0.0029476600000000, -0.0005094500000000, -0.0047474400000000 ] - [ -0.0008331700000000, 0.0013289400000000, -0.0006042300000000 ] - [ 0.0007238200000000, 0.0005530900000000, -0.0011962400000000 ] - [ 0.0008354000000000, -0.0034959500000000, -0.0035048700000000 ] - [ -0.0037654700000000, -0.0074331200000000, -0.0031393500000000 ] - [ 0.0079793200000000, 0.0071481200000000, -0.0063212000000000 ] - [ 0.0001016100000000, 0.0015061400000000, -0.0005647900000000 ] - [ 0.0109854300000000, -0.0067573700000000, 0.0366861400000000 ] - [ 0.0056074400000000, 0.0017201500000000, 0.0037503700000000 ] - [ -0.0002168800000000, -0.0008857900000000, 0.0025815000000000 ] - [ 0.0014897300000000, -0.0001314900000000, 0.0023858300000000 ] - [ -0.0004562800000000, -0.0014790500000000, -0.0050964700000000 ] - [ -0.0014812000000000, -0.0002493000000000, -0.0043975700000000 ] - [ -0.0014761400000000, 0.0007682100000000, -0.0038172800000000 ] - [ -0.0018038600000000, 0.0008520800000000, -0.0033750200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0068940300000000, -0.0468195700000000, 0.2496383400000000 ] - [ 0.0007370500000000, 0.0023368500000000, 0.0165654100000000 ] - [ -0.0037174000000000, 0.0003975500000000, 0.0109074600000000 ] - [ 0.0029465300000000, 0.0000544300000000, 0.0053020700000000 ] - [ 0.0073014900000000, 0.0461940700000000, -0.0411201700000000 ] - [ 0.0001556400000000, 0.0048672600000000, 0.0031661800000000 ] - [ 0.0003064500000000, -0.0068970000000000, -0.0000900700000000 ] - [ 0.0001317200000000, -0.0037780100000000, 0.0037411400000000 ] - [ 0.0007789500000000, -0.0017607500000000, -0.0156406300000000 ] - [ -0.0009225800000000, 0.0004170600000000, -0.0082779600000000 ] - [ -0.0001051900000000, 0.0002636500000000, -0.0040404900000000 ] - [ -0.0000134500000000, 0.0000863600000000, -0.0033112900000000 ] - [ -0.0000507900000000, 0.0033084800000000, -0.0082168800000000 ] - [ 0.0002359200000000, 0.0009647300000000, -0.0040408100000000 ] - [ 0.0015127500000000, -0.0050601200000000, -0.0092901800000000 ] - [ -0.0003513300000000, -0.0027736000000000, -0.0068974700000000 ] - [ 0.0006761300000000, -0.0013581500000000, -0.0091635000000000 ] - [ 0.0002926800000000, -0.0005130200000000, -0.0076643200000000 ] - [ 0.0003532700000000, -0.0006998100000000, -0.0066909300000000 ] - [ 0.0003377500000000, -0.0006487800000000, -0.0060028900000000 ] - [ 0.0062742400000000, 0.0522211200000000, -0.0497330000000000 ] - [ -0.0001541500000000, 0.0035980600000000, 0.0037173700000000 ] - [ -0.0000537000000000, -0.0074171000000000, 0.0009189200000000 ] - [ 0.0007452200000000, -0.0050878600000000, 0.0038683600000000 ] - [ -0.0007923200000000, -0.0008198200000000, -0.0087000500000000 ] - [ -0.0001635800000000, -0.0010667900000000, -0.0090142500000000 ] - [ 0.0000486100000000, -0.0008867300000000, -0.0062864100000000 ] - [ -0.0006376200000000, -0.0004248400000000, -0.0058216900000000 ] - [ 0.0206182600000000, -0.0063681700000000, -0.0150188000000000 ] - [ -0.0344721800000000, -0.0280406900000000, -0.0169743800000000 ] - [ 0.0027764900000000, 0.0051020200000000, 0.0023741500000000 ] - [ -0.0031440300000000, 0.0043863000000000, 0.0021526100000000 ] - [ -0.0338668000000000, -0.0287821300000000, -0.0149309300000000 ] - [ 0.0191906400000000, -0.0071541400000000, -0.0148682700000000 ] - [ -0.0032770200000000, 0.0039174700000000, 0.0021794300000000 ] - [ 0.0038134600000000, 0.0042330200000000, 0.0021872200000000 ] - [ -0.0037600100000000, 0.0002263400000000, -0.0109999000000000 ] - [ 0.0033777100000000, 0.0007784300000000, -0.0109119000000000 ] - [ -0.0007208100000000, -0.0012892800000000, -0.0038965700000000 ] - [ 0.0005869700000000, -0.0009623700000000, -0.0038043300000000 ] - [ 0.0009537300000000, -0.0029490800000000, -0.0062958100000000 ] - [ -0.0009000800000000, -0.0041385500000000, -0.0076306700000000 ] - [ 0.0026903000000000, 0.0018496900000000, -0.0076270000000000 ] - [ -0.0033039500000000, 0.0044669600000000, -0.0062945600000000 ] - [ 0.0138277400000000, 0.0090385400000000, 0.0260291700000000 ] - [ 0.0045961000000000, -0.0118199800000000, 0.0251678900000000 ] - [ 0.0043594800000000, -0.0114156700000000, 0.0260384100000000 ] - [ 0.0131673800000000, 0.0090642700000000, 0.0251688500000000 ] - [ -0.0016136700000000, 0.0047202500000000, -0.0251299600000000 ] - [ -0.0012558300000000, -0.0008740900000000, -0.0066802600000000 ] - [ 0.0010856000000000, 0.0039896400000000, -0.0037548800000000 ] - [ -0.0034200900000000, -0.0013199400000000, -0.0048895300000000 ] - [ 0.0019116600000000, 0.0002006200000000, 0.0062742700000000 ] - [ 0.0014038300000000, -0.0000099100000000, 0.0046442100000000 ] - [ 0.0010017600000000, -0.0000498600000000, 0.0031616200000000 ] - [ 0.0010582800000000, -0.0001261200000000, 0.0029542000000000 ] - [ -0.0014913700000000, 0.0005196600000000, 0.0048086000000000 ] - [ -0.0003683000000000, 0.0010283400000000, 0.0044936700000000 ] - [ -0.0018652400000000, -0.0007426300000000, 0.0034005500000000 ] - [ -0.0008865100000000, -0.0000413500000000, 0.0024985100000000 ] - [ 0.0029498200000000, 0.0094232600000000, -0.0077602900000000 ] - [ -0.0032314400000000, 0.0043506600000000, -0.0017831200000000 ] - [ 0.0085909800000000, -0.0095128500000000, -0.0069135000000000 ] - [ -0.0010068100000000, -0.0016708900000000, -0.0019318800000000 ] - [ 0.0034996900000000, -0.0028232000000000, 0.0094922500000000 ] - [ 0.0000339600000000, -0.0009592000000000, 0.0010265600000000 ] - [ 0.0001551000000000, 0.0012084700000000, 0.0010809400000000 ] - [ 0.0000969100000000, 0.0008043900000000, 0.0005755900000000 ] - [ -0.0039031200000000, -0.0090996000000000, 0.0058372900000000 ] - [ 0.0007366800000000, -0.0013745100000000, 0.0005379000000000 ] - [ 0.0015051900000000, 0.0040006700000000, 0.0034253900000000 ] - [ 0.0069738600000000, 0.0063175700000000, 0.0033705500000000 ] - [ -0.0000601800000000, 0.0034412300000000, 0.0071455800000000 ] - [ -0.0023424000000000, 0.0013711700000000, 0.0044914100000000 ] - [ -0.0001719200000000, -0.0012590800000000, 0.0004184900000000 ] - [ -0.0015755500000000, -0.0012245300000000, 0.0009045200000000 ] - [ -0.0083780800000000, 0.0009993600000000, 0.0092585100000000 ] - [ 0.0044588200000000, -0.0031558000000000, 0.0037360400000000 ] - [ -0.0010605800000000, 0.0001278600000000, 0.0005711300000000 ] - [ -0.0003652200000000, 0.0001286300000000, 0.0002555700000000 ] - [ -0.0110910700000000, 0.0112189500000000, -0.0364070800000000 ] - [ -0.0062690000000000, -0.0022196200000000, -0.0043991600000000 ] - [ -0.0002501700000000, 0.0005693000000000, -0.0028229500000000 ] - [ -0.0019439300000000, -0.0001662100000000, -0.0027919800000000 ] - [ 0.0012712700000000, -0.0003568800000000, 0.0045900200000000 ] - [ 0.0022621600000000, -0.0009973100000000, 0.0038423100000000 ] - [ 0.0004492700000000, 0.0012520100000000, 0.0033951500000000 ] - [ 0.0007152800000000, 0.0008549900000000, 0.0030369200000000 ] - [ 0.0087901700000000, -0.0060282300000000, -0.0228162200000000 ] - [ 0.0038325900000000, 0.0043325900000000, -0.0112480000000000 ] - [ 0.0003726900000000, -0.0029447900000000, -0.0027692600000000 ] - [ -0.0009272100000000, 0.0030863300000000, -0.0048739300000000 ] - [ -0.0013395200000000, 0.0002776300000000, 0.0042319500000000 ] - [ -0.0013126900000000, 0.0001783300000000, 0.0039774100000000 ] - [ -0.0010362900000000, -0.0003972800000000, 0.0042512900000000 ] - [ -0.0015227400000000, -0.0001357400000000, 0.0042212400000000 ] - [ 0.0092439400000000, -0.0098751000000000, -0.0072324200000000 ] - [ -0.0009106600000000, -0.0020072300000000, -0.0024890000000000 ] - [ 0.0030687000000000, 0.0086580700000000, -0.0085209000000000 ] - [ -0.0028889200000000, 0.0045295600000000, -0.0028899700000000 ] - [ -0.0019954000000000, -0.0007492400000000, 0.0046701400000000 ] - [ -0.0003424700000000, -0.0000049000000000, 0.0034781900000000 ] - [ -0.0000788100000000, 0.0009734300000000, 0.0022623600000000 ] - [ 0.0002400000000000, 0.0014978800000000, 0.0025130900000000 ] - [ -0.0041571100000000, 0.0015652200000000, 0.0096213000000000 ] - [ 0.0063131500000000, -0.0033957900000000, 0.0043978100000000 ] - [ 0.0001394900000000, 0.0000806600000000, 0.0005787900000000 ] - [ 0.0004428600000000, 0.0003073900000000, 0.0002359700000000 ] - [ 0.0028680800000000, -0.0031381300000000, 0.0084259000000000 ] - [ -0.0014055100000000, -0.0015073300000000, 0.0008386100000000 ] - [ 0.0006698000000000, 0.0014559200000000, 0.0011764000000000 ] - [ 0.0003343600000000, 0.0011267900000000, 0.0007510700000000 ] - [ -0.0007800400000000, 0.0004219300000000, 0.0048573500000000 ] - [ -0.0011034800000000, 0.0005769100000000, 0.0048943700000000 ] - [ -0.0002159000000000, 0.0002959200000000, 0.0026200700000000 ] - [ -0.0004193600000000, 0.0003228500000000, 0.0026952200000000 ] - [ 0.0080214800000000, -0.0060648100000000, -0.0226902700000000 ] - [ 0.0042759300000000, 0.0040727500000000, -0.0117249300000000 ] - [ 0.0010819100000000, -0.0034532500000000, -0.0030811700000000 ] - [ -0.0005163700000000, 0.0026932800000000, -0.0050895400000000 ] - [ 0.0006660200000000, 0.0001696200000000, 0.0041931000000000 ] - [ 0.0003039200000000, 0.0001486000000000, 0.0028555100000000 ] - [ 0.0007078900000000, 0.0007683300000000, 0.0043012700000000 ] - [ 0.0006610000000000, 0.0005894200000000, 0.0035856600000000 ] - [ -0.0006415000000000, 0.0040434000000000, -0.0233963100000000 ] - [ -0.0015886700000000, -0.0018090200000000, -0.0073944300000000 ] - [ 0.0002919200000000, 0.0037574200000000, -0.0039942500000000 ] - [ -0.0042145700000000, -0.0017077500000000, -0.0052593800000000 ] - [ -0.0003922400000000, 0.0025068800000000, 0.0085781000000000 ] - [ -0.0027122300000000, 0.0005958600000000, 0.0044950100000000 ] - [ 0.0010767700000000, -0.0012534700000000, 0.0003573400000000 ] - [ -0.0004866400000000, -0.0004753700000000, 0.0009500300000000 ] - [ -0.0005913500000000, 0.0034161400000000, 0.0032781300000000 ] - [ 0.0039977300000000, 0.0073490600000000, 0.0029121900000000 ] - [ -0.0077201300000000, -0.0071958000000000, 0.0060633900000000 ] - [ 0.0001301800000000, -0.0015836700000000, 0.0003328200000000 ] - [ -0.0139690700000000, 0.0066584100000000, -0.0414619400000000 ] - [ -0.0064175900000000, -0.0021882100000000, -0.0048263800000000 ] - [ -0.0005993200000000, 0.0004175300000000, -0.0036542700000000 ] - [ -0.0023085800000000, -0.0003430800000000, -0.0034570300000000 ] - [ -0.0003523700000000, 0.0019440600000000, 0.0040327200000000 ] - [ 0.0006652400000000, 0.0007223200000000, 0.0033372700000000 ] - [ 0.0006611900000000, -0.0002908000000000, 0.0027540400000000 ] - [ 0.0009884500000000, -0.0003756200000000, 0.0023144200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0329218500000000, -0.0111783500000000, -0.0073296800000000 ] - [ 0.0096951700000000, 0.0001966800000000, -0.0002595600000000 ] - [ -0.0099335700000000, -0.0003042300000000, -0.0004075200000000 ] - [ 0.0075712800000000, -0.0010502300000000, -0.0002220600000000 ] - [ -0.2156041200000000, 0.0022096800000000, 0.0208752600000000 ] - [ 0.0246303600000000, 0.0006144900000000, -0.0008771200000000 ] - [ -0.0088012200000000, 0.0006006900000000, 0.0041294200000000 ] - [ 0.0068136400000000, 0.0005990300000000, -0.0028615400000000 ] - [ -0.0331698300000000, 0.0116418300000000, -0.0073019900000000 ] - [ 0.0094459400000000, 0.0004061500000000, -0.0000518900000000 ] - [ -0.0102068800000000, 0.0008821400000000, -0.0002355500000000 ] - [ 0.0073188200000000, 0.0016080300000000, -0.0000381500000000 ] - [ -0.0003611900000000, -0.0006063700000000, -0.0000907200000000 ] - [ 0.0004029000000000, -0.0006051900000000, -0.0002046200000000 ] - [ -0.0011741800000000, -0.0006056600000000, -0.0005431100000000 ] - [ 0.0013274300000000, -0.0006051100000000, -0.0003418500000000 ] - [ -0.0008545100000000, -0.0007690700000000, -0.0000435400000000 ] - [ 0.0012240500000000, -0.0002309400000000, -0.0003167100000000 ] - [ -0.0043883000000000, -0.0018564300000000, -0.0015981000000000 ] - [ 0.0040061000000000, 0.0013731300000000, 0.0002673500000000 ] - [ -0.0011084900000000, 0.0001913200000000, 0.0001374600000000 ] - [ 0.0009675400000000, -0.0003358800000000, -0.0001540400000000 ] - [ -0.0046440000000000, 0.0012906200000000, -0.0014227700000000 ] - [ 0.0037503300000000, -0.0019449800000000, 0.0004292400000000 ] - [ -0.0000386500000000, 0.0017086000000000, 0.0032829500000000 ] - [ 0.0000790800000000, -0.0024728200000000, -0.0038378800000000 ] - [ -0.0001482500000000, -0.0003577000000000, 0.0005016600000000 ] - [ -0.0000060900000000, -0.0000099600000000, -0.0008019900000000 ] - [ 0.0166855400000000, -0.0214226500000000, 0.0081567500000000 ] - [ 0.0166523100000000, 0.0227355100000000, 0.0081372700000000 ] - [ 0.0166769100000000, 0.0281483100000000, 0.0099996000000000 ] - [ 0.0166610600000000, -0.0270539800000000, 0.0099684900000000 ] - [ 0.0002345400000000, -0.0022739500000000, 0.0034468900000000 ] - [ 0.0003242800000000, 0.0019025400000000, -0.0036697500000000 ] - [ 0.0001107800000000, -0.0002142300000000, 0.0006673700000000 ] - [ 0.0002461200000000, -0.0005620000000000, -0.0006364000000000 ] - [ -0.0000474900000000, -0.0010607800000000, -0.0003238800000000 ] - [ -0.0000511400000000, -0.0001488400000000, -0.0003237200000000 ] - [ -0.0000078400000000, -0.0004837000000000, -0.0003376000000000 ] - [ -0.0000107000000000, -0.0007265100000000, -0.0003372000000000 ] - [ 0.0002636700000000, -0.0017216800000000, -0.0030630600000000 ] - [ 0.0006569500000000, 0.0019289500000000, 0.0028639400000000 ] - [ 0.0173551600000000, -0.0000940400000000, -0.0344230700000000 ] - [ 0.0169170000000000, -0.0122263400000000, 0.0208225700000000 ] - [ -0.0000072900000000, 0.0022823900000000, -0.0032363300000000 ] - [ 0.0004113600000000, -0.0013648200000000, 0.0026982800000000 ] - [ 0.0170747000000000, 0.0006121200000000, -0.0346917900000000 ] - [ 0.0166911100000000, 0.0127960400000000, 0.0205200100000000 ] - [ 0.0028698000000000, 0.0019783900000000, 0.0004979200000000 ] - [ -0.0009399100000000, -0.0002729700000000, 0.0003360100000000 ] - [ 0.0051498200000000, 0.0040343100000000, 0.0067295600000000 ] - [ -0.0044754700000000, -0.0031660200000000, -0.0024933600000000 ] - [ 0.0029733800000000, -0.0009537600000000, 0.0023668600000000 ] - [ -0.0010020600000000, 0.0003275900000000, 0.0002917100000000 ] - [ 0.0016112700000000, -0.0002263200000000, 0.0004018000000000 ] - [ -0.0006786900000000, -0.0003176800000000, 0.0004241300000000 ] - [ 0.0003537700000000, -0.0000220100000000, -0.0003528700000000 ] - [ -0.0007531700000000, 0.0001401200000000, 0.0011813600000000 ] - [ -0.0000135300000000, 0.0000941200000000, 0.0000515200000000 ] - [ -0.0002784400000000, -0.0000148500000000, 0.0003446200000000 ] - [ 0.0017852000000000, -0.0048354300000000, 0.0002330900000000 ] - [ -0.0029559500000000, 0.0037735600000000, -0.0011987400000000 ] - [ 0.0444286100000000, -0.0359792300000000, -0.0226987400000000 ] - [ -0.0100443600000000, 0.0007182200000000, -0.0011502300000000 ] - [ 0.0292976200000000, -0.0008077600000000, 0.0152134600000000 ] - [ -0.0090062900000000, 0.0034362600000000, -0.0000076900000000 ] - [ 0.0021542000000000, -0.0004713500000000, -0.0003494500000000 ] - [ -0.0015870400000000, 0.0004393100000000, -0.0002664200000000 ] - [ 0.0005570700000000, 0.0002400000000000, -0.0000784100000000 ] - [ 0.0001137600000000, -0.0000123900000000, -0.0001750200000000 ] - [ 0.0013098200000000, 0.0004052300000000, 0.0007111100000000 ] - [ -0.0006575000000000, -0.0002521800000000, -0.0005960300000000 ] - [ 0.0029006800000000, -0.0031449700000000, -0.0037842600000000 ] - [ -0.0041098800000000, 0.0012796800000000, 0.0029711600000000 ] - [ 0.0035747200000000, 0.0069296300000000, -0.0058558600000000 ] - [ -0.0078430800000000, -0.0053588200000000, 0.0032292500000000 ] - [ 0.0001309500000000, -0.0006321500000000, 0.0002954000000000 ] - [ -0.0007336700000000, 0.0006704400000000, -0.0003087600000000 ] - [ -0.0001006900000000, 0.0001345300000000, 0.0002460700000000 ] - [ -0.0007395500000000, 0.0002794900000000, -0.0001511700000000 ] - [ 0.0173232500000000, -0.0032855400000000, 0.0038533000000000 ] - [ -0.0080028300000000, -0.0011018100000000, -0.0030019100000000 ] - [ 0.0051233700000000, 0.0068727000000000, 0.0016275600000000 ] - [ -0.0069875900000000, -0.0050072600000000, -0.0035607300000000 ] - [ 0.0004339500000000, -0.0000359600000000, 0.0003932300000000 ] - [ -0.0001138900000000, 0.0001715800000000, 0.0001015400000000 ] - [ 0.0007046200000000, 0.0001754800000000, 0.0004665800000000 ] - [ -0.0002598100000000, -0.0001077300000000, 0.0003336800000000 ] - [ 0.0035036500000000, -0.0024442900000000, 0.0050037500000000 ] - [ -0.0043156100000000, 0.0028898300000000, -0.0021358400000000 ] - [ 0.0003936900000000, -0.0001822000000000, 0.0009760600000000 ] - [ -0.0013354200000000, 0.0009548000000000, 0.0000728100000000 ] - [ -0.0000549400000000, -0.0002537700000000, -0.0001134200000000 ] - [ -0.0007353100000000, -0.0002007000000000, 0.0011780000000000 ] - [ 0.0012433500000000, 0.0008376600000000, -0.0049242100000000 ] - [ -0.0043018000000000, 0.0001277100000000, 0.0075429600000000 ] - [ 0.0007550200000000, -0.0002166200000000, -0.0011751200000000 ] - [ 0.0000809500000000, -0.0002729900000000, 0.0001151800000000 ] - [ 0.0020481800000000, -0.0013179500000000, -0.0059892600000000 ] - [ -0.0034888300000000, -0.0006042000000000, 0.0064883800000000 ] - [ 0.0042942800000000, 0.0029080000000000, 0.0039463400000000 ] - [ -0.0034962200000000, -0.0024169200000000, -0.0032183200000000 ] - [ 0.0012085300000000, 0.0006584700000000, -0.0000889400000000 ] - [ -0.0005180500000000, -0.0004768600000000, -0.0009925400000000 ] - [ 0.0166391100000000, 0.0037653800000000, 0.0039101300000000 ] - [ -0.0082493000000000, 0.0009842000000000, -0.0032617900000000 ] - [ 0.0048791200000000, -0.0069516700000000, 0.0013754200000000 ] - [ -0.0072299300000000, 0.0049415800000000, -0.0038068700000000 ] - [ 0.0001943300000000, 0.0001142400000000, 0.0001494600000000 ] - [ -0.0003502000000000, -0.0000937600000000, -0.0001377400000000 ] - [ 0.0004659300000000, -0.0000975200000000, 0.0002229400000000 ] - [ -0.0004965800000000, 0.0001864800000000, 0.0000940600000000 ] - [ 0.0007585000000000, 0.0008455100000000, 0.0006335600000000 ] - [ -0.0001007200000000, -0.0004549800000000, 0.0000262700000000 ] - [ 0.0005287900000000, 0.0000800500000000, 0.0005837600000000 ] - [ -0.0001075900000000, -0.0000627700000000, 0.0001837300000000 ] - [ 0.0035108900000000, 0.0029425800000000, -0.0034488000000000 ] - [ -0.0034599400000000, -0.0015057900000000, 0.0033052300000000 ] - [ 0.0041892200000000, -0.0071183300000000, -0.0054922900000000 ] - [ -0.0071997900000000, 0.0051554800000000, 0.0035828200000000 ] - [ -0.0000752300000000, -0.0000215200000000, 0.0002593100000000 ] - [ -0.0005161800000000, 0.0002269800000000, 0.0001602700000000 ] - [ 0.0006776500000000, -0.0001887100000000, 0.0010478100000000 ] - [ -0.0012861600000000, 0.0004674900000000, -0.0002614400000000 ] - [ 0.0282851200000000, 0.0006643900000000, 0.0145193800000000 ] - [ -0.0096392100000000, -0.0036567800000000, 0.0003679500000000 ] - [ 0.0015220900000000, 0.0002591900000000, -0.0000136300000000 ] - [ -0.0022146300000000, -0.0006501900000000, 0.0000716200000000 ] - [ 0.0005894200000000, 0.0000993800000000, -0.0005922600000000 ] - [ -0.0005144700000000, -0.0000625000000000, 0.0009410500000000 ] - [ 0.0002227300000000, -0.0000153600000000, -0.0001878700000000 ] - [ -0.0000409000000000, 0.0000928600000000, 0.0001043900000000 ] - [ 0.0020202800000000, 0.0047604900000000, -0.0000106100000000 ] - [ -0.0027104600000000, -0.0038470000000000, -0.0014396100000000 ] - [ 0.0430268000000000, 0.0337622000000000, -0.0214209800000000 ] - [ -0.0098142300000000, -0.0007512100000000, -0.0014202100000000 ] - [ 0.0021510100000000, 0.0004840500000000, 0.0012870000000000 ] - [ -0.0018097400000000, -0.0008034200000000, -0.0007603400000000 ] - [ 0.0007958300000000, -0.0002480900000000, -0.0006575200000000 ] - [ -0.0014908900000000, -0.0001544100000000, -0.0006341900000000 ] - [ 0.0020444300000000, -0.0014837400000000, -0.0005485800000000 ] - [ -0.0017490800000000, 0.0007374100000000, -0.0007312700000000 ] - [ 0.0043361900000000, -0.0035646300000000, 0.0056832600000000 ] - [ -0.0052846500000000, 0.0036361600000000, -0.0035618900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0087535000000000, 0.0061477600000000, -0.0461500500000000 ] - [ 0.0001582800000000, -0.0049259700000000, -0.0043566000000000 ] - [ -0.0006610500000000, 0.0122145800000000, 0.0074057000000000 ] - [ -0.0013575200000000, 0.0055683100000000, 0.0043052200000000 ] - [ 0.0000000000000000, -0.2177510400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0128043100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0161698700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0114796100000000, 0.0000000000000000 ] - [ 0.0087535000000000, 0.0061477600000000, 0.0461500500000000 ] - [ -0.0001582800000000, -0.0049259700000000, 0.0043566000000000 ] - [ 0.0006610500000000, 0.0122145800000000, -0.0074057000000000 ] - [ 0.0013575200000000, 0.0055683100000000, -0.0043052200000000 ] - [ 0.0000000000000000, 0.0011424500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006830000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024900800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020351500000000, 0.0000000000000000 ] - [ -0.0001675400000000, 0.0021632700000000, 0.0038347100000000 ] - [ 0.0001943600000000, 0.0004781800000000, 0.0014894800000000 ] - [ -0.0014401000000000, -0.0021011500000000, -0.0045387900000000 ] - [ 0.0017063100000000, 0.0000699800000000, -0.0022593400000000 ] - [ 0.0001675400000000, 0.0021632700000000, -0.0038347100000000 ] - [ -0.0001943600000000, 0.0004781800000000, -0.0014894800000000 ] - [ 0.0014401000000000, -0.0021011500000000, 0.0045387900000000 ] - [ -0.0017063100000000, 0.0000699800000000, 0.0022593400000000 ] - [ 0.0017398300000000, -0.0039791700000000, 0.0012989800000000 ] - [ -0.0017833500000000, -0.0043016300000000, 0.0007396200000000 ] - [ -0.0006154800000000, 0.0027692300000000, -0.0004361500000000 ] - [ -0.0001198400000000, 0.0026859300000000, -0.0007629900000000 ] - [ -0.0277324600000000, 0.0244120800000000, -0.0099236500000000 ] - [ 0.0277324600000000, 0.0244120800000000, 0.0099236500000000 ] - [ 0.0220446900000000, 0.0243724200000000, 0.0089826200000000 ] - [ -0.0220446900000000, 0.0243724200000000, -0.0089826200000000 ] - [ -0.0017398300000000, -0.0039791700000000, -0.0012989800000000 ] - [ 0.0017833500000000, -0.0043016300000000, -0.0007396200000000 ] - [ 0.0006154800000000, 0.0027692300000000, 0.0004361500000000 ] - [ 0.0001198400000000, 0.0026859300000000, 0.0007629900000000 ] - [ -0.0004571100000000, -0.0010828400000000, -0.0002048900000000 ] - [ 0.0004571100000000, -0.0010828400000000, 0.0002048900000000 ] - [ 0.0001209700000000, 0.0000216600000000, -0.0002314400000000 ] - [ -0.0001209700000000, 0.0000216600000000, 0.0002314400000000 ] - [ -0.0014034400000000, 0.0087709000000000, 0.0038859800000000 ] - [ 0.0016272400000000, 0.0089634900000000, 0.0046041200000000 ] - [ 0.0145862900000000, -0.0143387100000000, -0.0286860500000000 ] - [ -0.0002439000000000, -0.0135960600000000, -0.0069559400000000 ] - [ 0.0014034400000000, 0.0087709000000000, -0.0038859800000000 ] - [ -0.0016272400000000, 0.0089634900000000, -0.0046041200000000 ] - [ -0.0145862900000000, -0.0143387100000000, 0.0286860500000000 ] - [ 0.0002439000000000, -0.0135960600000000, 0.0069559400000000 ] - [ -0.0007191300000000, -0.0030149600000000, 0.0041540100000000 ] - [ 0.0010747600000000, 0.0001216500000000, 0.0018606200000000 ] - [ -0.0014072100000000, -0.0016737800000000, -0.0062585200000000 ] - [ 0.0011230600000000, 0.0014755300000000, -0.0005386800000000 ] - [ -0.0026523400000000, -0.0001283300000000, -0.0064927800000000 ] - [ 0.0000235300000000, 0.0005721900000000, -0.0009374000000000 ] - [ 0.0015964700000000, -0.0014721400000000, 0.0031390600000000 ] - [ 0.0007007100000000, -0.0011195200000000, 0.0019002200000000 ] - [ 0.0001985700000000, 0.0008745400000000, -0.0004783200000000 ] - [ 0.0003069900000000, 0.0008186700000000, -0.0000271800000000 ] - [ -0.0004793100000000, -0.0007800400000000, 0.0003611800000000 ] - [ -0.0004279200000000, -0.0006252400000000, 0.0003074500000000 ] - [ 0.0013695900000000, -0.0086065500000000, 0.0011708200000000 ] - [ 0.0039370800000000, -0.0074573000000000, 0.0021142000000000 ] - [ -0.0239475500000000, 0.0416732400000000, 0.0146951300000000 ] - [ -0.0050524000000000, 0.0048876500000000, -0.0038950300000000 ] - [ 0.0009162800000000, 0.0223022000000000, 0.0110482900000000 ] - [ -0.0028340000000000, 0.0070978200000000, -0.0005175300000000 ] - [ 0.0020107900000000, -0.0053105100000000, -0.0004591600000000 ] - [ 0.0016480300000000, -0.0040292900000000, -0.0002048200000000 ] - [ -0.0003379000000000, -0.0012577000000000, 0.0001584500000000 ] - [ -0.0000514900000000, -0.0007485400000000, -0.0000679800000000 ] - [ 0.0005967500000000, 0.0014204000000000, -0.0003979200000000 ] - [ 0.0012559300000000, 0.0012845500000000, -0.0001865300000000 ] - [ -0.0043407500000000, -0.0057995100000000, -0.0061994600000000 ] - [ 0.0036825300000000, -0.0024363300000000, -0.0052174100000000 ] - [ 0.0038531100000000, -0.0032737600000000, 0.0088497400000000 ] - [ -0.0064616400000000, -0.0040599100000000, 0.0040893700000000 ] - [ -0.0011414100000000, 0.0009849400000000, 0.0002956800000000 ] - [ -0.0002117400000000, 0.0004338700000000, 0.0001537900000000 ] - [ 0.0001815200000000, -0.0007030200000000, -0.0009030900000000 ] - [ 0.0001132200000000, -0.0005840400000000, -0.0004034800000000 ] - [ 0.0069291900000000, 0.0221746400000000, -0.0083331100000000 ] - [ 0.0063038500000000, 0.0051247700000000, 0.0031274300000000 ] - [ -0.0020119100000000, -0.0088455300000000, -0.0008585900000000 ] - [ -0.0054803900000000, -0.0062427300000000, -0.0027271200000000 ] - [ -0.0002533300000000, -0.0003909300000000, -0.0008830800000000 ] - [ 0.0001502800000000, -0.0002972100000000, -0.0002539700000000 ] - [ 0.0005126200000000, 0.0004759500000000, 0.0011083700000000 ] - [ 0.0001408500000000, 0.0002205900000000, 0.0008471900000000 ] - [ -0.0057787700000000, 0.0089962900000000, 0.0039564200000000 ] - [ -0.0012792300000000, 0.0031459600000000, 0.0007224400000000 ] - [ 0.0016955300000000, -0.0036858100000000, -0.0001982600000000 ] - [ 0.0014437700000000, -0.0032192700000000, 0.0005353100000000 ] - [ -0.0008549700000000, -0.0021485800000000, -0.0006553400000000 ] - [ -0.0002865500000000, -0.0016389300000000, -0.0007192900000000 ] - [ 0.0000822400000000, 0.0019461500000000, 0.0010779300000000 ] - [ -0.0028076300000000, 0.0020083800000000, 0.0070796600000000 ] - [ 0.0008549700000000, -0.0021485800000000, 0.0006553400000000 ] - [ 0.0002865500000000, -0.0016389300000000, 0.0007192900000000 ] - [ -0.0000822400000000, 0.0019461500000000, -0.0010779300000000 ] - [ 0.0028076300000000, 0.0020083800000000, -0.0070796600000000 ] - [ 0.0057787700000000, 0.0089962900000000, -0.0039564200000000 ] - [ 0.0012792300000000, 0.0031459600000000, -0.0007224400000000 ] - [ -0.0016955300000000, -0.0036858100000000, 0.0001982600000000 ] - [ -0.0014437700000000, -0.0032192700000000, -0.0005353100000000 ] - [ -0.0069291900000000, 0.0221746400000000, 0.0083331100000000 ] - [ -0.0063038500000000, 0.0051247700000000, -0.0031274300000000 ] - [ 0.0020119100000000, -0.0088455300000000, 0.0008585900000000 ] - [ 0.0054803900000000, -0.0062427300000000, 0.0027271200000000 ] - [ 0.0002533300000000, -0.0003909300000000, 0.0008830800000000 ] - [ -0.0001502800000000, -0.0002972100000000, 0.0002539700000000 ] - [ -0.0005126200000000, 0.0004759500000000, -0.0011083700000000 ] - [ -0.0001408500000000, 0.0002205900000000, -0.0008471900000000 ] - [ 0.0011414100000000, 0.0009849400000000, -0.0002956800000000 ] - [ 0.0002117400000000, 