# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/31a98b8d-8c08-44af-916f-ed7b9c119966/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 MoCl2 / Cmce (64) / materials id 620029](https://mdr.nims.go.jp/datasets/2cd41513-76a7-4f31-8645-92103dec1fc2) ## 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: "Cmce" number: 64 Hall_symbol: "-C 2bc 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.325446990000000, -5.641550605000000, 0.000000000000000 ] # a - [ 7.325446990000000, 5.641550605000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.281742760000000 ] # c points: - symbol: Mo # 1 coordinates: [ 0.625626830000000, 0.625626830000000, 0.500000000000000 ] mass: 95.960000 - symbol: Mo # 2 coordinates: [ 0.352790210000000, 0.647209790000000, 0.431940890000000 ] mass: 95.960000 - symbol: Mo # 3 coordinates: [ 0.647209790000000, 0.352790210000000, 0.568059110000000 ] mass: 95.960000 - symbol: Mo # 4 coordinates: [ 0.147209790000000, 0.852790210000000, 0.931940890000000 ] mass: 95.960000 - symbol: Mo # 5 coordinates: [ 0.931918130000000, 0.068081870000000, 0.852782420000000 ] mass: 95.960000 - symbol: Mo # 6 coordinates: [ 0.874373170000000, 0.874373170000000, 0.000000000000000 ] mass: 95.960000 - symbol: Mo # 7 coordinates: [ 0.568081870000000, 0.431918130000000, 0.352782420000000 ] mass: 95.960000 - symbol: Mo # 8 coordinates: [ 0.068081870000000, 0.931918130000000, 0.147217580000000 ] mass: 95.960000 - symbol: Mo # 9 coordinates: [ 0.852790210000000, 0.147209790000000, 0.068059110000000 ] mass: 95.960000 - symbol: Mo # 10 coordinates: [ 0.125626830000000, 0.125626830000000, 0.000000000000000 ] mass: 95.960000 - symbol: Mo # 11 coordinates: [ 0.431918130000000, 0.568081870000000, 0.647217580000000 ] mass: 95.960000 - symbol: Mo # 12 coordinates: [ 0.374373170000000, 0.374373170000000, 0.500000000000000 ] mass: 95.960000 - symbol: Cl # 13 coordinates: [ 0.192859370000000, 0.042567010000000, 0.796082310000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.178387850000000, 0.586128510000000, 0.575124780000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.086128510000000, 0.678387850000000, 0.075124780000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.352156350000000, 0.647843650000000, 0.852184380000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.957432990000000, 0.807140630000000, 0.796082310000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.321612150000000, 0.913871490000000, 0.075124780000000 ] mass: 35.453000 - symbol: Cl # 19 coordinates: [ 0.042567010000000, 0.192859370000000, 0.203917690000000 ] mass: 35.453000 - symbol: Cl # 20 coordinates: [ 0.712833800000000, 0.712833800000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 21 coordinates: [ 0.647843650000000, 0.352156350000000, 0.147815620000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.212833800000000, 0.212833800000000, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.852156350000000, 0.147843650000000, 0.647815620000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.692859370000000, 0.542567010000000, 0.703917690000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.821612150000000, 0.413871490000000, 0.424875220000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.413871490000000, 0.821612150000000, 0.575124780000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.678387850000000, 0.086128510000000, 0.924875220000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.586128510000000, 0.178387850000000, 0.424875220000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.542567010000000, 0.692859370000000, 0.296082310000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.807140630000000, 0.957432990000000, 0.203917690000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.287166200000000, 0.287166200000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.913871490000000, 0.321612150000000, 0.924875220000000 ] mass: 35.453000 - symbol: Cl # 33 coordinates: [ 0.787166200000000, 0.787166200000000, 0.500000000000000 ] mass: 35.453000 - symbol: Cl # 34 coordinates: [ 0.147843650000000, 0.852156350000000, 0.352184380000000 ] mass: 35.453000 - symbol: Cl # 35 coordinates: [ 0.307140630000000, 0.457432990000000, 0.296082310000000 ] mass: 35.453000 - symbol: Cl # 36 coordinates: [ 0.457432990000000, 0.307140630000000, 0.703917690000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.068255220559585, -0.088628115744785, 0.000000000000000 ] # a* - [ 0.068255220559585, 0.088628115744785, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.088638787576823 ] # c*unit_cell: lattice: - [ 14.650893979999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.283101210000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.281742760000000 ] # c points: - symbol: Mo # 1 coordinates: [ 0.125626830000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 1 - symbol: Mo # 2 coordinates: [ 0.000000000000000, 0.647209790000000, 0.431940890000000 ] mass: 95.960000 reduced_to: 2 - symbol: Mo # 3 coordinates: [ 0.000000000000000, 0.352790210000000, 0.568059110000000 ] mass: 95.960000 reduced_to: 3 - symbol: Mo # 4 coordinates: [ 0.000000000000000, 0.852790210000000, 0.931940890000000 ] mass: 95.960000 reduced_to: 4 - symbol: Mo # 5 coordinates: [ 0.000000000000000, 0.068081870000000, 0.852782420000000 ] mass: 95.960000 reduced_to: 5 - symbol: Mo # 6 coordinates: [ 0.374373170000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 6 - symbol: Mo # 7 coordinates: [ 0.000000000000000, 0.431918130000000, 0.352782420000000 ] mass: 95.960000 reduced_to: 7 - symbol: Mo # 8 coordinates: [ 0.000000000000000, 0.931918130000000, 0.147217580000000 ] mass: 95.960000 reduced_to: 8 - symbol: Mo # 9 coordinates: [ 0.000000000000000, 0.147209790000000, 0.068059110000000 ] mass: 95.960000 reduced_to: 9 - symbol: Mo # 10 coordinates: [ 0.625626830000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 10 - symbol: Mo # 11 coordinates: [ 0.000000000000000, 0.568081870000000, 0.647217580000000 ] mass: 95.960000 reduced_to: 11 - symbol: Mo # 12 coordinates: [ 0.874373170000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 12 - symbol: Mo # 13 coordinates: [ 0.625626830000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 1 - symbol: Mo # 14 coordinates: [ 0.500000000000000, 0.147209790000000, 0.431940890000000 ] mass: 95.960000 reduced_to: 2 - symbol: Mo # 15 coordinates: [ 0.500000000000000, 0.852790210000000, 0.568059110000000 ] mass: 95.960000 reduced_to: 3 - symbol: Mo # 16 coordinates: [ 0.500000000000000, 0.352790210000000, 0.931940890000000 ] mass: 95.960000 reduced_to: 4 - symbol: Mo # 17 coordinates: [ 0.500000000000000, 0.568081870000000, 0.852782420000000 ] mass: 95.960000 reduced_to: 5 - symbol: Mo # 18 coordinates: [ 0.874373170000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 6 - symbol: Mo # 19 coordinates: [ 0.500000000000000, 0.931918130000000, 0.352782420000000 ] mass: 95.960000 reduced_to: 7 - symbol: Mo # 20 coordinates: [ 0.500000000000000, 0.431918130000000, 0.147217580000000 ] mass: 95.960000 reduced_to: 8 - symbol: Mo # 21 coordinates: [ 0.500000000000000, 0.647209790000000, 0.068059110000000 ] mass: 95.960000 reduced_to: 9 - symbol: Mo # 22 coordinates: [ 0.125626830000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 10 - symbol: Mo # 23 coordinates: [ 0.500000000000000, 0.068081870000000, 0.647217580000000 ] mass: 95.960000 reduced_to: 11 - symbol: Mo # 24 coordinates: [ 0.374373170000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 12 - symbol: Cl # 25 coordinates: [ 0.617713190000000, 0.424853820000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.882258180000000, 0.703870330000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.882258180000000, 0.796129670000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.000000000000000, 0.647843650000000, 0.852184380000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.382286810000000, 0.424853820000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.117741820000000, 0.796129670000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.617713190000000, 0.575146180000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.212833800000000, 0.500000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.000000000000000, 0.352156350000000, 0.147815620000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.712833800000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 35 coordinates: [ 0.000000000000000, 0.147843650000000, 0.647815620000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.117713190000000, 0.424853820000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 36 - symbol: Cl # 37 coordinates: [ 0.117741820000000, 0.296129670000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.117741820000000, 0.703870330000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.882258180000000, 0.203870330000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.882258180000000, 0.296129670000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 40 - symbol: Cl # 41 coordinates: [ 0.117713190000000, 0.575146180000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.382286810000000, 0.575146180000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 43 coordinates: [ 0.787166200000000, 0.500000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.117741820000000, 0.203870330000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 45 coordinates: [ 0.287166200000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.000000000000000, 0.852156350000000, 0.352184380000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.882286810000000, 0.575146180000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.882286810000000, 0.424853820000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.117713190000000, 0.924853820000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 50 coordinates: [ 0.382258180000000, 0.203870330000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 51 coordinates: [ 0.382258180000000, 