0.0004338700000000, -0.0001537900000000 ] - [ -0.0001815200000000, -0.0007030200000000, 0.0009030900000000 ] - [ -0.0001132200000000, -0.0005840400000000, 0.0004034800000000 ] - [ 0.0043407500000000, -0.0057995100000000, 0.0061994600000000 ] - [ -0.0036825300000000, -0.0024363300000000, 0.0052174100000000 ] - [ -0.0038531100000000, -0.0032737600000000, -0.0088497400000000 ] - [ 0.0064616400000000, -0.0040599100000000, -0.0040893700000000 ] - [ 0.0003379000000000, -0.0012577000000000, -0.0001584500000000 ] - [ 0.0000514900000000, -0.0007485400000000, 0.0000679800000000 ] - [ -0.0005967500000000, 0.0014204000000000, 0.0003979200000000 ] - [ -0.0012559300000000, 0.0012845500000000, 0.0001865300000000 ] - [ -0.0009162800000000, 0.0223022000000000, -0.0110482900000000 ] - [ 0.0028340000000000, 0.0070978200000000, 0.0005175300000000 ] - [ -0.0020107900000000, -0.0053105100000000, 0.0004591600000000 ] - [ -0.0016480300000000, -0.0040292900000000, 0.0002048200000000 ] - [ -0.0001985700000000, 0.0008745400000000, 0.0004783200000000 ] - [ -0.0003069900000000, 0.0008186700000000, 0.0000271800000000 ] - [ 0.0004793100000000, -0.0007800400000000, -0.0003611800000000 ] - [ 0.0004279200000000, -0.0006252400000000, -0.0003074500000000 ] - [ -0.0013695900000000, -0.0086065500000000, -0.0011708200000000 ] - [ -0.0039370800000000, -0.0074573000000000, -0.0021142000000000 ] - [ 0.0239475500000000, 0.0416732400000000, -0.0146951300000000 ] - [ 0.0050524000000000, 0.0048876500000000, 0.0038950300000000 ] - [ 0.0026523400000000, -0.0001283300000000, 0.0064927800000000 ] - [ -0.0000235300000000, 0.0005721900000000, 0.0009374000000000 ] - [ -0.0015964700000000, -0.0014721400000000, -0.0031390600000000 ] - [ -0.0007007100000000, -0.0011195200000000, -0.0019002200000000 ] - [ 0.0007191300000000, -0.0030149600000000, -0.0041540100000000 ] - [ -0.0010747600000000, 0.0001216500000000, -0.0018606200000000 ] - [ 0.0014072100000000, -0.0016737800000000, 0.0062585200000000 ] - [ -0.0011230600000000, 0.0014755300000000, 0.0005386800000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0089175400000000, -0.0056644500000000, 0.0455588900000000 ] - [ 0.0000968300000000, 0.0054580000000000, 0.0041668700000000 ] - [ 0.0009773300000000, -0.0116454600000000, -0.0076218000000000 ] - [ 0.0015962200000000, -0.0049526500000000, -0.0044620800000000 ] - [ 0.0000000000000000, 0.2192111600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0139506100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0148961900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0102133000000000, 0.0000000000000000 ] - [ -0.0089175400000000, -0.0056644500000000, -0.0455588900000000 ] - [ -0.0000968300000000, 0.0054580000000000, -0.0041668700000000 ] - [ -0.0009773300000000, -0.0116454600000000, 0.0076218000000000 ] - [ -0.0015962200000000, -0.0049526500000000, 0.0044620800000000 ] - [ 0.0000000000000000, -0.0023475900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018886500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012719200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008196400000000, 0.0000000000000000 ] - [ 0.0004152300000000, -0.0027306800000000, -0.0039862200000000 ] - [ 0.0000627000000000, -0.0010528000000000, -0.0016472900000000 ] - [ 0.0016943800000000, 0.0015496500000000, 0.0043546200000000 ] - [ -0.0014421100000000, -0.0006297400000000, 0.0020743500000000 ] - [ -0.0004152300000000, -0.0027306800000000, 0.0039862200000000 ] - [ -0.0000627000000000, -0.0010528000000000, 0.0016472900000000 ] - [ -0.0016943800000000, 0.0015496500000000, -0.0043546200000000 ] - [ 0.0014421100000000, -0.0006297400000000, -0.0020743500000000 ] - [ -0.0019906400000000, 0.0033777700000000, -0.0014702600000000 ] - [ 0.0015219500000000, 0.0037059800000000, -0.0009167800000000 ] - [ 0.0003657700000000, -0.0033286100000000, 0.0002791000000000 ] - [ -0.0001425400000000, -0.0032387900000000, 0.0006026600000000 ] - [ 0.0274704400000000, -0.0230396300000000, 0.0098501500000000 ] - [ -0.0274704400000000, -0.0230396300000000, -0.0098501500000000 ] - [ -0.0221142900000000, -0.0230790000000000, -0.0088359700000000 ] - [ 0.0221142900000000, -0.0230790000000000, 0.0088359700000000 ] - [ 0.0019906400000000, 0.0033777700000000, 0.0014702600000000 ] - [ -0.0015219500000000, 0.0037059800000000, 0.0009167800000000 ] - [ -0.0003657700000000, -0.0033286100000000, -0.0002791000000000 ] - [ 0.0001425400000000, -0.0032387900000000, -0.0006026600000000 ] - [ 0.0004548800000000, -0.0001348600000000, 0.0002027600000000 ] - [ -0.0004548800000000, -0.0001348600000000, -0.0002027600000000 ] - [ -0.0001217500000000, -0.0012227300000000, 0.0002306600000000 ] - [ 0.0001217500000000, -0.0012227300000000, -0.0002306600000000 ] - [ 0.0016431200000000, -0.0081784900000000, -0.0036786600000000 ] - [ -0.0013509000000000, -0.0083619400000000, -0.0043977500000000 ] - [ -0.0142416700000000, 0.0148802900000000, 0.0286798800000000 ] - [ 0.0004447500000000, 0.0142947000000000, 0.0070745300000000 ] - [ -0.0016431200000000, -0.0081784900000000, 0.0036786600000000 ] - [ 0.0013509000000000, -0.0083619400000000, 0.0043977500000000 ] - [ 0.0142416700000000, 0.0148802900000000, -0.0286798800000000 ] - [ -0.0004447500000000, 0.0142947000000000, -0.0070745300000000 ] - [ 0.0015437100000000, 0.0035049400000000, -0.0030813500000000 ] - [ -0.0002512400000000, 0.0003584100000000, -0.0007889400000000 ] - [ 0.0021910500000000, 0.0021149500000000, 0.0072979500000000 ] - [ -0.0003250000000000, -0.0010304400000000, 0.0015865100000000 ] - [ 0.0034494400000000, -0.0003417700000000, 0.0075101700000000 ] - [ 0.0007849100000000, -0.0010368400000000, 0.0019929900000000 ] - [ -0.0007786300000000, 0.0009900400000000, -0.0020915100000000 ] - [ 0.0001194500000000, 0.0006352000000000, -0.0008320300000000 ] - [ -0.0004353300000000, -0.0007911400000000, 0.0007173600000000 ] - [ -0.0005438500000000, -0.0007351000000000, 0.0002706700000000 ] - [ 0.0002397700000000, 0.0008535700000000, -0.0001228700000000 ] - [ 0.0001898800000000, 0.0006990000000000, -0.0000680000000000 ] - [ -0.0016170700000000, 0.0084758000000000, -0.0009104100000000 ] - [ -0.0041496000000000, 0.0073387600000000, -0.0018564600000000 ] - [ 0.0258061900000000, -0.0433742300000000, -0.0157927000000000 ] - [ 0.0047992700000000, -0.0049716700000000, 0.0041307200000000 ] - [ -0.0004759100000000, -0.0227412100000000, -0.0116370400000000 ] - [ 0.0034427300000000, -0.0072715400000000, 0.0001783600000000 ] - [ -0.0013777000000000, 0.0050875900000000, 0.0001150100000000 ] - [ -0.0010057700000000, 0.0037914200000000, -0.0001352900000000 ] - [ 0.0009658800000000, 0.0014690300000000, -0.0004925800000000 ] - [ 0.0006827000000000, 0.0009624800000000, -0.0002661400000000 ] - [ 0.0000335400000000, -0.0012021600000000, 0.0000591700000000 ] - [ -0.0006221400000000, -0.0010636800000000, -0.0001514400000000 ] - [ 0.0036799000000000, 0.0055804600000000, 0.0058191100000000 ] - [ -0.0042989400000000, 0.0022206400000000, 0.0048541500000000 ] - [ -0.0045653600000000, 0.0031103600000000, -0.0092620600000000 ] - [ 0.0057815500000000, 0.0037939800000000, -0.0044144100000000 ] - [ 0.0005047500000000, -0.0007617400000000, -0.0006316400000000 ] - [ -0.0004201100000000, -0.0002131500000000, -0.0004887900000000 ] - [ -0.0008098300000000, 0.0009110500000000, 0.0005648800000000 ] - [ -0.0007381500000000, 0.0007916200000000, 0.0000659000000000 ] - [ -0.0055784000000000, -0.0207435900000000, 0.0076321800000000 ] - [ -0.0060305100000000, -0.0051635900000000, -0.0028616000000000 ] - [ 0.0022179700000000, 0.0087277300000000, 0.0011057300000000 ] - [ 0.0056976500000000, 0.0061298800000000, 0.0029545400000000 ] - [ 0.0004887000000000, 0.0004694300000000, 0.0011189400000000 ] - [ 0.0000863500000000, 0.0003757400000000, 0.0004921600000000 ] - [ -0.0002725200000000, -0.0003991000000000, -0.0008612300000000 ] - [ 0.0000991900000000, -0.0001444300000000, -0.0006009900000000 ] - [ 0.0049553300000000, -0.0084673600000000, -0.0028891000000000 ] - [ 0.0004594500000000, -0.0026589100000000, 0.0003404900000000 ] - [ -0.0025152700000000, 0.0041539000000000, 0.0012731600000000 ] - [ -0.0022419900000000, 0.0036727300000000, 0.0005315300000000 ] - [ 0.0000417100000000, 0.0016696700000000, 0.0017063400000000 ] - [ -0.0005234500000000, 0.0011616600000000, 0.0017704500000000 ] - [ -0.0008946300000000, -0.0024238400000000, 0.0000164600000000 ] - [ 0.0019741800000000, -0.0024749400000000, -0.0059742800000000 ] - [ -0.0000417100000000, 0.0016696700000000, -0.0017063400000000 ] - [ 0.0005234500000000, 0.0011616600000000, -0.0017704500000000 ] - [ 0.0008946300000000, -0.0024238400000000, -0.0000164600000000 ] - [ -0.0019741800000000, -0.0024749400000000, 0.0059742800000000 ] - [ -0.0049553300000000, -0.0084673600000000, 0.0028891000000000 ] - [ -0.0004594500000000, -0.0026589100000000, -0.0003404900000000 ] - [ 0.0025152700000000, 0.0041539000000000, -0.0012731600000000 ] - [ 0.0022419900000000, 0.0036727300000000, -0.0005315300000000 ] - [ 0.0055784000000000, -0.0207435900000000, -0.0076321800000000 ] - [ 0.0060305100000000, -0.0051635900000000, 0.0028616000000000 ] - [ -0.0022179700000000, 0.0087277300000000, -0.0011057300000000 ] - [ -0.0056976500000000, 0.0061298800000000, -0.0029545400000000 ] - [ -0.0004887000000000, 0.0004694300000000, -0.0011189400000000 ] - [ -0.0000863500000000, 0.0003757400000000, -0.0004921600000000 ] - [ 0.0002725200000000, -0.0003991000000000, 0.0008612300000000 ] - [ -0.0000991900000000, -0.0001444300000000, 0.0006009900000000 ] - [ -0.0005047500000000, -0.0007617400000000, 0.0006316400000000 ] - [ 0.0004201100000000, -0.0002131500000000, 0.0004887900000000 ] - [ 0.0008098300000000, 0.0009110500000000, -0.0005648800000000 ] - [ 0.0007381500000000, 0.0007916200000000, -0.0000659000000000 ] - [ -0.0036799000000000, 0.0055804600000000, -0.0058191100000000 ] - [ 0.0042989400000000, 0.0022206400000000, -0.0048541500000000 ] - [ 0.0045653600000000, 0.0031103600000000, 0.0092620600000000 ] - [ -0.0057815500000000, 0.0037939800000000, 0.0044144100000000 ] - [ -0.0009658800000000, 0.0014690300000000, 0.0004925800000000 ] - [ -0.0006827000000000, 0.0009624800000000, 0.0002661400000000 ] - [ -0.0000335400000000, -0.0012021600000000, -0.0000591700000000 ] - [ 0.0006221400000000, -0.0010636800000000, 0.0001514400000000 ] - [ 0.0004759100000000, -0.0227412100000000, 0.0116370400000000 ] - [ -0.0034427300000000, -0.0072715400000000, -0.0001783600000000 ] - [ 0.0013777000000000, 0.0050875900000000, -0.0001150100000000 ] - [ 0.0010057700000000, 0.0037914200000000, 0.0001352900000000 ] - [ 0.0004353300000000, -0.0007911400000000, -0.0007173600000000 ] - [ 0.0005438500000000, -0.0007351000000000, -0.0002706700000000 ] - [ -0.0002397700000000, 0.0008535700000000, 0.0001228700000000 ] - [ -0.0001898800000000, 0.0006990000000000, 0.0000680000000000 ] - [ 0.0016170700000000, 0.0084758000000000, 0.0009104100000000 ] - [ 0.0041496000000000, 0.0073387600000000, 0.0018564600000000 ] - [ -0.0258061900000000, -0.0433742300000000, 0.0157927000000000 ] - [ -0.0047992700000000, -0.0049716700000000, -0.0041307200000000 ] - [ -0.0034494400000000, -0.0003417700000000, -0.0075101700000000 ] - [ -0.0007849100000000, -0.0010368400000000, -0.0019929900000000 ] - [ 0.0007786300000000, 0.0009900400000000, 0.0020915100000000 ] - [ -0.0001194500000000, 0.0006352000000000, 0.0008320300000000 ] - [ -0.0015437100000000, 0.0035049400000000, 0.0030813500000000 ] - [ 0.0002512400000000, 0.0003584100000000, 0.0007889400000000 ] - [ -0.0021910500000000, 0.0021149500000000, -0.0072979500000000 ] - [ 0.0003250000000000, -0.0010304400000000, -0.0015865100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0070334500000000, -0.0488639000000000, 0.0409898300000000 ] - [ 0.0000558300000000, -0.0037974900000000, -0.0032531300000000 ] - [ -0.0002303800000000, 0.0090501200000000, 0.0000079400000000 ] - [ -0.0007386800000000, 0.0051325400000000, -0.0038224400000000 ] - [ 0.0208226300000000, 0.0000354300000000, -0.2558846300000000 ] - [ -0.0008767600000000, 0.0006023300000000, -0.0154236400000000 ] - [ 0.0041292600000000, 0.0006166500000000, -0.0109771900000000 ] - [ -0.0028614500000000, 0.0006140100000000, -0.0049901100000000 ] - [ -0.0072830300000000, 0.0499717500000000, 0.0416203100000000 ] - [ -0.0001971500000000, 0.0043583900000000, -0.0031028100000000 ] - [ -0.0005188500000000, -0.0084884700000000, 0.0001563700000000 ] - [ -0.0009867000000000, -0.0045563700000000, -0.0036810200000000 ] - [ -0.0000906900000000, -0.0006024200000000, 0.0060137800000000 ] - [ -0.0002044100000000, -0.0006035500000000, 0.0049060900000000 ] - [ -0.0005429500000000, -0.0006077700000000, 0.0088461200000000 ] - [ -0.0003420600000000, -0.0006094700000000, 0.0080037700000000 ] - [ 0.0004327900000000, 0.0041492100000000, 0.0081367500000000 ] - [ -0.0000772300000000, 0.0015377200000000, 0.0039578800000000 ] - [ -0.0009744100000000, -0.0037013500000000, 0.0092000200000000 ] - [ 0.0002043900000000, -0.0023204700000000, 0.0068125900000000 ] - [ 0.0001707100000000, -0.0047085200000000, 0.0082919700000000 ] - [ -0.0003328800000000, -0.0021044400000000, 0.0041311000000000 ] - [ -0.0012233400000000, 0.0031169900000000, 0.0093712800000000 ] - [ -0.0000608400000000, 0.0017493400000000, 0.0069875300000000 ] - [ 0.0031707200000000, 0.0013438900000000, 0.0108176200000000 ] - [ -0.0031613400000000, 0.0019193200000000, 0.0109268100000000 ] - [ 0.0006793900000000, -0.0008473900000000, 0.0037215200000000 ] - [ -0.0007350700000000, -0.0004739400000000, 0.0038119800000000 ] - [ -0.0099739800000000, 0.0094979600000000, -0.0247019500000000 ] - [ -0.0099938600000000, -0.0083208400000000, -0.0247015300000000 ] - [ -0.0081060800000000, -0.0092275700000000, -0.0246595100000000 ] - [ -0.0081876600000000, 0.0105456500000000, -0.0247440700000000 ] - [ 0.0034126800000000, -0.0019168900000000, 0.0109843500000000 ] - [ -0.0028779900000000, -0.0025004000000000, 0.0110740400000000 ] - [ 0.0009325900000000, 0.0002801900000000, 0.0038940400000000 ] - [ -0.0004744400000000, -0.0000897100000000, 0.0039859200000000 ] - [ 0.0003224200000000, -0.0004002800000000, 0.0073456700000000 ] - [ 0.0003251400000000, -0.0008081800000000, 0.0073445100000000 ] - [ 0.0003363500000000, -0.0003747600000000, 0.0064173200000000 ] - [ 0.0003382800000000, -0.0008366100000000, 0.0064184400000000 ] - [ -0.0031088400000000, 0.0042860200000000, -0.0020878000000000 ] - [ 0.0030960000000000, 0.0033722900000000, -0.0023078800000000 ] - [ -0.0206967500000000, -0.0058947200000000, 0.0170294200000000 ] - [ 0.0335792800000000, -0.0254824500000000, 0.0151040600000000 ] - [ -0.0033477300000000, -0.0037002200000000, -0.0022331900000000 ] - [ 0.0028249500000000, -0.0027870500000000, -0.0024693400000000 ] - [ -0.0208896300000000, 0.0063580800000000, 0.0169739400000000 ] - [ 0.0331629900000000, 0.0259763500000000, 0.0148781700000000 ] - [ 0.0040017400000000, 0.0088396700000000, -0.0047076300000000 ] - [ 0.0002611000000000, 0.0016621300000000, -0.0000828600000000 ] - [ -0.0009068900000000, -0.0038595800000000, -0.0040871900000000 ] - [ -0.0061890600000000, -0.0057065200000000, -0.0029741500000000 ] - [ -0.0018387000000000, -0.0034158900000000, -0.0075316400000000 ] - [ 0.0014818600000000, -0.0018692400000000, -0.0007552500000000 ] - [ -0.0005035200000000, 0.0012150700000000, -0.0009872200000000 ] - [ -0.0000685600000000, 0.0008891800000000, -0.0002502600000000 ] - [ 0.0010449800000000, -0.0001115300000000, -0.0043747400000000 ] - [ 0.0014980000000000, -0.0004155500000000, -0.0044563800000000 ] - [ 0.0005011900000000, -0.0000003400000000, -0.0023750600000000 ] - [ 0.0006431600000000, -0.0000626800000000, -0.0023503700000000 ] - [ -0.0016146400000000, 0.0032807800000000, 0.0036405800000000 ] - [ 0.0005692500000000, -0.0030663700000000, 0.0048447300000000 ] - [ -0.0190892800000000, 0.0181773800000000, 0.0274902200000000 ] - [ -0.0031984900000000, -0.0031262300000000, 0.0115076700000000 ] - [ 0.0160006200000000, 0.0087892300000000, 0.0427275100000000 ] - [ 0.0064952900000000, -0.0015973900000000, 0.0038463500000000 ] - [ 0.0003099200000000, 0.0011146500000000, 0.0029377100000000 ] - [ 0.0020999900000000, -0.0000779700000000, 0.0025847300000000 ] - [ 0.0001124900000000, 0.0013003200000000, -0.0033004800000000 ] - [ -0.0002912500000000, 0.0004799600000000, -0.0024349500000000 ] - [ -0.0007046500000000, 0.0000516100000000, -0.0047285500000000 ] - [ -0.0014805800000000, -0.0002340900000000, -0.0043110600000000 ] - [ -0.0078921100000000, -0.0086303500000000, 0.0069733900000000 ] - [ 0.0007730700000000, -0.0017562600000000, 0.0011605100000000 ] - [ -0.0041787500000000, 0.0095707400000000, 0.0062871500000000 ] - [ 0.0030520400000000, 0.0047429000000000, 0.0026229500000000 ] - [ 0.0007007400000000, 0.0010513600000000, -0.0042739700000000 ] - [ -0.0004401800000000, 0.0015740300000000, -0.0037014000000000 ] - [ 0.0012232700000000, -0.0006492900000000, -0.0034815000000000 ] - [ 0.0007661200000000, -0.0003768900000000, -0.0030660500000000 ] - [ 0.0076084900000000, 0.0049867000000000, 0.0238047800000000 ] - [ 0.0014072200000000, 0.0024172900000000, 0.0069645000000000 ] - [ 0.0000546200000000, -0.0039512700000000, 0.0040850600000000 ] - [ 0.0038526400000000, 0.0010329300000000, 0.0054496700000000 ] - [ -0.0010490100000000, -0.0004320000000000, -0.0034704300000000 ] - [ -0.0005719700000000, -0.0002013000000000, -0.0024027800000000 ] - [ -0.0009882600000000, 0.0001650300000000, -0.0042476200000000 ] - [ -0.0008960200000000, 0.0001048500000000, -0.0034489400000000 ] - [ 0.0066631800000000, 0.0000257900000000, -0.0082389000000000 ] - [ -0.0051832000000000, 0.0034740900000000, -0.0033698100000000 ] - [ 0.0005613300000000, -0.0001493600000000, -0.0003614900000000 ] - [ -0.0002059000000000, -0.0000435300000000, 0.0002049800000000 ] - [ -0.0013202800000000, -0.0013816800000000, 0.0000400800000000 ] - [ 0.0002583700000000, -0.0007205300000000, -0.0005648400000000 ] - [ -0.0003912100000000, 0.0014089800000000, -0.0072452900000000 ] - [ 0.0025000300000000, 0.0002302600000000, -0.0047753900000000 ] - [ -0.0005006300000000, 0.0009027300000000, -0.0010253600000000 ] - [ 0.0010709400000000, 0.0002442400000000, -0.0016298600000000 ] - [ 0.0004341900000000, -0.0018805700000000, -0.0082992400000000 ] - [ 0.0033167700000000, -0.0006911700000000, -0.0058663900000000 ] - [ 0.0075277700000000, 0.0004612300000000, -0.0093345300000000 ] - [ -0.0043654900000000, -0.0029992100000000, -0.0044224400000000 ] - [ 0.0013762600000000, 0.0006200000000000, -0.0014190200000000 ] - [ 0.0006008800000000, 0.0005113800000000, -0.0008514100000000 ] - [ 0.0072993500000000, -0.0049418600000000, 0.0236558400000000 ] - [ 0.0011688600000000, -0.0024969400000000, 0.0067365300000000 ] - [ -0.0001659300000000, 0.0038430900000000, 0.0038561300000000 ] - [ 0.0036410600000000, -0.0011292800000000, 0.0052323200000000 ] - [ -0.0012848800000000, 0.0005075600000000, -0.0037077700000000 ] - [ -0.0008114000000000, 0.0002770100000000, -0.0026444100000000 ] - [ -0.0012257400000000, -0.0000838200000000, -0.0044898900000000 ] - [ -0.0011338200000000, -0.0000249400000000, -0.0036928100000000 ] - [ 0.0013335200000000, -0.0008362200000000, -0.0039411900000000 ] - [ 0.0001878100000000, -0.0013606800000000, -0.0033637400000000 ] - [ 0.0018550100000000, 0.0008652700000000, -0.0031427200000000 ] - [ 0.0013951200000000, 0.0005922400000000, -0.0027280400000000 ] - [ -0.0072417700000000, 0.0083864800000000, 0.0072886300000000 ] - [ 0.0014050800000000, 0.0015414400000000, 0.0014863900000000 ] - [ -0.0035199400000000, -0.0097225700000000, 0.0066035100000000 ] - [ 0.0037035600000000, -0.0049714600000000, 0.0029381400000000 ] - [ -0.0005148500000000, -0.0010905500000000, -0.0029644500000000 ] - [ -0.0009213900000000, -0.0002661800000000, -0.0020975300000000 ] - [ -0.0013359200000000, 0.0001697200000000, -0.0043944500000000 ] - [ -0.0021155500000000, 0.0004544100000000, -0.0039741100000000 ] - [ 0.0132342100000000, -0.0083721900000000, 0.0394936000000000 ] - [ 0.0058750100000000, 0.0013976100000000, 0.0041732800000000 ] - [ -0.0003250900000000, -0.0013311700000000, 0.0032663000000000 ] - [ 0.0014629000000000, -0.0001454800000000, 0.0029140000000000 ] - [ 0.0012828500000000, 0.0001905900000000, -0.0046142200000000 ] - [ 0.0017294300000000, 0.0004945200000000, -0.0046904400000000 ] - [ 0.0007406700000000, 0.0000766100000000, -0.0026171200000000 ] - [ 0.0008807900000000, 0.0001398700000000, -0.0025921700000000 ] - [ -0.0013761900000000, -0.0033597100000000, 0.0034078400000000 ] - [ 0.0008036700000000, 0.0029906200000000, 0.0046125000000000 ] - [ -0.0195631600000000, -0.0188762000000000, 0.0274587600000000 ] - [ -0.0029644800000000, 0.0030672600000000, 0.0113067300000000 ] - [ -0.0026493300000000, 0.0029329000000000, -0.0085826600000000 ] - [ 0.0006590900000000, 0.0013940500000000, -0.0018232600000000 ] - [ -0.0013202600000000, -0.0016873100000000, -0.0020535800000000 ] - [ -0.0008849600000000, -0.0013634300000000, -0.0013210900000000 ] - [ 0.0032027500000000, -0.0084079900000000, -0.0057939900000000 ] - [ -0.0005552000000000, -0.0011875300000000, -0.0011401400000000 ] - [ -0.0017001900000000, 0.0043309000000000, -0.0051181300000000 ] - [ -0.0070173100000000, 0.0061966000000000, -0.0040316600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0248293400000000, 0.0129359700000000, 0.0023179100000000 ] - [ -0.0090846700000000, 0.0066145900000000, 0.0015800400000000 ] - [ 0.0050798800000000, -0.0023891100000000, -0.0007696000000000 ] - [ -0.0051195000000000, -0.0060850900000000, 0.0037416300000000 ] - [ 0.0024581100000000, -0.0005306500000000, 0.0036183500000000 ] - [ -0.0013452100000000, 0.0012725900000000, -0.0001480100000000 ] - [ 0.0047456200000000, -0.0011941900000000, -0.0013020700000000 ] - [ -0.0048902100000000, 0.0013274200000000, -0.0066249400000000 ] - [ 0.0008118300000000, 0.0012691700000000, 0.0000314200000000 ] - [ -0.0010422400000000, 0.0002512300000000, -0.0009935800000000 ] - [ 0.0001695400000000, -0.0002687000000000, -0.0009863500000000 ] - [ -0.0003600400000000, -0.0004988300000000, -0.0013159700000000 ] - [ 0.0025629800000000, 0.0024573500000000, -0.0022537700000000 ] - [ -0.0014060000000000, -0.0002228400000000, 0.0010759200000000 ] - [ 0.0011992200000000, -0.0017962700000000, -0.0009140000000000 ] - [ -0.0010822100000000, -0.0008989700000000, -0.0004748000000000 ] - [ 0.0007684400000000, -0.0001281900000000, -0.0015982900000000 ] - [ -0.0003415500000000, -0.0000922600000000, -0.0010827700000000 ] - [ 0.0003547400000000, -0.0005406700000000, -0.0006801000000000 ] - [ -0.0001040700000000, -0.0007212100000000, -0.0007357200000000 ] - [ 0.0247836900000000, 0.0076204000000000, 0.0119340000000000 ] - [ -0.0097034200000000, 0.0038872100000000, 0.0061177100000000 ] - [ 0.0017575900000000, -0.0020259400000000, 0.0002750100000000 ] - [ -0.0019328100000000, -0.0021587500000000, 0.0019847800000000 ] - [ -0.0000032300000000, -0.0003910600000000, -0.0007165700000000 ] - [ -0.0002930400000000, -0.0006783300000000, -0.0012036900000000 ] - [ 0.0002336500000000, -0.0003394900000000, -0.0010184000000000 ] - [ -0.0006374000000000, 0.0001074300000000, -0.0009924000000000 ] - [ -0.0039135200000000, 0.0014773800000000, 0.0047721000000000 ] - [ 0.0039264800000000, 0.0059854600000000, -0.0071103500000000 ] - [ -0.0009317800000000, -0.0012429100000000, -0.0001986500000000 ] - [ 0.0008052100000000, -0.0015063200000000, -0.0009689700000000 ] - [ -0.0075489100000000, -0.0061933600000000, -0.0032072900000000 ] - [ 0.0033045900000000, 0.0023848400000000, 0.0027265300000000 ] - [ -0.0037995200000000, 0.0044801200000000, -0.0012307300000000 ] - [ 0.0041111900000000, -0.0057680200000000, 0.0089314800000000 ] - [ -0.0039082100000000, -0.0030066400000000, -0.0029099000000000 ] - [ 0.0016610000000000, -0.0001129800000000, -0.0000362300000000 ] - [ -0.0003295200000000, -0.0004863800000000, -0.0006634200000000 ] - [ 0.0003525000000000, -0.0010540900000000, 0.0009128000000000 ] - [ -0.0002061600000000, 0.0012077900000000, -0.0006679000000000 ] - [ 0.0003494200000000, 0.0001238500000000, -0.0023280000000000 ] - [ -0.0002714000000000, -0.0000824600000000, -0.0000810400000000 ] - [ 0.0005413400000000, -0.0002435700000000, -0.0004026200000000 ] - [ 0.0242128600000000, 0.0130701400000000, 0.0094301500000000 ] - [ -0.0092229500000000, 0.0053425700000000, 0.0041467800000000 ] - [ 0.0015762000000000, -0.0010091600000000, 0.0007081900000000 ] - [ -0.0041657000000000, -0.0039394600000000, -0.0006103000000000 ] - [ -0.1301601500000000, -0.0705205200000000, -0.0467733600000000 ] - [ 0.0042218000000000, 0.0007390800000000, 0.0006897800000000 ] - [ -0.0001643100000000, 0.0011963400000000, 0.0000071700000000 ] - [ 0.0023319300000000, 0.0026141600000000, -0.0001029000000000 ] - [ 0.0002788800000000, -0.0002240200000000, 0.0008379100000000 ] - [ 0.0007275700000000, -0.0003237400000000, 0.0010185500000000 ] - [ 0.0003992000000000, -0.0001020100000000, 0.0009670100000000 ] - [ 0.0006688400000000, -0.0001687300000000, 0.0011150500000000 ] - [ -0.0004982700000000, -0.0000595400000000, 0.0003836100000000 ] - [ 0.0005263600000000, 0.0009061400000000, 0.0008443200000000 ] - [ -0.0011170900000000, -0.0006395200000000, 0.0007184900000000 ] - [ 0.0002166900000000, 0.0001624100000000, 0.0001932600000000 ] - [ -0.0065885400000000, 0.0007487100000000, 0.0094196200000000 ] - [ 0.0035395700000000, -0.0017051500000000, -0.0015352000000000 ] - [ -0.0012076700000000, 0.0010457100000000, 0.0002115000000000 ] - [ 0.0008874900000000, 0.0004665300000000, -0.0007083100000000 ] - [ -0.0002466800000000, -0.0001558200000000, -0.0009659400000000 ] - [ 0.0007060700000000, -0.0001914700000000, 0.0001089000000000 ] - [ 0.0000924000000000, 0.0002555700000000, 0.0006660000000000 ] - [ 0.0012800100000000, 0.0000651700000000, 0.0014632700000000 ] - [ -0.0046628300000000, -0.0045067000000000, 0.0002567500000000 ] - [ 0.0030996200000000, 0.0009003000000000, -0.0007831200000000 ] - [ -0.0002949900000000, 0.0002906300000000, -0.0004232400000000 ] - [ 0.0027194500000000, 0.0022591300000000, 0.0006962700000000 ] - [ -0.0014133400000000, -0.0005935900000000, 0.0016442800000000 ] - [ 0.0005845300000000, -0.0005722800000000, -0.0012838700000000 ] - [ -0.0004748200000000, 0.0002421300000000, 0.0002642000000000 ] - [ -0.0000899600000000, 0.0003383600000000, 0.0000470400000000 ] - [ -0.0058345000000000, 0.0016383100000000, -0.0010876200000000 ] - [ 0.0029799200000000, -0.0015519400000000, -0.0008696400000000 ] - [ -0.0014713400000000, 0.0016632600000000, -0.0013186700000000 ] - [ 0.0008279000000000, -0.0008445400000000, 0.0001295200000000 ] - [ -0.0049416500000000, -0.0015514800000000, -0.0044519400000000 ] - [ 0.0026813500000000, -0.0000305800000000, 0.0009841500000000 ] - [ -0.0005244900000000, 0.0008382700000000, 0.0004242000000000 ] - [ 0.0026068000000000, 0.0016984200000000, 0.0011764800000000 ] - [ -0.0005619800000000, 0.0002637500000000, 0.0007319300000000 ] - [ 0.0014341100000000, -0.0006937500000000, 0.0007571500000000 ] - [ -0.0001881900000000, 0.0004426000000000, 0.0001881900000000 ] - [ 0.0003568200000000, 0.0001408900000000, 0.0005093100000000 ] - [ -0.0059699900000000, 0.0000774400000000, 0.0018345000000000 ] - [ 0.0028862900000000, -0.0005212300000000, -0.0011142100000000 ] - [ -0.0059918100000000, 0.0090466400000000, -0.0027693900000000 ] - [ 0.0028869900000000, -0.0015517300000000, -0.0007657200000000 ] - [ -0.0008828000000000, -0.0003738100000000, 0.0014289100000000 ] - [ -0.0003886300000000, -0.0003269200000000, 0.0009504500000000 ] - [ -0.0005138700000000, -0.0001324800000000, 0.0007815200000000 ] - [ -0.0003060900000000, -0.0000014200000000, 0.0008182700000000 ] - [ 0.0121240500000000, -0.0097879600000000, 0.0013978000000000 ] - [ 0.0122208000000000, 0.0069388200000000, -0.0121226800000000 ] - [ 0.0002013500000000, 0.0017801100000000, -0.0006836700000000 ] - [ 0.0001915700000000, 0.0000779300000000, -0.0009029900000000 ] - [ 0.0003063400000000, 0.0002933000000000, -0.0002366700000000 ] - [ 0.0002928200000000, 0.0002322000000000, -0.0001340300000000 ] - [ 0.0002942800000000, 0.0001394700000000, -0.0000484600000000 ] - [ 0.0003056200000000, 0.0003916700000000, 0.0001137900000000 ] - [ -0.0003720700000000, -0.0001602900000000, -0.0010984900000000 ] - [ 0.0009734300000000, -0.0012052400000000, 0.0010707100000000 ] - [ -0.0005154300000000, 0.0007043600000000, 0.0003298600000000 ] - [ -0.0001290800000000, 0.0007736000000000, 0.0010426100000000 ] - [ 0.0083124000000000, -0.0019255900000000, 0.0122761000000000 ] - [ -0.0003842300000000, -0.0005042200000000, -0.0019511500000000 ] - [ -0.0003473200000000, 0.0003001400000000, -0.0001745800000000 ] - [ 0.0002853800000000, 0.0005462700000000, -0.0002740900000000 ] - [ 0.0001161400000000, 0.0002980900000000, 0.0012224500000000 ] - [ 0.0001728900000000, 0.0000879800000000, 0.0004481000000000 ] - [ 0.0002837600000000, 0.0000910900000000, 0.0004759700000000 ] - [ 0.0003122100000000, 0.0001868300000000, 0.0001439800000000 ] - [ 0.0113638800000000, -0.0018832000000000, -0.0095552100000000 ] - [ 0.0106176900000000, -0.0074089900000000, 0.0101931400000000 ] - [ -0.0003137200000000, 0.0015563900000000, 0.0000213700000000 ] - [ -0.0002560200000000, 0.0014335900000000, 0.0001284900000000 ] - [ -0.0001855200000000, -0.0002807300000000, 0.0012857100000000 ] - [ -0.0001954400000000, -0.0000210500000000, 0.0002069300000000 ] - [ -0.0003925300000000, 0.0003741100000000, 0.0005476100000000 ] - [ -0.0001538600000000, 0.0002686200000000, 0.0005019700000000 ] - [ 0.0073183200000000, 0.0104495600000000, -0.0061991400000000 ] - [ -0.0002472600000000, -0.0013832600000000, 0.0004187500000000 ] - [ -0.0017475500000000, -0.0017036100000000, -0.0012289300000000 ] - [ 0.0174364400000000, 0.0142204000000000, 0.0094390300000000 ] - [ -0.0002010600000000, 0.0010930900000000, 0.0014694700000000 ] - [ 0.0000044400000000, -0.0000612900000000, -0.0004157100000000 ] - [ 0.0003832200000000, -0.0009065600000000, 0.0001015300000000 ] - [ 0.0006596800000000, 0.0003159500000000, -0.0018511900000000 ] - [ -0.0007029400000000, -0.0011439800000000, -0.0001951300000000 ] - [ -0.0001553500000000, -0.0002067300000000, 0.0019855700000000 ] - [ 0.0007142800000000, 0.0009386000000000, -0.0005523100000000 ] - [ 0.0000748100000000, 0.0002079500000000, 0.0001674300000000 ] - [ 0.0180799300000000, 0.0183103200000000, 0.0112686100000000 ] - [ 0.0020066800000000, -0.0028394800000000, -0.0023833000000000 ] - [ -0.0016038900000000, -0.0006476700000000, -0.0016196400000000 ] - [ 0.0006013000000000, 0.0020883400000000, -0.0017363800000000 ] - [ -0.0003034600000000, 0.0000378300000000, -0.0000608100000000 ] - [ 0.0000547500000000, -0.0000263400000000, 0.0001666500000000 ] - [ -0.0004716000000000, 0.0005170000000000, -0.0002476900000000 ] - [ -0.0004288800000000, 0.0005359800000000, -0.0001442700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0248185700000000, -0.0133752200000000, -0.0019219500000000 ] - [ 0.0093113800000000, -0.0059961500000000, -0.0017297500000000 ] - [ -0.0048168700000000, 0.0029526000000000, 0.0006011200000000 ] - [ 0.0053559500000000, 0.0066103800000000, -0.0038970800000000 ] - [ -0.0024555900000000, 0.0017323400000000, -0.0035860300000000 ] - [ 0.0013444400000000, -0.0000534900000000, 0.0001459500000000 ] - [ -0.0047410300000000, 0.0024043800000000, 0.0013051300000000 ] - [ 0.0048708900000000, -0.0001207900000000, 0.0065814400000000 ] - [ -0.0010666800000000, -0.0006932600000000, 0.0001350100000000 ] - [ 0.0007855800000000, 0.0003223600000000, 0.0011532000000000 ] - [ -0.0004256100000000, 0.0008365400000000, 0.0011507900000000 ] - [ 0.0001038800000000, 0.0010640500000000, 0.0014764700000000 ] - [ -0.0025617200000000, -0.0036444500000000, 0.0022342100000000 ] - [ 0.0014059300000000, -0.0009843500000000, -0.0010648500000000 ] - [ -0.0012080100000000, 0.0005789300000000, 0.0009100800000000 ] - [ 0.0010881600000000, -0.0003181400000000, 0.0004788700000000 ] - [ -0.0005120800000000, -0.0004435900000000, 0.0014171700000000 ] - [ 0.0005987500000000, -0.0004746700000000, 0.0009088000000000 ] - [ -0.0000989700000000, -0.0000309800000000, 0.0005100200000000 ] - [ 0.0003592000000000, 0.0001486100000000, 0.0005660300000000 ] - [ -0.0253168400000000, -0.0080840400000000, -0.0129796900000000 ] - [ 0.0094161900000000, -0.0044184300000000, -0.0059075900000000 ] - [ -0.0020203600000000, 0.0014461400000000, -0.0001074100000000 ] - [ 0.0016822500000000, 0.0015781600000000, -0.0018135600000000 ] - [ -0.0002509300000000, -0.0001830800000000, 0.0005408700000000 ] - [ 0.0000350800000000, 0.0001063000000000, 0.0010316200000000 ] - [ -0.0004859900000000, -0.0002305200000000, 0.0008446500000000 ] - [ 0.0003760700000000, -0.0006737600000000, 0.0008194100000000 ] - [ 0.0038981600000000, -0.0002611600000000, -0.0047771000000000 ] - [ -0.0038720200000000, -0.0047491400000000, 0.0070800600000000 ] - [ 0.0009220800000000, 0.0024426100000000, 0.0001960800000000 ] - [ -0.0007972800000000, 0.0027043300000000, 0.0009683200000000 ] - [ 0.0078146200000000, 0.0056428100000000, 0.0033923000000000 ] - [ -0.0029929900000000, -0.0029812900000000, -0.0025742700000000 ] - [ 0.0040402700000000, -0.0050520400000000, 0.0014099200000000 ] - [ -0.0037997600000000, 0.0051748300000000, -0.0087245700000000 ] - [ 0.0038820100000000, 0.0017748600000000, 0.0029076200000000 ] - [ -0.0016306800000000, -0.0010899400000000, 0.0000067700000000 ] - [ 0.0003251000000000, -0.0007235600000000, 0.0006660400000000 ] - [ -0.0003482200000000, -0.0001575100000000, -0.0009077200000000 ] - [ 0.0004570800000000, -0.0006355300000000, 0.0008279700000000 ] - [ -0.0000895000000000, 0.0004446900000000, 0.0024842000000000 ] - [ 0.0005231000000000, 0.0006522500000000, 0.0002497800000000 ] - [ -0.0002815300000000, 0.0008108400000000, 0.0005692000000000 ] - [ -0.0233088400000000, -0.0109899100000000, -0.0085578500000000 ] - [ 0.0089301000000000, -0.0047765600000000, -0.0043144800000000 ] - [ -0.0018003900000000, 0.0015455700000000, -0.0008530400000000 ] - [ 0.0038804800000000, 0.0044947600000000, 0.0004219500000000 ] - [ 0.1304243800000000, 0.0703828500000000, 0.0475045000000000 ] - [ -0.0033971100000000, -0.0002664000000000, 0.0003717700000000 ] - [ 0.0009811100000000, -0.0007115700000000, 0.0010556900000000 ] - [ -0.0015099800000000, -0.0021283100000000, 0.0011631700000000 ] - [ 0.0005350700000000, -0.0002493200000000, 0.0002275000000000 ] - [ 0.0000872500000000, -0.0001504300000000, 0.0000469800000000 ] - [ 0.0004142700000000, -0.0003705100000000, 0.0000972400000000 ] - [ 0.0001463400000000, -0.0003038500000000, -0.0000496100000000 ] - [ 0.0002605500000000, 0.0001431900000000, -0.0001355900000000 ] - [ -0.0007623700000000, -0.0008247500000000, -0.0006032500000000 ] - [ 0.0008729100000000, 0.0007120000000000, -0.0004737100000000 ] - [ -0.0004524600000000, -0.0000836600000000, 0.0000460900000000 ] - [ 0.0062781300000000, -0.0008600100000000, -0.0091717800000000 ] - [ -0.0037638900000000, 0.0016228600000000, 0.0017766600000000 ] - [ 0.0009647000000000, -0.0011151900000000, 0.0000246200000000 ] - [ -0.0011203500000000, -0.0005434800000000, 0.0009471600000000 ] - [ 0.0008742700000000, -0.0000597900000000, 0.0006228200000000 ] - [ -0.0000735000000000, -0.0000255900000000, -0.0004431400000000 ] - [ 0.0005369400000000, -0.0004697400000000, -0.0010009500000000 ] - [ -0.0006441900000000, -0.0002784100000000, -0.0017887500000000 ] - [ 0.0052776700000000, 0.0046833100000000, -0.0005697100000000 ] - [ -0.0024600500000000, -0.0006804900000000, 0.0004349600000000 ] - [ 0.0009302500000000, -0.0000653200000000, 0.0000908400000000 ] - [ -0.0020987600000000, -0.0020517500000000, -0.0010425900000000 ] - [ 0.0007760100000000, 0.0003760100000000, -0.0019713400000000 ] - [ -0.0012167400000000, 0.0003564300000000, 0.0009538100000000 ] - [ -0.0001571100000000, -0.0004553700000000, -0.0005993000000000 ] - [ -0.0005388400000000, -0.0005506900000000, -0.0003820400000000 ] - [ 0.0051786600000000, -0.0013871400000000, 0.0008337000000000 ] - [ -0.0036002400000000, 0.0017644300000000, 0.0005191500000000 ] - [ 0.0008345000000000, -0.0014393300000000, 0.0009762000000000 ] - [ -0.0014593500000000, 0.0010648100000000, -0.0004711100000000 ] - [ 0.0051606900000000, 0.0014751500000000, 0.0046493700000000 ] - [ -0.0024355500000000, -0.0000546800000000, -0.0007362600000000 ] - [ 0.0007594100000000, -0.0009134600000000, -0.0001837600000000 ] - [ -0.0023545700000000, -0.0017634800000000, -0.0009275800000000 ] - [ 0.0007985400000000, -0.0001874600000000, -0.0004827300000000 ] - [ -0.0011923900000000, 0.0007686200000000, -0.0005161600000000 ] - [ 0.0004244400000000, -0.0003621600000000, 0.0000523700000000 ] - [ -0.0001192800000000, -0.0000609100000000, -0.0002689500000000 ] - [ 0.0051271900000000, 0.0004927700000000, -0.0007736900000000 ] - [ -0.0036900200000000, 0.0009838100000000, 0.0021775200000000 ] - [ 0.0051057800000000, -0.0085666800000000, 0.0037987000000000 ] - [ -0.0036893400000000, 0.0020264600000000, 0.0018229500000000 ] - [ 0.0000656600000000, -0.0001007900000000, -0.0003607800000000 ] - [ -0.0004253800000000, -0.0001469700000000, 0.0001153900000000 ] - [ -0.0003003000000000, -0.0003390700000000, 0.0002820800000000 ] - [ -0.0005068700000000, -0.0004705500000000, 0.0002448900000000 ] - [ -0.0113711100000000, 0.0093688500000000, -0.0025158700000000 ] - [ -0.0112741900000000, -0.0073104300000000, 0.0109135600000000 ] - [ 0.0006180100000000, -0.0022586600000000, -0.0003742500000000 ] - [ 0.0006082300000000, -0.0005395200000000, -0.0001586300000000 ] - [ 0.0005073900000000, 0.0001802700000000, -0.0008244400000000 ] - [ 0.0005184800000000, 0.0002407100000000, -0.0009246500000000 ] - [ 0.0005199100000000, 0.0003347300000000, -0.0010108200000000 ] - [ 0.0005066900000000, 0.0000824500000000, -0.0011727600000000 ] - [ 0.0001417000000000, 0.0000751700000000, 0.0008560600000000 ] - [ -0.0012094000000000, 0.0011209400000000, -0.0013045800000000 ] - [ 0.0002777200000000, -0.0007799000000000, -0.0005684700000000 ] - [ -0.0001115000000000, -0.0008442900000000, -0.0012773300000000 ] - [ -0.0085512000000000, 0.0019996200000000, -0.0124462100000000 ] - [ 0.0001320100000000, 0.0005728100000000, 0.0016944600000000 ] - [ 0.0001113800000000, -0.0002196900000000, -0.0000665000000000 ] - [ -0.0005257400000000, -0.0004657000000000, 0.0000307700000000 ] - [ 0.0005160800000000, -0.0000800300000000, -0.0008829200000000 ] - [ 0.0004525200000000, 0.0001286400000000, -0.0001028400000000 ] - [ 0.0003476100000000, 0.0001246800000000, -0.0001399500000000 ] - [ 0.0003176800000000, 0.0000292400000000, 0.0001919700000000 ] - [ -0.0107917800000000, 0.0016417400000000, 0.0099609700000000 ] - [ -0.0098792600000000, 0.0071115500000000, -0.0097266400000000 ] - [ 0.0009457700000000, -0.0017636700000000, 0.0003150400000000 ] - [ 0.0008754900000000, -0.0016305500000000, 0.0002052400000000 ] - [ -0.0004413700000000, 0.0004931000000000, -0.0009382400000000 ] - [ -0.0004364900000000, 0.0002352500000000, 0.0001279500000000 ] - [ -0.0002377300000000, -0.0001571500000000, -0.0002099200000000 ] - [ -0.0004781500000000, -0.0000511100000000, -0.0001655600000000 ] - [ -0.0079449800000000, -0.0105943500000000, 0.0064985700000000 ] - [ -0.0003949400000000, 0.0011541100000000, -0.0000843400000000 ] - [ 0.0011215800000000, 0.0014871200000000, 0.0015623700000000 ] - [ -0.0179073300000000, -0.0143419800000000, -0.0090448100000000 ] - [ 0.0004458700000000, -0.0010122300000000, -0.0017196800000000 ] - [ 0.0002206100000000, 0.0001437600000000, 0.0001813500000000 ] - [ -0.0001373800000000, 0.0009791500000000, -0.0003482100000000 ] - [ -0.0004236300000000, -0.0002359500000000, 0.0016023300000000 ] - [ 0.0009414300000000, 0.0010661800000000, -0.0000431600000000 ] - [ 0.0003826900000000, 0.0001262000000000, -0.0022130000000000 ] - [ -0.0004702200000000, -0.0010091600000000, 0.0003063500000000 ] - [ 0.0001597600000000, -0.0002856400000000, -0.0004062100000000 ] - [ -0.0190875600000000, -0.0190569100000000, -0.0125061200000000 ] - [ -0.0028176000000000, 0.0023381900000000, 0.0013017200000000 ] - [ 0.0007923600000000, 0.0001779300000000, 0.0005554500000000 ] - [ -0.0014173900000000, -0.0025477500000000, 0.0006672000000000 ] - [ -0.0005082600000000, 0.0004338100000000, -0.0009973100000000 ] - [ -0.0008677800000000, 0.0004982900000000, -0.0012248400000000 ] - [ -0.0003424600000000, -0.0000419500000000, -0.0008139300000000 ] - [ -0.0003859400000000, -0.0000600300000000, -0.0009166400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0132703800000000, 0.0324354100000000, -0.0036240900000000 ] - [ -0.0010569400000000, 0.0044157300000000, 0.0010338800000000 ] - [ 0.0067618600000000, -0.0095493800000000, -0.0038517700000000 ] - [ -0.0035840700000000, -0.0070492100000000, 0.0014739000000000 ] - [ 0.0017263100000000, -0.0026491100000000, 0.0085905200000000 ] - [ -0.0005061400000000, 0.0004827900000000, 0.0014194800000000 ] - [ 0.0037979500000000, -0.0012804800000000, -0.0040957100000000 ] - [ -0.0034064900000000, 0.0018651600000000, -0.0059584500000000 ] - [ 0.0001287700000000, 0.0018358200000000, 0.0017841500000000 ] - [ -0.0003686200000000, 0.0009563900000000, 0.0005632600000000 ] - [ 0.0000065600000000, -0.0008688300000000, -0.0004518500000000 ] - [ -0.0002872800000000, -0.0007406900000000, -0.0005366100000000 ] - [ 0.0007320000000000, -0.0004723700000000, 0.0031562500000000 ] - [ -0.0005685300000000, 0.0002060200000000, 0.0016303100000000 ] - [ -0.0000115700000000, -0.0018459500000000, -0.0014499700000000 ] - [ 0.0000809700000000, -0.0014878600000000, -0.0011233900000000 ] - [ 0.0000780100000000, 0.0007714500000000, 0.0003391600000000 ] - [ 0.0002528600000000, 0.0006027800000000, 0.0001346500000000 ] - [ 0.0001521500000000, -0.0011103100000000, 0.0000976400000000 ] - [ -0.0000046400000000, -0.0011234400000000, 0.0000215700000000 ] - [ 0.0018361400000000, 0.0190643800000000, -0.0066299400000000 ] - [ -0.0040669400000000, 0.0071348600000000, 0.0020469000000000 ] - [ 0.0005927300000000, -0.0054341900000000, -0.0005497600000000 ] - [ -0.0004658400000000, -0.0045120900000000, 0.0002025500000000 ] - [ -0.0000456800000000, -0.0003177300000000, -0.0002545100000000 ] - [ -0.0002236100000000, -0.0000902300000000, 0.0000073300000000 ] - [ -0.0001639800000000, -0.0003668000000000, 0.0004250200000000 ] - [ 0.0000060200000000, -0.0005354700000000, 0.0003242200000000 ] - [ -0.0026489000000000, 0.0035022600000000, 0.0032365600000000 ] - [ 0.0026621700000000, 0.0093190900000000, -0.0002154400000000 ] - [ -0.0007130700000000, -0.0028342500000000, -0.0002842200000000 ] - [ 0.0004181600000000, -0.0033107800000000, -0.0003950200000000 ] - [ -0.0055932800000000, -0.0041308600000000, -0.0046664300000000 ] - [ 0.0060581200000000, -0.0019442500000000, -0.0087344200000000 ] - [ 0.0014594900000000, -0.0027711000000000, 0.0018589200000000 ] - [ -0.0028436800000000, -0.0065458400000000, 0.0097438800000000 ] - [ 0.0003409200000000, 0.0016090000000000, -0.0004751700000000 ] - [ 0.0010970500000000, 0.0015777600000000, -0.0016687700000000 ] - [ 0.0000350900000000, -0.0019997400000000, 0.0004819000000000 ] - [ -0.0000167900000000, -0.0025103700000000, 0.0011462900000000 ] - [ -0.0000100000000000, 0.0013541000000000, -0.0001634100000000 ] - [ 0.0000963200000000, 0.0011132400000000, -0.0009120200000000 ] - [ -0.0004323000000000, -0.0003535000000000, 0.0013367800000000 ] - [ 0.0008378700000000, -0.0008947000000000, 0.0008120400000000 ] - [ 0.0145638500000000, 0.0263647000000000, 0.0064742000000000 ] - [ 0.0005695700000000, 0.0064766400000000, -0.0041401900000000 ] - [ 0.0046217300000000, -0.0093675500000000, 0.0030953500000000 ] - [ -0.0062313700000000, -0.0073754500000000, -0.0029070700000000 ] - [ -0.0699231000000000, -0.1315941600000000, -0.0000579200000000 ] - [ 0.0009110400000000, -0.0018244400000000, 0.0012472800000000 ] - [ 0.0013561200000000, 0.0051943800000000, 0.0005420400000000 ] - [ 0.0027741500000000, 0.0036690200000000, 0.0006988000000000 ] - [ 0.0003948700000000, -0.0006391700000000, 0.0001438700000000 ] - [ 0.0004943700000000, -0.0005319800000000, 0.0003759500000000 ] - [ 0.0002736800000000, 0.0001145000000000, 0.0005477600000000 ] - [ 0.0003413100000000, 0.0000819200000000, 0.0006203300000000 ] - [ -0.0002102000000000, 0.0000436300000000, 0.0006060000000000 ] - [ -0.0001618000000000, -0.0001588200000000, 0.0002985400000000 ] - [ 0.0001189900000000, 0.0003778100000000, -0.0005094300000000 ] - [ 0.0000832000000000, 0.0002992100000000, -0.0001892600000000 ] - [ -0.0023462700000000, -0.0016873200000000, 0.0125332400000000 ] - [ 0.0015429400000000, -0.0020732700000000, 0.0003501200000000 ] - [ -0.0015826200000000, 0.0025447600000000, -0.0006308300000000 ] - [ 0.0007467800000000, 0.0012030100000000, -0.0008351700000000 ] - [ -0.0005780100000000, -0.0000915500000000, -0.0025317200000000 ] - [ 0.0004150400000000, -0.0002319800000000, -0.0006706900000000 ] - [ 0.0004319100000000, 0.0002157600000000, 0.0010494900000000 ] - [ 0.0009409200000000, 0.0000937300000000, 0.0010866900000000 ] - [ -0.0011843600000000, -0.0001857500000000, -0.0044213100000000 ] - [ 0.0001353400000000, -0.0003209800000000, -0.0010654600000000 ] - [ 0.0011142300000000, 0.0017349700000000, 0.0011263800000000 ] - [ 0.0022403000000000, 0.0020788100000000, 0.0008326500000000 ] - [ -0.0008148200000000, -0.0013219800000000, 0.0000554800000000 ] - [ 0.0000103300000000, -0.0008323900000000, -0.0009107300000000 ] - [ -0.0002387000000000, 0.0006538800000000, -0.0001139100000000 ] - [ 0.0000786700000000, 0.0006240400000000, -0.0002329300000000 ] - [ -0.0008314600000000, -0.0015399800000000, 0.0062110100000000 ] - [ 0.0013881900000000, -0.0019879600000000, 0.0004955300000000 ] - [ -0.0013865700000000, 0.0026840700000000, -0.0013316200000000 ] - [ -0.0008527800000000, 0.0014375100000000, -0.0005928700000000 ] - [ -0.0050969900000000, -0.0003541600000000, -0.0100677200000000 ] - [ 0.0010069100000000, -0.0004736300000000, -0.0001303400000000 ] - [ 0.0003599700000000, 0.0016940100000000, 0.0017521900000000 ] - [ 0.0023007700000000, 0.0017870100000000, 0.0014258300000000 ] - [ 0.0005707000000000, -0.0009815200000000, -0.0001111700000000 ] - [ 0.0003553700000000, -0.0006035700000000, -0.0001214100000000 ] - [ -0.0003391400000000, 0.0008234000000000, 0.0000589800000000 ] - [ -0.0001637500000000, 0.0006269300000000, 0.0001608900000000 ] - [ -0.0091572200000000, 0.0196043200000000, 0.0032748300000000 ] - [ 0.0013768000000000, 0.0000444500000000, 0.0002398800000000 ] - [ -0.0001865700000000, 0.0198824500000000, -0.0017234600000000 ] - [ 0.0003545000000000, 0.0000316700000000, 0.0008579000000000 ] - [ -0.0005455900000000, -0.0004707800000000, 0.0006701100000000 ] - [ -0.0004975100000000, -0.0004609600000000, 0.0005128500000000 ] - [ -0.0003039800000000, 0.0000256100000000, 0.0002722500000000 ] - [ -0.0001728100000000, -0.0000451900000000, 0.0002005700000000 ] - [ -0.0066883900000000, 0.0007474100000000, -0.0026162700000000 ] - [ 0.0100124000000000, 0.0007693400000000, -0.0084266000000000 ] - [ 0.0000974700000000, 0.0019592200000000, 0.0005724600000000 ] - [ -0.0016061200000000, 0.0019597500000000, 0.0004821900000000 ] - [ 0.0005603200000000, 0.0002614800000000, -0.0008850900000000 ] - [ 0.0003090700000000, 0.0002110900000000, -0.0006077000000000 ] - [ 0.0004015400000000, 0.0002087000000000, -0.0005708600000000 ] - [ 0.0004621000000000, 0.0002598300000000, -0.0005237800000000 ] - [ 0.0005022600000000, -0.0011894000000000, -0.0018426400000000 ] - [ 0.0001795300000000, -0.0008273300000000, -0.0002340000000000 ] - [ -0.0008081400000000, 0.0012268300000000, 0.0004622100000000 ] - [ -0.0004200400000000, 0.0009939500000000, 0.0007380300000000 ] - [ -0.0016713200000000, 0.0010151400000000, -0.0020232000000000 ] - [ -0.0006272000000000, -0.0013628300000000, -0.0012151900000000 ] - [ 0.0001521000000000, 0.0009453600000000, 0.0000886600000000 ] - [ 0.0004043300000000, 0.0010855200000000, 0.0001136400000000 ] - [ 0.0002046500000000, -0.0002760900000000, 0.0002423600000000 ] - [ -0.0000613400000000, -0.0001227400000000, 0.0007245300000000 ] - [ 0.0004616200000000, 0.0004343500000000, -0.0000348800000000 ] - [ 0.0005709000000000, 0.0004457300000000, -0.0002539400000000 ] - [ 0.0075586000000000, -0.0081970100000000, -0.0036561100000000 ] - [ 0.0020943700000000, -0.0081979200000000, 0.0022651600000000 ] - [ -0.0011830000000000, 0.0038427000000000, 0.0005946900000000 ] - [ -0.0013644300000000, 0.0038328900000000, -0.0003762700000000 ] - [ -0.0005402300000000, -0.0002083200000000, -0.0008438000000000 ] - [ -0.0003341900000000, -0.0001925500000000, -0.0002954100000000 ] - [ -0.0002822200000000, 0.0003991800000000, 0.0004859800000000 ] - [ -0.0003374100000000, 0.0004271800000000, 0.0004081000000000 ] - [ 0.0114923300000000, 0.0208392700000000, -0.0107938300000000 ] - [ -0.0016696800000000, -0.0005343600000000, -0.0005989200000000 ] - [ -0.0018096100000000, -0.0001849000000000, 0.0011756800000000 ] - [ 0.0136028900000000, 0.0134498400000000, 0.0086701400000000 ] - [ 0.0000652200000000, -0.0000080500000000, 0.0017187100000000 ] - [ -0.0009175900000000, -0.0001815600000000, 0.0016844100000000 ] - [ -0.0001397000000000, 0.0006906800000000, -0.0007691700000000 ] - [ 0.0012368200000000, 0.0006682700000000, -0.0024964200000000 ] - [ -0.0008499900000000, -0.0014758000000000, 0.0000646400000000 ] - [ -0.0001768600000000, -0.0014940300000000, 0.0009026800000000 ] - [ 0.0018057700000000, 0.0019344700000000, -0.0017254600000000 ] - [ 0.0003038300000000, 0.0007018900000000, -0.0003269100000000 ] - [ 0.0181887700000000, 0.0051332400000000, 0.0144037000000000 ] - [ -0.0030014100000000, -0.0026170700000000, 0.0000004500000000 ] - [ -0.0008273900000000, 0.0019386200000000, -0.0013896800000000 ] - [ 0.0019134700000000, 0.0030023800000000, -0.0010719300000000 ] - [ -0.0002082200000000, -0.0003790800000000, -0.0007595800000000 ] - [ -0.0001434400000000, -0.0002715000000000, -0.0004729700000000 ] - [ -0.0006854300000000, 0.0007987000000000, -0.0007103600000000 ] - [ -0.0007034800000000, 0.0007631100000000, -0.0006253800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0146833100000000, -0.0340838500000000, 0.0049826200000000 ] - [ 0.0013295500000000, -0.0038797100000000, -0.0011840200000000 ] - [ -0.0064572800000000, 0.0101157400000000, 0.0036690100000000 ] - [ 0.0038168500000000, 0.0076271100000000, -0.0016296600000000 ] - [ -0.0017359400000000, 0.0038715500000000, -0.0086578300000000 ] - [ 0.0005042500000000, 0.0007192300000000, -0.0014302200000000 ] - [ -0.0038009700000000, 0.0025078300000000, 0.0040951100000000 ] - [ 0.0033958700000000, -0.0006405200000000, 0.0059446900000000 ] - [ -0.0003822300000000, -0.0012753400000000, -0.0016388900000000 ] - [ 0.0001111500000000, -0.0003921000000000, -0.0004088400000000 ] - [ -0.0002611400000000, 0.0014453200000000, 0.0006070500000000 ] - [ 0.0000308000000000, 0.0013146500000000, 0.0006912200000000 ] - [ -0.0007059400000000, -0.0006862600000000, -0.0031925500000000 ] - [ 0.0005622300000000, -0.0014026800000000, -0.0016327500000000 ] - [ 0.0000102400000000, 0.0006166100000000, 0.0014524100000000 ] - [ -0.0000829800000000, 0.0002669000000000, 0.0011292200000000 ] - [ 0.0001814900000000, -0.0013468900000000, -0.0005361300000000 ] - [ 0.0000022100000000, -0.0011727700000000, -0.0003203200000000 ] - [ 0.0001050300000000, 0.0005415000000000, -0.0002750400000000 ] - [ 0.0002597100000000, 0.0005526800000000, -0.0001987600000000 ] - [ -0.0021305200000000, -0.0196834000000000, 0.0067802400000000 ] - [ 0.0038101900000000, -0.0076906400000000, -0.0018617800000000 ] - [ -0.0008411100000000, 0.0048716200000000, 0.0007534700000000 ] - [ 0.0002014500000000, 0.0039449900000000, -0.0000091400000000 ] - [ -0.0002097900000000, -0.0002615800000000, 0.0000695700000000 ] - [ -0.0000326300000000, -0.0004903800000000, -0.0001925900000000 ] - [ -0.0000883900000000, -0.0001979400000000, -0.0006066500000000 ] - [ -0.0002685900000000, -0.0000248600000000, -0.0005065000000000 ] - [ 0.0026580100000000, -0.0023030900000000, -0.0032369400000000 ] - [ -0.0026907500000000, -0.0081450200000000, 0.0002202600000000 ] - [ 0.0007183100000000, 0.0040579800000000, 0.0002708500000000 ] - [ -0.0004225400000000, 0.0045291300000000, 0.0003738800000000 ] - [ 0.0058570800000000, 0.0035455200000000, 0.0048679600000000 ] - [ -0.0058144300000000, 0.0012767700000000, 0.0090015800000000 ] - [ -0.0012253300000000, 0.0022554900000000, -0.0016867400000000 ] - [ 0.0030967300000000, 0.0060058600000000, -0.0095033000000000 ] - [ -0.0003915000000000, -0.0028745800000000, 0.0004465800000000 ] - [ -0.0010586600000000, -0.0027920100000000, 0.0016209000000000 ] - [ -0.0000375800000000, 0.0008009800000000, -0.0004828500000000 ] - [ 0.0000199900000000, 0.0013075500000000, -0.0011381600000000 ] - [ 0.0002651400000000, -0.0007824100000000, 0.0003206200000000 ] - [ 0.0001597500000000, -0.0005443700000000, 0.0010669700000000 ] - [ 0.0006919300000000, 0.0009215300000000, -0.0011885200000000 ] - [ -0.0005870600000000, 0.0014661600000000, -0.0006616100000000 ] - [ -0.0133542800000000, -0.0249781400000000, -0.0057299300000000 ] - [ -0.0008602100000000, -0.0059017900000000, 0.0040328800000000 ] - [ -0.0049255900000000, 0.0099862200000000, -0.0032851500000000 ] - [ 0.0060227600000000, 0.0079754900000000, 0.0027717100000000 ] - [ 0.0710030300000000, 0.1336851300000000, -0.0014155400000000 ] - [ -0.0000944200000000, 0.0023019000000000, -0.0001919600000000 ] - [ -0.0005519100000000, -0.0047272400000000, 0.0005080800000000 ] - [ -0.0019684600000000, -0.0032020100000000, 0.0003525300000000 ] - [ 0.0004199800000000, 0.0001696800000000, 0.0009292500000000 ] - [ 0.0003209000000000, 0.0000606800000000, 0.0006940100000000 ] - [ 0.0005420400000000, -0.0005892900000000, 0.0005209900000000 ] - [ 0.0004762500000000, -0.0005569200000000, 0.0004490300000000 ] - [ -0.0000271300000000, 0.0000458100000000, -0.0003538200000000 ] - [ -0.0000684200000000, 0.0002514900000000, -0.0000498800000000 ] - [ -0.0003699800000000, -0.0003120000000000, 0.0007586400000000 ] - [ -0.0003212000000000, -0.0002249000000000, 0.0004326500000000 ] - [ 0.0020874400000000, 0.0015562200000000, -0.0122866300000000 ] - [ -0.0017754200000000, 0.0019934200000000, -0.0001201500000000 ] - [ 0.0013530100000000, -0.0026333300000000, 0.0008809700000000 ] - [ -0.0009921400000000, -0.0012820900000000, 0.0010829300000000 ] - [ 0.0012147500000000, -0.0001215900000000, 0.0022162200000000 ] - [ 0.0002160000000000, 0.0000193800000000, 0.0003414000000000 ] - [ 0.0001997700000000, -0.0004331500000000, -0.0013826800000000 ] - [ -0.0003078100000000, -0.0003113600000000, -0.0014175700000000 ] - [ 0.0017805500000000, 0.0003528200000000, 0.0040770900000000 ] - [ 0.0005052000000000, 0.0005334400000000, 0.0007269200000000 ] - [ -0.0004842200000000, -0.0015093100000000, -0.0014799900000000 ] - [ -0.0016123500000000, -0.0018598300000000, -0.0011784900000000 ] - [ 0.0001843100000000, 0.0011098800000000, -0.0003842800000000 ] - [ -0.0006403700000000, 0.0006179500000000, 0.0005756500000000 ] - [ -0.0003944400000000, -0.0008706300000000, -0.0002135000000000 ] - [ -0.0007125100000000, -0.0008403600000000, -0.0000956300000000 ] - [ 0.0001449600000000, 0.0018431100000000, -0.0064783000000000 ] - [ -0.0020144400000000, 0.0022128400000000, -0.0008470900000000 ] - [ 0.0007569600000000, -0.0024733600000000, 0.0009839900000000 ] - [ 0.0002334200000000, -0.0012357300000000, 0.0002543900000000 ] - [ 0.0053753300000000, 0.0002842000000000, 0.0103891200000000 ] - [ -0.0007732000000000, 0.0004040400000000, 0.0003665400000000 ] - [ -0.0001250400000000, -0.0017793200000000, -0.0015010100000000 ] - [ -0.0020613500000000, -0.0018689700000000, -0.0011840500000000 ] - [ -0.0003379300000000, 0.0010592700000000, 0.0003676900000000 ] - [ -0.0001062000000000, 0.0006769500000000, 0.0003714800000000 ] - [ 0.0005766100000000, -0.0007440000000000, 0.0001822500000000 ] - [ 0.0004039000000000, -0.0005482200000000, 0.0000822200000000 ] - [ 0.0084569400000000, -0.0194251200000000, -0.0022681300000000 ] - [ -0.0022016100000000, 0.0004425000000000, 0.0008113200000000 ] - [ -0.0006023800000000, -0.0191469900000000, 0.0027505600000000 ] - [ -0.0011507100000000, 0.0004296300000000, 0.0001897600000000 ] - [ -0.0002725900000000, -0.0000047200000000, 0.0004010100000000 ] - [ -0.0003175800000000, -0.0000135400000000, 0.0005566700000000 ] - [ -0.0005106500000000, -0.0004964900000000, 0.0007980800000000 ] - [ -0.0006420400000000, -0.0004250600000000, 0.0008702300000000 ] - [ 0.0075603800000000, -0.0012915500000000, 0.0015263600000000 ] - [ -0.0091441700000000, -0.0012693600000000, 0.0073065200000000 ] - [ 0.0007148000000000, -0.0024289700000000, -0.0016528600000000 ] - [ 0.0024325500000000, -0.0024284700000000, -0.0015684700000000 ] - [ 0.0002511100000000, 0.0002141800000000, -0.0001681300000000 ] - [ 0.0005043500000000, 0.0002654100000000, -0.0004463500000000 ] - [ 0.0004099800000000, 0.0002630000000000, -0.0004841800000000 ] - [ 0.0003490400000000, 0.0002125100000000, -0.0005316400000000 ] - [ -0.0007460000000000, 0.0011227400000000, 0.0016150700000000 ] - [ -0.0004126600000000, 0.0007520800000000, 0.0000003200000000 ] - [ 0.0005738200000000, -0.0013100700000000, -0.0006974200000000 ] - [ 0.0001879400000000, -0.0010750300000000, -0.0009693200000000 ] - [ 0.0015574000000000, -0.0009504300000000, 0.0019912100000000 ] - [ 0.0003781800000000, 0.0014332700000000, 0.0009699800000000 ] - [ -0.0003940900000000, -0.0008671000000000, -0.0003388300000000 ] - [ -0.0006437900000000, -0.0010059600000000, -0.0003620000000000 ] - [ 0.0004257600000000, 0.0004990200000000, 0.0001081800000000 ] - [ 0.0006872700000000, 0.0003432200000000, -0.0003747900000000 ] - [ 0.0001679600000000, -0.0002215700000000, 0.0003740000000000 ] - [ 0.0000582300000000, -0.0002320700000000, 0.0005911500000000 ] - [ -0.0069166400000000, 0.0080648200000000, 0.0039657900000000 ] - [ -0.0015001400000000, 0.0079570300000000, -0.0019637900000000 ] - [ 0.0018071100000000, -0.0040681000000000, -0.0002539000000000 ] - [ 0.0020058000000000, -0.0040637600000000, 0.0007199300000000 ] - [ -0.0000858600000000, 0.0004172800000000, 0.0012000200000000 ] - [ -0.0002949400000000, 0.0004056100000000, 0.0006362000000000 ] - [ -0.0003493300000000, -0.0001805800000000, -0.0001477000000000 ] - [ -0.0002933100000000, -0.0002087000000000, -0.0000696300000000 ] - [ -0.0122337700000000, -0.0213002600000000, 0.0112219900000000 ] - [ 0.0010551600000000, 0.0003315200000000, 0.0009388500000000 ] - [ 0.0011691300000000, -0.0000470100000000, -0.0008409400000000 ] - [ -0.0141990500000000, -0.0135807000000000, -0.0083187000000000 ] - [ 0.0001753900000000, 0.0001009000000000, -0.0019693900000000 ] - [ 0.0011510500000000, 0.0002748000000000, -0.0019345100000000 ] - [ 0.0003854400000000, -0.0006297100000000, 0.0005271800000000 ] - [ -0.0009929800000000, -0.0005946700000000, 0.0022449700000000 ] - [ 0.0010857800000000, 0.0013982400000000, -0.0003020300000000 ] - [ 0.0004134800000000, 0.0014182200000000, -0.0011384800000000 ] - [ -0.0015797200000000, -0.0020201800000000, 0.0015018800000000 ] - [ -0.0000656200000000, -0.0007779000000000, 0.0000937100000000 ] - [ -0.0191764700000000, -0.0055566700000000, -0.0156319300000000 ] - [ 0.0021760100000000, 0.0021608300000000, -0.0010717700000000 ] - [ -0.0000019000000000, -0.0024227400000000, 0.0003100500000000 ] - [ -0.0027227000000000, -0.0034765300000000, -0.0000034100000000 ] - [ -0.0006043800000000, 0.0008552100000000, -0.0002924500000000 ] - [ -0.0006682600000000, 0.0007457000000000, -0.0005815300000000 ] - [ -0.0001265900000000, -0.0003261800000000, -0.0003453500000000 ] - [ -0.0001075900000000, -0.0002901700000000, -0.0004307100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0042323100000000, -0.0138497500000000, 0.0255114100000000 ] - [ -0.0035925400000000, 0.0031769600000000, 0.0071174300000000 ] - [ 0.0009488800000000, -0.0009404200000000, 0.0042014800000000 ] - [ -0.0020577900000000, -0.0026629100000000, 0.0053189400000000 ] - [ -0.0000165000000000, 0.0042271600000000, -0.0052361900000000 ] - [ -0.0001976400000000, 0.0019298900000000, -0.0006026800000000 ] - [ 0.0062128100000000, -0.0061775100000000, -0.0045902400000000 ] - [ -0.0030210200000000, -0.0004605200000000, -0.0034816400000000 ] - [ 0.0006164500000000, 0.0003774700000000, -0.0044685400000000 ] - [ -0.0004538600000000, 0.0004520400000000, -0.0037728300000000 ] - [ 0.0001345300000000, -0.0004779500000000, -0.0031930800000000 ] - [ -0.0001656800000000, -0.0002913000000000, -0.0027504800000000 ] - [ 0.0018166500000000, 0.0063583700000000, -0.0080236600000000 ] - [ -0.0002317600000000, 0.0008529400000000, -0.0012956200000000 ] - [ -0.0001266900000000, -0.0032068100000000, -0.0015198300000000 ] - [ -0.0001047800000000, -0.0019648400000000, -0.0007905700000000 ] - [ 0.0006984100000000, -0.0010730000000000, -0.0058120700000000 ] - [ 0.0000861900000000, -0.0002403100000000, -0.0041848600000000 ] - [ 0.0002186500000000, -0.0004245500000000, -0.0027082300000000 ] - [ 0.0001585500000000, -0.0005172900000000, -0.0025010900000000 ] - [ 0.0132877200000000, 0.0036280500000000, 0.0374709800000000 ] - [ 0.0001825800000000, -0.0004246300000000, 0.0043364600000000 ] - [ -0.0001850900000000, -0.0002808000000000, 0.0031842300000000 ] - [ -0.0003209700000000, -0.0006274400000000, 0.0029920500000000 ] - [ -0.0000600000000000, -0.0013365400000000, -0.0037935300000000 ] - [ -0.0003415500000000, -0.0014418300000000, -0.0037644100000000 ] - [ 0.0003948100000000, -0.0000774500000000, -0.0037746600000000 ] - [ -0.0011645400000000, 0.0007409700000000, -0.0035203200000000 ] - [ 0.0026749400000000, 0.0007986800000000, -0.0038819800000000 ] - [ -0.0044877800000000, 0.0040250800000000, -0.0087711400000000 ] - [ 0.0004608000000000, 0.0006071100000000, -0.0003136300000000 ] - [ -0.0004439800000000, -0.0001287400000000, -0.0008794800000000 ] - [ -0.0035755900000000, -0.0052728500000000, 0.0024157700000000 ] - [ 0.0041311600000000, -0.0091587100000000, 0.0079974600000000 ] - [ -0.0031575700000000, 0.0050036400000000, 0.0020190900000000 ] - [ 0.0042984700000000, 0.0049788400000000, 0.0067050400000000 ] - [ -0.0069763400000000, -0.0070979900000000, -0.0053026100000000 ] - [ 0.0054254600000000, -0.0011364100000000, -0.0077423600000000 ] - [ -0.0006424800000000, 0.0006339100000000, -0.0010993200000000 ] - [ 0.0006400500000000, 0.0005712000000000, -0.0004988800000000 ] - [ 0.0001604600000000, -0.0001213200000000, -0.0039124300000000 ] - [ -0.0002853000000000, -0.0004594000000000, -0.0051115400000000 ] - [ 0.0004735100000000, 0.0001702500000000, -0.0029491300000000 ] - [ -0.0003671500000000, 0.0005816000000000, -0.0026991200000000 ] - [ 0.0097243300000000, 0.0064460900000000, 0.0232670200000000 ] - [ 0.0004901500000000, -0.0036336700000000, 0.0116567700000000 ] - [ -0.0011173800000000, 0.0016505300000000, 0.0032175200000000 ] - [ 0.0028794300000000, 0.0024633200000000, 0.0053000100000000 ] - [ -0.0456785800000000, 0.0008482800000000, -0.1350822100000000 ] - [ 0.0005611800000000, 0.0009550700000000, -0.0028621900000000 ] - [ -0.0001136900000000, 0.0002534300000000, -0.0013647200000000 ] - [ -0.0002250200000000, 0.0004083800000000, -0.0015525900000000 ] - [ 0.0007119600000000, 0.0001537100000000, 0.0027815300000000 ] - [ 0.0008914600000000, -0.0000785600000000, 0.0024366400000000 ] - [ 0.0008405100000000, -0.0002491100000000, 0.0021583500000000 ] - [ 0.0009870000000000, -0.0003211000000000, 0.0020529300000000 ] - [ -0.0003940600000000, 0.0014454900000000, 0.0024431700000000 ] - [ 0.0005731800000000, 0.0018223000000000, 0.0018919300000000 ] - [ -0.0022565700000000, -0.0017042400000000, 0.0024069300000000 ] - [ -0.0003832200000000, -0.0004006300000000, 0.0010994700000000 ] - [ 0.0000540900000000, 0.0084763600000000, 0.0176225900000000 ] - [ 0.0007249300000000, 0.0006055200000000, -0.0012242200000000 ] - [ 0.0010113500000000, -0.0011260700000000, -0.0006004600000000 ] - [ -0.0002899600000000, -0.0003887700000000, -0.0002321200000000 ] - [ 0.0009206800000000, -0.0004117800000000, 0.0020256200000000 ] - [ 0.0006088800000000, -0.0002751400000000, 0.0008491600000000 ] - [ 0.0005158000000000, 0.0007579800000000, 0.0022597800000000 ] - [ 0.0009022500000000, 0.0003519400000000, 0.0015140600000000 ] - [ -0.0041393500000000, -0.0101165200000000, 0.0059992200000000 ] - [ 0.0013674700000000, -0.0002578800000000, -0.0004925700000000 ] - [ 0.0004964600000000, 0.0015526000000000, -0.0011256200000000 ] - [ 0.0013149800000000, 0.0013676100000000, -0.0004563900000000 ] - [ -0.0010891400000000, -0.0002012600000000, 0.0030080900000000 ] - [ -0.0009627100000000, 0.0000799000000000, 0.0017058500000000 ] - [ -0.0004021100000000, 0.0000335600000000, 0.0007394100000000 ] - [ -0.0006426300000000, -0.0000460200000000, 0.0007506800000000 ] - [ -0.0091875700000000, 0.0115532900000000, 0.0135830600000000 ] - [ 0.0010540400000000, 0.0005639300000000, -0.0015927500000000 ] - [ -0.0002886700000000, -0.0009603000000000, -0.0008135600000000 ] - [ 0.0005840400000000, -0.0009914600000000, -0.0004248100000000 ] - [ 0.0006316800000000, -0.0037879900000000, 0.0050607400000000 ] - [ -0.0007170000000000, -0.0009037300000000, -0.0003690500000000 ] - [ -0.0001281800000000, 0.0014985700000000, -0.0008057200000000 ] - [ 0.0009313000000000, 0.0008871700000000, -0.0001788000000000 ] - [ -0.0002151800000000, 0.0002029500000000, 0.0032739800000000 ] - [ 0.0019101000000000, -0.0006208300000000, 0.0021144300000000 ] - [ 0.0003419200000000, 0.0002214400000000, 0.0009971700000000 ] - [ 0.0005242000000000, 0.0001712000000000, 0.0010572600000000 ] - [ 0.0028635400000000, -0.0019374300000000, -0.0062988300000000 ] - [ 0.0008835100000000, 0.0005705900000000, -0.0027100200000000 ] - [ -0.0017167400000000, 0.0029472100000000, -0.0062898100000000 ] - [ 0.0012303900000000, -0.0000467400000000, -0.0027085100000000 ] - [ -0.0012982800000000, -0.0003699300000000, 0.0029355400000000 ] - [ -0.0008235500000000, -0.0002144100000000, 0.0025008600000000 ] - [ -0.0006559100000000, 0.0000248400000000, 0.0020454300000000 ] - [ -0.0006933200000000, 0.0000962900000000, 0.0020869500000000 ] - [ 0.0118998200000000, -0.0080769300000000, -0.0070206400000000 ] - [ -0.0015843800000000, -0.0023304400000000, -0.0070409500000000 ] - [ 0.0007790200000000, 0.0007861300000000, -0.0030709900000000 ] - [ 0.0005601900000000, 0.0008722800000000, -0.0030671200000000 ] - [ -0.0002355300000000, 0.0002316200000000, 0.0013124200000000 ] - [ -0.0000728800000000, 0.0002790600000000, 0.0013205400000000 ] - [ 0.0000122400000000, 0.0003179500000000, 0.0013210100000000 ] - [ 0.0001149300000000, 0.0005955800000000, 0.0013124700000000 ] - [ -0.0000975500000000, -0.0000453000000000, 0.0018445100000000 ] - [ 0.0019913600000000, -0.0015251300000000, 0.0020849900000000 ] - [ -0.0004952200000000, 0.0012342200000000, 0.0011853700000000 ] - [ 0.0002068500000000, 0.0006354700000000, 0.0012044100000000 ] - [ 0.0144689000000000, -0.0029764100000000, 0.0261299400000000 ] - [ -0.0019806000000000, -0.0009420400000000, -0.0007137000000000 ] - [ -0.0002696000000000, 0.0001605300000000, -0.0006014600000000 ] - [ -0.0003501400000000, 0.0001835700000000, -0.0006242800000000 ] - [ 0.0000642600000000, 0.0010194100000000, 0.0027546600000000 ] - [ -0.0006660700000000, 0.0007180100000000, 0.0028606300000000 ] - [ 0.0001184300000000, -0.0001761800000000, 0.0011336400000000 ] - [ -0.0001026600000000, -0.0000673400000000, 0.0011026200000000 ] - [ -0.0103179900000000, 0.0016656600000000, 0.0033030900000000 ] - [ 0.0092121700000000, -0.0039991300000000, 0.0029202500000000 ] - [ 0.0002805100000000, -0.0005467100000000, -0.0007170200000000 ] - [ 0.0004724800000000, 0.0003524600000000, -0.0007192800000000 ] - [ 0.0006958500000000, -0.0005193700000000, 0.0041024200000000 ] - [ -0.0000542700000000, -0.0000711300000000, 0.0014446600000000 ] - [ -0.0001415100000000, 0.0005268900000000, 0.0012772300000000 ] - [ -0.0001583100000000, 0.0004877000000000, 0.0011623200000000 ] - [ -0.0072754500000000, -0.0108835200000000, 0.0067396000000000 ] - [ -0.0000081400000000, -0.0009520100000000, -0.0006904600000000 ] - [ -0.0017195000000000, 0.0009882800000000, -0.0022803300000000 ] - [ 0.0088036300000000, 0.0084788200000000, 0.0056614400000000 ] - [ 0.0004398300000000, 0.0019643600000000, -0.0001897000000000 ] - [ -0.0011976100000000, 0.0016518400000000, -0.0002194000000000 ] - [ 0.0017723700000000, -0.0024014100000000, -0.0004796800000000 ] - [ 0.0000162500000000, -0.0006464300000000, -0.0003905400000000 ] - [ -0.0013290000000000, -0.0001276900000000, 0.0020701300000000 ] - [ 0.0012715400000000, 0.0010382800000000, 0.0026063300000000 ] - [ -0.0012134200000000, -0.0009422900000000, 0.0017007700000000 ] - [ -0.0001442800000000, -0.0001836400000000, 0.0006977500000000 ] - [ 0.0114648200000000, 0.0147455500000000, -0.0088148100000000 ] - [ -0.0022589200000000, 0.0003057900000000, -0.0040504400000000 ] - [ -0.0014889500000000, -0.0010854400000000, -0.0027851600000000 ] - [ -0.0016085700000000, -0.0007745700000000, -0.0030393800000000 ] - [ 0.0000593700000000, 0.0004694300000000, 0.0018619400000000 ] - [ 0.0002878700000000, 0.0001818100000000, 0.0016325100000000 ] - [ -0.0001248800000000, 0.0004196300000000, 0.0009753000000000 ] - [ -0.0000214400000000, 0.0003338500000000, 0.0008109900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0039355100000000, 0.0135688100000000, -0.0256482800000000 ] - [ 0.0038802300000000, -0.0026193800000000, -0.0072847900000000 ] - [ -0.0007358700000000, 0.0015445400000000, -0.0043564000000000 ] - [ 0.0023373800000000, 0.0032546900000000, -0.0055064000000000 ] - [ 0.0000342300000000, -0.0030087900000000, 0.0052657100000000 ] - [ 0.0001975600000000, -0.0007198900000000, 0.0006205600000000 ] - [ -0.0062003100000000, 0.0073791400000000, 0.0046153800000000 ] - [ 0.0030342000000000, 0.0016644600000000, 0.0035247200000000 ] - [ -0.0008720800000000, 0.0001970900000000, 0.0046600200000000 ] - [ 0.0001966900000000, 0.0001200400000000, 0.0039626400000000 ] - [ -0.0003908300000000, 0.0010453500000000, 0.0033783500000000 ] - [ -0.0000903700000000, 0.0008625600000000, 0.0029386900000000 ] - [ -0.0018377000000000, -0.0076448400000000, 0.0080914200000000 ] - [ 0.0002371400000000, -0.0020771300000000, 0.0012826200000000 ] - [ 0.0001291900000000, 0.0020239400000000, 0.0015201800000000 ] - [ 0.0001054000000000, 0.0007676200000000, 0.0007810900000000 ] - [ -0.0004471500000000, 0.0005085700000000, 0.0056844900000000 ] - [ 0.0001707400000000, -0.0003322700000000, 0.0040388800000000 ] - [ 0.0000367100000000, -0.0001452400000000, 0.0025506400000000 ] - [ 0.0000974500000000, -0.0000512000000000, 0.0023431400000000 ] - [ -0.0157496700000000, -0.0039859600000000, -0.0406673600000000 ] - [ -0.0003830300000000, -0.0001690400000000, -0.0042418600000000 ] - [ -0.0000757200000000, -0.0002858100000000, -0.0030519800000000 ] - [ 0.0000703900000000, 0.0000630500000000, -0.0028514700000000 ] - [ -0.0001987800000000, 0.0007778400000000, 0.0036465100000000 ] - [ 0.0000888400000000, 0.0008841800000000, 0.0036175100000000 ] - [ -0.0006581300000000, -0.0004978100000000, 0.0036254700000000 ] - [ 0.0009203100000000, -0.0013245300000000, 0.0033697900000000 ] - [ -0.0026796800000000, 0.0004164900000000, 0.0039111000000000 ] - [ 0.0044625600000000, -0.0028203200000000, 0.0088009000000000 ] - [ -0.0004592200000000, 0.0006032900000000, 0.0003324600000000 ] - [ 0.0004429900000000, 0.0013423100000000, 0.0009011300000000 ] - [ 0.0038436200000000, 0.0047218500000000, -0.0022816700000000 ] - [ -0.0039017700000000, 0.0086263700000000, -0.0079695700000000 ] - [ 0.0034385400000000, -0.0056021500000000, -0.0018790800000000 ] - [ -0.0040953000000000, -0.0055516300000000, -0.0066680900000000 ] - [ 0.0070562300000000, 0.0059569900000000, 0.0053394200000000 ] - [ -0.0054885300000000, -0.0000744300000000, 0.0078030100000000 ] - [ 0.0006508100000000, -0.0018557800000000, 0.0010958300000000 ] - [ -0.0006482300000000, -0.0017905400000000, 0.0004855100000000 ] - [ 0.0001003900000000, 0.0006917500000000, 0.0041026400000000 ] - [ 0.0005371200000000, 0.0010320900000000, 0.0053010200000000 ] - [ -0.0002169800000000, 0.0004028900000000, 0.0031367600000000 ] - [ 0.0006229100000000, -0.0000078500000000, 0.0028856300000000 ] - [ -0.0091938400000000, -0.0051749200000000, -0.0233297900000000 ] - [ -0.0007663100000000, 0.0042241200000000, -0.0118666200000000 ] - [ 0.0008876800000000, -0.0011094500000000, -0.0033719700000000 ] - [ -0.0031525100000000, -0.0019018500000000, -0.0054902500000000 ] - [ 0.0486242700000000, -0.0005030000000000, 0.1394975500000000 ] - [ 0.0002427000000000, -0.0004841400000000, 0.0039319100000000 ] - [ 0.0009348900000000, 0.0002192200000000, 0.0024400300000000 ] - [ 0.0010411200000000, 0.0000621700000000, 0.0026275500000000 ] - [ 0.0001015800000000, -0.0006315900000000, -0.0017314800000000 ] - [ -0.0000800700000000, -0.0003965300000000, -0.0013846100000000 ] - [ -0.0000292200000000, -0.0002222500000000, -0.0011041000000000 ] - [ -0.0001776200000000, -0.0001497300000000, -0.0009989700000000 ] - [ 0.0001577600000000, -0.0013820500000000, -0.0022195200000000 ] - [ -0.0008202600000000, -0.0017628900000000, -0.0016609200000000 ] - [ 0.0020403100000000, 0.0018017400000000, -0.0021815900000000 ] - [ 0.0001444000000000, 0.0004827100000000, -0.0008591200000000 ] - [ -0.0002583900000000, -0.0084379100000000, -0.0172108000000000 ] - [ -0.0009676100000000, -0.0006827200000000, 0.0014680300000000 ] - [ -0.0012488700000000, 0.0010490900000000, 0.0008322600000000 ] - [ 0.0000556500000000, 0.0003120700000000, 0.0004685900000000 ] - [ -0.0002930900000000, 0.0001934000000000, -0.0023705000000000 ] - [ 0.0000200200000000, 0.0000581400000000, -0.0011941200000000 ] - [ 0.0001131500000000, -0.0009712900000000, -0.0025994000000000 ] - [ -0.0002766400000000, -0.0005674800000000, -0.0018624100000000 ] - [ 0.0048427500000000, 0.0104829100000000, -0.0064085200000000 ] - [ -0.0007511600000000, 0.0004706000000000, 0.0001748800000000 ] - [ 0.0001358300000000, -0.0013504600000000, 0.0008072500000000 ] - [ -0.0006845300000000, -0.0011569400000000, 0.0001320800000000 ] - [ 0.0004621600000000, -0.0000169400000000, -0.0033554400000000 ] - [ 0.0003356500000000, -0.0002982600000000, -0.0020549300000000 ] - [ -0.0002255200000000, -0.0002489500000000, -0.0010851800000000 ] - [ 0.0000140300000000, -0.0001701600000000, -0.0010952900000000 ] - [ 0.0086945500000000, -0.0115281300000000, -0.0141146700000000 ] - [ -0.0017091200000000, -0.0003494700000000, 0.0012864600000000 ] - [ -0.0003383500000000, 0.0011775300000000, 0.0004943600000000 ] - [ -0.0012219700000000, 0.0012116000000000, 0.0000988900000000 ] - [ -0.0003921800000000, 0.0036750700000000, -0.0047821100000000 ] - [ 0.0009536800000000, 0.0008264200000000, 0.0006049400000000 ] - [ 0.0003666700000000, -0.0015751200000000, 0.0010332200000000 ] - [ -0.0007016300000000, -0.0009697300000000, 0.0004127700000000 ] - [ 0.0004607200000000, -0.0001261500000000, -0.0030559700000000 ] - [ -0.0016909100000000, 0.0007082800000000, -0.0018844100000000 ] - [ -0.0001034900000000, -0.0001449900000000, -0.0007566500000000 ] - [ -0.0002884400000000, -0.0000934500000000, -0.0008181900000000 ] - [ -0.0037046800000000, 0.0025369400000000, 0.0073725300000000 ] - [ -0.0017051100000000, -0.0000974600000000, 0.0037868300000000 ] - [ 0.0008913500000000, -0.0025956300000000, 0.0073816600000000 ] - [ -0.0020612900000000, 0.0005247200000000, 0.0037883500000000 ] - [ 0.0004914700000000, -0.0001007500000000, -0.0018859800000000 ] - [ 0.0000115500000000, -0.0002581300000000, -0.0014489200000000 ] - [ -0.0001564200000000, -0.0005009000000000, -0.0009912600000000 ] - [ -0.0001199100000000, -0.0005733000000000, -0.0010330800000000 ] - [ -0.0111353900000000, 0.0076560200000000, 0.0060802500000000 ] - [ 0.0023283700000000, 0.0018118700000000, 0.0060593500000000 ] - [ 0.0000347400000000, -0.0012644300000000, 0.0020233200000000 ] - [ 0.0002508500000000, -0.0013529400000000, 0.0020272400000000 ] - [ 0.0010511100000000, 0.0002395700000000, -0.0023845000000000 ] - [ 0.0008895800000000, 0.0001924700000000, -0.0023935600000000 ] - [ 0.0008029400000000, 0.0001566800000000, -0.0023931300000000 ] - [ 0.0007028100000000, -0.0001212800000000, -0.0023844500000000 ] - [ -0.0001443400000000, -0.0000340500000000, -0.0020974800000000 ] - [ -0.0022308200000000, 0.0014476700000000, -0.0023354800000000 ] - [ 0.0002540900000000, -0.0013092800000000, -0.0014345800000000 ] - [ -0.0004470100000000, -0.0007147800000000, -0.0014566200000000 ] - [ -0.0148915000000000, 0.0030960000000000, -0.0267577600000000 ] - [ 0.0017649900000000, 0.0010325400000000, 0.0004963700000000 ] - [ 0.0000349700000000, -0.0000837700000000, 0.0003705800000000 ] - [ 0.0001166400000000, -0.0001067000000000, 0.0003938800000000 ] - [ 0.0005664200000000, -0.0008141900000000, -0.0024379300000000 ] - [ 0.0013047200000000, -0.0005083000000000, -0.0025426100000000 ] - [ 0.0005121100000000, 0.0003959100000000, -0.0007990600000000 ] - [ 0.0007360700000000, 0.0002862600000000, -0.0007667800000000 ] - [ 0.0109388100000000, -0.0018879400000000, -0.0029891500000000 ] - [ -0.0085557100000000, 0.0037961400000000, -0.0026147200000000 ] - [ 0.0003580900000000, 0.0003307000000000, 0.0010488700000000 ] - [ 0.0001545200000000, -0.0005627700000000, 0.0010486700000000 ] - [ -0.0013356500000000, 0.0007438100000000, -0.0037990500000000 ] - [ -0.0005758000000000, 0.0002894400000000, -0.0011104700000000 ] - [ -0.0004887700000000, -0.0003150000000000, -0.0009440300000000 ] - [ -0.0004709900000000, -0.0002754600000000, -0.0008277700000000 ] - [ 0.0066954500000000, 0.0107503600000000, -0.0064016600000000 ] - [ -0.0006304700000000, 0.0007378800000000, 0.0010200100000000 ] - [ 0.0010975700000000, -0.0012035700000000, 0.0026072800000000 ] - [ -0.0095073600000000, -0.0087588300000000, -0.0053280300000000 ] - [ -0.0002074200000000, -0.0019058400000000, -0.0000377400000000 ] - [ 0.0014480700000000, -0.0015901500000000, -0.0000103500000000 ] - [ -0.0015547100000000, 0.0025043600000000, 0.0002509000000000 ] - [ 0.0002186500000000, 0.0007280600000000, 0.0001672000000000 ] - [ 0.0015661100000000, 0.0000463500000000, -0.0023190500000000 ] - [ -0.0010247400000000, -0.0011156500000000, -0.0028599500000000 ] - [ 0.0014526100000000, 0.0008635100000000, -0.0019499500000000 ] - [ 0.0003840000000000, 0.0001048800000000, -0.0009470700000000 ] - [ -0.0123077200000000, -0.0152895800000000, 0.0079057800000000 ] - [ 0.0014259100000000, -0.0007664100000000, 0.0030161800000000 ] - [ 0.0006861800000000, 0.0006142700000000, 0.0017416600000000 ] - [ 0.0007950600000000, 0.0002939300000000, 0.0019948700000000 ] - [ -0.0008771400000000, 0.0000024200000000, -0.0029387200000000 ] - [ -0.0011036100000000, 0.0002904800000000, -0.0027057600000000 ] - [ -0.0006911000000000, 0.0000546900000000, -0.0020443700000000 ] - [ -0.0007938000000000, 0.0001392800000000, -0.0018802500000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007322500000000, 0.0005165800000000, 0.0012863600000000 ] - [ -0.0006732900000000, 0.0011162000000000, 0.0001669600000000 ] - [ 0.0003770900000000, -0.0006825700000000, 0.0016580100000000 ] - [ -0.0001025800000000, -0.0000482500000000, 0.0006825700000000 ] - [ 0.0004709200000000, 0.0009203600000000, 0.0011601100000000 ] - [ -0.0006319800000000, 0.0010303000000000, 0.0016114300000000 ] - [ 0.0001040300000000, 0.0002466500000000, 0.0006205400000000 ] - [ -0.0001592100000000, 0.0002970900000000, 0.0007620200000000 ] - [ 0.0019448300000000, 0.0007139700000000, 0.0005882400000000 ] - [ -0.0045348800000000, -0.0024016000000000, 0.0029173000000000 ] - [ 0.0003334400000000, -0.0001320000000000, -0.0008690800000000 ] - [ -0.0005593200000000, 0.0005390400000000, 0.0006911100000000 ] - [ 0.0018872100000000, -0.0020845000000000, -0.0014855900000000 ] - [ -0.0028236500000000, -0.0046427400000000, 0.0006761300000000 ] - [ 0.0429645000000000, 0.0232859900000000, -0.0186192700000000 ] - [ -0.0099092400000000, 0.0043166500000000, -0.0030885000000000 ] - [ 0.0045864000000000, 0.0025473800000000, -0.0031753600000000 ] - [ -0.0078684500000000, -0.0063713800000000, 0.0030357600000000 ] - [ 0.0050693000000000, -0.0054203100000000, -0.0087915000000000 ] - [ -0.0038812400000000, 0.0040093300000000, 0.0008085600000000 ] - [ 0.0017607500000000, 0.0003788400000000, 0.0008049000000000 ] - [ -0.0033561000000000, 0.0000648800000000, -0.0037894100000000 ] - [ 0.0022113500000000, -0.0038689700000000, 0.0079181100000000 ] - [ -0.0012121900000000, 0.0004372400000000, 0.0000681800000000 ] - [ 0.0252025700000000, 0.0043169400000000, -0.0130462400000000 ] - [ -0.0101295300000000, 0.0033398600000000, -0.0064532600000000 ] - [ 0.0016258400000000, -0.0020497100000000, -0.0004557300000000 ] - [ -0.0019023700000000, -0.0021721100000000, -0.0021493900000000 ] - [ -0.0003793900000000, 0.0005850300000000, 0.0010138600000000 ] - [ 0.0005866000000000, 0.0002133800000000, 0.0011043100000000 ] - [ -0.0002321000000000, 0.0005735300000000, 0.0006904900000000 ] - [ 0.0003140600000000, 0.0009749600000000, 0.0011647900000000 ] - [ -0.0053762100000000, 0.0000411000000000, 0.0064902400000000 ] - [ 0.0077509700000000, 0.0045350200000000, -0.0039517400000000 ] - [ -0.0012471600000000, -0.0023367000000000, 0.0006449600000000 ] - [ 0.0012815600000000, -0.0020993000000000, 0.0003417900000000 ] - [ -0.0081186900000000, 0.0055390700000000, -0.0012812500000000 ] - [ 0.0171540000000000, 0.0060739500000000, -0.0072432500000000 ] - [ -0.0070967500000000, -0.0061753500000000, -0.0037408100000000 ] - [ 0.0050072900000000, -0.0027241100000000, 0.0000620200000000 ] - [ -0.0008402800000000, -0.0001523900000000, 0.0005416900000000 ] - [ 0.0011957500000000, -0.0009880500000000, 0.0008723600000000 ] - [ -0.0012480300000000, 0.0006887700000000, -0.0011918600000000 ] - [ 0.0026653500000000, 0.0044390500000000, 0.0030639900000000 ] - [ 0.0003125900000000, -0.0000474300000000, 0.0002489100000000 ] - [ -0.0006038200000000, -0.0001946100000000, 0.0005124300000000 ] - [ 0.0007058500000000, 0.0010134100000000, 0.0010654900000000 ] - [ -0.0007730600000000, 0.0000227300000000, 0.0020522300000000 ] - [ 0.0000285000000000, 0.0001447300000000, 0.0002518600000000 ] - [ 0.0010500600000000, 0.0001901300000000, 0.0012261300000000 ] - [ -0.0005857000000000, 0.0004806300000000, -0.0016127300000000 ] - [ 0.0007405100000000, 0.0004377700000000, 0.0002683800000000 ] - [ -0.0060202900000000, 0.0019638300000000, 0.0007299100000000 ] - [ 0.0040558200000000, -0.0018957300000000, 0.0013710100000000 ] - [ -0.0006772000000000, 0.0012285200000000, 0.0016597600000000 ] - [ 0.0014116700000000, -0.0011085300000000, 0.0003557400000000 ] - [ -0.1414548400000000, -0.0700783900000000, 0.0555808100000000 ] - [ 0.0041076200000000, 0.0008339100000000, -0.0002138800000000 ] - [ -0.0007424700000000, 0.0008913700000000, 0.0008239600000000 ] - [ 0.0015454700000000, 0.0021462200000000, 0.0005817100000000 ] - [ -0.0002299300000000, 0.0001680300000000, -0.0001500500000000 ] - [ 0.0000339100000000, 0.0000830200000000, -0.0002527000000000 ] - [ -0.0001201000000000, -0.0001200100000000, -0.0004307800000000 ] - [ 0.0004331500000000, -0.0002012500000000, -0.0007142100000000 ] - [ -0.0007193800000000, 0.0000139700000000, -0.0010430800000000 ] - [ 0.0015198400000000, -0.0009552500000000, -0.0007338600000000 ] - [ -0.0000991700000000, 0.0002845200000000, -0.0003338400000000 ] - [ 0.0003284900000000, -0.0000625400000000, -0.0004959100000000 ] - [ -0.0001704100000000, 0.0003799900000000, -0.0000300700000000 ] - [ 0.0020121800000000, 0.0013743400000000, 0.0006360900000000 ] - [ -0.0062418900000000, 0.0001393000000000, -0.0089024500000000 ] - [ 0.0033669300000000, -0.0001336700000000, 0.0014932300000000 ] - [ -0.0005507600000000, -0.0000373200000000, -0.0004351100000000 ] - [ 0.0008255900000000, 0.0006211900000000, -0.0010129100000000 ] - [ -0.0010033600000000, -0.0011591500000000, -0.0007511400000000 ] - [ 0.0001158700000000, 0.0000200400000000, -0.0003530400000000 ] - [ -0.0052011500000000, -0.0014287600000000, 0.0027906700000000 ] - [ 0.0027869900000000, -0.0015307900000000, -0.0008710400000000 ] - [ -0.0019413700000000, 0.0018325600000000, -0.0003568700000000 ] - [ 0.0010749700000000, 0.0006803600000000, -0.0010579600000000 ] - [ -0.0002507000000000, -0.0001338400000000, -0.0005031100000000 ] - [ 0.0002157600000000, -0.0000801500000000, -0.0002877800000000 ] - [ -0.0002394000000000, 0.0000106900000000, -0.0005771400000000 ] - [ 0.0001606000000000, 0.0001271200000000, -0.0002106900000000 ] - [ -0.0059819600000000, 0.0013273200000000, -0.0015151700000000 ] - [ 0.0037144000000000, -0.0008718200000000, 0.0018930000000000 ] - [ -0.0059579600000000, 0.0073276200000000, 0.0028844900000000 ] - [ 0.0037132100000000, -0.0019510200000000, 0.0015462600000000 ] - [ -0.0010864100000000, -0.0002160700000000, 0.0008689800000000 ] - [ 0.0009024800000000, 0.0000062900000000, -0.0012621700000000 ] - [ -0.0007123300000000, 0.0006929900000000, 0.0003081300000000 ] - [ -0.0001686300000000, 0.0005195200000000, 0.0001252800000000 ] - [ -0.0010513200000000, 0.0000014400000000, 0.0007812300000000 ] - [ 0.0020812800000000, 0.0019500400000000, -0.0002910400000000 ] - [ -0.0054559200000000, -0.0054585800000000, 0.0000300700000000 ] - [ 0.0021495900000000, 0.0006515100000000, 0.0013613100000000 ] - [ 0.0004006100000000, 0.0000646100000000, -0.0008592500000000 ] - [ 0.0000098800000000, 0.0004531700000000, -0.0001579000000000 ] - [ 0.0014978300000000, -0.0005334900000000, -0.0026364900000000 ] - [ 0.0001485900000000, -0.0008583600000000, -0.0005545900000000 ] - [ 0.0001547500000000, -0.0002625900000000, 0.0013355500000000 ] - [ 0.0088499300000000, -0.0013725000000000, -0.0151906200000000 ] - [ 0.0008141200000000, 0.0007603900000000, -0.0002990700000000 ] - [ 0.0001762700000000, 0.0005088200000000, -0.0003789200000000 ] - [ -0.0003093600000000, -0.0001959900000000, -0.0004824600000000 ] - [ -0.0003133800000000, 0.0002665900000000, -0.0015269900000000 ] - [ -0.0001645500000000, 0.0000700800000000, -0.0001655500000000 ] - [ -0.0001655400000000, -0.0000795800000000, -0.0004097600000000 ] - [ -0.0007350000000000, -0.0013843600000000, -0.0003704000000000 ] - [ 0.0105553800000000, 0.0067966500000000, 0.0062465700000000 ] - [ 0.0105154100000000, 0.0190700200000000, -0.0085366100000000 ] - [ -0.0007476400000000, -0.0016145500000000, 0.0006451900000000 ] - [ 0.0045076600000000, -0.0035547000000000, 0.0033101000000000 ] - [ 0.0206511200000000, 0.0185048900000000, -0.0105856200000000 ] - [ 0.0010405900000000, 0.0023414400000000, 0.0016712700000000 ] - [ -0.0007412200000000, -0.0002418000000000, 0.0012527000000000 ] - [ 0.0005387200000000, -0.0001441100000000, -0.0003528900000000 ] - [ 0.0003816800000000, -0.0000211100000000, -0.0001695300000000 ] - [ 0.0004913800000000, 0.0000081900000000, -0.0004675800000000 ] - [ 0.0003559700000000, -0.0000876200000000, -0.0003409600000000 ] - [ -0.0006344500000000, 0.0003912600000000, 0.0006905400000000 ] - [ -0.0004801700000000, 0.0021773100000000, 0.0004360400000000 ] - [ 0.0102797100000000, 0.0069918700000000, 0.0120833600000000 ] - [ 0.0097292200000000, -0.0082894500000000, -0.0002367100000000 ] - [ -0.0006552200000000, -0.0002760700000000, -0.0005632300000000 ] - [ -0.0005398800000000, -0.0003342800000000, -0.0003809700000000 ] - [ -0.0002359100000000, 0.0002613800000000, -0.0002750100000000 ] - [ -0.0003372700000000, 0.0000921100000000, -0.0001500800000000 ] - [ 0.0124801200000000, -0.0065533600000000, -0.0085050900000000 ] - [ 0.0114687800000000, -0.0040183800000000, 0.0146306300000000 ] - [ -0.0001132500000000, 0.0017716000000000, -0.0000001900000000 ] - [ -0.0007726500000000, 0.0015347000000000, 0.0001080700000000 ] - [ 0.0004399700000000, 0.0001289200000000, -0.0005028700000000 ] - [ 0.0001869600000000, 0.0001725000000000, -0.0005567400000000 ] - [ 0.0000540900000000, -0.0002294800000000, -0.0001362000000000 ] - [ 0.0003432100000000, -0.0004581100000000, -0.0011951200000000 ] - [ -0.0012233600000000, -0.0011995500000000, -0.0019756900000000 ] - [ -0.0006776100000000, -0.0005293000000000, 0.0006167600000000 ] - [ 0.0001845900000000, 0.0014525200000000, -0.0018621900000000 ] - [ -0.0004503800000000, -0.0000537200000000, -0.0007948500000000 ] - [ -0.0007245600000000, 0.0002892100000000, -0.0002050100000000 ] - [ -0.0005184300000000, 0.0012703500000000, -0.0018598200000000 ] - [ -0.0001448800000000, 0.0004988800000000, 0.0011304900000000 ] - [ 0.0001309400000000, -0.0008762600000000, -0.0006352200000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004812700000000, 0.0000489800000000, -0.0014575100000000 ] - [ 0.0009353500000000, -0.0005525800000000, -0.0003376500000000 ] - [ -0.0001226300000000, 0.0012587800000000, -0.0018319000000000 ] - [ 0.0003605400000000, 0.0006215300000000, -0.0008537300000000 ] - [ -0.0004734500000000, 0.0002862900000000, -0.0011671200000000 ] - [ 0.0006368300000000, 0.0001791900000000, -0.0016160300000000 ] - [ -0.0001052200000000, 0.0009660800000000, -0.0006214900000000 ] - [ 0.0001602700000000, 0.0009149400000000, -0.0007619200000000 ] - [ -0.0022257400000000, -0.0001515800000000, -0.0004485200000000 ] - [ 0.0042979400000000, 0.0029887100000000, -0.0027431100000000 ] - [ -0.0005933900000000, 0.0007023900000000, 0.0010405500000000 ] - [ 0.0003079600000000, 0.0000313000000000, -0.0005192700000000 ] - [ -0.0019178900000000, 0.0009020500000000, 0.0015056000000000 ] - [ 0.0028429500000000, 0.0034443200000000, -0.0006964600000000 ] - [ -0.0444869300000000, -0.0264676500000000, 0.0200456000000000 ] - [ 0.0099491300000000, -0.0055350800000000, 0.0030740400000000 ] - [ -0.0043847700000000, -0.0030864100000000, 0.0029841600000000 ] - [ 0.0081059500000000, 0.0057724500000000, -0.0031846000000000 ] - [ -0.0048711900000000, 0.0048654900000000, 0.0086386300000000 ] - [ 0.0041470600000000, -0.0045685500000000, -0.0009644500000000 ] - [ -0.0020519500000000, -0.0009358700000000, -0.0006217600000000 ] - [ 0.0031215100000000, -0.0006452800000000, 0.0039736000000000 ] - [ -0.0024890900000000, 0.0033129500000000, -0.0077814700000000 ] - [ 0.0009678600000000, -0.0010044400000000, 0.0000965400000000 ] - [ -0.0251030300000000, -0.0050648200000000, 0.0116030000000000 ] - [ 0.0098895100000000, -0.0039389300000000, 0.0063163100000000 ] - [ -0.0018713400000000, 0.0014857200000000, 0.0002842300000000 ] - [ 0.0016395700000000, 0.0016082100000000, 0.0019811200000000 ] - [ 0.0003771200000000, 0.0006271900000000, -0.0010159100000000 ] - [ -0.0005844900000000, 0.0009983500000000, -0.0011096700000000 ] - [ 0.0002323500000000, 0.0006375300000000, -0.0006922400000000 ] - [ -0.0003141900000000, 0.0002331800000000, -0.0011690800000000 ] - [ 0.0056566200000000, -0.0006158200000000, -0.0063736300000000 ] - [ -0.0074818700000000, -0.0051490500000000, 0.0041534300000000 ] - [ 0.0015045800000000, 0.0017793200000000, -0.0004793200000000 ] - [ -0.0010248600000000, 0.0015406000000000, -0.0001708000000000 ] - [ 0.0081336000000000, -0.0067953300000000, 0.0012951000000000 ] - [ -0.0168039300000000, -0.0064209000000000, 0.0076627500000000 ] - [ 0.0071210800000000, 0.0050030400000000, 0.0037527000000000 ] - [ -0.0049948600000000, 0.0015058600000000, -0.0000495600000000 ] - [ 0.0010885600000000, 0.0007281000000000, -0.0003678000000000 ] - [ -0.0009303400000000, 0.0015618900000000, -0.0007058800000000 ] - [ 0.0015019000000000, -0.0001197900000000, 0.0013700200000000 ] - [ -0.0024057900000000, -0.0038905300000000, -0.0029150700000000 ] - [ -0.0005664200000000, 0.0006212400000000, -0.0004145000000000 ] - [ 0.0003479700000000, 0.0007662900000000, -0.0006804300000000 ] - [ -0.0009633900000000, -0.0004458500000000, -0.0012387200000000 ] - [ 0.0005186400000000, 0.0005501200000000, -0.0022328300000000 ] - [ 0.0007876200000000, 0.0003280600000000, 0.0008037800000000 ] - [ -0.0002383800000000, 0.0002837900000000, -0.0001671300000000 ] - [ 0.0014046100000000, -0.0000080600000000, 0.0026841100000000 ] - [ 0.0000717100000000, 0.0000336700000000, 0.0007961000000000 ] - [ 0.0068461600000000, -0.0024698100000000, 0.0004176300000000 ] - [ -0.0032472100000000, 0.0014225600000000, -0.0003214200000000 ] - [ 0.0014954700000000, -0.0017070500000000, -0.0006003100000000 ] - [ -0.0005958300000000, 0.0006303300000000, 0.0007014500000000 ] - [ 0.1418116000000000, 0.0714885300000000, -0.0558844700000000 ] - [ -0.0043536100000000, -0.0007555600000000, 0.0004549100000000 ] - [ 0.0005025100000000, -0.0008186300000000, -0.0005829000000000 ] - [ -0.0017900500000000, -0.0020792400000000, -0.0003415100000000 ] - [ -0.0000065900000000, -0.0002478200000000, 0.0003904000000000 ] - [ -0.0002706000000000, -0.0001623400000000, 0.0004934000000000 ] - [ -0.0001176400000000, 0.0000428000000000, 0.0006739600000000 ] - [ -0.0006724400000000, 0.0001236100000000, 0.0009584700000000 ] - [ 0.0013531200000000, -0.0002271500000000, 0.0007135800000000 ] - [ -0.0008910400000000, 0.0007407400000000, 0.0003964400000000 ] - [ 0.0007308200000000, -0.0005014500000000, -0.0000021600000000 ] - [ 0.0003026900000000, -0.0001536900000000, 0.0001587700000000 ] - [ 0.0008022800000000, -0.0001717100000000, -0.0003107100000000 ] - [ -0.0013897400000000, -0.0011644000000000, -0.0009735500000000 ] - [ 0.0069433800000000, 0.0001044700000000, 0.0085906600000000 ] - [ -0.0027463600000000, 0.0003443500000000, -0.0018271500000000 ] - [ -0.0000832700000000, -0.0001833000000000, 0.0001058800000000 ] - [ -0.0014559900000000, -0.0008387900000000, 0.0006755100000000 ] - [ 0.0003753100000000, 0.0009488500000000, 0.0004178600000000 ] - [ -0.0007466500000000, -0.0002355000000000, 0.0000162400000000 ] - [ 0.0045682000000000, 0.0016228400000000, -0.0031959600000000 ] - [ -0.0034321400000000, 0.0017588200000000, 0.0005401700000000 ] - [ 0.0013182300000000, -0.0016245500000000, 0.0000173100000000 ] - [ -0.0017122300000000, -0.0004706900000000, 0.0007284500000000 ] - [ 0.0004896900000000, 0.0000560400000000, 0.0007461600000000 ] - [ 0.0000221300000000, 0.0000023200000000, 0.0005305100000000 ] - [ 0.0004786900000000, -0.0000890100000000, 0.0008200000000000 ] - [ 0.0000770500000000, -0.0002059600000000, 0.0004517300000000 ] - [ 0.0062307100000000, -0.0013401300000000, 0.0017581000000000 ] - [ -0.0034832600000000, 0.0009593600000000, -0.0016496900000000 ] - [ 0.0062549400000000, -0.0071977000000000, -0.0026664100000000 ] - [ -0.0034844500000000, 0.0020311300000000, -0.0013080800000000 ] - [ 0.0002742900000000, 0.0006926200000000, 0.0001933000000000 ] - [ -0.0017238700000000, 0.0004677500000000, 0.0023390100000000 ] - [ -0.0000995300000000, -0.0002226100000000, 0.0007537200000000 ] - [ -0.0006445200000000, -0.0000480000000000, 0.0009380900000000 ] - [ 0.0002327700000000, -0.0004833300000000, 0.0002865500000000 ] - [ -0.0028799200000000, -0.0024119200000000, 0.0013421400000000 ] - [ 0.0046464900000000, 0.0050135500000000, 0.0010542100000000 ] - [ -0.0029670600000000, -0.0011284300000000, -0.0003090900000000 ] - [ 0.0004184900000000, -0.0005433700000000, -0.0002053200000000 ] - [ 0.0008033500000000, -0.0009287600000000, -0.0009071700000000 ] - [ -0.0006846500000000, 0.0000586000000000, 0.0015857200000000 ] - [ 0.0006626600000000, 0.0003898000000000, -0.0005077500000000 ] - [ 0.0006712400000000, 0.0007430100000000, -0.0024098500000000 ] - [ -0.0080133100000000, 0.0018561800000000, 0.0141682700000000 ] - [ 0.0000032900000000, -0.0002874000000000, -0.0007657700000000 ] - [ 0.0006352700000000, -0.0000370300000000, -0.0006834200000000 ] - [ 0.0000777300000000, 0.0001185200000000, 0.0002504300000000 ] - [ 0.0000737500000000, -0.0003469000000000, 0.0012898200000000 ] - [ -0.0000716900000000, -0.0001487000000000, -0.0000749500000000 ] - [ -0.0000726500000000, 0.0000018300000000, 0.0001684900000000 ] - [ 0.0005138000000000, 0.0014724500000000, 0.0001318100000000 ] - [ -0.0108197300000000, -0.0067738000000000, -0.0065249100000000 ] - [ -0.0108602800000000, -0.0191378400000000, 0.0083600600000000 ] - [ 0.0005011200000000, 0.0016919800000000, -0.0008901800000000 ] - [ -0.0038955800000000, 0.0038091900000000, -0.0030055700000000 ] - [ -0.0197704400000000, -0.0180108200000000, 0.0107463300000000 ] - [ -0.0004036300000000, -0.0021356800000000, -0.0013425500000000 ] - [ 0.0013669500000000, 0.0004543200000000, -0.0009153900000000 ] - [ 0.0000927400000000, -0.0000717100000000, 0.0006902100000000 ] - [ 0.0002473000000000, -0.0001939800000000, 0.0005072900000000 ] - [ 0.0001397000000000, -0.0002249200000000, 0.0008061700000000 ] - [ 0.0002745700000000, -0.0001278000000000, 0.0006794400000000 ] - [ 0.0000178900000000, -0.0001851700000000, -0.0003529700000000 ] - [ -0.0001578100000000, -0.0019536000000000, -0.0000944700000000 ] - [ -0.0110036000000000, -0.0068614600000000, -0.0118675500000000 ] - [ -0.0102986400000000, 0.0084507100000000, 0.0005366600000000 ] - [ 0.0000279300000000, 0.0000623700000000, 0.0009036000000000 ] - [ -0.0000905300000000, 0.0001194600000000, 0.0007191300000000 ] - [ -0.0003947600000000, -0.0004786900000000, 0.0006121800000000 ] - [ -0.0002941800000000, -0.0003093900000000, 0.0004861400000000 ] - [ -0.0123505500000000, 0.0066753700000000, 0.0083433900000000 ] - [ -0.0111460200000000, 0.0040931500000000, -0.0147230700000000 ] - [ 0.0003620700000000, -0.0017099400000000, -0.0002444200000000 ] - [ 0.0010085500000000, -0.0014585800000000, -0.0003486500000000 ] - [ -0.0002010300000000, -0.0002082600000000, 0.0002616900000000 ] - [ 0.0000490300000000, -0.0002520600000000, 0.0003168200000000 ] - [ 0.0001859700000000, 0.0001528400000000, -0.0001057100000000 ] - [ -0.0001089500000000, 0.0003829300000000, 0.0009619500000000 ] - [ 0.0004212100000000, 0.0007363500000000, 0.0009193600000000 ] - [ -0.0001394700000000, 0.0000611000000000, -0.0016795800000000 ] - [ -0.0009996900000000, -0.0019326700000000, 0.0008036900000000 ] - [ -0.0003652900000000, -0.0004229900000000, -0.0002666500000000 ] - [ -0.0000775000000000, 0.0001791800000000, -0.0008523000000000 ] - [ -0.0003020300000000, -0.0007981700000000, 0.0007858500000000 ] - [ -0.0006652900000000, -0.0000262100000000, -0.0021964500000000 ] - [ -0.0009521700000000, 0.0013535800000000, -0.0004328700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004992700000000, 0.0015170000000000, -0.0005706800000000 ] - [ -0.0002738600000000, 0.0016623800000000, -0.0010811400000000 ] - [ 0.0002700700000000, -0.0010447500000000, 0.0006894100000000 ] - [ 0.0000953400000000, -0.0006297800000000, -0.0000094900000000 ] - [ -0.0000624500000000, 0.0014367300000000, -0.0001603400000000 ] - [ 0.0001044700000000, 0.0013814100000000, -0.0004655800000000 ] - [ 0.0000545000000000, -0.0002110200000000, -0.0000423700000000 ] - [ -0.0000535100000000, -0.0000567500000000, -0.0001058000000000 ] - [ 0.0012563800000000, 0.0026754300000000, 0.0025274700000000 ] - [ 0.0003618300000000, 0.0025957000000000, 0.0006262100000000 ] - [ -0.0002461600000000, -0.0017257300000000, -0.0012040100000000 ] - [ -0.0001451800000000, -0.0011403000000000, -0.0004307000000000 ] - [ 0.0048290400000000, -0.0091754300000000, -0.0033380000000000 ] - [ -0.0038293200000000, -0.0080238300000000, 0.0030478500000000 ] - [ 0.0338876600000000, 0.0413290700000000, -0.0178791600000000 ] - [ -0.0007141100000000, 0.0043143500000000, 0.0031139800000000 ] - [ 0.0069658100000000, -0.0035357900000000, 0.0094752200000000 ] - [ -0.0051425000000000, -0.0037678300000000, 0.0043224800000000 ] - [ -0.0020876000000000, -0.0068693100000000, -0.0095405900000000 ] - [ 0.0011203500000000, -0.0023330300000000, -0.0017130500000000 ] - [ 0.0040764400000000, -0.0021847600000000, -0.0033831000000000 ] - [ -0.0044761200000000, 0.0013173600000000, -0.0073392200000000 ] - [ 0.0003882500000000, -0.0039245900000000, 0.0072531700000000 ] - [ -0.0003076000000000, -0.0005280400000000, 0.0016292800000000 ] - [ -0.0026079700000000, 0.0187731300000000, 0.0114337000000000 ] - [ -0.0041218500000000, 0.0075443000000000, -0.0022558000000000 ] - [ 0.0003972400000000, -0.0055432400000000, 0.0005451400000000 ] - [ -0.0004980700000000, -0.0043481700000000, -0.0002012300000000 ] - [ 0.0001464200000000, 0.0007914600000000, 0.0000575800000000 ] - [ -0.0001375900000000, 0.0010476300000000, 0.0001147700000000 ] - [ -0.0001325800000000, 0.0002660200000000, -0.0002433800000000 ] - [ 0.0000741600000000, 0.0001709500000000, -0.0004769900000000 ] - [ -0.0025374300000000, 0.0021548300000000, 0.0034408400000000 ] - [ 0.0028181500000000, 0.0092670800000000, -0.0015076400000000 ] - [ -0.0008812900000000, -0.0035016800000000, -0.0002695600000000 ] - [ 0.0007252700000000, -0.0043584600000000, -0.0000458900000000 ] - [ -0.0010449300000000, 0.0045495200000000, -0.0024395900000000 ] - [ -0.0029673900000000, 0.0216560800000000, -0.0044680400000000 ] - [ -0.0049685000000000, -0.0068021700000000, -0.0010771100000000 ] - [ 0.0068926900000000, -0.0093976300000000, 0.0038927800000000 ] - [ 0.0003397400000000, -0.0006979400000000, 0.0011738200000000 ] - [ 0.0000168400000000, -0.0008971500000000, 0.0015022600000000 ] - [ -0.0004074900000000, 0.0010727900000000, -0.0014615000000000 ] - [ 0.0005440600000000, 0.0000192500000000, -0.0031085000000000 ] - [ -0.0000811000000000, -0.0004761500000000, -0.0013059100000000 ] - [ -0.0004645900000000, -0.0004259600000000, -0.0009072300000000 ] - [ 0.0004468600000000, 0.0011535400000000, 0.0003038000000000 ] - [ -0.0005298900000000, 0.0005775200000000, 0.0009449900000000 ] - [ 0.0003057300000000, 0.0002343000000000, 0.0019499800000000 ] - [ 0.0012752700000000, 0.0000299700000000, 0.0023321100000000 ] - [ -0.0002680800000000, 0.0005824700000000, -0.0012191900000000 ] - [ 0.0005304400000000, 0.0004995700000000, 0.0000910800000000 ] - [ -0.0003725500000000, -0.0019082200000000, -0.0078974800000000 ] - [ 0.0020699200000000, -0.0022753300000000, -0.0001191300000000 ] - [ -0.0006751900000000, 0.0023560800000000, 0.0016139200000000 ] - [ -0.0001025400000000, 0.0010122200000000, 0.0008802800000000 ] - [ -0.0705468000000000, -0.1301319200000000, 0.0082457300000000 ] - [ 0.0006728200000000, -0.0017577200000000, -0.0001399600000000 ] - [ 0.0007408900000000, 0.0047640800000000, 0.0001489700000000 ] - [ 0.0020005600000000, 0.0029250100000000, -0.0003147000000000 ] - [ -0.0003274700000000, 0.0001413200000000, 0.0004713800000000 ] - [ -0.0002421500000000, 0.0001216600000000, 0.0003600500000000 ] - [ -0.0000384800000000, -0.0002357300000000, 0.0000722900000000 ] - [ 0.0000417300000000, -0.0001173900000000, -0.0000564400000000 ] - [ 0.0009087900000000, -0.0011696000000000, 0.0000453200000000 ] - [ 0.0005610100000000, -0.0007090400000000, 0.0001144300000000 ] - [ -0.0000954900000000, 0.0007198100000000, -0.0001826900000000 ] - [ 0.0000225700000000, 0.0004842000000000, -0.0001959200000000 ] - [ 0.0002761900000000, 0.0017967300000000, 0.0009704700000000 ] - [ 0.0027920600000000, 0.0022793200000000, 0.0009649900000000 ] - [ -0.0035388800000000, -0.0001487600000000, -0.0106581800000000 ] - [ 0.0010907100000000, -0.0003837200000000, -0.0004941000000000 ] - [ -0.0001978300000000, -0.0000799900000000, -0.0007724300000000 ] - [ -0.0004482300000000, -0.0003082300000000, -0.0003135500000000 ] - [ -0.0003014000000000, 0.0002864300000000, 0.0004244900000000 ] - [ -0.0001832000000000, 0.0001554500000000, 0.0000838500000000 ] - [ -0.0025307600000000, -0.0005069500000000, 0.0120732700000000 ] - [ 0.0017523100000000, -0.0019653100000000, -0.0000481800000000 ] - [ -0.0014537400000000, 0.0025098500000000, -0.0015541800000000 ] - [ 0.0002428300000000, 0.0013506500000000, -0.0011453300000000 ] - [ 0.0000247900000000, -0.0003810800000000, 0.0001923800000000 ] - [ 0.0000777900000000, -0.0004499900000000, 0.0003857300000000 ] - [ 0.0001703000000000, 0.0003321200000000, 0.0000201100000000 ] - [ 0.0002863200000000, 0.0002899200000000, 0.0001676400000000 ] - [ -0.0072017800000000, 0.0199426300000000, -0.0023027600000000 ] - [ 0.0021134600000000, -0.0002947800000000, 0.0003991700000000 ] - [ -0.0012235800000000, 0.0196448600000000, 0.0016351800000000 ] - [ 0.0010261400000000, -0.0002826800000000, -0.0000049900000000 ] - [ -0.0006319800000000, -0.0007847600000000, 0.0006977500000000 ] - [ 0.0003241700000000, -0.0004047000000000, -0.0001317500000000 ] - [ -0.0008108100000000, 0.0010209900000000, 0.0007189300000000 ] - [ -0.0005089300000000, 0.0008249300000000, 0.0006674700000000 ] - [ 0.0004692800000000, 0.0014956700000000, -0.0010164000000000 ] - [ 0.0013248900000000, 0.0015892300000000, -0.0004012200000000 ] - [ -0.0019067200000000, -0.0005337800000000, 0.0042616600000000 ] - [ -0.0003976500000000, -0.0006741000000000, 0.0013953900000000 ] - [ -0.0004035300000000, 0.0007979100000000, 0.0001478300000000 ] - [ -0.0003381800000000, 0.0010333900000000, 0.0007493000000000 ] - [ 0.0015680400000000, -0.0010265200000000, -0.0020150400000000 ] - [ 0.0005251900000000, -0.0013935300000000, -0.0005346600000000 ] - [ -0.0001267600000000, -0.0011585700000000, 0.0004553900000000 ] - [ -0.0016020300000000, 0.0012204200000000, 0.0026002700000000 ] - [ 0.0009134600000000, 0.0012822800000000, -0.0006797700000000 ] - [ 0.0006685400000000, 0.0011431500000000, -0.0006581200000000 ] - [ -0.0004221200000000, -0.0005105100000000, -0.0008697100000000 ] - [ 0.0000394100000000, -0.0005131600000000, -0.0000763200000000 ] - [ -0.0000782100000000, 0.0003573200000000, 0.0002194600000000 ] - [ -0.0002287700000000, 0.0003580600000000, 0.0000252700000000 ] - [ -0.0017791100000000, -0.0005647700000000, 0.0004222600000000 ] - [ 0.0190953500000000, 0.0145802000000000, 0.0118144000000000 ] - [ 0.0066721700000000, 0.0144643600000000, -0.0060644700000000 ] - [ -0.0015422400000000, -0.0005499700000000, -0.0013121000000000 ] - [ -0.0034215800000000, -0.0021498000000000, -0.0004328900000000 ] - [ 0.0182175700000000, 0.0043606700000000, -0.0124324800000000 ] - [ 0.0023878000000000, 0.0032717000000000, 0.0007522700000000 ] - [ -0.0001366700000000, 0.0021137100000000, 0.0011642100000000 ] - [ 0.0003398900000000, -0.0002291700000000, 0.0002820000000000 ] - [ 0.0003488800000000, -0.0002309500000000, 0.0003852300000000 ] - [ 0.0003302100000000, 0.0000077500000000, 0.0000393200000000 ] - [ 0.0001722500000000, -0.0000081400000000, 0.0003047200000000 ] - [ -0.0022835700000000, 0.0023290600000000, -0.0005268200000000 ] - [ -0.0004148300000000, 0.0022421900000000, -0.0008437800000000 ] - [ 0.0091775300000000, 0.0016689600000000, 0.0087889500000000 ] - [ -0.0057144500000000, 0.0005864700000000, 0.0017116700000000 ] - [ -0.0005661400000000, -0.0006250200000000, 0.0000905500000000 ] - [ -0.0005038700000000, -0.0006186000000000, 0.0003339400000000 ] - [ -0.0000130500000000, 0.0004566300000000, 0.0002013200000000 ] - [ -0.0000758300000000, 0.0003448000000000, 0.0003509400000000 ] - [ 0.0067292200000000, -0.0099078000000000, -0.0041623000000000 ] - [ 0.0041401200000000, -0.0085509800000000, 0.0027183400000000 ] - [ -0.0016327800000000, 0.0034936400000000, 0.0005004600000000 ] - [ -0.0013784100000000, 0.0034617000000000, -0.0004414000000000 ] - [ 0.0002865900000000, 0.0001743800000000, -0.0004423800000000 ] - [ 0.0003303800000000, 0.0001131000000000, -0.0005010200000000 ] - [ -0.0000722700000000, -0.0002121200000000, 0.0003645800000000 ] - [ -0.0003041200000000, 0.0000036100000000, 0.0008171300000000 ] - [ -0.0015132500000000, -0.0016767300000000, -0.0006144500000000 ] - [ -0.0005736700000000, -0.0016993200000000, 0.0005490200000000 ] - [ 0.0005685200000000, 0.0017430100000000, -0.0014313500000000 ] - [ -0.0001575600000000, 0.0005061100000000, -0.0006726300000000 ] - [ -0.0014581000000000, 0.0001742600000000, -0.0024726900000000 ] - [ -0.0003052300000000, 0.0000011400000000, -0.0021570300000000 ] - [ 0.0005340600000000, 0.0008994300000000, 0.0019181200000000 ] - [ -0.0006873400000000, 0.0008764900000000, 0.0001558800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002430100000000, -0.0009409900000000, 0.0003863300000000 ] - [ 0.0005302300000000, -0.0010844400000000, 0.0008962800000000 ] - [ -0.0000131600000000, 0.0016115400000000, -0.0008700400000000 ] - [ 0.0001610400000000, 0.0011952200000000, -0.0001704400000000 ] - [ 0.0000590200000000, -0.0002293100000000, 0.0001418400000000 ] - [ -0.0000984900000000, -0.0001725800000000, 0.0004443500000000 ] - [ -0.0000549000000000, 0.0014222600000000, 0.0000345900000000 ] - [ 0.0000540700000000, 0.0012672700000000, 0.0000966100000000 ] - [ -0.0015463200000000, -0.0020989400000000, -0.0024071100000000 ] - [ -0.0005715900000000, -0.0019772400000000, -0.0004792400000000 ] - [ -0.0000139200000000, 0.0022875000000000, 0.0013785000000000 ] - [ -0.0001086900000000, 0.0016978700000000, 0.0005976900000000 ] - [ -0.0047676300000000, 0.0079073000000000, 0.0033030100000000 ] - [ 0.0037919700000000, 0.0067729600000000, -0.0030095500000000 ] - [ -0.0358446400000000, -0.0437110700000000, 0.0191817100000000 ] - [ 0.0007557700000000, -0.0055450200000000, -0.0030794700000000 ] - [ -0.0066709300000000, 0.0030494600000000, -0.0095177400000000 ] - [ 0.0053912700000000, 0.0032148000000000, -0.0044588200000000 ] - [ 0.0023424600000000, 0.0062660600000000, 0.0094254300000000 ] - [ -0.0008484800000000, 0.0017188600000000, 0.0015484200000000 ] - [ -0.0043217300000000, 0.0016182000000000, 0.0035294500000000 ] - [ 0.0041872000000000, -0.0018646700000000, 0.0074434700000000 ] - [ -0.0006364600000000, 0.0033502600000000, -0.0070913700000000 ] - [ 0.0000482500000000, -0.0000528500000000, -0.0014605400000000 ] - [ 0.0023937900000000, -0.0191851900000000, -0.0116530600000000 ] - [ 0.0038584700000000, -0.0081281700000000, 0.0020982900000000 ] - [ -0.0006616200000000, 0.0049574400000000, -0.0006770400000000 ] - [ 0.0002489000000000, 0.0037710700000000, 0.0000557200000000 ] - [ -0.0001471800000000, 0.0004256400000000, -0.0000721200000000 ] - [ 0.0001353700000000, 0.0001727000000000, -0.0001340000000000 ] - [ 0.0001328900000000, 0.0009392700000000, 0.0002348200000000 ] - [ -0.0000757400000000, 0.0010310500000000, 0.0004628400000000 ] - [ 0.0028035300000000, -0.0027140100000000, -0.0032796900000000 ] - [ -0.0025866200000000, -0.0098264400000000, 0.0017013200000000 ] - [ 0.0011353300000000, 0.0029208300000000, 0.0004216600000000 ] - [ -0.0004698100000000, 0.0037730500000000, 0.0001942900000000 ] - [ 0.0010415900000000, -0.0057392600000000, 0.0024747400000000 ] - [ 0.0040766000000000, -0.0212584800000000, 0.0054495000000000 ] - [ 0.0049806900000000, 0.0055709100000000, 0.0010854200000000 ] - [ -0.0069321600000000, 0.0081760000000000, -0.0039023100000000 ] - [ -0.0000833300000000, 0.0012777000000000, -0.0010006300000000 ] - [ 0.0002384700000000, 0.0014836900000000, -0.0013269300000000 ] - [ 0.0006679000000000, -0.0005155000000000, 0.0016269300000000 ] - [ -0.0003089000000000, 0.0004970300000000, 0.0032366300000000 ] - [ -0.0001735400000000, 0.0010487700000000, 0.0011171000000000 ] - [ 0.0002062600000000, 0.0009964100000000, 0.0007231800000000 ] - [ -0.0007041700000000, -0.0005837000000000, -0.0004847500000000 ] - [ 0.0002746700000000, -0.0000080500000000, -0.0011244100000000 ] - [ 0.0005086200000000, 