0.296129670000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 52 coordinates: [ 0.500000000000000, 0.147843650000000, 0.852184380000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 53 coordinates: [ 0.882286810000000, 0.924853820000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 54 coordinates: [ 0.617741820000000, 0.296129670000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 55 coordinates: [ 0.117713190000000, 0.075146180000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 56 coordinates: [ 0.712833800000000, 0.000000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 57 coordinates: [ 0.500000000000000, 0.852156350000000, 0.147815620000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 58 coordinates: [ 0.212833800000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 59 coordinates: [ 0.500000000000000, 0.647843650000000, 0.647815620000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 60 coordinates: [ 0.617713190000000, 0.924853820000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 36 - symbol: Cl # 61 coordinates: [ 0.617741820000000, 0.796129670000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 62 coordinates: [ 0.617741820000000, 0.203870330000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 38 - symbol: Cl # 63 coordinates: [ 0.382258180000000, 0.703870330000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 64 coordinates: [ 0.382258180000000, 0.796129670000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 40 - symbol: Cl # 65 coordinates: [ 0.617713190000000, 0.075146180000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 66 coordinates: [ 0.882286810000000, 0.075146180000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 67 coordinates: [ 0.287166200000000, 0.000000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 68 coordinates: [ 0.617741820000000, 0.703870330000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 69 coordinates: [ 0.787166200000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 70 coordinates: [ 0.500000000000000, 0.352156350000000, 0.352184380000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 71 coordinates: [ 0.382286810000000, 0.075146180000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 72 coordinates: [ 0.382286810000000, 0.924853820000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 48supercell: lattice: - [ 14.650893979999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.566202420000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.281742760000000 ] # c points: - symbol: Mo # 1 coordinates: [ 0.125626830000000, 0.250000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 1 - symbol: Mo # 2 coordinates: [ 0.125626830000000, 0.750000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 1 - symbol: Mo # 3 coordinates: [ 0.000000000000000, 0.323604895000000, 0.431940890000000 ] mass: 95.960000 reduced_to: 3 - symbol: Mo # 4 coordinates: [ 0.000000000000000, 0.823604895000000, 0.431940890000000 ] mass: 95.960000 reduced_to: 3 - symbol: Mo # 5 coordinates: [ 0.000000000000000, 0.176395105000000, 0.568059110000000 ] mass: 95.960000 reduced_to: 5 - symbol: Mo # 6 coordinates: [ 0.000000000000000, 0.676395105000000, 0.568059110000000 ] mass: 95.960000 reduced_to: 5 - symbol: Mo # 7 coordinates: [ 0.000000000000000, 0.426395105000000, 0.931940890000000 ] mass: 95.960000 reduced_to: 7 - symbol: Mo # 8 coordinates: [ 0.000000000000000, 0.926395105000000, 0.931940890000000 ] mass: 95.960000 reduced_to: 7 - symbol: Mo # 9 coordinates: [ 0.000000000000000, 0.034040935000000, 0.852782420000000 ] mass: 95.960000 reduced_to: 9 - symbol: Mo # 10 coordinates: [ 0.000000000000000, 0.534040935000000, 0.852782420000000 ] mass: 95.960000 reduced_to: 9 - symbol: Mo # 11 coordinates: [ 0.374373170000000, 0.250000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 11 - symbol: Mo # 12 coordinates: [ 0.374373170000000, 0.750000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 11 - symbol: Mo # 13 coordinates: [ 0.000000000000000, 0.215959065000000, 0.352782420000000 ] mass: 95.960000 reduced_to: 13 - symbol: Mo # 14 coordinates: [ 0.000000000000000, 0.715959065000000, 0.352782420000000 ] mass: 95.960000 reduced_to: 13 - symbol: Mo # 15 coordinates: [ 0.000000000000000, 0.465959065000000, 0.147217580000000 ] mass: 95.960000 reduced_to: 15 - symbol: Mo # 16 coordinates: [ 0.000000000000000, 0.965959065000000, 0.147217580000000 ] mass: 95.960000 reduced_to: 15 - symbol: Mo # 17 coordinates: [ 0.000000000000000, 0.073604895000000, 0.068059110000000 ] mass: 95.960000 reduced_to: 17 - symbol: Mo # 18 coordinates: [ 0.000000000000000, 0.573604895000000, 0.068059110000000 ] mass: 95.960000 reduced_to: 17 - symbol: Mo # 19 coordinates: [ 0.625626830000000, 0.250000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 19 - symbol: Mo # 20 coordinates: [ 0.625626830000000, 0.750000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 19 - symbol: Mo # 21 coordinates: [ 0.000000000000000, 0.284040935000000, 0.647217580000000 ] mass: 95.960000 reduced_to: 21 - symbol: Mo # 22 coordinates: [ 0.000000000000000, 0.784040935000000, 0.647217580000000 ] mass: 95.960000 reduced_to: 21 - symbol: Mo # 23 coordinates: [ 0.874373170000000, 0.250000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 23 - symbol: Mo # 24 coordinates: [ 0.874373170000000, 0.750000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 23 - symbol: Mo # 25 coordinates: [ 0.625626830000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 1 - symbol: Mo # 26 coordinates: [ 0.625626830000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 1 - symbol: Mo # 27 coordinates: [ 0.500000000000000, 0.073604895000000, 0.431940890000000 ] mass: 95.960000 reduced_to: 3 - symbol: Mo # 28 coordinates: [ 0.500000000000000, 0.573604895000000, 0.431940890000000 ] mass: 95.960000 reduced_to: 3 - symbol: Mo # 29 coordinates: [ 0.500000000000000, 0.426395105000000, 0.568059110000000 ] mass: 95.960000 reduced_to: 5 - symbol: Mo # 30 coordinates: [ 0.500000000000000, 0.926395105000000, 0.568059110000000 ] mass: 95.960000 reduced_to: 5 - symbol: Mo # 31 coordinates: [ 0.500000000000000, 0.176395105000000, 0.931940890000000 ] mass: 95.960000 reduced_to: 7 - symbol: Mo # 32 coordinates: [ 0.500000000000000, 0.676395105000000, 0.931940890000000 ] mass: 95.960000 reduced_to: 7 - symbol: Mo # 33 coordinates: [ 0.500000000000000, 0.284040935000000, 0.852782420000000 ] mass: 95.960000 reduced_to: 9 - symbol: Mo # 34 coordinates: [ 0.500000000000000, 0.784040935000000, 0.852782420000000 ] mass: 95.960000 reduced_to: 9 - symbol: Mo # 35 coordinates: [ 0.874373170000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 11 - symbol: Mo # 36 coordinates: [ 0.874373170000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 11 - symbol: Mo # 37 coordinates: [ 0.500000000000000, 0.465959065000000, 0.352782420000000 ] mass: 95.960000 reduced_to: 13 - symbol: Mo # 38 coordinates: [ 0.500000000000000, 0.965959065000000, 0.352782420000000 ] mass: 95.960000 reduced_to: 13 - symbol: Mo # 39 coordinates: [ 0.500000000000000, 0.215959065000000, 0.147217580000000 ] mass: 95.960000 reduced_to: 15 - symbol: Mo # 40 coordinates: [ 0.500000000000000, 0.715959065000000, 0.147217580000000 ] mass: 95.960000 reduced_to: 15 - symbol: Mo # 41 coordinates: [ 0.500000000000000, 0.323604895000000, 0.068059110000000 ] mass: 95.960000 reduced_to: 17 - symbol: Mo # 42 coordinates: [ 0.500000000000000, 0.823604895000000, 0.068059110000000 ] mass: 95.960000 reduced_to: 17 - symbol: Mo # 43 coordinates: [ 0.125626830000000, 0.000000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 19 - symbol: Mo # 44 coordinates: [ 0.125626830000000, 0.500000000000000, 0.000000000000000 ] mass: 95.960000 reduced_to: 19 - symbol: Mo # 45 coordinates: [ 0.500000000000000, 0.034040935000000, 0.647217580000000 ] mass: 95.960000 reduced_to: 21 - symbol: Mo # 46 coordinates: [ 0.500000000000000, 0.534040935000000, 0.647217580000000 ] mass: 95.960000 reduced_to: 21 - symbol: Mo # 47 coordinates: [ 0.374373170000000, 0.000000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 23 - symbol: Mo # 48 coordinates: [ 0.374373170000000, 0.500000000000000, 0.500000000000000 ] mass: 95.960000 reduced_to: 23 - symbol: Cl # 49 coordinates: [ 0.617713190000000, 0.212426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.617713190000000, 0.712426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.882258180000000, 0.351935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 52 coordinates: [ 0.882258180000000, 0.851935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 53 coordinates: [ 0.882258180000000, 0.398064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.882258180000000, 0.898064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.000000000000000, 0.323921825000000, 0.852184380000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 56 coordinates: [ 0.000000000000000, 0.823921825000000, 0.852184380000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 57 coordinates: [ 0.382286810000000, 0.212426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.382286810000000, 0.712426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.117741820000000, 0.398064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 60 coordinates: [ 0.117741820000000, 0.898064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 61 coordinates: [ 0.617713190000000, 0.287573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.617713190000000, 0.787573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.212833800000000, 0.250000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 64 coordinates: [ 0.212833800000000, 0.750000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 65 coordinates: [ 0.000000000000000, 0.176078175000000, 0.147815620000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.000000000000000, 0.676078175000000, 0.147815620000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.712833800000000, 