0.0002364100000000, -0.0008776500000000 ] - [ -0.0004555300000000, 0.0004402300000000, -0.0012531700000000 ] - [ 0.0010836200000000, -0.0001073700000000, 0.0022866200000000 ] - [ 0.0002846000000000, -0.0000245500000000, 0.0009743300000000 ] - [ 0.0012362100000000, 0.0013352800000000, 0.0090152700000000 ] - [ -0.0012580500000000, 0.0017913200000000, 0.0011691500000000 ] - [ 0.0014858300000000, -0.0028220400000000, -0.0005611200000000 ] - [ 0.0009076400000000, -0.0014730000000000, 0.0001795000000000 ] - [ 0.0710315500000000, 0.1294455400000000, -0.0104162600000000 ] - [ -0.0009166500000000, 0.0018270100000000, 0.0003744500000000 ] - [ -0.0009693900000000, -0.0046700300000000, 0.0000819700000000 ] - [ -0.0022250800000000, -0.0028358100000000, 0.0005441500000000 ] - [ 0.0000886100000000, -0.0002229500000000, -0.0002222200000000 ] - [ 0.0000034200000000, -0.0002022800000000, -0.0001120900000000 ] - [ -0.0002011400000000, 0.0001587900000000, 0.0001752100000000 ] - [ -0.0002829700000000, 0.0000413500000000, 0.0003033800000000 ] - [ -0.0002678800000000, 0.0009546800000000, -0.0003669500000000 ] - [ 0.0000619200000000, 0.0004976000000000, -0.0004422700000000 ] - [ 0.0007268900000000, -0.0009355300000000, -0.0001530400000000 ] - [ 0.0006081300000000, -0.0006989200000000, -0.0001378200000000 ] - [ 0.0003525200000000, -0.0015794500000000, -0.0012920800000000 ] - [ -0.0021410800000000, -0.0020509500000000, -0.0012917900000000 ] - [ 0.0041852000000000, 0.0003754900000000, 0.0103540600000000 ] - [ -0.0004678700000000, 0.0006034900000000, 0.0001448700000000 ] - [ -0.0004386500000000, -0.0001470400000000, 0.0004477800000000 ] - [ -0.0001940000000000, 0.0000812500000000, -0.0000150400000000 ] - [ -0.0003223000000000, -0.0004877900000000, -0.0007527200000000 ] - [ -0.0004480300000000, -0.0003665300000000, -0.0004167200000000 ] - [ 0.0018809200000000, 0.0006797400000000, -0.0123397800000000 ] - [ -0.0023786900000000, 0.0021704900000000, -0.0002922900000000 ] - [ 0.0008213700000000, -0.0022899400000000, 0.0012243600000000 ] - [ -0.0008759100000000, -0.0011270800000000, 0.0008089500000000 ] - [ 0.0002147300000000, 0.0003007300000000, 0.0000566900000000 ] - [ 0.0001602800000000, 0.0003684100000000, -0.0001365400000000 ] - [ 0.0000706000000000, -0.0004082700000000, 0.0002268900000000 ] - [ -0.0000467600000000, -0.0003670200000000, 0.0000780800000000 ] - [ 0.0073252500000000, -0.0194945800000000, 0.0024950200000000 ] - [ -0.0018685000000000, 0.0003634600000000, -0.0001724100000000 ] - [ 0.0014442600000000, -0.0197913300000000, -0.0014116800000000 ] - [ -0.0008047400000000, 0.0003754600000000, 0.0002348300000000 ] - [ -0.0001807800000000, 0.0012560200000000, 0.0003686400000000 ] - [ -0.0011380900000000, 0.0008757600000000, 0.0011972700000000 ] - [ -0.0000060100000000, -0.0005464200000000, 0.0003523800000000 ] - [ -0.0003070200000000, -0.0003502300000000, 0.0004027100000000 ] - [ -0.0012823900000000, -0.0019777300000000, 0.0020574800000000 ] - [ -0.0021368900000000, -0.0020668100000000, 0.0014557600000000 ] - [ 0.0011200200000000, 0.0001043200000000, -0.0032008300000000 ] - [ -0.0004215300000000, 0.0002034400000000, -0.0003346600000000 ] - [ 0.0012144400000000, -0.0012711400000000, -0.0012025400000000 ] - [ 0.0011462300000000, -0.0015036300000000, -0.0017943900000000 ] - [ -0.0007580200000000, 0.0005527300000000, 0.0009576700000000 ] - [ 0.0002897800000000, 0.0009184300000000, -0.0005235300000000 ] - [ 0.0009504400000000, 0.0016374800000000, -0.0015190900000000 ] - [ 0.0023236000000000, -0.0007452300000000, -0.0034719300000000 ] - [ -0.0000983700000000, -0.0008092500000000, -0.0003894300000000 ] - [ 0.0001488100000000, -0.0006693500000000, -0.0004137400000000 ] - [ 0.0001915200000000, 0.0004301800000000, 0.0006426600000000 ] - [ -0.0002749200000000, 0.0004275500000000, -0.0001463300000000 ] - [ -0.0001594500000000, -0.0004338700000000, -0.0004588500000000 ] - [ -0.0000097900000000, -0.0004331500000000, -0.0002635400000000 ] - [ 0.0015274600000000, 0.0006324400000000, -0.0006588400000000 ] - [ -0.0191135300000000, -0.0142987700000000, -0.0119318100000000 ] - [ -0.0068984500000000, -0.0144130300000000, 0.0058057500000000 ] - [ 0.0013146000000000, 0.0006471200000000, 0.0010683800000000 ] - [ 0.0040662400000000, 0.0023390700000000, 0.0007618800000000 ] - [ -0.0174384100000000, -0.0042193400000000, 0.0126380900000000 ] - [ -0.0017584900000000, -0.0030500100000000, -0.0004265100000000 ] - [ 0.0007798000000000, -0.0018864500000000, -0.0008413500000000 ] - [ 0.0002897800000000, 0.0000103900000000, 0.0000619300000000 ] - [ 0.0002801500000000, 0.0000112600000000, -0.0000398800000000 ] - [ 0.0002979800000000, -0.0002219300000000, 0.0003021200000000 ] - [ 0.0004560300000000, -0.0002061200000000, 0.0000385800000000 ] - [ 0.0016372900000000, -0.0021158100000000, 0.0008401200000000 ] - [ -0.0002129300000000, -0.0020284900000000, 0.0011614900000000 ] - [ -0.0098513600000000, -0.0014296300000000, -0.0085023900000000 ] - [ 0.0050451000000000, -0.0003210200000000, -0.0014071000000000 ] - [ -0.0000626700000000, 0.0004074800000000, 0.0002541500000000 ] - [ -0.0001255500000000, 0.0004010300000000, 0.0000108900000000 ] - [ -0.0006156800000000, -0.0006717400000000, 0.0001405000000000 ] - [ -0.0005527700000000, -0.0005596000000000, -0.0000084300000000 ] - [ -0.0065000000000000, 0.0100632400000000, 0.0039223400000000 ] - [ -0.0039709800000000, 0.0085824300000000, -0.0030255200000000 ] - [ 0.0018492400000000, -0.0033956900000000, -0.0007300600000000 ] - [ 0.0016152900000000, -0.0033744700000000, 0.0002032700000000 ] - [ -0.0000506100000000, -0.0002555300000000, 0.0002041300000000 ] - [ -0.0000941700000000, -0.0001951400000000, 0.0002618000000000 ] - [ 0.0003101200000000, 0.0001374200000000, -0.0006008600000000 ] - [ 0.0005369700000000, -0.0000757200000000, -0.0010423400000000 ] - [ 0.0006971300000000, 0.0011972900000000, -0.0004404700000000 ] - [ -0.0002405300000000, 0.0012129300000000, -0.0016050300000000 ] - [ -0.0013791700000000, -0.0022116700000000, 0.0003743400000000 ] - [ -0.0006510500000000, -0.0009737700000000, -0.0003842000000000 ] - [ 0.0006472700000000, 0.0002832400000000, 0.0013975500000000 ] - [ -0.0005102100000000, 0.0004574300000000, 0.0010850300000000 ] - [ -0.0013516400000000, -0.0004209800000000, -0.0029874900000000 ] - [ -0.0001354500000000, -0.0003864500000000, -0.0012185800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007864500000000, 0.0003329500000000, -0.0047621300000000 ] - [ -0.0001096700000000, 0.0004949100000000, -0.0044470700000000 ] - [ 0.0000572600000000, 0.0010070300000000, -0.0033560700000000 ] - [ 0.0002550200000000, 0.0004532200000000, -0.0024550900000000 ] - [ -0.0004690400000000, 0.0000107600000000, -0.0044817100000000 ] - [ 0.0010554400000000, 0.0004571000000000, -0.0045598100000000 ] - [ -0.0000670000000000, 0.0008458200000000, -0.0024919300000000 ] - [ 0.0002237500000000, 0.0007920700000000, -0.0024665000000000 ] - [ -0.0057511900000000, 0.0004070700000000, -0.0085748100000000 ] - [ 0.0067649200000000, 0.0062317600000000, -0.0045248100000000 ] - [ -0.0009673800000000, -0.0008156100000000, -0.0004017800000000 ] - [ 0.0005607500000000, -0.0009896800000000, -0.0009906900000000 ] - [ 0.0000970700000000, -0.0016333000000000, 0.0035313400000000 ] - [ -0.0013129700000000, -0.0025808100000000, 0.0047174200000000 ] - [ -0.0224815200000000, -0.0162622600000000, 0.0275191100000000 ] - [ -0.0012766800000000, 0.0033959700000000, 0.0113850100000000 ] - [ -0.0046150300000000, 0.0095741000000000, 0.0077267700000000 ] - [ 0.0042362200000000, 0.0046984600000000, 0.0018093900000000 ] - [ -0.0045306100000000, -0.0044850900000000, 0.0069040000000000 ] - [ 0.0034446500000000, -0.0047987700000000, 0.0019635500000000 ] - [ 0.0043415800000000, -0.0057117500000000, -0.0033010500000000 ] - [ -0.0022467600000000, -0.0017140800000000, -0.0029215400000000 ] - [ 0.0002616400000000, 0.0051116900000000, -0.0060923000000000 ] - [ -0.0004175400000000, 0.0010258000000000, -0.0003573200000000 ] - [ -0.0171832700000000, 0.0002012000000000, 0.0366333200000000 ] - [ 0.0001472700000000, -0.0011012600000000, 0.0044086200000000 ] - [ -0.0001322200000000, 0.0000387600000000, 0.0028454100000000 ] - [ 0.0000776500000000, 0.0003960900000000, 0.0028192700000000 ] - [ -0.0002127600000000, 0.0013254200000000, -0.0035627000000000 ] - [ -0.0003438900000000, 0.0015843600000000, -0.0043564200000000 ] - [ 0.0000179000000000, 0.0002345600000000, -0.0025189200000000 ] - [ -0.0002707100000000, -0.0003902800000000, -0.0035790500000000 ] - [ 0.0032157000000000, 0.0001664000000000, -0.0044147500000000 ] - [ -0.0047328000000000, 0.0014505600000000, -0.0096732800000000 ] - [ 0.0006762700000000, -0.0000950000000000, -0.0002589100000000 ] - [ -0.0004102300000000, -0.0006919600000000, -0.0006032400000000 ] - [ 0.0031196100000000, -0.0035939500000000, 0.0068528000000000 ] - [ -0.0036432200000000, 0.0076967200000000, 0.0237605500000000 ] - [ 0.0036716300000000, 0.0022293100000000, 0.0053316400000000 ] - [ -0.0014808600000000, 0.0003641100000000, 0.0039760200000000 ] - [ -0.0000412600000000, 0.0017858400000000, -0.0007968200000000 ] - [ 0.0002248000000000, 0.0027577000000000, -0.0012162000000000 ] - [ 0.0004172800000000, -0.0012947900000000, -0.0008851600000000 ] - [ -0.0014727800000000, -0.0079730700000000, -0.0084286600000000 ] - [ -0.0005706800000000, -0.0001244000000000, -0.0033510800000000 ] - [ -0.0000488200000000, 0.0001719600000000, -0.0029937300000000 ] - [ -0.0007920300000000, 0.0011173900000000, -0.0045421500000000 ] - [ 0.0002469700000000, 0.0008539200000000, -0.0037970900000000 ] - [ 0.0006658700000000, 0.0007177700000000, 0.0028609200000000 ] - [ 0.0011290100000000, 0.0004115900000000, 0.0023013100000000 ] - [ 0.0010009200000000, -0.0003974100000000, 0.0028196700000000 ] - [ 0.0004795600000000, -0.0000741600000000, 0.0015060600000000 ] - [ 0.0096344300000000, -0.0125399300000000, 0.0178176800000000 ] - [ -0.0012383600000000, -0.0004703500000000, -0.0008013500000000 ] - [ 0.0004995300000000, 0.0005174500000000, -0.0001782500000000 ] - [ -0.0004168000000000, 0.0007195400000000, 0.0001850800000000 ] - [ 0.0545886800000000, 0.0096586700000000, -0.1368629300000000 ] - [ -0.0004484000000000, -0.0002157700000000, -0.0030019900000000 ] - [ 0.0005815400000000, 0.0000724900000000, -0.0016456300000000 ] - [ 0.0003401800000000, -0.0003904500000000, -0.0018170900000000 ] - [ -0.0003884000000000, -0.0003837500000000, 0.0018271000000000 ] - [ -0.0004909700000000, -0.0002740000000000, 0.0016617600000000 ] - [ -0.0006695500000000, 0.0000116600000000, 0.0021765400000000 ] - [ -0.0009519900000000, 0.0001394300000000, 0.0019014100000000 ] - [ 0.0019986000000000, 0.0001723000000000, 0.0029245600000000 ] - [ -0.0007036800000000, 0.0007481300000000, 0.0015784400000000 ] - [ 0.0007788700000000, -0.0002436200000000, 0.0007090600000000 ] - [ 0.0005652200000000, -0.0001014900000000, 0.0007391100000000 ] - [ 0.0001405900000000, 0.0014585000000000, -0.0010164200000000 ] - [ 0.0009254300000000, 0.0010318500000000, -0.0006064700000000 ] - [ 0.0006578600000000, -0.0050535400000000, 0.0094700800000000 ] - [ -0.0006276700000000, -0.0006652400000000, -0.0010406100000000 ] - [ -0.0012563000000000, -0.0014453400000000, 0.0023497300000000 ] - [ -0.0019873400000000, -0.0013987900000000, 0.0015674000000000 ] - [ 0.0005238400000000, 0.0020891800000000, 0.0018821800000000 ] - [ -0.0006173500000000, 0.0003986700000000, 0.0008149100000000 ] - [ 0.0001135400000000, 0.0075013200000000, 0.0108524100000000 ] - [ -0.0001857700000000, 0.0009616100000000, -0.0006813900000000 ] - [ 0.0009163000000000, -0.0011547400000000, -0.0009487100000000 ] - [ -0.0006922600000000, -0.0002451100000000, -0.0003594600000000 ] - [ 0.0007417200000000, -0.0001067900000000, 0.0023859800000000 ] - [ 0.0005273700000000, -0.0002992500000000, 0.0021804400000000 ] - [ 0.0008148900000000, 0.0000632900000000, 0.0017342000000000 ] - [ 0.0004491300000000, -0.0000838100000000, 0.0013301000000000 ] - [ -0.0026432400000000, 0.0015031800000000, -0.0065677400000000 ] - [ -0.0013051200000000, -0.0000822500000000, -0.0029724200000000 ] - [ 0.0017590000000000, -0.0023024300000000, -0.0065579900000000 ] - [ -0.0016437400000000, 0.0003228300000000, -0.0029713000000000 ] - [ -0.0010116600000000, -0.0000027200000000, 0.0036891500000000 ] - [ -0.0010415800000000, -0.0000093900000000, 0.0025239100000000 ] - [ -0.0004736400000000, 0.0001756100000000, 0.0014032100000000 ] - [ -0.0007949800000000, 0.0002764700000000, 0.0014642000000000 ] - [ -0.0007113000000000, -0.0018572500000000, -0.0003794300000000 ] - [ -0.0014607800000000, -0.0015416200000000, 0.0002421500000000 ] - [ 0.0041104000000000, 0.0099214500000000, 0.0054226800000000 ] - [ -0.0012609700000000, 0.0000141700000000, 0.0000517500000000 ] - [ -0.0007536600000000, 0.0006192000000000, 0.0007955500000000 ] - [ -0.0000399700000000, 0.0003427100000000, 0.0007722900000000 ] - [ -0.0007797700000000, -0.0003535600000000, 0.0016724600000000 ] - [ 0.0013854900000000, -0.0019646100000000, 0.0014342100000000 ] - [ 0.0022201800000000, 0.0013246000000000, -0.0011275800000000 ] - [ -0.0118859200000000, 0.0022366500000000, 0.0257326500000000 ] - [ 0.0005574300000000, -0.0000006100000000, -0.0010357800000000 ] - [ 0.0004598000000000, 0.0000235600000000, -0.0010126900000000 ] - [ 0.0012838200000000, -0.0000037400000000, 0.0029610200000000 ] - [ 0.0002475200000000, -0.0007911200000000, 0.0029610000000000 ] - [ 0.0001700400000000, 0.0001049100000000, 0.0007543200000000 ] - [ -0.0000723900000000, 0.0002983800000000, 0.0007541300000000 ] - [ -0.0008864200000000, 0.0012287500000000, -0.0016185000000000 ] - [ 0.0082885600000000, 0.0059418300000000, 0.0048934000000000 ] - [ -0.0064903300000000, -0.0117975900000000, 0.0048967400000000 ] - [ 0.0001275600000000, -0.0005022900000000, -0.0016129500000000 ] - [ 0.0026358400000000, -0.0001528700000000, -0.0034763600000000 ] - [ -0.0118990300000000, -0.0135054200000000, -0.0072389400000000 ] - [ 0.0014282500000000, 0.0003165500000000, -0.0023906300000000 ] - [ 0.0012164600000000, 0.0007473200000000, -0.0018216000000000 ] - [ -0.0003452700000000, -0.0001269900000000, 0.0020100800000000 ] - [ -0.0002052300000000, -0.0002352100000000, 0.0021707600000000 ] - [ -0.0000889300000000, -0.0002456800000000, 0.0016577200000000 ] - [ 0.0000959100000000, -0.0004244100000000, 0.0019445000000000 ] - [ -0.0002274800000000, -0.0012050600000000, -0.0023360400000000 ] - [ -0.0006749200000000, -0.0009930500000000, -0.0021011700000000 ] - [ 0.0009054000000000, 0.0018907100000000, -0.0082803000000000 ] - [ -0.0105512800000000, 0.0074085000000000, -0.0063976600000000 ] - [ 0.0001128500000000, -0.0003549700000000, 0.0023244500000000 ] - [ 0.0002967600000000, -0.0002480600000000, 0.0023106600000000 ] - [ 0.0000106900000000, -0.0002961800000000, 0.0015860400000000 ] - [ 0.0001018800000000, -0.0001046400000000, 0.0014866500000000 ] - [ -0.0082983900000000, 0.0040683200000000, 0.0034897500000000 ] - [ 0.0148370100000000, -0.0028315200000000, 0.0042366100000000 ] - [ 0.0002460200000000, -0.0005768200000000, -0.0009869000000000 ] - [ 0.0003467900000000, 0.0003619800000000, -0.0009848600000000 ] - [ -0.0002630700000000, -0.0003607800000000, 0.0009596500000000 ] - [ -0.0003167800000000, -0.0004183800000000, 0.0010239500000000 ] - [ 0.0001018400000000, 0.0004412400000000, 0.0009771400000000 ] - [ -0.0009551700000000, 0.0008861000000000, 0.0031271500000000 ] - [ -0.0004856600000000, -0.0000545300000000, 0.0016586700000000 ] - [ 0.0016922200000000, 0.0007841400000000, 0.0021947400000000 ] - [ -0.0008381700000000, -0.0018510800000000, 0.0012898300000000 ] - [ -0.0001211900000000, -0.0004470000000000, 0.0002866100000000 ] - [ 0.0011803600000000, -0.0015986100000000, -0.0006012900000000 ] - [ -0.0007029100000000, -0.0015645900000000, -0.0006284900000000 ] - [ -0.0001824200000000, 0.0008829800000000, -0.0008903400000000 ] - [ -0.0021238700000000, 0.0025960300000000, -0.0008061900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005298400000000, 0.0002372400000000, 0.0046120700000000 ] - [ 0.0003641700000000, 0.0000729900000000, 0.0043025500000000 ] - [ 0.0001993500000000, -0.0004379100000000, 0.0032045900000000 ] - [ -0.0000007100000000, 0.0001176900000000, 0.0023028000000000 ] - [ 0.0004765900000000, 0.0012063800000000, 0.0045080900000000 ] - [ -0.0010672300000000, 0.0007548500000000, 0.0045877500000000 ] - [ 0.0000691600000000, 0.0003618200000000, 0.0025005500000000 ] - [ -0.0002257900000000, 0.0004163200000000, 0.0024766000000000 ] - [ 0.0055539800000000, 0.0001618200000000, 0.0088092400000000 ] - [ -0.0070933700000000, -0.0057248700000000, 0.0047181000000000 ] - [ 0.0007212700000000, 0.0013955000000000, 0.0005592300000000 ] - [ -0.0008244000000000, 0.0015725300000000, 0.0011562300000000 ] - [ -0.0001252600000000, 0.0004481700000000, -0.0035171800000000 ] - [ 0.0013259900000000, 0.0013899900000000, -0.0047395600000000 ] - [ 0.0216206900000000, 0.0142128700000000, -0.0274230900000000 ] - [ 0.0012941200000000, -0.0046299500000000, -0.0114295900000000 ] - [ 0.0048929500000000, -0.0101707600000000, -0.0080456600000000 ] - [ -0.0039858400000000, -0.0052784000000000, -0.0020170700000000 ] - [ 0.0048358200000000, 0.0039276700000000, -0.0071885600000000 ] - [ -0.0032154300000000, 0.0042571100000000, -0.0021556400000000 ] - [ -0.0045798700000000, 0.0051230900000000, 0.0034825200000000 ] - [ 0.0019991300000000, 0.0011378700000000, 0.0031309100000000 ] - [ -0.0005015500000000, -0.0056760200000000, 0.0062927700000000 ] - [ 0.0001625200000000, -0.0015971200000000, 0.0005409600000000 ] - [ 0.0192049500000000, -0.0012687300000000, -0.0399366400000000 ] - [ -0.0004491300000000, 0.0005366500000000, -0.0046436200000000 ] - [ -0.0001204000000000, -0.0006076300000000, -0.0030494200000000 ] - [ -0.0003369600000000, -0.0009674200000000, -0.0030130000000000 ] - [ 0.0002152500000000, -0.0001227500000000, 0.0035796500000000 ] - [ 0.0003455200000000, -0.0003853500000000, 0.0043819800000000 ] - [ -0.0000177300000000, 0.0009804900000000, 0.0025287800000000 ] - [ 0.0002722100000000, 0.0016121600000000, 0.0035996900000000 ] - [ -0.0029645800000000, -0.0007393800000000, 0.0046124200000000 ] - [ 0.0049555300000000, -0.0020205200000000, 0.0098695100000000 ] - [ -0.0004193600000000, -0.0004770000000000, 0.0004467400000000 ] - [ 0.0006661800000000, 0.0001215800000000, 0.0007892900000000 ] - [ -0.0031444100000000, 0.0023949900000000, -0.0068479100000000 ] - [ 0.0041254700000000, -0.0082549800000000, -0.0236951000000000 ] - [ -0.0036967300000000, -0.0034523000000000, -0.0053501400000000 ] - [ 0.0015221700000000, -0.0016005100000000, -0.0039649500000000 ] - [ 0.0003004500000000, -0.0012288600000000, 0.0009542500000000 ] - [ 0.0000282200000000, -0.0022110900000000, 0.0013792500000000 ] - [ -0.0001644600000000, 0.0018762000000000, 0.0010422000000000 ] - [ 0.0017429300000000, 0.0086250200000000, 0.0086699500000000 ] - [ 0.0003119900000000, 0.0006892400000000, 0.0031999900000000 ] - [ -0.0002043400000000, 0.0003958800000000, 0.0028415600000000 ] - [ 0.0005373900000000, -0.0005477000000000, 0.0043948300000000 ] - [ -0.0005020100000000, -0.0002836900000000, 0.0036488200000000 ] - [ 0.0001466600000000, -0.0002421700000000, -0.0018012800000000 ] - [ -0.0003185900000000, 0.0000630700000000, -0.0012510200000000 ] - [ -0.0001913100000000, 0.0008705600000000, -0.0017682700000000 ] - [ 0.0003324000000000, 0.0005476800000000, -0.0004520500000000 ] - [ -0.0089582400000000, 0.0122815100000000, -0.0170148400000000 ] - [ 0.0020736200000000, -0.0000000400000000, 0.0018916200000000 ] - [ 0.0003126800000000, -0.0009943300000000, 0.0012551000000000 ] - [ 0.0012387300000000, -0.0011985200000000, 0.0008863900000000 ] - [ -0.0568857300000000, -0.0089956900000000, 0.1403456500000000 ] - [ 0.0002197900000000, 0.0002986500000000, 0.0032485100000000 ] - [ -0.0008254400000000, 0.0000051900000000, 0.0018968200000000 ] - [ -0.0005831600000000, 0.0004682900000000, 0.0020684900000000 ] - [ 0.0001519900000000, 0.0003098400000000, -0.0015954100000000 ] - [ 0.0002550200000000, 0.0001981600000000, -0.0014294000000000 ] - [ 0.0004351500000000, -0.0000912800000000, -0.0019474900000000 ] - [ 0.0007206800000000, -0.0002204000000000, -0.0016708000000000 ] - [ -0.0013846900000000, -0.0003889900000000, -0.0032830200000000 ] - [ 0.0013476200000000, -0.0009715900000000, -0.0019219400000000 ] - [ -0.0001506200000000, 0.0000297000000000, -0.0010459000000000 ] - [ 0.0000657600000000, -0.0001144600000000, -0.0010767500000000 ] - [ 0.0004903400000000, -0.0012403600000000, 0.0006679100000000 ] - [ -0.0003031400000000, -0.0008230600000000, 0.0002634400000000 ] - [ -0.0000550600000000, 0.0052071000000000, -0.0097407900000000 ] - [ 0.0012618100000000, 0.0008809000000000, 0.0007059300000000 ] - [ 0.0006330100000000, 0.0012438000000000, -0.0027036000000000 ] - [ 0.0013703900000000, 0.0011959300000000, -0.0019118600000000 ] - [ -0.0011656000000000, -0.0023268200000000, -0.0022323600000000 ] - [ -0.0000110400000000, -0.0006172200000000, -0.0011531900000000 ] - [ -0.0007372100000000, -0.0071941700000000, -0.0110631200000000 ] - [ -0.0004443000000000, -0.0007454100000000, 0.0003382800000000 ] - [ -0.0015484900000000, 0.0013724700000000, 0.0006024400000000 ] - [ 0.0000656700000000, 0.0004613200000000, 0.0000179700000000 ] - [ -0.0005074200000000, 0.0000288700000000, -0.0021572500000000 ] - [ -0.0002908000000000, 0.0002229800000000, -0.0019513300000000 ] - [ -0.0005821400000000, -0.0001435200000000, -0.0015026000000000 ] - [ -0.0002131200000000, 0.0000057400000000, -0.0010962800000000 ] - [ 0.0029079400000000, -0.0015439900000000, 0.0068156600000000 ] - [ 0.0015494100000000, 0.0001574500000000, 0.0032261500000000 ] - [ -0.0015139600000000, 0.0024954500000000, 0.0068255400000000 ] - [ 0.0018991300000000, -0.0002487200000000, 0.0032272600000000 ] - [ 0.0002030900000000, 0.0004760000000000, -0.0026402300000000 ] - [ 0.0002317500000000, 0.0004834200000000, -0.0014743600000000 ] - [ -0.0003377600000000, 0.0002988200000000, -0.0003501000000000 ] - [ -0.0000166500000000, 0.0001977100000000, -0.0004107500000000 ] - [ -0.0001032900000000, 0.0013959200000000, 0.0014601500000000 ] - [ 0.0006433100000000, 0.0010682400000000, 0.0008342800000000 ] - [ -0.0049912700000000, -0.0105360100000000, -0.0044194000000000 ] - [ 0.0004595500000000, -0.0004826600000000, 0.0010263900000000 ] - [ 0.0015663500000000, -0.0010882200000000, -0.0018649100000000 ] - [ 0.0008584500000000, -0.0008169700000000, -0.0018471000000000 ] - [ 0.0015955300000000, -0.0001192500000000, -0.0027474100000000 ] - [ -0.0005690200000000, 0.0014930600000000, -0.0025071700000000 ] - [ -0.0014254900000000, -0.0008606100000000, 0.0000831100000000 ] - [ 0.0128375900000000, -0.0017778100000000, -0.0271540800000000 ] - [ 0.0002526000000000, 0.0004749600000000, -0.0000170000000000 ] - [ 0.0003517800000000, 0.0004509900000000, -0.0000400300000000 ] - [ -0.0015329700000000, -0.0000737200000000, -0.0032242200000000 ] - [ -0.0004854100000000, 0.0007213900000000, -0.0032243200000000 ] - [ -0.0004081900000000, -0.0001838400000000, -0.0009962000000000 ] - [ -0.0001629200000000, -0.0003799300000000, -0.0009963900000000 ] - [ 0.0006490200000000, -0.0011518200000000, 0.0013648500000000 ] - [ -0.0086078900000000, -0.0059285800000000, -0.0051426600000000 ] - [ 0.0062812900000000, 0.0119475800000000, -0.0051391400000000 ] - [ -0.0003745600000000, 0.0005787300000000, 0.0013704100000000 ] - [ -0.0019747400000000, 0.0003521900000000, 0.0038469500000000 ] - [ 0.0125307100000000, 0.0137768600000000, 0.0077415000000000 ] - [ -0.0008002000000000, -0.0000968800000000, 0.0027432700000000 ] - [ -0.0005954000000000, -0.0005350700000000, 0.0021746000000000 ] - [ 0.0009773900000000, -0.0000867400000000, -0.0016823200000000 ] - [ 0.0008394600000000, 0.0000212400000000, -0.0018461700000000 ] - [ 0.0007212700000000, 0.0000301100000000, -0.0013287200000000 ] - [ 0.0005377000000000, 0.0002081900000000, -0.0016186700000000 ] - [ -0.0004009700000000, 0.0014257100000000, 0.0026922900000000 ] - [ 0.0000452400000000, 0.0012095800000000, 0.0024512900000000 ] - [ -0.0014860900000000, -0.0016313200000000, 0.0086649500000000 ] - [ 0.0099755400000000, -0.0072488700000000, 0.0068384000000000 ] - [ -0.0007475100000000, 0.0001388700000000, -0.0020000600000000 ] - [ -0.0009296500000000, 0.0000333900000000, -0.0019862900000000 ] - [ -0.0006432000000000, 0.0000814100000000, -0.0012561900000000 ] - [ -0.0007333400000000, -0.0001100900000000, -0.0011572500000000 ] - [ 0.0085496600000000, -0.0040159800000000, -0.0037509000000000 ] - [ -0.0145164800000000, 0.0029126700000000, -0.0044930900000000 ] - [ 0.0000018000000000, 0.0006535100000000, 0.0007389400000000 ] - [ -0.0001099300000000, -0.0002827800000000, 0.0007397400000000 ] - [ 0.0005014800000000, 0.0002857300000000, -0.0012018600000000 ] - [ 0.0005568400000000, 0.0003445000000000, -0.0012672100000000 ] - [ 0.0001323200000000, -0.0005241700000000, -0.0012194100000000 ] - [ 0.0012020000000000, -0.0009733700000000, -0.0033935300000000 ] - [ -0.0003336900000000, -0.0004212000000000, -0.0027299200000000 ] - [ -0.0025062700000000, -0.0012570200000000, -0.0032709900000000 ] - [ 0.0000206400000000, 0.0013762400000000, -0.0023602500000000 ] - [ -0.0006947900000000, -0.0000264100000000, -0.0013576200000000 ] - [ -0.0020087900000000, 0.0020895500000000, -0.0004487600000000 ] - [ -0.0001058500000000, 0.0020543300000000, -0.0004188000000000 ] - [ -0.0006321500000000, -0.0004133200000000, -0.0001591900000000 ] - [ 0.0013297300000000, -0.0021454300000000, -0.0002478500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030074600000000, 0.0032549100000000, -0.0032882000000000 ] - [ -0.0011443500000000, 0.0000090000000000, 0.0002060000000000 ] - [ 0.0011899900000000, -0.0002688800000000, 0.0000780000000000 ] - [ -0.0009812200000000, 0.0006952000000000, 0.0001387300000000 ] - [ 0.0286180500000000, 0.0012038800000000, 0.0139716600000000 ] - [ -0.0093373500000000, -0.0025502300000000, 0.0062047200000000 ] - [ 0.0018323800000000, 0.0023040100000000, -0.0000085500000000 ] - [ -0.0018975600000000, 0.0019359300000000, 0.0017824300000000 ] - [ 0.0271948400000000, -0.0135839600000000, 0.0006436200000000 ] - [ -0.0099259100000000, -0.0063115400000000, 0.0013747200000000 ] - [ 0.0045726800000000, 0.0026415000000000, -0.0005162300000000 ] - [ -0.0050862300000000, 0.0068016700000000, 0.0039975000000000 ] - [ 0.0002405900000000, 0.0000482500000000, -0.0002003700000000 ] - [ -0.0002012000000000, -0.0002373800000000, -0.0006078200000000 ] - [ 0.0009943400000000, -0.0008870000000000, -0.0010230200000000 ] - [ -0.0009727000000000, -0.0015456600000000, -0.0018040400000000 ] - [ 0.0028164000000000, 0.0008801600000000, 0.0041410500000000 ] - [ -0.0013186800000000, -0.0012046400000000, -0.0005063700000000 ] - [ 0.0046448000000000, 0.0016139900000000, -0.0012797200000000 ] - [ -0.0047583300000000, -0.0009370600000000, -0.0067564600000000 ] - [ 0.0001480000000000, 0.0000668100000000, -0.0008992700000000 ] - [ -0.0003808200000000, -0.0000332700000000, -0.0005363500000000 ] - [ 0.0003039000000000, -0.0006785400000000, -0.0009427400000000 ] - [ -0.0004036200000000, -0.0003223600000000, -0.0008951900000000 ] - [ 0.0040224200000000, -0.0060086700000000, -0.0081394000000000 ] - [ -0.0040645600000000, -0.0007884600000000, 0.0046878400000000 ] - [ 0.0006469200000000, 0.0016503200000000, -0.0008268800000000 ] - [ -0.0013051300000000, 0.0017262700000000, -0.0001372200000000 ] - [ -0.0075206000000000, 0.0067156400000000, -0.0033687000000000 ] - [ 0.0039167800000000, -0.0035877300000000, 0.0038370100000000 ] - [ -0.0037898400000000, -0.0033844600000000, -0.0010853200000000 ] - [ 0.0032292800000000, 0.0046218000000000, 0.0075844400000000 ] - [ -0.0003135700000000, -0.0004792200000000, -0.0013354000000000 ] - [ 0.0004450400000000, -0.0003741800000000, -0.0010164700000000 ] - [ 0.0000014100000000, 0.0000045400000000, -0.0006511400000000 ] - [ 0.0002610100000000, 0.0000439000000000, -0.0004490800000000 ] - [ -0.0004194900000000, -0.0005025600000000, 0.0001250600000000 ] - [ 0.0004464300000000, -0.0014308300000000, -0.0010191800000000 ] - [ -0.0004259600000000, -0.0001781600000000, -0.0010832100000000 ] - [ 0.0002158100000000, -0.0001085600000000, -0.0015423300000000 ] - [ -0.0041677100000000, 0.0045882100000000, -0.0007592400000000 ] - [ 0.0019142300000000, 0.0013978800000000, 0.0008621700000000 ] - [ -0.0088422700000000, -0.0046533500000000, 0.0040496000000000 ] - [ 0.0215962100000000, -0.0121348200000000, 0.0084864600000000 ] - [ 0.0003296000000000, 0.0008159900000000, 0.0000594000000000 ] - [ -0.0005006000000000, 0.0014271600000000, -0.0013429800000000 ] - [ 0.0019024500000000, -0.0002335800000000, 0.0001736600000000 ] - [ -0.0039680300000000, -0.0029683000000000, -0.0021104800000000 ] - [ -0.0001547600000000, -0.0006634600000000, 0.0011413200000000 ] - [ 0.0007960900000000, 0.0003360300000000, 0.0008251900000000 ] - [ 0.0001851300000000, 0.0003549200000000, 0.0007355400000000 ] - [ 0.0013699600000000, 0.0008623600000000, 0.0011210100000000 ] - [ -0.0045697600000000, 0.0012427500000000, -0.0039812600000000 ] - [ 0.0031907000000000, -0.0000481800000000, 0.0015946900000000 ] - [ -0.0002069900000000, -0.0010371200000000, 0.0007111400000000 ] - [ 0.0028218700000000, -0.0021690000000000, 0.0015345400000000 ] - [ -0.0011578600000000, 0.0006292200000000, 0.0018158600000000 ] - [ 0.0010864800000000, 0.0002901600000000, -0.0009026400000000 ] - [ -0.0005351200000000, -0.0003732600000000, 0.0005857300000000 ] - [ -0.0001058000000000, -0.0002542600000000, 0.0003708000000000 ] - [ -0.0006047400000000, -0.0000052000000000, -0.0000524400000000 ] - [ 0.0015802300000000, -0.0024993800000000, 0.0007306300000000 ] - [ -0.0067222800000000, 0.0038396200000000, 0.0004963500000000 ] - [ 0.0029442900000000, -0.0008200200000000, -0.0008301700000000 ] - [ -0.1322681800000000, 0.0661526600000000, -0.0476271800000000 ] - [ 0.0041646200000000, -0.0006950300000000, -0.0000030400000000 ] - [ -0.0003174500000000, -0.0009891600000000, -0.0006763500000000 ] - [ 0.0022425900000000, -0.0024154300000000, -0.0007865700000000 ] - [ 0.0001822200000000, -0.0001562800000000, 0.0000292400000000 ] - [ 0.0004509000000000, 0.0000070700000000, 0.0001715600000000 ] - [ 0.0003385800000000, 0.0001649000000000, 0.0003214400000000 ] - [ 0.0007493000000000, 0.0002817500000000, 0.0006013900000000 ] - [ -0.0058878500000000, 0.0000031100000000, 0.0013322700000000 ] - [ 0.0030990700000000, 0.0007986400000000, -0.0019314200000000 ] - [ -0.0059096900000000, -0.0084299500000000, -0.0036059500000000 ] - [ 0.0031013000000000, 0.0014779200000000, -0.0013243000000000 ] - [ -0.0006127200000000, 0.0002130600000000, 0.0004048200000000 ] - [ -0.0001773300000000, 0.0000061300000000, -0.0000211700000000 ] - [ -0.0005602300000000, 0.0000482800000000, 0.0004119700000000 ] - [ -0.0003573300000000, -0.0000171100000000, 0.0002999600000000 ] - [ -0.0047626000000000, -0.0022666200000000, -0.0002692700000000 ] - [ 0.0032279600000000, 0.0020279800000000, -0.0000147500000000 ] - [ -0.0015141900000000, -0.0011777700000000, -0.0011148100000000 ] - [ 0.0015104300000000, 0.0005191600000000, 0.0004971800000000 ] - [ -0.0005724600000000, 0.0000282400000000, -0.0007272500000000 ] - [ 0.0005504700000000, -0.0000934000000000, 0.0004242500000000 ] - [ -0.0001156300000000, -0.0000811900000000, 0.0010653000000000 ] - [ 0.0012626600000000, 0.0001662600000000, 0.0018040200000000 ] - [ -0.0015048100000000, 0.0007379000000000, 0.0013111500000000 ] - [ 0.0004951700000000, -0.0000890500000000, 0.0011802800000000 ] - [ -0.0005660200000000, 0.0001581000000000, 0.0006199000000000 ] - [ -0.0001825500000000, -0.0001587300000000, 0.0008591000000000 ] - [ -0.0015628400000000, -0.0013126000000000, 0.0005038500000000 ] - [ 0.0007381400000000, -0.0007801300000000, -0.0003721900000000 ] - [ -0.0059491300000000, -0.0007109100000000, 0.0094791300000000 ] - [ 0.0028887300000000, 0.0014667100000000, -0.0008498400000000 ] - [ 0.0004047700000000, -0.0004937800000000, -0.0001123400000000 ] - [ 0.0003738200000000, -0.0003840000000000, -0.0003332800000000 ] - [ 0.0002672500000000, 0.0001389500000000, 0.0004557200000000 ] - [ 0.0002045600000000, -0.0001254400000000, -0.0002776400000000 ] - [ 0.0106331900000000, 0.0020446600000000, -0.0093870200000000 ] - [ 0.0115444100000000, 0.0075171400000000, 0.0101680000000000 ] - [ -0.0001580900000000, -0.0014511100000000, -0.0006901600000000 ] - [ -0.0002284400000000, -0.0012669600000000, -0.0004936800000000 ] - [ 0.0199758800000000, -0.0177362200000000, 0.0120036100000000 ] - [ 0.0040907400000000, 0.0037249800000000, -0.0024387900000000 ] - [ -0.0011713600000000, 0.0004177700000000, -0.0010260900000000 ] - [ 0.0006008200000000, -0.0021174900000000, -0.0012379300000000 ] - [ -0.0000774400000000, -0.0001028900000000, 0.0001015800000000 ] - [ 0.0000569100000000, 0.0000552100000000, 0.0002855200000000 ] - [ -0.0000511200000000, 0.0000737900000000, 0.0004035200000000 ] - [ 0.0001038600000000, 0.0000639500000000, 0.0005426600000000 ] - [ 0.0006272200000000, 0.0002830700000000, -0.0007566400000000 ] - [ 0.0006222200000000, 0.0014664400000000, 0.0012294500000000 ] - [ -0.0002751100000000, -0.0004970300000000, 0.0005801300000000 ] - [ -0.0002778700000000, -0.0007289100000000, 0.0013335500000000 ] - [ 0.0004601100000000, -0.0013421400000000, 0.0014835100000000 ] - [ 0.0002163700000000, -0.0000810100000000, -0.0001401300000000 ] - [ 0.0002230400000000, 0.0009069400000000, 0.0005106600000000 ] - [ 0.0004511300000000, -0.0000134500000000, -0.0015857400000000 ] - [ 0.0001186700000000, -0.0008633200000000, -0.0001851000000000 ] - [ -0.0000937800000000, -0.0000944600000000, 0.0004398400000000 ] - [ -0.0012983900000000, 0.0011494900000000, -0.0000780500000000 ] - [ 0.0004741400000000, 0.0003062700000000, 0.0024417300000000 ] - [ 0.0068115600000000, -0.0028055200000000, 0.0121928600000000 ] - [ -0.0003271800000000, 0.0003884100000000, -0.0014773100000000 ] - [ -0.0007426200000000, -0.0004731700000000, 0.0000909100000000 ] - [ -0.0001384000000000, -0.0002905200000000, -0.0000645100000000 ] - [ -0.0002233000000000, 0.0002910900000000, 0.0003112800000000 ] - [ -0.0001075800000000, 0.0002288800000000, 0.0004951000000000 ] - [ 0.0001986600000000, -0.0002631000000000, 0.0002068400000000 ] - [ 0.0000965800000000, -0.0001998300000000, 0.0002983400000000 ] - [ -0.0002033800000000, -0.0019964000000000, -0.0000320400000000 ] - [ -0.0000493700000000, -0.0001448600000000, -0.0004792500000000 ] - [ 0.0107361400000000, 0.0094499700000000, 0.0010506700000000 ] - [ 0.0101875500000000, -0.0054562100000000, -0.0104397600000000 ] - [ -0.0002765500000000, -0.0004655100000000, 0.0004910900000000 ] - [ -0.0002878700000000, -0.0002567700000000, -0.0002706400000000 ] - [ -0.0004842500000000, -0.0002026700000000, -0.0003574000000000 ] - [ -0.0002454800000000, -0.0002587900000000, -0.0003751700000000 ] - [ 0.0072144400000000, -0.0116476900000000, -0.0075286100000000 ] - [ -0.0003394100000000, 0.0016055600000000, -0.0002212100000000 ] - [ -0.0018396000000000, 0.0017270000000000, -0.0019415700000000 ] - [ 0.0173387200000000, -0.0137036000000000, 0.0086517300000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027648400000000, -0.0026611600000000, 0.0030854500000000 ] - [ 0.0014063100000000, 0.0005576700000000, -0.0003657800000000 ] - [ -0.0009372700000000, 0.0008350200000000, -0.0002443800000000 ] - [ 0.0012378900000000, -0.0001244400000000, -0.0003021400000000 ] - [ -0.0289593100000000, -0.0001914300000000, -0.0152257300000000 ] - [ 0.0093088200000000, 0.0037267900000000, -0.0061660600000000 ] - [ -0.0018436200000000, -0.0010845700000000, 0.0000064400000000 ] - [ 0.0019044200000000, -0.0007179000000000, -0.0017806600000000 ] - [ -0.0277845500000000, 0.0153064300000000, 0.0001703700000000 ] - [ 0.0096464500000000, 0.0068374300000000, -0.0011869100000000 ] - [ -0.0048262700000000, -0.0020672300000000, 0.0006854700000000 ] - [ 0.0048146500000000, -0.0061892300000000, -0.0038167800000000 ] - [ -0.0002408400000000, -0.0012554700000000, 0.0002014800000000 ] - [ 0.0002009000000000, -0.0009718100000000, 0.0006047000000000 ] - [ -0.0009937400000000, -0.0003239900000000, 0.0010169300000000 ] - [ 0.0009716400000000, 0.0003327500000000, 0.0017916600000000 ] - [ -0.0025616600000000, -0.0014390600000000, -0.0042783800000000 ] - [ 0.0015747600000000, 0.0006252800000000, 0.0003345200000000 ] - [ -0.0043819600000000, -0.0021807800000000, 0.0011138400000000 ] - [ 0.0049949900000000, 0.0003712800000000, 0.0065490900000000 ] - [ -0.0004049700000000, -0.0006322600000000, 0.0010602300000000 ] - [ 0.0001252800000000, -0.0005365400000000, 0.0007025900000000 ] - [ -0.0005610000000000, 0.0001060800000000, 0.0011044400000000 ] - [ 0.0001483100000000, -0.0002494700000000, 0.0010591100000000 ] - [ -0.0042267600000000, 0.0054134900000000, 0.0079402800000000 ] - [ 0.0037953700000000, 0.0002108900000000, -0.0048616900000000 ] - [ -0.0008960900000000, -0.0022091500000000, 0.0006600000000000 ] - [ 0.0010387300000000, -0.0022870700000000, -0.0000334900000000 ] - [ 0.0075227500000000, -0.0055281900000000, 0.0033871900000000 ] - [ -0.0038473900000000, 0.0048298100000000, -0.0038617300000000 ] - [ 0.0037803000000000, 0.0045970600000000, 0.0010932500000000 ] - [ -0.0031824300000000, -0.0033990900000000, -0.0075496400000000 ] - [ 0.0005634800000000, -0.0000940900000000, 0.0014966500000000 ] - [ -0.0001856400000000, -0.0001954000000000, 0.0011755500000000 ] - [ 0.0002523800000000, -0.0005741100000000, 0.0008181600000000 ] - [ -0.0000036900000000, -0.0006120000000000, 0.0006146500000000 ] - [ 0.0004148400000000, -0.0007105200000000, -0.0001279100000000 ] - [ -0.0004427400000000, 0.0002156300000000, 0.0010148400000000 ] - [ 0.0004214500000000, -0.0010294500000000, 0.0010777300000000 ] - [ -0.0002123800000000, -0.0011000800000000, 0.0015358100000000 ] - [ 0.0043976900000000, -0.0040081200000000, 0.0009106700000000 ] - [ -0.0016258200000000, -0.0007937700000000, -0.0006703700000000 ] - [ 0.0090613900000000, 0.0052280500000000, -0.0038833000000000 ] - [ -0.0202666200000000, 0.0112242700000000, -0.0073617000000000 ] - [ -0.0005803000000000, -0.0002374500000000, -0.0002310600000000 ] - [ 0.0002395400000000, -0.0008560800000000, 0.0011800500000000 ] - [ -0.0021341800000000, 0.0008008100000000, -0.0003589800000000 ] - [ 0.0036904500000000, 0.0035214600000000, 0.0019429600000000 ] - [ 0.0009663100000000, 0.0011291800000000, -0.0000726200000000 ] - [ 0.0000166800000000, 0.0001368700000000, 0.0002361900000000 ] - [ 0.0006298300000000, 0.0001228000000000, 0.0003326800000000 ] - [ -0.0005540500000000, -0.0003865500000000, -0.0000580800000000 ] - [ 0.0053708800000000, -0.0017222400000000, 0.0050002400000000 ] - [ -0.0023688300000000, -0.0004181300000000, -0.0005241900000000 ] - [ 0.0010184100000000, 0.0005611400000000, 0.0003502900000000 ] - [ -0.0019962000000000, 0.0016835200000000, -0.0004652800000000 ] - [ 0.0009146400000000, -0.0005476500000000, -0.0015676200000000 ] - [ -0.0013244600000000, -0.0002091000000000, 0.0011483600000000 ] - [ 0.0002948700000000, 0.0004488300000000, -0.0003440200000000 ] - [ -0.0001316400000000, 0.0003310100000000, -0.0001289100000000 ] - [ 0.0003679000000000, -0.0000815300000000, 0.0002971000000000 ] - [ -0.0018217400000000, 0.0024336900000000, -0.0004981600000000 ] - [ 0.0064628000000000, -0.0038844300000000, -0.0002171000000000 ] - [ -0.0031690700000000, 0.0007386400000000, 0.0010590700000000 ] - [ 0.1326382000000000, -0.0659127700000000, 0.0469850400000000 ] - [ -0.0035243300000000, 0.0004787600000000, -0.0003321900000000 ] - [ 0.0009504600000000, 0.0007633700000000, 0.0003403500000000 ] - [ -0.0016064400000000, 0.0021909500000000, 0.0004482400000000 ] - [ 0.0004470400000000, 0.0003698500000000, -0.0003650100000000 ] - [ 0.0001794900000000, 0.0002078000000000, -0.0005067900000000 ] - [ 0.0002923000000000, 0.0000511700000000, -0.0006546700000000 ] - [ -0.0001166900000000, -0.0000652600000000, -0.0009334900000000 ] - [ 0.0052317200000000, -0.0003216700000000, -0.0016721200000000 ] - [ -0.0037225000000000, -0.0010038900000000, 0.0015972000000000 ] - [ 0.0052102400000000, 0.0082178000000000, 0.0032373000000000 ] - [ -0.0037203000000000, -0.0016942100000000, 0.0009842600000000 ] - [ -0.0000200800000000, 0.0000025000000000, -0.0007378900000000 ] - [ -0.0004530100000000, 0.0002088200000000, -0.0003136600000000 ] - [ -0.0000725800000000, 0.0001676000000000, -0.0007457100000000 ] - [ -0.0002739800000000, 0.0002326700000000, -0.0006346500000000 ] - [ 0.0050066700000000, 0.0021446700000000, 0.0005814100000000 ] - [ -0.0029913000000000, -0.0021031500000000, 0.0002435700000000 ] - [ 0.0017454000000000, 0.0010971600000000, 0.0013498400000000 ] - [ -0.0012768500000000, -0.0005998600000000, -0.0002609500000000 ] - [ 0.0008061600000000, 0.0000491200000000, 0.0009619800000000 ] - [ -0.0003121400000000, 0.0001714300000000, -0.0001822000000000 ] - [ 0.0003517800000000, 0.0001596800000000, -0.0008240400000000 ] - [ -0.0010190500000000, -0.0000879300000000, -0.0015537800000000 ] - [ 0.0006847500000000, -0.0002614200000000, -0.0002402800000000 ] - [ -0.0013058300000000, 0.0005616300000000, -0.0001181500000000 ] - [ -0.0002480700000000, 0.0003135600000000, 0.0004431700000000 ] - [ -0.0006311700000000, 0.0006321600000000, 0.0002023100000000 ] - [ 0.0007432600000000, 0.0008309200000000, 0.0005533700000000 ] - [ -0.0015488400000000, 0.0003060600000000, 0.0014336800000000 ] - [ 0.0050646600000000, 0.0002656700000000, -0.0084022100000000 ] - [ -0.0036912300000000, -0.0019358300000000, 0.0019131400000000 ] - [ 0.0004104200000000, 0.0000187000000000, -0.0009510700000000 ] - [ 0.0004378100000000, -0.0000905300000000, -0.0007269700000000 ] - [ 0.0005470700000000, -0.0006098000000000, -0.0015150700000000 ] - [ 0.0006046600000000, -0.0003466400000000, -0.0007798000000000 ] - [ -0.0098637300000000, -0.0015492800000000, 0.0083810900000000 ] - [ -0.0106109300000000, -0.0069583700000000, -0.0110892200000000 ] - [ 0.0009735700000000, 0.0019189400000000, -0.0003722700000000 ] - [ 0.0010312200000000, 0.0017229900000000, -0.0005713000000000 ] - [ -0.0204456500000000, 0.0179210500000000, -0.0124280200000000 ] - [ -0.0043125200000000, -0.0037632900000000, 0.0021719300000000 ] - [ 0.0009368500000000, -0.0004988000000000, 0.0007857100000000 ] - [ -0.0008434600000000, 0.0020288200000000, 0.0009904900000000 ] - [ -0.0001588200000000, 0.0001806800000000, -0.0003402200000000 ] - [ -0.0002947900000000, 0.0000224100000000, -0.0005249700000000 ] - [ -0.0001855300000000, 0.0000048700000000, -0.0006411700000000 ] - [ -0.0003421500000000, 0.0000136500000000, -0.0007800000000000 ] - [ 0.0000106100000000, -0.0000616100000000, 0.0010907600000000 ] - [ 0.0000055700000000, -0.0012453300000000, -0.0008880300000000 ] - [ 0.0009048000000000, 0.0007110800000000, -0.0002427400000000 ] - [ 0.0009020600000000, 0.0009380000000000, -0.0009912700000000 ] - [ 0.0001817700000000, 0.0011213900000000, -0.0011578300000000 ] - [ 0.0004049400000000, -0.0001361000000000, 0.0004827100000000 ] - [ 0.0004116100000000, -0.0011192700000000, -0.0001791200000000 ] - [ 0.0001727500000000, -0.0001989000000000, 0.0019144700000000 ] - [ -0.0007444300000000, 0.0010705000000000, 0.0005172000000000 ] - [ -0.0005385600000000, 0.0003102900000000, -0.0001028600000000 ] - [ 0.0006685200000000, -0.0009334400000000, 0.0004165300000000 ] - [ -0.0011070400000000, -0.0000891100000000, -0.0020924900000000 ] - [ -0.0074459400000000, 0.0025865400000000, -0.0117987900000000 ] - [ -0.0003149000000000, -0.0006031000000000, 0.0018017800000000 ] - [ 0.0001130500000000, 0.0002575300000000, 0.0002452800000000 ] - [ -0.0004964500000000, 0.0000721200000000, 0.0003979700000000 ] - [ 0.0004598000000000, -0.0002123500000000, -0.0005491700000000 ] - [ 0.0003416900000000, -0.0001494100000000, -0.0007314000000000 ] - [ 0.0000397500000000, 0.0003394800000000, -0.0004471400000000 ] - [ 0.0001395900000000, 0.0002770800000000, -0.0005370000000000 ] - [ 0.0004489500000000, 0.0019240600000000, -0.0002057100000000 ] - [ 0.0002728800000000, 0.0000568000000000, 0.0002408500000000 ] - [ -0.0105475100000000, -0.0095798000000000, -0.0013419200000000 ] - [ -0.0098404500000000, 0.0053034000000000, 0.0100874900000000 ] - [ -0.0005320900000000, -0.0000110800000000, -0.0015403700000000 ] - [ -0.0005286500000000, -0.0002174800000000, -0.0007922600000000 ] - [ -0.0003291800000000, -0.0002697200000000, -0.0007047700000000 ] - [ -0.0005694900000000, -0.0002146300000000, -0.0006879500000000 ] - [ -0.0080487800000000, 0.0120773200000000, 0.0064420500000000 ] - [ -0.0004868500000000, -0.0011194800000000, -0.0008436500000000 ] - [ 0.0010297800000000, -0.0012520100000000, 0.0008754100000000 ] - [ -0.0180046300000000, 0.0140981300000000, -0.0096596700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017323400000000, 0.0025923500000000, 0.0026131000000000 ] - [ -0.0000143600000000, 0.0019439700000000, 0.0007668500000000 ] - [ -0.0003823800000000, -0.0011907200000000, -0.0014003300000000 ] - [ 0.0008335400000000, -0.0014185700000000, -0.0009949300000000 ] - [ -0.0007842200000000, 0.0232467000000000, 0.0085258600000000 ] - [ 0.0035457500000000, 0.0077817300000000, -0.0014910000000000 ] - [ -0.0003608100000000, -0.0045983700000000, 0.0012415200000000 ] - [ 0.0005407400000000, -0.0033067100000000, 0.0000457500000000 ] - [ -0.0169525400000000, 0.0325449700000000, 0.0051493200000000 ] - [ 0.0008900600000000, 0.0042278000000000, -0.0016089300000000 ] - [ -0.0067184200000000, -0.0095312300000000, 0.0039318600000000 ] - [ 0.0034727800000000, -0.0070989600000000, -0.0015144500000000 ] - [ -0.0001301500000000, -0.0019699400000000, -0.0012049800000000 ] - [ 0.0001197600000000, -0.0014608400000000, -0.0003795400000000 ] - [ -0.0002955800000000, 0.0007066600000000, 0.0000519200000000 ] - [ 0.0003595300000000, 0.0005680300000000, 0.0003386400000000 ] - [ -0.0017936500000000, -0.0038442900000000, -0.0093009900000000 ] - [ 0.0006541500000000, -0.0004191200000000, -0.0015710300000000 ] - [ -0.0034074300000000, -0.0020203400000000, 0.0038023300000000 ] - [ 0.0036224300000000, 0.0008841800000000, 0.0061079300000000 ] - [ -0.0001752800000000, -0.0003556700000000, 0.0000115500000000 ] - [ -0.0000949700000000, -0.0003527000000000, 0.0000373100000000 ] - [ -0.0002105800000000, -0.0002411300000000, -0.0005835200000000 ] - [ 0.0000290900000000, -0.0003441200000000, -0.0004030600000000 ] - [ -0.0028916100000000, 0.0088500800000000, 0.0008140400000000 ] - [ 0.0023484300000000, 0.0025587600000000, -0.0033465100000000 ] - [ -0.0004903800000000, -0.0042056200000000, -0.0000763100000000 ] - [ 0.0009703800000000, -0.0038371400000000, -0.0000705700000000 ] - [ 0.0052586300000000, -0.0033144300000000, 0.0048720300000000 ] - [ -0.0070287000000000, -0.0025426600000000, 0.0096895200000000 ] - [ -0.0014045300000000, -0.0017491400000000, -0.0016480700000000 ] - [ 0.0030414300000000, -0.0051037700000000, -0.0084688600000000 ] - [ 0.0002840200000000, 0.0007524000000000, -0.0003961000000000 ] - [ 0.0000238800000000, 0.0006644200000000, -0.0002404000000000 ] - [ 0.0001447600000000, -0.0010517000000000, -0.0001358400000000 ] - [ -0.0000121700000000, -0.0011978600000000, -0.0001076900000000 ] - [ 0.0005639900000000, -0.0002795100000000, -0.0014758700000000 ] - [ -0.0007411700000000, 0.0002706800000000, -0.0009524600000000 ] - [ 0.0001706900000000, -0.0012956200000000, 0.0004785800000000 ] - [ 0.0000273400000000, -0.0014149200000000, 0.0007502300000000 ] - [ 0.0062434200000000, -0.0073930900000000, 0.0029077900000000 ] - [ -0.0048879200000000, -0.0095610000000000, -0.0032663100000000 ] - [ -0.0006975300000000, 0.0068765500000000, 0.0043068000000000 ] - [ -0.0119938100000000, 0.0264633200000000, -0.0055896400000000 ] - [ -0.0003105900000000, -0.0012960300000000, 0.0010725200000000 ] - [ -0.0000776000000000, -0.0010385900000000, 0.0010361200000000 ] - [ 0.0006868100000000, 0.0023284200000000, -0.0036542800000000 ] - [ -0.0009247300000000, 0.0004322800000000, -0.0015796100000000 ] - [ 0.0003554000000000, 0.0002428500000000, 0.0002338100000000 ] - [ 0.0003240300000000, 0.0001087900000000, 0.0003659300000000 ] - [ 0.0007710400000000, 0.0005650900000000, 0.0014000600000000 ] - [ 0.0005844300000000, 0.0004439900000000, 0.0009948100000000 ] - [ 0.0050194600000000, -0.0005131200000000, 0.0108655200000000 ] - [ -0.0003856900000000, -0.0006688800000000, 0.0008915500000000 ] - [ 0.0002273900000000, 0.0013885700000000, -0.0009151900000000 ] - [ -0.0017462000000000, 0.0017335100000000, -0.0007297600000000 ] - [ 0.0000015200000000, -0.0010250400000000, 0.0004043300000000 ] - [ -0.0009669400000000, -0.0005656200000000, 0.0009807100000000 ] - [ 0.0002734200000000, 0.0008675700000000, -0.0000121400000000 ] - [ -0.0000740900000000, 0.0006313300000000, 0.0001303100000000 ] - [ -0.0003925100000000, 0.0016446600000000, -0.0012373600000000 ] - [ -0.0013869700000000, 0.0021243800000000, -0.0008112500000000 ] - [ -0.0001622900000000, -0.0002725400000000, 0.0052565700000000 ] - [ 0.0001269900000000, -0.0005312600000000, 0.0008910600000000 ] - [ 0.0665285100000000, -0.1346033800000000, -0.0117321600000000 ] - [ -0.0002711700000000, -0.0021739700000000, -0.0008222200000000 ] - [ -0.0005658000000000, 0.0050958600000000, -0.0001087700000000 ] - [ -0.0019911100000000, 0.0032440000000000, -0.0002799500000000 ] - [ 0.0005787200000000, 0.0004071000000000, 0.0002455000000000 ] - [ 0.0004164500000000, 0.0003331400000000, -0.0000314200000000 ] - [ 0.0002592800000000, -0.0002140400000000, -0.0000733000000000 ] - [ 0.0001437800000000, -0.0001846700000000, -0.0001936500000000 ] - [ 0.0080609500000000, 0.0205199300000000, -0.0025225200000000 ] - [ -0.0019068400000000, -0.0003125500000000, 0.0001509900000000 ] - [ -0.0004687500000000, 0.0202186300000000, 0.0017994500000000 ] - [ -0.0012076000000000, -0.0002987500000000, -0.0004878500000000 ] - [ -0.0002111900000000, -0.0002197700000000, 0.0000781900000000 ] - [ -0.0004166100000000, -0.0001640500000000, 0.0002635400000000 ] - [ -0.0003767700000000, 0.0004260100000000, -0.0002425800000000 ] - [ -0.0004414400000000, 0.0003960400000000, -0.0001845400000000 ] - [ -0.0014200300000000, -0.0006768800000000, -0.0072094100000000 ] - [ -0.0015269400000000, -0.0021095600000000, -0.0007357300000000 ] - [ 0.0018458700000000, 0.0023643900000000, 0.0013772500000000 ] - [ 0.0007001700000000, 0.0012058500000000, 0.0004729500000000 ] - [ 0.0011764600000000, 0.0004260400000000, 0.0023367700000000 ] - [ -0.0000082800000000, 0.0002991300000000, 0.0006311600000000 ] - [ 0.0000456700000000, 0.0000735200000000, -0.0012221700000000 ] - [ -0.0006104400000000, -0.0001546600000000, -0.0011743400000000 ] - [ 0.0000723000000000, -0.0009779600000000, 0.0004467500000000 ] - [ 0.0000627800000000, -0.0004918500000000, 0.0007252600000000 ] - [ -0.0007566100000000, 0.0009991300000000, 0.0006731100000000 ] - [ -0.0008516300000000, 0.0009689300000000, 0.0005943700000000 ] - [ 0.0011477800000000, 0.0023459200000000, 0.0016059000000000 ] - [ -0.0013655600000000, 0.0010996200000000, 0.0016360700000000 ] - [ 0.0010955700000000, -0.0019116400000000, -0.0109959500000000 ] - [ -0.0020633700000000, -0.0023367900000000, 0.0000691700000000 ] - [ 0.0003287000000000, 0.0001005800000000, -0.0007071100000000 ] - [ 0.0004233800000000, 0.0000903200000000, -0.0008165900000000 ] - [ 0.0004260700000000, -0.0004676200000000, 0.0000891500000000 ] - [ 0.0002153600000000, -0.0006236000000000, 0.0003904100000000 ] - [ -0.0068522200000000, -0.0078835200000000, 0.0033558200000000 ] - [ -0.0013784900000000, -0.0078828700000000, -0.0023289700000000 ] - [ 0.0019350800000000, 0.0041881300000000, -0.0009864500000000 ] - [ 0.0020716300000000, 0.0041993300000000, -0.0000887900000000 ] - [ -0.0184436400000000, 0.0042128600000000, -0.0138292600000000 ] - [ 0.0035547200000000, -0.0022953500000000, -0.0003761000000000 ] - [ 0.0002210000000000, 0.0019666300000000, 0.0005123600000000 ] - [ -0.0023554600000000, 0.0031212100000000, 0.0000800700000000 ] - [ -0.0000980200000000, 0.0001364100000000, 0.0002003400000000 ] - [ -0.0000013400000000, 0.0001528700000000, 0.0000205500000000 ] - [ -0.0000312500000000, -0.0000814300000000, 0.0000114700000000 ] - [ -0.0001534900000000, -0.0000798800000000, -0.0000969400000000 ] - [ -0.0010461700000000, -0.0009040900000000, 0.0019711700000000 ] - [ 0.0001437900000000, -0.0009005400000000, 0.0002584300000000 ] - [ 0.0011484800000000, 0.0012244500000000, -0.0003849600000000 ] - [ 0.0009195900000000, 0.0012242200000000, -0.0006339700000000 ] - [ 0.0004142700000000, 0.0001854900000000, -0.0014357300000000 ] - [ 0.0013299400000000, 0.0001881900000000, -0.0017547400000000 ] - [ 0.0003425300000000, 0.0001990700000000, 0.0008882000000000 ] - [ -0.0009172700000000, 0.0001996100000000, 0.0025964400000000 ] - [ -0.0012833500000000, 0.0023274100000000, 0.0015729100000000 ] - [ -0.0005155300000000, 0.0008483400000000, 0.0004495300000000 ] - [ 0.0007254000000000, -0.0013394600000000, 0.0001315400000000 ] - [ -0.0001154700000000, -0.0013233400000000, -0.0006799600000000 ] - [ 0.0024256400000000, -0.0015896300000000, 0.0059743400000000 ] - [ -0.0008150700000000, -0.0015886300000000, 0.0007059200000000 ] - [ 0.0000483700000000, 0.0009167100000000, -0.0000269400000000 ] - [ -0.0001344400000000, 0.0009239400000000, 0.0000649600000000 ] - [ 0.0002867000000000, -0.0004782100000000, 0.0001314000000000 ] - [ 0.0003447400000000, -0.0004721600000000, 0.0000245500000000 ] - [ -0.0002527500000000, 0.0006038700000000, 0.0000715100000000 ] - [ -0.0000829400000000, 0.0004913300000000, -0.0001203500000000 ] - [ 0.0004055900000000, 0.0021811800000000, -0.0014442800000000 ] - [ 0.0021911800000000, 0.0020932700000000, -0.0012325900000000 ] - [ 0.0070749400000000, 0.0015464400000000, 0.0016187700000000 ] - [ -0.0082296700000000, 0.0004237600000000, 0.0071803600000000 ] - [ -0.0007911600000000, -0.0005538900000000, -0.0011517700000000 ] - [ -0.0005356600000000, -0.0005380200000000, -0.0007093100000000 ] - [ -0.0001407700000000, 0.0000547700000000, -0.0001089600000000 ] - [ -0.0002459600000000, 0.0000824500000000, -0.0001483500000000 ] - [ -0.0109721100000000, 0.0214164300000000, 0.0103225900000000 ] - [ 0.0008700600000000, -0.0002042100000000, 0.0003155700000000 ] - [ 0.0011822300000000, 0.0001764100000000, -0.0016292900000000 ] - [ -0.0146631600000000, 0.0137042300000000, -0.0091361200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014668100000000, -0.0019639000000000, -0.0028372200000000 ] - [ 0.0002667900000000, -0.0013603600000000, -0.0009363700000000 ] - [ 0.0006433700000000, 0.0017427300000000, 0.0012344000000000 ] - [ -0.0005824900000000, 0.0019798400000000, 0.0008289800000000 ] - [ 0.0006889900000000, -0.0217948100000000, -0.0086247100000000 ] - [ -0.0035474300000000, -0.0065882700000000, 0.0015041000000000 ] - [ 0.0003698000000000, 0.0058000900000000, -0.0012043800000000 ] - [ -0.0005487000000000, 0.0045145300000000, -0.0000216800000000 ] - [ 0.0149996900000000, -0.0299311100000000, -0.0035311500000000 ] - [ -0.0011235700000000, -0.0036200900000000, 0.0017965300000000 ] - [ 0.0065172200000000, 0.0101105100000000, -0.0037816300000000 ] - [ -0.0037539500000000, 0.0076661900000000, 0.0016980600000000 ] - [ 0.0001313900000000, 0.0007572500000000, 0.0011855000000000 ] - [ -0.0001200100000000, 0.0002506400000000, 0.0003664600000000 ] - [ 0.0002981300000000, -0.0019158900000000, -0.0000657300000000 ] - [ -0.0003604000000000, -0.0017797800000000, -0.0003503700000000 ] - [ 0.0020419500000000, 0.0032653200000000, 0.0090735000000000 ] - [ -0.0004007500000000, -0.0001412700000000, 0.0013946300000000 ] - [ 0.0036679100000000, 0.0014392700000000, -0.0039768200000000 ] - [ -0.0033802300000000, -0.0014673900000000, -0.0062957600000000 ] - [ -0.0000795000000000, -0.0002028400000000, 0.0001369400000000 ] - [ -0.0001618300000000, -0.0002122000000000, 0.0001207400000000 ] - [ -0.0000425100000000, -0.0003369700000000, 0.0007351400000000 ] - [ -0.0002858000000000, -0.0002314500000000, 0.0005576000000000 ] - [ 0.0026042700000000, -0.0093972900000000, -0.0009704600000000 ] - [ -0.0025952900000000, -0.0031197000000000, 0.0031785100000000 ] - [ 0.0002302500000000, 0.0036285500000000, -0.0001134000000000 ] - [ -0.0012209400000000, 0.0032567000000000, -0.0001124800000000 ] - [ -0.0052562700000000, 0.0045396700000000, -0.0048427200000000 ] - [ 0.0070192800000000, 0.0038409200000000, -0.0096034900000000 ] - [ 0.0013811300000000, 0.0029078700000000, 0.0016497700000000 ] - [ -0.0030465200000000, 0.0062769200000000, 0.0085478700000000 ] - [ -0.0000344500000000, -0.0013210700000000, 0.0005407100000000 ] - [ 0.0002360700000000, -0.0012309400000000, 0.0003883900000000 ] - [ 0.0001102000000000, 0.0004802000000000, 0.0002942400000000 ] - [ 0.0002682100000000, 0.0006262000000000, 0.0002671100000000 ] - [ -0.0005611700000000, -0.0009265500000000, 0.0014588800000000 ] - [ 0.0007368800000000, -0.0014758300000000, 0.0009353700000000 ] - [ -0.0001714400000000, 0.0000804100000000, -0.0004906600000000 ] - [ -0.0000273600000000, 0.0001995900000000, -0.0007646500000000 ] - [ -0.0059447800000000, 0.0079405100000000, -0.0027098600000000 ] - [ 0.0050924500000000, 0.0100850500000000, 0.0034094800000000 ] - [ 0.0009167400000000, -0.0063072500000000, -0.0040727800000000 ] - [ 0.0137401900000000, -0.0267669900000000, 0.0066875300000000 ] - [ 0.0000592800000000, 0.0018754500000000, -0.0012328600000000 ] - [ -0.0001819500000000, 0.0016176900000000, -0.0012019800000000 ] - [ -0.0009166100000000, -0.0017697500000000, 0.0034564800000000 ] - [ 0.0006234700000000, 0.0000961100000000, 0.0013808900000000 ] - [ 0.0004514800000000, 0.0002130400000000, 0.0008389000000000 ] - [ 0.0004899800000000, 0.0003603400000000, 0.0006988500000000 ] - [ 0.0000457500000000, -0.0000836300000000, -0.0003292700000000 ] - [ 0.0002410500000000, 0.0000390700000000, 0.0000751700000000 ] - [ -0.0041709200000000, 0.0000257400000000, -0.0097334900000000 ] - [ 0.0011949400000000, 0.0001858000000000, 0.0001631000000000 ] - [ 0.0005832500000000, -0.0018555100000000, 0.0019879300000000 ] - [ 0.0025646200000000, -0.0022049900000000, 0.0017949100000000 ] - [ -0.0002397700000000, 0.0010995800000000, -0.0001570100000000 ] - [ 0.0007288900000000, 0.0006412900000000, -0.0007389200000000 ] - [ -0.0005128200000000, -0.0007875000000000, 0.0002612300000000 ] - [ -0.0001654900000000, -0.0005514900000000, 0.0001173900000000 ] - [ 0.0001592700000000, -0.0017312300000000, 0.0014614300000000 ] - [ 0.0011518100000000, -0.0022055000000000, 0.0010435900000000 ] - [ -0.0001271400000000, 0.0002520600000000, -0.0050034000000000 ] - [ -0.0003510300000000, 0.0004562500000000, -0.0006550800000000 ] - [ -0.0655556600000000, 0.1329711100000000, 0.0090446900000000 ] - [ 0.0009026300000000, 0.0019554400000000, 0.0004801600000000 ] - [ 0.0011869500000000, -0.0053055400000000, -0.0002393000000000 ] - [ 0.0026154400000000, -0.0034549300000000, -0.0000670900000000 ] - [ 0.0000524300000000, -0.0001947200000000, -0.0005734900000000 ] - [ 0.0002155500000000, -0.0001189800000000, -0.0002993700000000 ] - [ 0.0003729100000000, 0.0004300500000000, -0.0002556800000000 ] - [ 0.0004906800000000, 0.0004017500000000, -0.0001355700000000 ] - [ -0.0085880500000000, -0.0204177900000000, 0.0021424400000000 ] - [ 0.0012651500000000, 0.0000813700000000, -0.0004975200000000 ] - [ -0.0001438800000000, -0.0207190500000000, -0.0021671000000000 ] - [ 0.0005947500000000, 0.0000951300000000, 0.0001373300000000 ] - [ -0.0004217400000000, 0.0004325500000000, -0.0004062400000000 ] - [ -0.0002139100000000, 0.0003751700000000, -0.0005925400000000 ] - [ -0.0002574200000000, -0.0002082700000000, -0.0000872500000000 ] - [ -0.0001916500000000, -0.0001786600000000, -0.0001461800000000 ] - [ 0.0016315400000000, 0.0005098400000000, 0.0074848100000000 ] - [ 0.0017625600000000, 0.0020264300000000, 0.0009712900000000 ] - [ -0.0016114500000000, -0.0024351500000000, -0.0011499700000000 ] - [ -0.0004510600000000, -0.0012716100000000, -0.0002334800000000 ] - [ -0.0009314900000000, -0.0003479300000000, -0.0020791900000000 ] - [ 0.0002473400000000, -0.0002225700000000, -0.0003847400000000 ] - [ 0.0001918100000000, 0.0000066800000000, 0.0014669500000000 ] - [ 0.0008497100000000, 0.0002350800000000, 0.0014203400000000 ] - [ -0.0008974600000000, 0.0014540800000000, 0.0006309300000000 ] - [ -0.0008662800000000, 0.0009587100000000, 0.0003469400000000 ] - [ -0.0000592000000000, -0.0005251600000000, 0.0003905500000000 ] - [ 0.0000373300000000, -0.0004952600000000, 0.0004701700000000 ] - [ -0.0019548600000000, -0.0028113300000000, -0.0005319000000000 ] - [ 0.0005437500000000, -0.0015733700000000, -0.0005670100000000 ] - [ -0.0019299700000000, 0.0014718600000000, 0.0120841000000000 ] - [ 0.0012530200000000, 0.0018642400000000, 0.0009826100000000 ] - [ 0.0004861900000000, -0.0005769800000000, -0.0003536300000000 ] - [ 0.0003896800000000, -0.0005653700000000, -0.0002446100000000 ] - [ 0.0003853000000000, -0.0000014800000000, -0.0011372900000000 ] - [ 0.0005933800000000, 0.0001516900000000, -0.0014432800000000 ] - [ 0.0076678700000000, 0.0082718000000000, -0.0044391200000000 ] - [ 0.0021467100000000, 0.0083789400000000, 0.0012246100000000 ] - [ -0.0011291500000000, -0.0037083200000000, -0.0000711600000000 ] - [ -0.0012485400000000, -0.0037112800000000, -0.0009662600000000 ] - [ 0.0180704700000000, -0.0043666700000000, 0.0134532400000000 ] - [ -0.0038089000000000, 0.0021937300000000, 0.0001288700000000 ] - [ -0.0004750500000000, -0.0020332400000000, -0.0007700900000000 ] - [ 0.0021217400000000, -0.0032002900000000, -0.0003334500000000 ] - [ -0.0001384200000000, -0.0000613100000000, -0.0004323400000000 ] - [ -0.0002343600000000, -0.0000765300000000, -0.0002554100000000 ] - [ -0.0002043400000000, 0.0001610500000000, -0.0002451000000000 ] - [ -0.0000813400000000, 0.0001599300000000, -0.0001372900000000 ] - [ 0.0016655200000000, 0.0011106300000000, -0.0016226700000000 ] - [ 0.0004883600000000, 0.0011141500000000, 0.0000834400000000 ] - [ -0.0005186000000000, -0.0010041900000000, 0.0007265000000000 ] - [ -0.0002886900000000, -0.0010044300000000, 0.0009797000000000 ] - [ 0.0002288300000000, -0.0004182900000000, 0.0017636700000000 ] - [ -0.0006962700000000, -0.0004093800000000, 0.0020825100000000 ] - [ 0.0002875000000000, -0.0003985300000000, -0.0005508100000000 ] - [ 0.0015463800000000, -0.0004042300000000, -0.0022718400000000 ] - [ 0.0006505500000000, -0.0021045900000000, -0.0012233200000000 ] - [ -0.0001107400000000, -0.0006350000000000, -0.0001066400000000 ] - [ -0.0013575500000000, 0.0015565800000000, 0.0002081400000000 ] - [ -0.0005108900000000, 0.0015405900000000, 0.0010204600000000 ] - [ -0.0029665300000000, 0.0013070100000000, -0.0054796200000000 ] - [ 0.0001762900000000, 0.0013719700000000, -0.0003703900000000 ] - [ -0.0006825300000000, -0.0011301600000000, 0.0003541900000000 ] - [ -0.0004973200000000, -0.0011379600000000, 0.0002641200000000 ] - [ -0.0000516700000000, 0.0005545500000000, -0.0003625700000000 ] - [ -0.0001089300000000, 0.0005477400000000, -0.0002569900000000 ] - [ 0.0004874800000000, -0.0005242600000000, -0.0003061600000000 ] - [ 0.0003187100000000, -0.0004128200000000, -0.0001150100000000 ] - [ -0.0001709500000000, -0.0022633700000000, 0.0011864400000000 ] - [ -0.0019399400000000, -0.0021771300000000, 0.0009700500000000 ] - [ -0.0067777700000000, -0.0015519600000000, -0.0019035700000000 ] - [ 0.0085100800000000, -0.0004832500000000, -0.0074771400000000 ] - [ -0.0000172800000000, 0.0000719600000000, 0.0001112000000000 ] - [ -0.0002793500000000, 0.0000603900000000, -0.0003488900000000 ] - [ -0.0006720600000000, -0.0005247900000000, -0.0009509800000000 ] - [ -0.0005657600000000, -0.0005532100000000, -0.0009116400000000 ] - [ 0.0100724700000000, -0.0207225900000000, -0.0113115900000000 ] - [ -0.0016674300000000, 0.0006618400000000, -0.0013743300000000 ] - [ -0.0020086400000000, 0.0003145100000000, 0.0005625500000000 ] - [ 0.0138992000000000, -0.0133264100000000, 0.0081018400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011053300000000, 0.0082916800000000, -0.0097128600000000 ] - [ -0.0000684400000000, 0.0017641300000000, -0.0012810600000000 ] - [ 0.0001242000000000, -0.0020315700000000, -0.0013328900000000 ] - [ 0.0001635600000000, -0.0009849800000000, -0.0008286400000000 ] - [ 0.0137943800000000, 0.0116057000000000, 0.0394925400000000 ] - [ 0.0002036600000000, 0.0002603200000000, 0.0039774200000000 ] - [ -0.0001830900000000, 0.0003204500000000, 0.0030841700000000 ] - [ -0.0000957700000000, 0.0005718100000000, 0.0027367500000000 ] - [ -0.0061558300000000, 0.0125004600000000, 0.0237453900000000 ] - [ -0.0037593300000000, -0.0026774200000000, 0.0076585700000000 ] - [ 0.0006527100000000, 0.0010097500000000, 0.0042579900000000 ] - [ -0.0021966700000000, 0.0033290500000000, 0.0055083600000000 ] - [ 0.0000904900000000, -0.0009312100000000, -0.0031250600000000 ] - [ -0.0000074800000000, -0.0007044700000000, -0.0022591900000000 ] - [ 0.0008796400000000, -0.0003774500000000, -0.0045522800000000 ] - [ -0.0004291200000000, -0.0005874700000000, -0.0041336800000000 ] - [ 0.0000551600000000, -0.0046977600000000, -0.0060664000000000 ] - [ -0.0002468700000000, -0.0016817900000000, -0.0007857600000000 ] - [ 0.0055321600000000, 0.0055907800000000, -0.0036751400000000 ] - [ -0.0027073600000000, 0.0006919400000000, -0.0036054100000000 ] - [ 0.0001213900000000, 0.0011935900000000, -0.0039293700000000 ] - [ -0.0001630400000000, 0.0003042100000000, -0.0025997400000000 ] - [ 0.0001551700000000, -0.0009301500000000, -0.0040374500000000 ] - [ -0.0000073700000000, -0.0007049400000000, -0.0033260500000000 ] - [ -0.0043561700000000, -0.0035377700000000, -0.0094819400000000 ] - [ 0.0024538000000000, -0.0003368100000000, -0.0039813100000000 ] - [ -0.0005252200000000, 0.0001108400000000, -0.0008172100000000 ] - [ 0.0002488900000000, -0.0004439100000000, -0.0005027300000000 ] - [ -0.0034019400000000, 0.0048555000000000, 0.0027605700000000 ] - [ 0.0056573300000000, 0.0096544500000000, 0.0063794900000000 ] - [ -0.0031265900000000, -0.0044133400000000, 0.0013142700000000 ] - [ 0.0035988800000000, -0.0053898600000000, 0.0070688500000000 ] - [ -0.0009358200000000, -0.0000958900000000, -0.0046255100000000 ] - [ 0.0006959900000000, 0.0004362000000000, -0.0045923600000000 ] - [ -0.0000634200000000, -0.0002214300000000, -0.0024389300000000 ] - [ 0.0001874300000000, -0.0002362700000000, -0.0023642100000000 ] - [ 0.0001426400000000, -0.0009271300000000, -0.0035238300000000 ] - [ -0.0004650400000000, -0.0010701800000000, -0.0040995800000000 ] - [ -0.0000146000000000, -0.0003696800000000, -0.0028892000000000 ] - [ -0.0004162300000000, 0.0001305900000000, -0.0033039900000000 ] - [ 0.0032063700000000, -0.0020310000000000, 0.0053401800000000 ] - [ -0.0008413800000000, -0.0010350700000000, 0.0033459400000000 ] - [ 0.0000999700000000, 0.0044822700000000, 0.0119663500000000 ] - [ 0.0093568700000000, -0.0066263400000000, 0.0230165200000000 ] - [ 0.0007601500000000, 0.0017169300000000, -0.0006727200000000 ] - [ -0.0008620000000000, 0.0016885000000000, -0.0011576300000000 ] - [ 0.0047846100000000, -0.0004098600000000, -0.0073711900000000 ] - [ -0.0066452400000000, -0.0055170000000000, -0.0047217000000000 ] - [ -0.0003826200000000, -0.0021260800000000, 0.0027219300000000 ] - [ 0.0006822900000000, -0.0002678600000000, 0.0015517400000000 ] - [ 0.0012375000000000, 0.0014464700000000, 0.0029512600000000 ] - [ 0.0020254600000000, 0.0014822400000000, 0.0022145900000000 ] - [ 0.0008213400000000, 0.0040331300000000, 0.0067604400000000 ] - [ -0.0002031700000000, 0.0006589600000000, 0.0001935900000000 ] - [ 0.0001504100000000, -0.0015408700000000, -0.0004410900000000 ] - [ 0.0012723600000000, -0.0012394800000000, 0.0002333500000000 ] - [ -0.0009949000000000, 0.0002449200000000, 0.0032184800000000 ] - [ -0.0006818400000000, 0.0003170300000000, 0.0018642300000000 ] - [ -0.0002831400000000, 0.0000237800000000, 0.0009928900000000 ] - [ -0.0004451400000000, 0.0000096400000000, 0.0010238500000000 ] - [ 0.0000212000000000, -0.0011673500000000, -0.0007143900000000 ] - [ 0.0006844600000000, -0.0011688900000000, -0.0003085900000000 ] - [ -0.0088028100000000, 0.0103878700000000, 0.0096599500000000 ] - [ 0.0015291100000000, 0.0002816000000000, -0.0007417900000000 ] - [ -0.0459376700000000, -0.0102200100000000, -0.1304507400000000 ] - [ 0.0004752700000000, -0.0007555600000000, -0.0032859600000000 ] - [ -0.0001894800000000, -0.0000427000000000, -0.0019408400000000 ] - [ -0.0003012300000000, -0.0002133500000000, -0.0021864900000000 ] - [ 0.0005122500000000, -0.0002998900000000, 0.0014624900000000 ] - [ 0.0006534200000000, -0.0000258100000000, 0.0010664900000000 ] - [ 0.0008022100000000, 0.0000168400000000, 0.0019654400000000 ] - [ 0.0010804900000000, 0.0001364700000000, 0.0018574400000000 ] - [ 0.0030929500000000, 0.0018136900000000, -0.0069076900000000 ] - [ 0.0008360900000000, -0.0004209000000000, -0.0032060000000000 ] - [ -0.0018223600000000, -0.0023829300000000, -0.0068957600000000 ] - [ 0.0014390400000000, 0.0002138900000000, -0.0032027400000000 ] - [ -0.0008851000000000, -0.0001332100000000, 0.0019103300000000 ] - [ -0.0004620000000000, -0.0003182600000000, 0.0015733500000000 ] - [ -0.0008919300000000, 0.0001842000000000, 0.0014921500000000 ] - [ -0.0007811500000000, 0.0001264000000000, 0.0012843900000000 ] - [ -0.0028492700000000, -0.0121583500000000, 0.0110124100000000 ] - [ 0.0008204800000000, -0.0001619600000000, -0.0003806500000000 ] - [ 0.0003086100000000, 0.0013450000000000, -0.0006470100000000 ] - [ 0.0010099100000000, 0.0009343700000000, -0.0000648800000000 ] - [ 0.0007013900000000, 0.0006280300000000, 0.0021728500000000 ] - [ 0.0003018400000000, 0.0002892400000000, 0.0010997000000000 ] - [ 0.0003886000000000, -0.0005719700000000, 0.0026448500000000 ] - [ 0.0009610700000000, -0.0001108200000000, 0.0018541100000000 ] - [ -0.0022066200000000, 0.0004561400000000, 0.0037019800000000 ] - [ 0.0007045600000000, -0.0005021300000000, 0.0024068500000000 ] - [ -0.0008370600000000, 0.0002855000000000, 0.0014423400000000 ] - [ -0.0006211500000000, 0.0001676700000000, 0.0014530800000000 ] - [ 0.0007405500000000, 0.0009204700000000, -0.0001280800000000 ] - [ -0.0007054400000000, 0.0001859600000000, 0.0002663700000000 ] - [ 0.0005693100000000, -0.0066254000000000, 0.0144367200000000 ] - [ 0.0002846200000000, -0.0009083800000000, -0.0009058600000000 ] - [ 0.0004295300000000, -0.0006575900000000, 0.0004024200000000 ] - [ 0.0000995700000000, -0.0004407200000000, 0.0004338300000000 ] - [ 0.0001314100000000, 0.0003101300000000, 0.0021600400000000 ] - [ -0.0006415300000000, -0.0001700900000000, 0.0020558000000000 ] - [ -0.0095561600000000, -0.0018727100000000, 0.0022259700000000 ] - [ 0.0101853100000000, 0.0040442900000000, 0.0026024000000000 ] - [ 0.0004484500000000, 0.0007844300000000, -0.0014178700000000 ] - [ 0.0005521800000000, -0.0001902400000000, -0.0014181800000000 ] - [ 0.0105492700000000, -0.0125610200000000, -0.0075471200000000 ] - [ -0.0032895000000000, -0.0006446700000000, -0.0037680000000000 ] - [ -0.0011973400000000, 0.0009606000000000, -0.0021109100000000 ] - [ -0.0016235700000000, 0.0005519700000000, -0.0026787300000000 ] - [ 0.0003899300000000, -0.0000932300000000, 0.0016561000000000 ] - [ 0.0005175400000000, 0.0001709500000000, 0.0013693600000000 ] - [ 0.0002176400000000, -0.0001737800000000, 0.0018822200000000 ] - [ 0.0004016300000000, -0.0000709000000000, 0.0017208800000000 ] - [ -0.0007425000000000, 0.0001949100000000, 0.0021992900000000 ] - [ 0.0012412900000000, 0.0019041500000000, 0.0022002400000000 ] - [ -0.0008467500000000, -0.0007004500000000, 0.0014471100000000 ] - [ -0.0000941500000000, -0.0004478600000000, 0.0014449200000000 ] - [ 0.0020558700000000, -0.0025317100000000, -0.0001468800000000 ] - [ -0.0000283300000000, -0.0008258400000000, 0.0001288300000000 ] - [ 0.0006242000000000, 0.0018016700000000, 0.0001268700000000 ] - [ -0.0009994200000000, 0.0014836900000000, -0.0001467800000000 ] - [ -0.0006682900000000, 0.0015065500000000, 0.0019559500000000 ] - [ -0.0000451300000000, 0.0003855100000000, 0.0009849800000000 ] - [ -0.0005646500000000, 0.0000700100000000, 0.0021308900000000 ] - [ 0.0019525000000000, -0.0007438100000000, 0.0028774300000000 ] - [ 0.0116111500000000, -0.0057950500000000, 0.0239426600000000 ] - [ -0.0019458100000000, -0.0006426800000000, -0.0001287300000000 ] - [ -0.0003917600000000, 0.0000811900000000, -0.0003199600000000 ] - [ -0.0005450000000000, -0.0000090400000000, -0.0003368100000000 ] - [ -0.0006136500000000, 0.0001212800000000, 0.0020361900000000 ] - [ -0.0004291700000000, -0.0001219200000000, 0.0020223100000000 ] - [ -0.0003240700000000, 0.0000087400000000, 0.0012973300000000 ] - [ -0.0001980900000000, -0.0001408000000000, 0.0011980400000000 ] - [ 0.0006399400000000, -0.0007229000000000, -0.0026281100000000 ] - [ 0.0003818000000000, -0.0010397700000000, -0.0023874700000000 ] - [ 0.0120585200000000, 0.0085735700000000, -0.0085168500000000 ] - [ -0.0002975600000000, 0.0015373400000000, -0.0067077000000000 ] - [ 0.0007008700000000, -0.0012539700000000, 0.0034048400000000 ] - [ -0.0003660200000000, -0.0007003000000000, 0.0007446100000000 ] - [ -0.0000292900000000, 0.0000780400000000, 0.0005771600000000 ] - [ -0.0000737800000000, 0.0000007600000000, 0.0004622600000000 ] - [ -0.0067350000000000, 0.0112056200000000, 0.0060371500000000 ] - [ -0.0001590900000000, 0.0010048300000000, -0.0013906500000000 ] - [ -0.0017978600000000, -0.0007722100000000, -0.0029765300000000 ] - [ 0.0087953600000000, -0.0082227200000000, 0.0049597900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008598600000000, -0.0077989600000000, 0.0096106800000000 ] - [ 0.0003262100000000, -0.0012052200000000, 0.0010999500000000 ] - [ 0.0001306100000000, 0.0026292700000000, 0.0011616500000000 ] - [ 0.0000932400000000, 0.0015675700000000, 0.0006515900000000 ] - [ -0.0159688900000000, -0.0110947400000000, -0.0427192400000000 ] - [ -0.0001560900000000, 0.0009559900000000, -0.0040426900000000 ] - [ 0.0001799700000000, 0.0008945800000000, -0.0031194900000000 ] - [ 0.0000990400000000, 0.0006414100000000, -0.0027619100000000 ] - [ 0.0053659200000000, -0.0111376100000000, -0.0235219800000000 ] - [ 0.0035340000000000, 0.0032571800000000, -0.0074838400000000 ] - [ -0.0009485400000000, -0.0004637700000000, -0.0040806000000000 ] - [ 0.0019631100000000, -0.0027787900000000, -0.0053632600000000 ] - [ -0.0000910900000000, -0.0002804800000000, 0.0031406800000000 ] - [ 0.0000071100000000, -0.0005063400000000, 0.0022733900000000 ] - [ -0.0008798700000000, -0.0008340800000000, 0.0045703600000000 ] - [ 0.0004282000000000, -0.0006229400000000, 0.0041530000000000 ] - [ 0.0002173300000000, 0.0041151300000000, 0.0059233800000000 ] - [ 0.0005021900000000, 0.0011127600000000, 0.0006347900000000 ] - [ -0.0052679100000000, -0.0061522300000000, 0.0035244900000000 ] - [ 0.0029758800000000, -0.0012530800000000, 0.0034788400000000 ] - [ -0.0003778000000000, -0.0017775700000000, 0.0041188900000000 ] - [ -0.0000930400000000, -0.0008798000000000, 0.0027767900000000 ] - [ -0.0004130700000000, 0.0003687700000000, 0.0042294600000000 ] - [ -0.0002496000000000, 0.0001406400000000, 0.0035108600000000 ] - [ 0.0040740200000000, 0.0029754700000000, 0.0093409600000000 ] - [ -0.0027127500000000, -0.0002367400000000, 0.0038370900000000 ] - [ 0.0002680600000000, -0.0006812200000000, 0.0006676500000000 ] - [ -0.0005031700000000, -0.0001246800000000, 0.0003517600000000 ] - [ 0.0034100800000000, -0.0036484800000000, -0.0028004800000000 ] - [ -0.0056907000000000, -0.0084559400000000, -0.0065116400000000 ] - [ 0.0031500800000000, 0.0056585900000000, -0.0013325400000000 ] - [ -0.0036347500000000, 0.0066285400000000, -0.0071930900000000 ] - [ 0.0012026200000000, -0.0004775900000000, 0.0048209300000000 ] - [ -0.0004479700000000, -0.0010139200000000, 0.0047864100000000 ] - [ 0.0003218900000000, -0.0003469900000000, 0.0026165300000000 ] - [ 0.0000663200000000, -0.0003324600000000, 0.0025408700000000 ] - [ -0.0001403700000000, -0.0002846000000000, 0.0035422700000000 ] - [ 0.0004640800000000, -0.0001431500000000, 0.0041154500000000 ] - [ 0.0000177100000000, -0.0008392900000000, 0.0029050900000000 ] - [ 0.0004135200000000, -0.0013377700000000, 0.0033205300000000 ] - [ -0.0029671100000000, 0.0026134400000000, -0.0051910200000000 ] - [ 0.0011224100000000, 0.0016358000000000, -0.0031635900000000 ] - [ 0.0001486900000000, -0.0039356000000000, -0.0118512400000000 ] - [ -0.0083775300000000, 0.0065265100000000, -0.0227777000000000 ] - [ -0.0010258100000000, -0.0011567300000000, 0.0004936800000000 ] - [ 0.0006145800000000, -0.0011267600000000, 0.0009820000000000 ] - [ -0.0050999800000000, 0.0009827300000000, 0.0072625800000000 ] - [ 0.0064621500000000, 0.0061442200000000, 0.0045820300000000 ] - [ 0.0012061100000000, 0.0026218100000000, -0.0016736900000000 ] - [ 0.0001300700000000, 0.0007444700000000, -0.0004910900000000 ] - [ -0.0004295900000000, -0.0009857800000000, -0.0019075200000000 ] - [ -0.0012267600000000, -0.0010219900000000, -0.0011614300000000 ] - [ -0.0000053000000000, -0.0044655600000000, -0.0056471800000000 ] - [ 0.0010148100000000, -0.0011334900000000, 0.0008613000000000 ] - [ 0.0006643300000000, 0.0010654100000000, 0.0014921200000000 ] - [ -0.0004666300000000, 0.0007716200000000, 0.0008221800000000 ] - [ 0.0007616500000000, -0.0001673500000000, -0.0029892200000000 ] - [ 0.0004483000000000, -0.0002397300000000, -0.0016363200000000 ] - [ 0.0000483900000000, 0.0000533500000000, -0.0007622400000000 ] - [ 0.0002093900000000, 0.0000677000000000, -0.0007921800000000 ] - [ -0.0002597000000000, 0.0010951000000000, 0.0009697800000000 ] - [ -0.0009253100000000, 0.0010876900000000, 0.0005611800000000 ] - [ 0.0086911400000000, -0.0106251300000000, -0.0095510900000000 ] - [ -0.0017915600000000, -0.0003573800000000, 0.0010047200000000 ] - [ 0.0486989900000000, 0.0105590000000000, 0.1334738100000000 ] - [ 0.0001455900000000, 0.0005468300000000, 0.0029540800000000 ] - [ 0.0008272400000000, -0.0001735100000000, 0.0016152400000000 ] - [ 0.0009335700000000, -0.0000005100000000, 0.0018606600000000 ] - [ 0.0001180100000000, 0.0005190300000000, -0.0018080800000000 ] - [ -0.0000249400000000, 0.0002420200000000, -0.0014099800000000 ] - [ -0.0001738700000000, 0.0001991400000000, -0.0023132800000000 ] - [ -0.0004544000000000, 0.0000782900000000, -0.0022055500000000 ] - [ -0.0037507200000000, -0.0021531100000000, 0.0065760700000000 ] - [ -0.0014727200000000, 0.0002042200000000, 0.0028789000000000 ] - [ 0.0011816700000000, 0.0022821200000000, 0.0065881500000000 ] - [ -0.0020898700000000, -0.0004346800000000, 0.0028822300000000 ] - [ 0.0002574200000000, 0.0003510900000000, -0.0022580400000000 ] - [ -0.0001697700000000, 0.0005377100000000, -0.0019195500000000 ] - [ 0.0002655800000000, 0.0000287400000000, -0.0018382200000000 ] - [ 0.0001532600000000, 0.0000879400000000, -0.0016291400000000 ] - [ 0.0031377400000000, 0.0122555700000000, -0.0109027000000000 ] - [ -0.0005907700000000, 0.0000821100000000, 0.0006389900000000 ] - [ -0.0000656200000000, -0.0014336400000000, 0.0009040500000000 ] - [ -0.0007765400000000, -0.0010199900000000, 0.0003123600000000 ] - [ -0.0004677000000000, -0.0005492500000000, -0.0019418100000000 ] - [ -0.0000675500000000, -0.0002113200000000, -0.0008685800000000 ] - [ -0.0001525000000000, 0.0006482200000000, -0.0024086500000000 ] - [ -0.0007274400000000, 0.0001876100000000, -0.0016253100000000 ] - [ 0.0014089400000000, 0.0000164100000000, -0.0026611600000000 ] - [ -0.0015332800000000, 0.0009843700000000, -0.0013534900000000 ] - [ 0.0000263900000000, 0.0001858000000000, -0.0003817900000000 ] - [ -0.0001921700000000, 0.0003048800000000, -0.0003924200000000 ] - [ -0.0015543900000000, -0.0013952000000000, 0.0011801800000000 ] - [ -0.0001049100000000, -0.0006613300000000, 0.0007904500000000 ] - [ -0.0013522200000000, 0.0060651900000000, -0.0132609800000000 ] - [ -0.0011043400000000, 0.0004341900000000, 0.0019736600000000 ] - [ 0.0003813900000000, 0.0001873900000000, -0.0014665300000000 ] - [ 0.0007153600000000, -0.0000319900000000, -0.0014984200000000 ] - [ 0.0006822900000000, -0.0007893600000000, -0.0032428700000000 ] - [ 0.0014638100000000, -0.0003043700000000, -0.0031363600000000 ] - [ 0.0103636300000000, 0.0023559100000000, -0.0033088300000000 ] - [ -0.0093302300000000, -0.0035777200000000, -0.0036892100000000 ] - [ 0.0003715800000000, -0.0003117300000000, 0.0003505200000000 ] - [ 0.0002583800000000, 0.0006582900000000, 0.0003481000000000 ] - [ -0.0107807300000000, 0.0125088900000000, 0.0074332300000000 ] - [ 0.0030258500000000, 0.0005501600000000, 0.0035551800000000 ] - [ 0.0009708400000000, -0.0010449900000000, 0.0018851900000000 ] - [ 0.0013902600000000, -0.0006267700000000, 0.0024551000000000 ] - [ -0.0006305200000000, 0.0001728700000000, -0.0019072200000000 ] - [ -0.0007560200000000, -0.0000919200000000, -0.0016171900000000 ] - [ -0.0004592900000000, 0.0002512100000000, -0.0021348800000000 ] - [ -0.0006415400000000, 0.0001490600000000, -0.0019716700000000 ] - [ 0.0013747700000000, 0.0000199200000000, -0.0018747800000000 ] - [ -0.0006063900000000, -0.0016896600000000, -0.0018737700000000 ] - [ 0.0014778300000000, 0.0009131900000000, -0.0011187700000000 ] - [ 0.0007285000000000, 0.0006636100000000, -0.0011209600000000 ] - [ -0.0014446500000000, 0.0023365100000000, 0.0004971000000000 ] - [ 0.0006611500000000, 0.0006131000000000, 0.0002174700000000 ] - [ 0.0000010900000000, -0.0020357000000000, 0.0002155000000000 ] - [ 0.0016417400000000, -0.0017158700000000, 0.0004971400000000 ] - [ 0.0000340200000000, -0.0012896800000000, -0.0016278400000000 ] - [ -0.0005877800000000, -0.0001706800000000, -0.0006578000000000 ] - [ -0.0000701400000000, 0.0001466000000000, -0.0018044200000000 ] - [ -0.0025817300000000, 0.0009565500000000, -0.0025530700000000 ] - [ -0.0123814000000000, 0.0056596600000000, -0.0239263600000000 ] - [ 0.0013333600000000, 0.0004335700000000, 0.0004810600000000 ] - [ -0.0002373800000000, -0.0003000900000000, 0.0006650100000000 ] - [ -0.0000825000000000, -0.0002082800000000, 0.0006816100000000 ] - [ 0.0008530300000000, -0.0000424400000000, -0.0022884200000000 ] - [ 0.0006707600000000, 0.0002010400000000, -0.0022747500000000 ] - [ 0.0005629200000000, 0.0000694300000000, -0.0015450300000000 ] - [ 0.0004379200000000, 0.0002184800000000, -0.0014460300000000 ] - [ -0.0004037100000000, 0.0006440200000000, 0.0024000500000000 ] - [ -0.0001489800000000, 0.0009653600000000, 0.0021649000000000 ] - [ -0.0118921300000000, -0.0087177800000000, 0.0084290100000000 ] - [ 0.0004747100000000, -0.0015812300000000, 0.0065278100000000 ] - [ -0.0015232200000000, 0.0007897600000000, -0.0044960800000000 ] - [ -0.0004451200000000, 0.0002312000000000, -0.0018101100000000 ] - [ -0.0007870000000000, -0.0005558000000000, -0.0016437300000000 ] - [ -0.0007414200000000, -0.0004771200000000, -0.0015274000000000 ] - [ 0.0059628200000000, -0.0108097800000000, -0.0071037300000000 ] - [ -0.0006623100000000, -0.0005329600000000, 0.0003202200000000 ] - [ 0.0009933500000000, 0.0012443500000000, 0.0019115300000000 ] - [ -0.0096883100000000, 0.0087660600000000, -0.0060292700000000 ]