0.250000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 68 coordinates: [ 0.712833800000000, 0.750000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 69 coordinates: [ 0.000000000000000, 0.073921825000000, 0.647815620000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 70 coordinates: [ 0.000000000000000, 0.573921825000000, 0.647815620000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 71 coordinates: [ 0.117713190000000, 0.212426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 72 coordinates: [ 0.117713190000000, 0.712426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 73 coordinates: [ 0.117741820000000, 0.148064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.117741820000000, 0.648064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.117741820000000, 0.351935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 76 coordinates: [ 0.117741820000000, 0.851935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 77 coordinates: [ 0.882258180000000, 0.101935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 78 coordinates: [ 0.882258180000000, 0.601935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 79 coordinates: [ 0.882258180000000, 0.148064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 80 coordinates: [ 0.882258180000000, 0.648064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 81 coordinates: [ 0.117713190000000, 0.287573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 82 coordinates: [ 0.117713190000000, 0.787573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 83 coordinates: [ 0.382286810000000, 0.287573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 83 - symbol: Cl # 84 coordinates: [ 0.382286810000000, 0.787573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 83 - symbol: Cl # 85 coordinates: [ 0.787166200000000, 0.250000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.787166200000000, 0.750000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.117741820000000, 0.101935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 87 - symbol: Cl # 88 coordinates: [ 0.117741820000000, 0.601935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 87 - symbol: Cl # 89 coordinates: [ 0.287166200000000, 0.250000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 90 coordinates: [ 0.287166200000000, 0.750000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 91 coordinates: [ 0.000000000000000, 0.426078175000000, 0.352184380000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 92 coordinates: [ 0.000000000000000, 0.926078175000000, 0.352184380000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 93 coordinates: [ 0.882286810000000, 0.287573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 94 coordinates: [ 0.882286810000000, 0.787573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 95 coordinates: [ 0.882286810000000, 0.212426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 95 - symbol: Cl # 96 coordinates: [ 0.882286810000000, 0.712426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 95 - symbol: Cl # 97 coordinates: [ 0.117713190000000, 0.462426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 98 coordinates: [ 0.117713190000000, 0.962426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 99 coordinates: [ 0.382258180000000, 0.101935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 100 coordinates: [ 0.382258180000000, 0.601935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 101 coordinates: [ 0.382258180000000, 0.148064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 102 coordinates: [ 0.382258180000000, 0.648064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 103 coordinates: [ 0.500000000000000, 0.073921825000000, 0.852184380000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 104 coordinates: [ 0.500000000000000, 0.573921825000000, 0.852184380000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 105 coordinates: [ 0.882286810000000, 0.462426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 106 coordinates: [ 0.882286810000000, 0.962426910000000, 0.796082310000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 107 coordinates: [ 0.617741820000000, 0.148064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 108 coordinates: [ 0.617741820000000, 0.648064835000000, 0.075124780000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 109 coordinates: [ 0.117713190000000, 0.037573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 110 coordinates: [ 0.117713190000000, 0.537573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 111 coordinates: [ 0.712833800000000, 0.000000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 112 coordinates: [ 0.712833800000000, 0.500000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 113 coordinates: [ 0.500000000000000, 0.426078175000000, 0.147815620000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 114 coordinates: [ 0.500000000000000, 0.926078175000000, 0.147815620000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 115 coordinates: [ 0.212833800000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 116 coordinates: [ 0.212833800000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 117 coordinates: [ 0.500000000000000, 0.323921825000000, 0.647815620000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 118 coordinates: [ 0.500000000000000, 0.823921825000000, 0.647815620000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 119 coordinates: [ 0.617713190000000, 0.462426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 120 coordinates: [ 0.617713190000000, 0.962426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 121 coordinates: [ 0.617741820000000, 0.398064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 122 coordinates: [ 0.617741820000000, 0.898064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 123 coordinates: [ 0.617741820000000, 0.101935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 124 coordinates: [ 0.617741820000000, 0.601935165000000, 0.575124780000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 125 coordinates: [ 0.382258180000000, 0.351935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 126 coordinates: [ 0.382258180000000, 0.851935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 127 coordinates: [ 0.382258180000000, 0.398064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 128 coordinates: [ 0.382258180000000, 0.898064835000000, 0.424875220000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 129 coordinates: [ 0.617713190000000, 0.037573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 130 coordinates: [ 0.617713190000000, 0.537573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 81 - symbol: Cl # 131 coordinates: [ 0.882286810000000, 0.037573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 83 - symbol: Cl # 132 coordinates: [ 0.882286810000000, 0.537573090000000, 0.203917690000000 ] mass: 35.453000 reduced_to: 83 - symbol: Cl # 133 coordinates: [ 0.287166200000000, 0.000000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 134 coordinates: [ 0.287166200000000, 0.500000000000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 135 coordinates: [ 0.617741820000000, 0.351935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 87 - symbol: Cl # 136 coordinates: [ 0.617741820000000, 0.851935165000000, 0.924875220000000 ] mass: 35.453000 reduced_to: 87 - symbol: Cl # 137 coordinates: [ 0.787166200000000, 0.000000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 138 coordinates: [ 0.787166200000000, 0.500000000000000, 0.500000000000000 ] mass: 35.453000 reduced_to: 89 - symbol: Cl # 139 coordinates: [ 0.500000000000000, 0.176078175000000, 0.352184380000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 140 coordinates: [ 0.500000000000000, 0.676078175000000, 0.352184380000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 141 coordinates: [ 0.382286810000000, 0.037573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 142 coordinates: [ 0.382286810000000, 0.537573090000000, 0.296082310000000 ] mass: 35.453000 reduced_to: 93 - symbol: Cl # 143 coordinates: [ 0.382286810000000, 0.462426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 95 - symbol: Cl # 144 coordinates: [ 0.382286810000000, 0.962426910000000, 0.703917690000000 ] mass: 35.453000 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3146187800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003909800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0472942200000000, -0.0273203900000000, 0.0127339800000000 ] - [ 0.0000001400000000, 0.0002636700000000, 0.0000196700000000 ] - [ 0.0472942200000000, 0.0273203900000000, -0.0127339800000000 ] - [ 0.0000001400000000, -0.0002636700000000, -0.0000196700000000 ] - [ 0.0000090100000000, -0.0009175400000000, -0.0002248900000000 ] - [ -0.0000170300000000, 0.0000180200000000, 0.0001658600000000 ] - [ -0.0001127600000000, 0.0004373500000000, -0.0008977400000000 ] - [ 0.0001034400000000, -0.0000312300000000, 0.0001508300000000 ] - [ -0.0023807000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008906600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0472496200000000, 0.0124821100000000, 0.0273619600000000 ] - [ 0.0000013000000000, -0.0001201800000000, -0.0001881200000000 ] - [ -0.0001127600000000, -0.0004373500000000, 0.0008977400000000 ] - [ 0.0001034400000000, 0.0000312300000000, -0.0001508300000000 ] - [ 0.0000090100000000, 0.0009175400000000, 0.0002248900000000 ] - [ -0.0000170300000000, -0.0000180200000000, -0.0001658600000000 ] - [ 0.0014561100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008856300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0472496200000000, -0.0124821100000000, -0.0273619600000000 ] - [ 0.0000013000000000, 0.0001201800000000, 0.0001881200000000 ] - [ 0.0095238900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003956500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011726800000000, 0.0000289800000000, 0.0000319500000000 ] - [ 0.0011726800000000, -0.0000289800000000, -0.0000319500000000 ] - [ 0.0006173300000000, -0.0007433500000000, -0.0000493400000000 ] - [ -0.0000325600000000, 0.0002464300000000, 0.0000089800000000 ] - [ 0.0006173300000000, 0.0007433500000000, 0.0000493400000000 ] - [ -0.0000325600000000, -0.0002464300000000, -0.0000089800000000 ] - [ 0.0008285700000000, -0.0007126400000000, 0.0002972400000000 ] - [ -0.0000031200000000, -0.0000585800000000, 0.0001198900000000 ] - [ 0.0005989400000000, 0.0002406900000000, 0.0005959200000000 ] - [ -0.0000011800000000, 0.0000677600000000, 0.0000185800000000 ] - [ -0.0000772200000000, 0.0000337500000000, 0.0000366900000000 ] - [ -0.0000772200000000, -0.0000337500000000, -0.0000366900000000 ] - [ 0.0007575300000000, 0.0003179800000000, -0.0004325400000000 ] - [ 0.0000478400000000, -0.0001698300000000, -0.0002341200000000 ] - [ 0.0005989400000000, -0.0002406900000000, -0.0005959200000000 ] - [ -0.0000011800000000, -0.0000677600000000, -0.0000185800000000 ] - [ 0.0008285700000000, 0.0007126400000000, -0.0002972400000000 ] - [ -0.0000031200000000, 0.0000585800000000, -0.0001198900000000 ] - [ -0.0000000400000000, 0.0001316700000000, 0.0002135100000000 ] - [ -0.0000000400000000, -0.0001316700000000, -0.0002135100000000 ] - [ 0.0007575300000000, -0.0003179800000000, 0.0004325400000000 ] - [ 0.0000478400000000, 0.0001698300000000, 0.0002341200000000 ] - [ -0.0016312100000000, -0.0008926000000000, -0.0003396500000000 ] - [ -0.0016312100000000, 0.0008926000000000, 0.0003396500000000 ] - [ 0.0000135200000000, -0.0004231000000000, 0.0001142800000000 ] - [ 0.0000810700000000, -0.0004742100000000, 0.0000506000000000 ] - [ 0.0015926500000000, -0.0010703100000000, 0.0001362100000000 ] - [ -0.0000434200000000, -0.0000747700000000, 0.0004693500000000 ] - [ -0.0000486400000000, 0.0001346200000000, 0.0004645800000000 ] - [ -0.0001143900000000, -0.0000347200000000, 0.0004876500000000 ] - [ -0.0008170700000000, 0.0008634200000000, -0.0001660800000000 ] - [ 0.0000020200000000, 0.0001415500000000, -0.0004530200000000 ] - [ -0.0004838500000000, -0.0008223100000000, 0.0000524900000000 ] - [ -0.0000822800000000, -0.0004743800000000, 0.0000499900000000 ] - [ -0.0000099000000000, 0.0001573400000000, 0.0004702500000000 ] - [ 0.0000847000000000, -0.0000414600000000, 0.0004919300000000 ] - [ 0.0000135200000000, 0.0004231000000000, -0.0001142800000000 ] - [ 0.0000810700000000, 0.0004742100000000, -0.0000506000000000 ] - [ 0.0014458600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001928600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008170700000000, -0.0008634200000000, 0.0001660800000000 ] - [ 0.0000020200000000, -0.0001415500000000, 0.0004530200000000 ] - [ -0.0034029500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002959500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008249100000000, 0.0001860500000000, 0.0008773600000000 ] - [ 0.0000020800000000, 0.0004532800000000, 0.0001000300000000 ] - [ 0.0064547300000000, -0.0016170200000000, 0.0023611100000000 ] - [ 0.0000857000000000, -0.0004848000000000, -0.0000545900000000 ] - [ 0.0063836000000000, -0.0023856900000000, -0.0015965900000000 ] - [ 0.0000434000000000, 0.0000752000000000, -0.0004688800000000 ] - [ 0.0063836000000000, 0.0023856900000000, 0.0015965900000000 ] - [ 0.0000434000000000, -0.0000752000000000, 0.0004688800000000 ] - [ -0.0000486400000000, -0.0001346200000000, -0.0004645800000000 ] - [ -0.0001143900000000, 0.0000347200000000, -0.0004876500000000 ] - [ 0.0015926500000000, 0.0010703100000000, -0.0001362100000000 ] - [ -0.0000434200000000, 0.0000747700000000, -0.0004693500000000 ] - [ 0.0064547300000000, 0.0016170200000000, -0.0023611100000000 ] - [ 0.0000857000000000, 0.0004848000000000, 0.0000545900000000 ] - [ -0.0004838500000000, 0.0008223100000000, -0.0000524900000000 ] - [ -0.0000822800000000, 0.0004743800000000, -0.0000499900000000 ] - [ -0.0010063800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001865300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000099000000000, -0.0001573400000000, -0.0004702500000000 ] - [ 0.0000847000000000, 0.0000414600000000, -0.0004919300000000 ] - [ 0.0901210800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002971500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008249100000000, -0.0001860500000000, -0.0008773600000000 ] - [ 0.0000020800000000, -0.0004532800000000, -0.0001000300000000 ] - [ 0.0015436000000000, 0.0001630500000000, 0.0010389200000000 ] - [ -0.0000867800000000, 0.0004847400000000, 0.0000532800000000 ] - [ 0.0015436000000000, -0.0001630500000000, -0.0010389200000000 ] - [ -0.0000867800000000, -0.0004847400000000, -0.0000532800000000 ] - [ 0.0000364700000000, -0.0004626700000000, 0.0000892600000000 ] - [ 0.0001262100000000, -0.0005440400000000, -0.0000151500000000 ] - [ -0.0004310200000000, 0.0001238100000000, 0.0008850000000000 ] - [ -0.0000400200000000, -0.0002652300000000, 0.0003764800000000 ] - [ -0.0000963700000000, -0.0000141600000000, 0.0004480800000000 ] - [ -0.0000370500000000, 0.0000694600000000, 0.0004496400000000 ] - [ -0.0000478900000000, 0.0005318300000000, -0.0001741100000000 ] - [ -0.0000023400000000, 0.0001666500000000, -0.0005129700000000 ] - [ -0.0001118700000000, -0.0004462000000000, 0.0000318300000000 ] - [ -0.0001378100000000, -0.0005515000000000, 0.0000264500000000 ] - [ -0.0001873000000000, 0.0001698200000000, 0.0003728900000000 ] - [ 0.0000366600000000, 0.0000683000000000, 0.0004510000000000 ] - [ 0.0000364700000000, 0.0004626700000000, -0.0000892600000000 ] - [ 0.0001262100000000, 0.0005440400000000, 0.0000151500000000 ] - [ -0.0006085500000000, 0.0000509600000000, 0.0000027900000000 ] - [ -0.0006085500000000, -0.0000509600000000, -0.0000027900000000 ] - [ -0.0000478900000000, -0.0005318300000000, 0.0001741100000000 ] - [ -0.0000023400000000, -0.0001666500000000, 0.0005129700000000 ] - [ 0.0008243600000000, -0.0001115700000000, 0.0000913600000000 ] - [ 0.0008243600000000, 0.0001115700000000, -0.0000913600000000 ] - [ -0.0002690600000000, -0.0002187100000000, 0.0001104300000000 ] - [ 0.0000027600000000, 0.0004923900000000, 0.0001485100000000 ] - [ 0.0000133200000000, -0.0005490300000000, -0.0001057300000000 ] - [ -0.0000830800000000, -0.0003094400000000, -0.0001020700000000 ] - [ 0.0000524100000000, 0.0000268500000000, -0.0004279400000000 ] - [ -0.0000329600000000, 0.0001696600000000, -0.0004323000000000 ] - [ 0.0000524100000000, -0.0000268500000000, 0.0004279400000000 ] - [ -0.0000329600000000, -0.0001696600000000, 0.0004323000000000 ] - [ -0.0000963700000000, 0.0000141600000000, -0.0004480800000000 ] - [ -0.0000370500000000, -0.0000694600000000, -0.0004496400000000 ] - [ -0.0004310200000000, -0.0001238100000000, -0.0008850000000000 ] - [ -0.0000400200000000, 0.0002652300000000, -0.0003764800000000 ] - [ 0.0000133200000000, 0.0005490300000000, 0.0001057300000000 ] - [ -0.0000830800000000, 0.0003094400000000, 0.0001020700000000 ] - [ -0.0001118700000000, 0.0004462000000000, -0.0000318300000000 ] - [ -0.0001378100000000, 0.0005515000000000, -0.0000264500000000 ] - [ 0.0006454800000000, 0.0000641300000000, -0.0000067000000000 ] - [ 0.0006454800000000, -0.0000641300000000, 0.0000067000000000 ] - [ -0.0001873000000000, -0.0001698200000000, -0.0003728900000000 ] - [ 0.0000366600000000, -0.0000683000000000, -0.0004510000000000 ] - [ -0.0005935000000000, -0.0000738400000000, 0.0000074100000000 ] - [ -0.0005935000000000, 0.0000738400000000, -0.0000074100000000 ] - [ -0.0002690600000000, 0.0002187100000000, -0.0001104300000000 ] - [ 0.0000027600000000, -0.0004923900000000, -0.0001485100000000 ] - [ -0.0001517700000000, 0.0004807100000000, -0.0000368400000000 ] - [ -0.0000563500000000, 0.0004457500000000, 0.0000756100000000 ] - [ -0.0001517700000000, -0.0004807100000000, 0.0000368400000000 ] - [ -0.0000563500000000, -0.0004457500000000, -0.0000756100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3160363600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008857100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0484266000000000, 0.0286134400000000, -0.0130492400000000 ] - [ -0.0000075600000000, 0.0000437800000000, 0.0001231200000000 ] - [ -0.0484266000000000, -0.0286134400000000, 0.0130492400000000 ] - [ -0.0000075600000000, -0.0000437800000000, -0.0001231200000000 ] - [ 0.0000057900000000, 0.0005917700000000, 0.0003657600000000 ] - [ 0.0000191200000000, -0.0003277000000000, -0.0000240600000000 ] - [ 0.0001288100000000, -0.0002536100000000, 0.0007111600000000 ] - [ -0.0001028700000000, 0.0002145300000000, -0.0003228700000000 ] - [ 0.0010693000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004004700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0483825300000000, -0.0131281400000000, -0.0285251400000000 ] - [ -0.0000089300000000, -0.0000671600000000, 0.0000092700000000 ] - [ 0.0001288100000000, 0.0002536100000000, -0.0007111600000000 ] - [ -0.0001028700000000, -0.0002145300000000, 0.0003228700000000 ] - [ 0.0000057900000000, -0.0005917700000000, -0.0003657600000000 ] - [ 0.0000191200000000, 0.0003277000000000, 0.0000240600000000 ] - [ -0.0001504500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004069100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0483825300000000, 0.0131281400000000, 0.0285251400000000 ] - [ -0.0000089300000000, 0.0000671600000000, -0.0000092700000000 ] - [ -0.0109608700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008888100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001223000000000, -0.0000321200000000, -0.0000323600000000 ] - [ 0.0001223000000000, 0.0000321200000000, 0.0000323600000000 ] - [ -0.0006124800000000, 0.0010374500000000, 0.0001928400000000 ] - [ 0.0000330000000000, 0.0000616900000000, 0.0001344200000000 ] - [ -0.0006124800000000, -0.0010374500000000, -0.0001928400000000 ] - [ 0.0000330000000000, -0.0000616900000000, -0.0001344200000000 ] - [ -0.0008196300000000, 0.0003938800000000, -0.0001523200000000 ] - [ 0.0000047700000000, -0.0002481100000000, 0.0000233200000000 ] - [ -0.0005923100000000, -0.0000511900000000, -0.0007661100000000 ] - [ 0.0000028700000000, 0.0001162500000000, -0.0001908800000000 ] - [ -0.0012062700000000, -0.0000330700000000, -0.0000342700000000 ] - [ -0.0012062700000000, 0.0000330700000000, 0.0000342700000000 ] - [ -0.0007509600000000, -0.0004946500000000, 0.0002548100000000 ] - [ -0.0000468100000000, -0.0000159300000000, 0.0000596400000000 ] - [ -0.0005923100000000, 0.0000511900000000, 0.0007661100000000 ] - [ 0.0000028700000000, -0.0001162500000000, 0.0001908800000000 ] - [ -0.0008196300000000, -0.0003938800000000, 0.0001523200000000 ] - [ 0.0000047700000000, 0.0002481100000000, -0.0000233200000000 ] - [ 0.0012777100000000, -0.0001277700000000, -0.0002109100000000 ] - [ 0.0012777100000000, 0.0001277700000000, 0.0002109100000000 ] - [ -0.0007509600000000, 0.0004946500000000, -0.0002548100000000 ] - [ -0.0000468100000000, 0.0000159300000000, -0.0000596400000000 ] - [ 0.0003322300000000, 0.0008830800000000, 0.0003370100000000 ] - [ 0.0003322300000000, -0.0008830800000000, -0.0003370100000000 ] - [ 0.0001546600000000, -0.0005355900000000, -0.0000076300000000 ] - [ 0.0000864700000000, -0.0004844500000000, 0.0000583300000000 ] - [ -0.0017215000000000, 0.0009599800000000, 0.0007982200000000 ] - [ -0.0000404400000000, -0.0000736800000000, 0.0004507000000000 ] - [ -0.0000381500000000, 0.0000076300000000, 0.0004545500000000 ] - [ 0.0000276700000000, 0.0001773800000000, 0.0004312400000000 ] - [ 0.0008613900000000, -0.0002084300000000, -0.0003923000000000 ] - [ -0.0000045100000000, 0.0004817600000000, -0.0001509400000000 ] - [ 0.0003072200000000, -0.0001374800000000, 0.0000463700000000 ] - [ -0.0000872700000000, -0.0004856700000000, 0.0000564600000000 ] - [ 0.0000914400000000, -0.0000075200000000, 0.0004498600000000 ] - [ -0.0000024400000000, 0.0001838100000000, 0.0004270600000000 ] - [ 0.0001546600000000, 0.0005355900000000, 0.0000076300000000 ] - [ 0.0000864700000000, 0.0004844500000000, -0.0000583300000000 ] - [ -0.0015265200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002873900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008613900000000, 0.0002084300000000, 0.0003923000000000 ] - [ -0.0000045100000000, -0.0004817600000000, 0.0001509400000000 ] - [ 0.0033660100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002002200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008694700000000, 0.0003906100000000, -0.0002447200000000 ] - [ -0.0000044900000000, 0.0001700300000000, 0.0005007400000000 ] - [ -0.0062086000000000, 0.0006234300000000, -0.0023675600000000 ] - [ 0.0000815400000000, -0.0004746700000000, -0.0000488700000000 ] - [ -0.0062208200000000, 0.0024307100000000, 0.0006407900000000 ] - [ 0.0000397000000000, 0.0000666400000000, -0.0004533700000000 ] - [ -0.0062208200000000, -0.0024307100000000, -0.0006407900000000 ] - [ 0.0000397000000000, -0.0000666400000000, 0.0004533700000000 ] - [ -0.0000381500000000, -0.0000076300000000, -0.0004545500000000 ] - [ 0.0000276700000000, -0.0001773800000000, -0.0004312400000000 ] - [ -0.0017215000000000, -0.0009599800000000, -0.0007982200000000 ] - [ -0.0000404400000000, 0.0000736800000000, -0.0004507000000000 ] - [ -0.0062086000000000, -0.0006234300000000, 0.0023675600000000 ] - [ 0.0000815400000000, 0.0004746700000000, 0.0000488700000000 ] - [ 0.0003072200000000, 0.0001374800000000, -0.0000463700000000 ] - [ -0.0000872700000000, 0.0004856700000000, -0.0000564600000000 ] - [ 0.0010842100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002726700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000914400000000, 0.0000075200000000, -0.0004498600000000 ] - [ -0.0000024400000000, -0.0001838100000000, -0.0004270600000000 ] - [ -0.0857764700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001882700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008694700000000, -0.0003906100000000, 0.0002447200000000 ] - [ -0.0000044900000000, -0.0001700300000000, -0.0005007400000000 ] - [ -0.0017570100000000, 0.0008094300000000, -0.0009666700000000 ] - [ -0.0000814700000000, 0.0004719000000000, 0.0000562500000000 ] - [ -0.0017570100000000, -0.0008094300000000, 0.0009666700000000 ] - [ -0.0000814700000000, -0.0004719000000000, -0.0000562500000000 ] - [ 0.0001283100000000, -0.0004980700000000, 0.0000216700000000 ] - [ 0.0000406600000000, -0.0004189100000000, 0.0001228400000000 ] - [ 0.0003363300000000, -0.0002591500000000, 0.0000357700000000 ] - [ -0.0000456300000000, 0.0001176300000000, 0.0005414100000000 ] - [ 0.0000108600000000, 0.0001575900000000, 0.0004729300000000 ] - [ -0.0000484400000000, 0.0000740800000000, 0.0004700700000000 ] - [ 0.0000475200000000, 0.0000902100000000, -0.0004255900000000 ] - [ 0.0000028200000000, 0.0004520000000000, -0.0000915800000000 ] - [ -0.0000590700000000, -0.0005141700000000, 0.0000734900000000 ] - [ -0.0000324200000000, -0.0004101900000000, 0.0000800600000000 ] - [ 0.0002685300000000, -0.0000245600000000, 0.0005474300000000 ] - [ 0.0000464700000000, 0.0000783400000000, 0.0004676700000000 ] - [ 0.0001283100000000, 0.0004980700000000, -0.0000216700000000 ] - [ 0.0000406600000000, 0.0004189100000000, -0.0001228400000000 ] - [ 0.0004982600000000, -0.0000503500000000, -0.0000026400000000 ] - [ 0.0004982600000000, 0.0000503500000000, 0.0000026400000000 ] - [ 0.0000475200000000, -0.0000902100000000, 0.0004255900000000 ] - [ 0.0000028200000000, -0.0004520000000000, 0.0000915800000000 ] - [ -0.0009110200000000, 0.0001138600000000, -0.0000918300000000 ] - [ -0.0009110200000000, -0.0001138600000000, 0.0000918300000000 ] - [ 0.0002641800000000, 0.0008298500000000, 0.0004912200000000 ] - [ -0.0000019800000000, 0.0001317300000000, 0.0004535400000000 ] - [ 0.0001558500000000, -0.0004102800000000, -0.0000037900000000 ] - [ 0.0002507800000000, -0.0006482800000000, -0.0000084800000000 ] - [ 0.0000339300000000, 0.0001188200000000, -0.0004906900000000 ] - [ 0.0001167800000000, -0.0000210600000000, -0.0004853400000000 ] - [ 0.0000339300000000, -0.0001188200000000, 0.0004906900000000 ] - [ 0.0001167800000000, 0.0000210600000000, 0.0004853400000000 ] - [ 0.0000108600000000, -0.0001575900000000, -0.0004729300000000 ] - [ -0.0000484400000000, -0.0000740800000000, -0.0004700700000000 ] - [ 0.0003363300000000, 0.0002591500000000, -0.0000357700000000 ] - [ -0.0000456300000000, -0.0001176300000000, -0.0005414100000000 ] - [ 0.0001558500000000, 0.0004102800000000, 0.0000037900000000 ] - [ 0.0002507800000000, 0.0006482800000000, 0.0000084800000000 ] - [ -0.0000590700000000, 0.0005141700000000, -0.0000734900000000 ] - [ -0.0000324200000000, 0.0004101900000000, -0.0000800600000000 ] - [ -0.0005404700000000, -0.0000640800000000, 0.0000068200000000 ] - [ -0.0005404700000000, 0.0000640800000000, -0.0000068200000000 ] - [ 0.0002685300000000, 0.0000245600000000, -0.0005474300000000 ] - [ 0.0000464700000000, -0.0000783400000000, -0.0004676700000000 ] - [ 0.0006779900000000, 0.0000732800000000, -0.0000072500000000 ] - [ 0.0006779900000000, -0.0000732800000000, 0.0000072500000000 ] - [ 0.0002641800000000, -0.0008298500000000, -0.0004912200000000 ] - [ -0.0000019800000000, -0.0001317300000000, -0.0004535400000000 ] - [ -0.0000201400000000, 0.0004792900000000, 0.0001436300000000 ] - [ -0.0001137200000000, 0.0005129200000000, 0.0000330800000000 ] - [ -0.0000201400000000, -0.0004792900000000, -0.0001436300000000 ] - [ -0.0001137200000000, -0.0005129200000000, -0.0000330800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022309000000000, -0.2584014700000000, 0.0000387700000000 ] - [ 0.0006408300000000, 0.0001244800000000, 0.0000046300000000 ] - [ -0.0457270600000000, 0.0440907800000000, -0.0167042500000000 ] - [ 0.0000128500000000, 0.0003837900000000, 0.0000059500000000 ] - [ 0.0449087500000000, 0.0429173300000000, -0.0165680800000000 ] - [ -0.0000141100000000, 0.0000801800000000, -0.0001378900000000 ] - [ -0.0007099300000000, -0.0004548000000000, 0.0002848500000000 ] - [ 0.0000313200000000, -0.0000564800000000, 0.0000609800000000 ] - [ -0.0001108000000000, 0.0003865400000000, -0.0000014800000000 ] - [ -0.0003434200000000, 0.0004476400000000, -0.0001481100000000 ] - [ -0.0006462500000000, -0.0001350100000000, 0.0001137100000000 ] - [ -0.0006455300000000, 0.0000752900000000, 0.0000100100000000 ] - [ 0.0210164900000000, 0.0152083700000000, 0.0164444300000000 ] - [ -0.0000220000000000, 0.0000214600000000, -0.0000010700000000 ] - [ 0.0001074400000000, 0.0001968700000000, 0.0001739000000000 ] - [ 0.0003456200000000, 0.0002674700000000, 0.0000247900000000 ] - [ 0.0007142400000000, -0.0001531100000000, 0.0001441700000000 ] - [ -0.0000314200000000, 0.0002521100000000, -0.0000826100000000 ] - [ 0.0006434000000000, -0.0000334200000000, 0.0000070700000000 ] - [ 0.0006486700000000, 0.0000623700000000, 0.0000104200000000 ] - [ -0.0209369700000000, 0.0155468300000000, 0.0166756300000000 ] - [ 0.0000203300000000, 0.0002061700000000, 0.0001752900000000 ] - [ -0.0006851200000000, -0.0026888000000000, 0.0000248700000000 ] - [ -0.0006428500000000, 0.0000676700000000, -0.0000161900000000 ] - [ 0.0006125200000000, -0.0000089700000000, -0.0000024900000000 ] - [ 0.0006737900000000, -0.0000080300000000, -0.0000024500000000 ] - [ -0.0001069800000000, -0.0001079400000000, 0.0001664200000000 ] - [ -0.0000037100000000, 0.0002656500000000, 0.0000527300000000 ] - [ 0.0001100400000000, -0.0004075400000000, 0.0000240500000000 ] - [ 0.0000028700000000, -0.0000388200000000, -0.0000918400000000 ] - [ -0.0000564000000000, -0.0002748300000000, 0.0000495300000000 ] - [ 0.0000064100000000, -0.0000233000000000, 0.0000911500000000 ] - [ 0.0000517200000000, -0.0000127100000000, -0.0001010500000000 ] - [ -0.0000043000000000, 0.0001825200000000, -0.0001534400000000 ] - [ -0.0006079400000000, -0.0000088000000000, 0.0000159900000000 ] - [ -0.0006789500000000, -0.0000081200000000, 0.0000158600000000 ] - [ 0.0000284300000000, 0.0000019200000000, -0.0001960500000000 ] - [ -0.0000621000000000, 0.0000292200000000, -0.0000495400000000 ] - [ -0.0000517900000000, -0.0001962600000000, 0.0000696200000000 ] - [ 0.0000061400000000, -0.0000018400000000, 0.0000234600000000 ] - [ 0.0000572800000000, 0.0000322200000000, -0.0000954800000000 ] - [ -0.0000048800000000, 0.0002858100000000, -0.0000514000000000 ] - [ 0.0005132200000000, 0.0001760700000000, 0.0005803400000000 ] - [ 0.0007721700000000, 0.0001698300000000, 0.0005741800000000 ] - [ -0.0000249700000000, 0.0001816100000000, -0.0000208400000000 ] - [ 0.0000620700000000, 0.0002130100000000, 0.0001219000000000 ] - [ -0.0015347900000000, 0.0000732300000000, -0.0000652000000000 ] - [ 0.0002386900000000, 0.0000799400000000, -0.0000638900000000 ] - [ 0.0000735100000000, -0.0004591800000000, 0.0000601800000000 ] - [ 0.0000950300000000, -0.0004968600000000, 0.0000384300000000 ] - [ -0.0036098000000000, 0.0012652100000000, 0.0004397000000000 ] - [ -0.0000173800000000, -0.0001234200000000, 0.0004466800000000 ] - [ -0.0000001100000000, 0.0000826200000000, 0.0004068900000000 ] - [ -0.0001238500000000, 0.0000206000000000, 0.0004412900000000 ] - [ 0.0005700900000000, 0.0006383900000000, 0.0008715000000000 ] - [ -0.0000007900000000, 0.0001257900000000, -0.0004663000000000 ] - [ -0.0001017100000000, -0.0004705900000000, 0.0001012000000000 ] - [ -0.0000976500000000, -0.0004962800000000, 0.0000360000000000 ] - [ 0.0001506400000000, 0.0001042100000000, 0.0004157100000000 ] - [ 0.0000339800000000, 0.0000605600000000, 0.0004718000000000 ] - [ 0.0000949800000000, 0.0005010800000000, -0.0000427300000000 ] - [ 0.0000713400000000, 0.0004622400000000, -0.0000669800000000 ] - [ -0.0000484800000000, 0.0002435700000000, 0.0003903500000000 ] - [ -0.0000510600000000, -0.0000399700000000, -0.0000055200000000 ] - [ -0.0005878600000000, 0.0000407200000000, 0.0015022300000000 ] - [ 0.0000001200000000, -0.0004922600000000, 0.0001303200000000 ] - [ -0.0000511700000000, 0.0002155900000000, -0.0000169400000000 ] - [ -0.0000500300000000, -0.0000253900000000, 0.0000043700000000 ] - [ -0.0003180200000000, 0.0022634000000000, -0.0009217500000000 ] - [ 0.0000036000000000, 0.0000635900000000, 0.0004581900000000 ] - [ 0.0009178100000000, 0.0139634200000000, -0.0121554200000000 ] - [ 0.0001000700000000, -0.0005023300000000, -0.0000283300000000 ] - [ 0.0027903900000000, 0.0425026700000000, 0.0111823800000000 ] - [ 0.0000720700000000, 0.0000093700000000, -0.0004912600000000 ] - [ -0.0032573000000000, 0.0453061100000000, 0.0132007000000000 ] - [ 0.0000103300000000, -0.0001297400000000, 0.0004301600000000 ] - [ -0.0000847400000000, -0.0000581900000000, -0.0005123200000000 ] - [ 0.0000387900000000, -0.0001205700000000, -0.0004783700000000 ] - [ 0.0034660600000000, 0.0014245700000000, -0.0004817000000000 ] - [ -0.0000657700000000, 0.0000169500000000, -0.0004747100000000 ] - [ -0.0008107300000000, 0.0151073600000000, -0.0125611500000000 ] - [ 0.0000658600000000, 0.0004580900000000, 0.0000726900000000 ] - [ -0.0000668300000000, 0.0004891100000000, -0.0000032900000000 ] - [ -0.0000711200000000, 0.0004639100000000, -0.0000673900000000 ] - [ 0.0000498300000000, 0.0000306900000000, 0.0000396900000000 ] - [ 0.0000461200000000, -0.0000391600000000, -0.0000062300000000 ] - [ -0.0000689400000000, -0.0000406300000000, -0.0005033600000000 ] - [ 0.0000495300000000, -0.0000785600000000, -0.0004483200000000 ] - [ -0.0000614000000000, 0.0159991400000000, -0.0002319200000000 ] - [ 0.0000511200000000, -0.0000361500000000, 0.0000039200000000 ] - [ 0.0003208000000000, 0.0016457200000000, -0.0015231900000000 ] - [ -0.0000041300000000, -0.0005579700000000, -0.0001409000000000 ] - [ -0.0014095700000000, 0.0018882900000000, 0.0000288100000000 ] - [ -0.0000666000000000, 0.0004512000000000, 0.0000694400000000 ] - [ 0.0012489400000000, 0.0009352600000000, -0.0000695200000000 ] - [ -0.0000999900000000, -0.0005081400000000, -0.0000323500000000 ] - [ 0.0004120300000000, -0.0005632400000000, -0.0004529500000000 ] - [ 0.0000347400000000, -0.0004956400000000, -0.0000910500000000 ] - [ -0.0000959500000000, -0.0001714000000000, 0.0004529400000000 ] - [ -0.0000696100000000, -0.0000805800000000, 0.0004513300000000 ] - [ -0.0000008900000000, 0.0001661300000000, 0.0004333000000000 ] - [ -0.0000630500000000, 0.0000259600000000, 0.0004785500000000 ] - [ 0.0000003100000000, 0.0004389900000000, -0.0001829000000000 ] - [ 0.0000037200000000, 0.0001678300000000, -0.0004179200000000 ] - [ -0.0000939700000000, -0.0004962700000000, 0.0000227200000000 ] - [ -0.0001179400000000, -0.0005026700000000, 0.0000071700000000 ] - [ 0.0000184000000000, 0.0001106300000000, 0.0004568000000000 ] - [ 0.0000601800000000, 0.0000305300000000, 0.0004744000000000 ] - [ -0.0002460700000000, 0.0003991000000000, -0.0005581400000000 ] - [ 0.0001341200000000, 0.0004660600000000, -0.0001922700000000 ] - [ -0.0001732700000000, 0.0000051300000000, 0.0000042200000000 ] - [ 0.0000741900000000, 0.0000054300000000, 0.0000040500000000 ] - [ -0.0000010800000000, -0.0001800500000000, 0.0004133100000000 ] - [ -0.0000034300000000, -0.0004531700000000, 0.0001789700000000 ] - [ 0.0007590300000000, -0.0003792100000000, 0.0001058700000000 ] - [ -0.0008466300000000, -0.0003800000000000, 0.0001055700000000 ] - [ 0.0000457600000000, 0.0005283200000000, 0.0002605700000000 ] - [ -0.0000051700000000, 0.0001691200000000, 0.0004259800000000 ] - [ 0.0000561400000000, -0.0004834500000000, -0.0000845700000000 ] - [ 0.0001022600000000, -0.0004946700000000, -0.0000304700000000 ] - [ 0.0000096100000000, 0.0000904300000000, -0.0004343500000000 ] - [ 0.0000820200000000, 0.0000454200000000, -0.0004649100000000 ] - [ 0.0000766200000000, -0.0000507000000000, 0.0004856400000000 ] - [ 0.0000024500000000, -0.0000973100000000, 0.0004544100000000 ] - [ -0.0000828900000000, 0.0000255700000000, -0.0004875000000000 ] - [ -0.0000222700000000, -0.0001147600000000, -0.0004421700000000 ] - [ 0.0000065800000000, -0.0000326500000000, -0.0004685000000000 ] - [ -0.0000147900000000, 0.0000633700000000, -0.0004672800000000 ] - [ 0.0001138600000000, 0.0004767200000000, 0.0000196900000000 ] - [ 0.0000659500000000, 0.0004645500000000, 0.0000744800000000 ] - [ -0.0000743000000000, 0.0004639800000000, -0.0000819900000000 ] - [ -0.0000512900000000, 0.0004584900000000, -0.0000966200000000 ] - [ 0.0001197100000000, -0.0000383300000000, -0.0000350700000000 ] - [ -0.0000181200000000, -0.0000380100000000, -0.0000348900000000 ] - [ 0.0000651900000000, -0.0000299700000000, -0.0004638600000000 ] - [ 0.0000226600000000, -0.0001126500000000, -0.0004457800000000 ] - [ 0.0000944300000000, 0.0000365900000000, -0.0000005700000000 ] - [ 0.0000026600000000, 0.0000366800000000, -0.0000008200000000 ] - [ -0.0000487400000000, -0.0000894700000000, -0.0003410200000000 ] - [ 0.0000060600000000, -0.0004519800000000, -0.0001739500000000 ] - [ -0.0000275800000000, 0.0004454900000000, 0.0001352600000000 ] - [ -0.0001197000000000, 0.0004897100000000, 0.0000671300000000 ] - [ -0.0001429800000000, -0.0005146200000000, 0.0000315400000000 ] - [ -0.0000488700000000, -0.0004695500000000, -0.0000383900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0022286300000000, 0.0000661300000000, -0.2583287400000000 ] - [ 0.0006419900000000, 0.0000047900000000, 0.0000263800000000 ] - [ 0.0210032400000000, -0.0164514100000000, 0.0154804700000000 ] - [ 0.0000043300000000, 0.0001322800000000, 0.0000778900000000 ] - [ -0.0209242000000000, -0.0168154800000000, 0.0154934100000000 ] - [ -0.0000054400000000, -0.0001727100000000, -0.0000653900000000 ] - [ 0.0004415300000000, -0.0001651400000000, 0.0007473800000000 ] - [ 0.0000088200000000, -0.0001711300000000, 0.0000432000000000 ] - [ -0.0005983400000000, -0.0002253600000000, -0.0003747700000000 ] - [ -0.0000815600000000, 0.0002113900000000, -0.0000038100000000 ] - [ -0.0006537600000000, -0.0001126100000000, 0.0002058100000000 ] - [ -0.0006449900000000, -0.0000096100000000, 0.0000087200000000 ] - [ 0.0449312700000000, 0.0164628000000000, 0.0432916100000000 ] - [ -0.0000106800000000, -0.0001175800000000, -0.0001443800000000 ] - [ 0.0005990500000000, -0.0004122900000000, -0.0002048400000000 ] - [ 0.0000844000000000, 0.0000296500000000, 0.0001690800000000 ] - [ -0.0004416100000000, 0.0001463200000000, 0.0006083600000000 ] - [ -0.0000101600000000, 0.0001372100000000, -0.0001008400000000 ] - [ 0.0006433800000000, -0.0000066000000000, -0.0000253600000000 ] - [ 0.0006464800000000, -0.0000102700000000, 0.0000060500000000 ] - [ -0.0457513000000000, 0.0169262200000000, 0.0443352300000000 ] - [ 0.0000092400000000, 0.0000675200000000, 0.0000333900000000 ] - [ -0.0006862500000000, 0.0000245500000000, -0.0026300700000000 ] - [ -0.0006438100000000, -0.0000161400000000, 0.0000138900000000 ] - [ 0.0006119300000000, -0.0000027300000000, 0.0000160800000000 ] - [ 0.0006748500000000, -0.0000017100000000, 0.0000161100000000 ] - [ -0.0000167700000000, 0.0000916900000000, 0.0000786200000000 ] - [ -0.0000083800000000, 0.0001439900000000, 0.0000544900000000 ] - [ 0.0000171100000000, -0.0002110600000000, -0.0000651400000000 ] - [ 0.0000079600000000, -0.0001627700000000, -0.0000894000000000 ] - [ 0.0000187900000000, -0.0002403500000000, 0.0002487900000000 ] - [ 0.0000003500000000, -0.0001550100000000, 0.0000799100000000 ] - [ 0.0000956800000000, 0.0002547900000000, -0.0001780400000000 ] - [ 0.0000001500000000, 0.0000860100000000, -0.0001068300000000 ] - [ -0.0006784000000000, -0.0000158000000000, -0.0000079000000000 ] - [ -0.0006101200000000, -0.0000150900000000, -0.0000074000000000 ] - [ -0.0000133400000000, -0.0000955600000000, -0.0001152200000000 ] - [ -0.0000342700000000, -0.0000679100000000, -0.0000658400000000 ] - [ -0.0000926800000000, 0.0000669300000000, -0.0000057500000000 ] - [ 0.0000006300000000, -0.0000990000000000, 0.0000702300000000 ] - [ -0.0000134400000000, 0.0000710400000000, 0.0001026900000000 ] - [ 0.0000004200000000, 0.0001532800000000, -0.0000625000000000 ] - [ 0.0008558500000000, -0.0005745600000000, 0.0001771500000000 ] - [ 0.0004301000000000, -0.0005793400000000, 0.0001723200000000 ] - [ 0.0000141600000000, 0.0000844300000000, 0.0000555300000000 ] - [ 0.0000340800000000, 0.0001141400000000, 0.0001037600000000 ] - [ -0.0009836100000000, -0.0000661000000000, -0.0000122300000000 ] - [ -0.0003070100000000, -0.0000639100000000, -0.0000117700000000 ] - [ 0.0000938300000000, -0.0004684400000000, 0.0000449500000000 ] - [ 0.0000821900000000, -0.0004778800000000, 0.0000508400000000 ] - [ -0.0013364500000000, -0.0000787400000000, 0.0018339200000000 ] - [ -0.0000444200000000, -0.0000588200000000, 0.0004621300000000 ] - [ -0.0000126700000000, 0.0001121500000000, 0.0004417900000000 ] - [ -0.0000290500000000, 0.0000999900000000, 0.0004421600000000 ] - [ 0.0003157800000000, 0.0012912200000000, 0.0013381000000000 ] - [ -0.0000000500000000, 0.0003882900000000, -0.0002287400000000 ] - [ -0.0000058400000000, -0.0005157500000000, -0.0001111400000000 ] - [ -0.0000835600000000, -0.0004783800000000, 0.0000510200000000 ] - [ -0.0002644700000000, 0.0005822200000000, 0.0003977300000000 ] - [ 0.0000705200000000, 0.0001982100000000, 0.0004262600000000 ] - [ 0.0000745300000000, 0.0004925300000000, -0.0000554900000000 ] - [ 0.0000831700000000, 0.0004819900000000, -0.0000509200000000 ] - [ -0.0000422200000000, -0.0001964300000000, -0.0007555000000000 ] - [ -0.0000512800000000, 0.0000182500000000, 0.0000023700000000 ] - [ -0.0003134300000000, 0.0006726100000000, 0.0019334800000000 ] - [ -0.0000006400000000, -0.0002275100000000, 0.0003676000000000 ] - [ -0.0000511600000000, -0.0000152700000000, 0.0001933900000000 ] - [ -0.0000504700000000, -0.0000009800000000, -0.0000008700000000 ] - [ 0.0005676700000000, -0.0007322300000000, 0.0005500200000000 ] - [ 0.0000042700000000, 0.0003440000000000, 0.0001986300000000 ] - [ -0.0032524700000000, -0.0131564700000000, 0.0452177900000000 ] - [ 0.0000789600000000, -0.0004757400000000, -0.0000546800000000 ] - [ 0.0008876500000000, 0.0121963700000000, 0.0140130300000000 ] - [ 0.0000398000000000, 0.0000761400000000, -0.0004675400000000 ] - [ -0.0008634400000000, 0.0125673700000000, 0.0151174800000000 ] - [ 0.0000414100000000, -0.0000606400000000, 0.0004543100000000 ] - [ -0.0000706000000000, -0.0000261600000000, -0.0004790200000000 ] - [ -0.0000547800000000, -0.0000390000000000, -0.0004778700000000 ] - [ 0.0012610300000000, 0.0000553300000000, 0.0009195600000000 ] - [ -0.0000377400000000, 0.0000793100000000, -0.0004598000000000 ] - [ 0.0028712900000000, -0.0110992300000000, 0.0423779300000000 ] - [ 0.0000861300000000, 0.0004852800000000, 0.0000439700000000 ] - [ -0.0001651200000000, 0.0004457900000000, -0.0002104900000000 ] - [ -0.0000835900000000, 0.0004821300000000, -0.0000500600000000 ] - [ 0.0000512800000000, -0.0000107600000000, 0.0000733000000000 ] - [ 0.0000486300000000, 0.0000157400000000, 0.0000009300000000 ] - [ 0.0003461200000000, 0.0004436300000000, -0.0005247700000000 ] - [ 0.0000124200000000, 0.0000620300000000, -0.0004947000000000 ] - [ -0.0000608200000000, -0.0002372200000000, 0.0159780300000000 ] - [ 0.0000514000000000, -0.0000050300000000, -0.0000011800000000 ] - [ -0.0005855300000000, -0.0013816600000000, -0.0000274400000000 ] - [ -0.0000047200000000, -0.0002768300000000, -0.0003985100000000 ] - [ 0.0034001000000000, 0.0005145200000000, 0.0013563600000000 ] - [ -0.0000858800000000, 0.0004815500000000, 0.0000460800000000 ] - [ -0.0036280400000000, -0.0004465200000000, 0.0012372100000000 ] - [ -0.0000800400000000, -0.0004783400000000, -0.0000534500000000 ] - [ 0.0001735600000000, -0.0004240600000000, 0.0000793900000000 ] - [ 0.0000975000000000, -0.0005093600000000, 0.0000401600000000 ] - [ -0.0000251300000000, -0.0000692200000000, 0.0004512700000000 ] - [ -0.0000622000000000, -0.0000717700000000, 0.0004521800000000 ] - [ -0.0000278100000000, 0.0001144400000000, 0.0004615100000000 ] - [ -0.0000398800000000, 0.0000731700000000, 0.0004565400000000 ] - [ -0.0000122200000000, 0.0003160100000000, -0.0002772800000000 ] - [ 0.0000017900000000, 0.0003030600000000, -0.0003174100000000 ] - [ -0.0001691800000000, -0.0004575000000000, -0.0000077400000000 ] - [ -0.0000396900000000, -0.0004317000000000, 0.0000713300000000 ] - [ 0.0000554500000000, 0.0000491300000000, 0.0004380600000000 ] - [ 0.0000392700000000, 0.0000741300000000, 0.0004555100000000 ] - [ -0.0000071600000000, 0.0005372200000000, -0.0000254600000000 ] - [ 0.0000702900000000, 0.0004523900000000, -0.0000573800000000 ] - [ 0.0000528000000000, -0.0000047800000000, 0.0000054900000000 ] - [ -0.0001512100000000, -0.0000046200000000, 0.0000053200000000 ] - [ 0.0000110300000000, -0.0003030600000000, 0.0003190000000000 ] - [ -0.0000018600000000, -0.0003169600000000, 0.0002799500000000 ] - [ 0.0003791500000000, -0.0002026700000000, 0.0001058800000000 ] - [ -0.0004778900000000, -0.0002050200000000, 0.0001055000000000 ] - [ 0.0000638800000000, 0.0004295200000000, 0.0003594100000000 ] - [ -0.0000023300000000, 0.0002968000000000, 0.0003106300000000 ] - [ 0.0000766100000000, -0.0004650300000000, -0.0000600700000000 ] - [ 0.0000939800000000, -0.0004817600000000, -0.0000456900000000 ] - [ 0.0000348800000000, 0.0000769800000000, -0.0004589600000000 ] - [ 0.0000490300000000, 0.0000643200000000, -0.0004591300000000 ] - [ 0.0000501200000000, -0.0000620400000000, 0.0004613200000000 ] - [ 0.0000349000000000, -0.0000757000000000, 0.0004607300000000 ] - [ -0.0000550100000000, -0.0000237200000000, -0.0004596200000000 ] - [ -0.0000439900000000, -0.0000657100000000, -0.0004647400000000 ] - [ -0.0000609700000000, 0.0000706500000000, -0.0004689300000000 ] - [ -0.0000222600000000, 0.0000689200000000, -0.0004673200000000 ] - [ 0.0000930000000000, 0.0004959200000000, 0.0000419900000000 ] - [ 0.0000746200000000, 0.0004784200000000, 0.0000569500000000 ] - [ 0.0000009600000000, 0.0005020000000000, -0.0001100800000000 ] - [ -0.0001290700000000, 0.0005301200000000, -0.0000296800000000 ] - [ -0.0000314500000000, 0.0000378000000000, -0.0000388100000000 ] - [ 0.0001340800000000, 0.0000380900000000, -0.0000386400000000 ] - [ 0.0000267800000000, -0.0000894900000000, -0.0004823000000000 ] - [ 0.0000428000000000, -0.0000659300000000, -0.0004657100000000 ] - [ 0.0000721300000000, -0.0000164600000000, -0.0000055600000000 ] - [ 0.0000280200000000, -0.0000166100000000, -0.0000054000000000 ] - [ -0.0000648200000000, -0.0001862900000000, -0.0002444300000000 ] - [ 0.0000028100000000, -0.0003220700000000, -0.0002878200000000 ] - [ -0.0000613000000000, 0.0004764200000000, 0.0000782900000000 ] - [ -0.0000961900000000, 0.0004750200000000, 0.0000650100000000 ] - [ -0.0001088400000000, -0.0004846000000000, -0.0000239200000000 ] - [ -0.0000730000000000, -0.0004849100000000, -0.0000378700000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0490540100000000, -0.0458061700000000, 0.0211888700000000 ] - [ 0.0006398800000000, 0.0000150900000000, 0.0000056700000000 ] - [ -0.2650776600000000, 0.0014597100000000, -0.0004832000000000 ] - [ 0.0000017300000000, 0.0001553000000000, 0.0000718800000000 ] - [ -0.0042353000000000, -0.0001920900000000, -0.0000546400000000 ] - [ -0.0000153300000000, -0.0001511400000000, -0.0000705500000000 ] - [ -0.0019333600000000, -0.0001567100000000, 0.0000614600000000 ] - [ 0.0000177300000000, -0.0001518400000000, 0.0000733200000000 ] - [ 0.0000341100000000, 0.0000886400000000, -0.0000840600000000 ] - [ -0.0003948600000000, 0.0000912500000000, -0.0000852700000000 ] - [ 0.0001737300000000, -0.0000558200000000, -0.0000149600000000 ] - [ -0.0006414700000000, 0.0000066600000000, -0.0000002900000000 ] - [ 0.0088732800000000, 0.0000256400000000, -0.0000995400000000 ] - [ -0.0000267300000000, -0.0000906000000000, -0.0000877300000000 ] - [ 0.0025331000000000, -0.0000554800000000, 0.0001089900000000 ] - [ -0.0000081700000000, -0.0000903600000000, 0.0000842100000000 ] - [ 0.0002070600000000, 0.0001490700000000, -0.0000736600000000 ] - [ 0.0002054600000000, 0.0001541100000000, -0.0000721700000000 ] - [ 0.0014667400000000, 0.0000571400000000, 0.0000173300000000 ] - [ 0.0006462200000000, -0.0000050500000000, -0.0000002400000000 ] - [ 0.0088774800000000, 0.0001848700000000, 0.0000133200000000 ] - [ -0.0000054100000000, 0.0000953000000000, 0.0000884600000000 ] - [ 0.0466695500000000, 0.0448329700000000, -0.0207429200000000 ] - [ -0.0006453700000000, -0.0000123600000000, -0.0000044000000000 ] - [ 0.0006122500000000, -0.0000039800000000, -0.0000087800000000 ] - [ 0.0012576900000000, -0.0001090200000000, -0.0000169200000000 ] - [ 0.0000051200000000, 0.0001523600000000, 0.0000713900000000 ] - [ 0.0000054700000000, 0.0001508900000000, 0.0000727000000000 ] - [ 0.0002515400000000, -0.0001507800000000, -0.0000728400000000 ] - [ 0.0000049300000000, -0.0001527800000000, -0.0000720300000000 ] - [ 0.0000399700000000, -0.0001548100000000, 0.0000716500000000 ] - [ 0.0000144600000000, -0.0001530800000000, 0.0000704700000000 ] - [ 0.0000943800000000, 0.0000917000000000, -0.0000855600000000 ] - [ 0.0000069500000000, 0.0000934900000000, -0.0000870300000000 ] - [ -0.0006610300000000, 0.0000304100000000, -0.0000092200000000 ] - [ -0.0006446400000000, -0.0007127200000000, -0.0004401700000000 ] - [ 0.0001859100000000, -0.0000907200000000, -0.0000835000000000 ] - [ 0.0000120400000000, -0.0000920800000000, -0.0000857800000000 ] - [ 0.0001579000000000, -0.0000910600000000, 0.0000871700000000 ] - [ 0.0000156100000000, -0.0000906000000000, 0.0000868500000000 ] - [ 0.0002349200000000, 0.0001519300000000, -0.0000703000000000 ] - [ 0.0000035500000000, 0.0001556600000000, -0.0000706300000000 ] - [ 0.0006247600000000, -0.0000315700000000, 0.0000096400000000 ] - [ 0.0006423200000000, 0.0007098000000000, 0.0004433600000000 ] - [ -0.0000073100000000, 0.0000908400000000, 0.0000862400000000 ] - [ 0.0000938000000000, 0.0000888000000000, 0.0000820900000000 ] - [ -0.0006715300000000, 0.0000030800000000, 0.0000082200000000 ] - [ -0.0000236600000000, 0.0001069800000000, 0.0000170600000000 ] - [ 0.0000088200000000, -0.0004684900000000, 0.0000586700000000 ] - [ 0.0000820600000000, -0.0004792600000000, 0.0000555700000000 ] - [ 0.0327289500000000, -0.0068521500000000, -0.0211840800000000 ] - [ -0.0000373700000000, -0.0000735500000000, 0.0004617600000000 ] - [ 0.0000902000000000, 0.0001839700000000, 0.0004414200000000 ] - [ -0.0000437700000000, 0.0000655200000000, 0.0004633200000000 ] - [ 0.0002101700000000, 0.0002853500000000, -0.0003124200000000 ] - [ -0.0000018700000000, 0.0003122500000000, -0.0003011800000000 ] - [ -0.0001600300000000, -0.0004934400000000, 0.0000464300000000 ] - [ -0.0000875100000000, -0.0004800500000000, 0.0000488700000000 ] - [ 0.0001794700000000, -0.0000458600000000, 0.0004812600000000 ] - [ 0.0000425700000000, 0.0000800900000000, 0.0004557500000000 ] - [ 0.0000370600000000, 0.0004332100000000, -0.0001651800000000 ] - [ 0.0000820100000000, 0.0004798600000000, -0.0000551900000000 ] - [ -0.0008895800000000, 0.0001231700000000, 0.0004095900000000 ] - [ -0.0000538200000000, 0.0000010000000000, -0.0000008700000000 ] - [ -0.0006830300000000, -0.0003133800000000, 0.0003233900000000 ] - [ -0.0000060500000000, -0.0003093800000000, 0.0002969700000000 ] - [ 0.0027535400000000, -0.0011717300000000, 0.0005233300000000 ] - [ -0.0000394000000000, 0.0000051400000000, -0.0000000900000000 ] - [ 0.0001824200000000, 0.0003081400000000, 0.0003016900000000 ] - [ -0.0000099300000000, 0.0003081300000000, 0.0003020500000000 ] - [ 0.0015316900000000, -0.0026120100000000, 0.0004784400000000 ] - [ 0.0000889000000000, -0.0004787800000000, -0.0000458200000000 ] - [ 0.0015079200000000, -0.0017139600000000, 0.0008286800000000 ] - [ 0.0000481400000000, 0.0000684500000000, -0.0004708200000000 ] - [ 0.0340716000000000, 0.0070494100000000, 0.0234211800000000 ] - [ 0.0000422900000000, -0.0000719700000000, 0.0004574700000000 ] - [ -0.0000656900000000, -0.0000751100000000, -0.0004547900000000 ] - [ 0.0000115200000000, -0.0000456500000000, -0.0005086300000000 ] - [ 0.0014356400000000, 0.0018462500000000, -0.0017405300000000 ] - [ -0.0000396400000000, 0.0000710100000000, -0.0004514900000000 ] - [ 0.0349088400000000, -0.0130128000000000, -0.0209593900000000 ] - [ 0.0000870700000000, 0.0004834600000000, 0.0000503000000000 ] - [ -0.0001319600000000, 0.0005234400000000, 0.0000582300000000 ] - [ -0.0000850700000000, 0.0004822200000000, -0.0000516000000000 ] - [ -0.0007942100000000, -0.0001260100000000, -0.0004102500000000 ] - [ 0.0000436200000000, 0.0000021200000000, 0.0000003300000000 ] - [ 0.0000215100000000, -0.0000698300000000, -0.0004642800000000 ] - [ 0.0000964300000000, -0.0000954900000000, -0.0004107500000000 ] - [ 0.0028421600000000, 0.0011689200000000, -0.0005237400000000 ] - [ 0.0000562800000000, -0.0000021300000000, 0.0000008000000000 ] - [ 0.0075812700000000, -0.0003185300000000, -0.0003389500000000 ] - [ -0.0000014600000000, -0.0003127100000000, -0.0002997400000000 ] - [ 0.0334627800000000, 0.0131817500000000, 0.0199346300000000 ] - [ -0.0000792600000000, 0.0004772900000000, 0.0000551500000000 ] - [ 0.0013744600000000, 0.0016388200000000, -0.0005803300000000 ] - [ -0.0000798200000000, -0.0004792100000000, -0.0000569000000000 ] - [ 0.0003863700000000, -0.0005342600000000, -0.0002733100000000 ] - [ 0.0000925500000000, -0.0004844100000000, 0.0000539600000000 ] - [ -0.0000359900000000, -0.0000816200000000, 0.0004628200000000 ] - [ -0.0001028500000000, -0.0000676700000000, 0.0004512100000000 ] - [ -0.0001044200000000, 0.0000334500000000, 0.0004623500000000 ] - [ -0.0000468600000000, 0.0000678200000000, 0.0004642300000000 ] - [ 0.0000097200000000, 0.0003084700000000, -0.0003010900000000 ] - [ 0.0000048100000000, 0.0003114500000000, -0.0002975900000000 ] - [ 0.0002167700000000, -0.0004295100000000, 0.0003736800000000 ] - [ -0.0000779500000000, -0.0004761400000000, 0.0000531100000000 ] - [ -0.0000209200000000, 0.0001089000000000, 0.0004572400000000 ] - [ 0.0000400800000000, 0.0000735800000000, 0.0004563800000000 ] - [ 0.0000933400000000, 0.0004767000000000, -0.0000325800000000 ] - [ 0.0002097500000000, 0.0006849900000000, -0.0002915500000000 ] - [ -0.0000541400000000, -0.0000004800000000, -0.0000016600000000 ] - [ -0.0000681900000000, 0.0000423700000000, 0.0000545600000000 ] - [ -0.0000189200000000, -0.0003098200000000, 0.0002994300000000 ] - [ 0.0000006000000000, -0.0003128100000000, 0.0003003900000000 ] - [ -0.0000215800000000, -0.0000322700000000, 0.0000011600000000 ] - [ -0.0006245300000000, -0.0003120600000000, 0.0000327700000000 ] - [ -0.0000177900000000, 0.0003109200000000, 0.0002995700000000 ] - [ 0.0000006300000000, 0.0003106900000000, 0.0003020000000000 ] - [ 0.0000182100000000, -0.0004651300000000, -0.0001420900000000 ] - [ 0.0000861400000000, -0.0004814000000000, -0.0000536200000000 ] - [ -0.0000004300000000, 0.0001931400000000, -0.0004027100000000 ] - [ 0.0000427400000000, 0.0000743800000000, -0.0004606800000000 ] - [ 0.0000491500000000, -0.0000634200000000, 0.0004579900000000 ] - [ -0.0000146100000000, -0.0000753900000000, 0.0004667100000000 ] - [ -0.0001191000000000, -0.0000097200000000, -0.0005001100000000 ] - [ -0.0000429600000000, -0.0000713500000000, -0.0004586100000000 ] - [ -0.0000884000000000, -0.0000497900000000, -0.0005148900000000 ] - [ -0.0000404700000000, 0.0000706400000000, -0.0004594800000000 ] - [ 0.0000828300000000, 0.0004781000000000, 0.0000559700000000 ] - [ 0.0000327600000000, 0.0004498000000000, 0.0000676300000000 ] - [ -0.0000765200000000, 0.0004827100000000, -0.0000756700000000 ] - [ 0.0000383200000000, 0.0002728200000000, 0.0001812100000000 ] - [ 0.0000399600000000, -0.0000006400000000, 0.0000018300000000 ] - [ 0.0000288600000000, -0.0000423000000000, -0.0000552700000000 ] - [ -0.0000332900000000, -0.0001338800000000, -0.0004214000000000 ] - [ 0.0000397300000000, -0.0000731600000000, -0.0004596500000000 ] - [ 0.0000788100000000, 0.0000324700000000, -0.0000015600000000 ] - [ -0.0005266900000000, 0.0003101600000000, -0.0000344000000000 ] - [ 0.0000054600000000, -0.0003108800000000, -0.0003022100000000 ] - [ 0.0000086300000000, -0.0003107700000000, -0.0002995100000000 ] - [ -0.0000860000000000, 0.0004798200000000, 0.0000502500000000 ] - [ -0.0001394200000000, 0.0005108200000000, 0.0000400000000000 ] - [ -0.0001540100000000, -0.0004962400000000, 0.0000338900000000 ] - [ -0.0000819000000000, -0.0004774900000000, -0.0000529100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0268502600000000, 0.0431280800000000, -0.0164108400000000 ] - [ 0.0007505700000000, 0.0002289100000000, -0.0000226400000000 ] - [ 0.0000000000000000, -0.2817648000000000, 0.0053326300000000 ] - [ 0.0000000000000000, 0.0005507200000000, -0.0000219300000000 ] - [ 0.0000000000000000, 0.0092241400000000, -0.0060188700000000 ] - [ 0.0000000000000000, 0.0003449000000000, -0.0001712200000000 ] - [ 0.0000000000000000, -0.0017458200000000, 0.0000209000000000 ] - [ 0.0000000000000000, 0.0003281300000000, 0.0001982800000000 ] - [ 0.0000000000000000, 0.0001092900000000, -0.0008260400000000 ] - [ 0.0000000000000000, 0.0002587200000000, -0.0005240400000000 ] - [ -0.0012003000000000, -0.0001193700000000, 0.0000840700000000 ] - [ -0.0005462100000000, 0.0001294600000000, 0.0000019400000000 ] - [ 0.0000000000000000, 0.0765760100000000, 0.0151383100000000 ] - [ 0.0000000000000000, 0.0001994600000000, 0.0002165500000000 ] - [ 0.0000000000000000, 0.0018048700000000, -0.0075652500000000 ] - [ 0.0000000000000000, 0.0001286200000000, -0.0002056300000000 ] - [ 0.0000000000000000, 0.0009582400000000, 0.0001470600000000 ] - [ 0.0000000000000000, 0.0009573200000000, 0.0000066500000000 ] - [ 0.0012003000000000, -0.0001193700000000, 0.0000840700000000 ] - [ 0.0005462100000000, 0.0001294600000000, 0.0000019400000000 ] - [ 0.0000000000000000, 0.0200371900000000, -0.0160182200000000 ] - [ 0.0000000000000000, 0.0003262800000000, 0.0003276800000000 ] - [ 0.0268502600000000, 0.0431280800000000, -0.0164108400000000 ] - [ -0.0007505700000000, 0.0002289100000000, -0.0000226400000000 ] - [ 0.0007330500000000, 0.0001133500000000, -0.0000090700000000 ] - [ -0.0002487600000000, -0.0002585600000000, -0.0000602300000000 ] - [ 0.0000000000000000, 0.0003153900000000, 0.0000515600000000 ] - [ 0.0000000000000000, 0.0003149400000000, 0.0000866100000000 ] - [ 0.0000000000000000, -0.0005924700000000, -0.0000222000000000 ] - [ 0.0000000000000000, 0.0000976300000000, -0.0000964300000000 ] - [ 0.0000000000000000, -0.0000513200000000, 0.0000753700000000 ] - [ 0.0000000000000000, -0.0000036900000000, 0.0000560800000000 ] - [ 0.0000000000000000, -0.0002000000000000, 0.0000008200000000 ] - [ 0.0000000000000000, 0.0002567700000000, -0.0001790700000000 ] - [ -0.0004658300000000, 0.0000981300000000, 0.0000168500000000 ] - [ -0.0013964500000000, -0.0002994200000000, 0.0000052900000000 ] - [ 0.0000000000000000, -0.0003578000000000, -0.0001875900000000 ] - [ 0.0000000000000000, 0.0000669900000000, 0.0000042000000000 ] - [ 0.0000000000000000, 0.0001083500000000, 0.0001533300000000 ] - [ 0.0000000000000000, 0.0000499100000000, 0.0000533600000000 ] - [ 0.0000000000000000, -0.0005498800000000, 0.0001321400000000 ] - [ 0.0000000000000000, 0.0004011100000000, -0.0000437700000000 ] - [ 0.0004658300000000, 0.0000981300000000, 0.0000168500000000 ] - [ 0.0013964500000000, -0.0002994200000000, 0.0000052900000000 ] - [ 0.0000000000000000, 0.0001945700000000, 0.0001184700000000 ] - [ 0.0000000000000000, 0.0000716700000000, 0.0001019100000000 ] - [ -0.0007330500000000, 0.0001133500000000, -0.0000090700000000 ] - [ 0.0002487600000000, -0.0002585600000000, -0.0000602300000000 ] - [ 0.0000335700000000, -0.0004410200000000, 0.0000279900000000 ] - [ 0.0001085500000000, -0.0005115700000000, 0.0000330800000000 ] - [ -0.0109546100000000, 0.0093416200000000, 0.0133768000000000 ] - [ 0.0000110900000000, -0.0002050600000000, 0.0004169700000000 ] - [ 0.0001915700000000, 0.0001666400000000, 0.0007548800000000 ] - [ -0.0001176600000000, -0.0000558400000000, 0.0005049300000000 ] - [ 0.0000000000000000, 0.0013667500000000, 0.0013891800000000 ] - [ 0.0000000000000000, -0.0001148800000000, -0.0007098400000000 ] - [ -0.0000335700000000, -0.0004410200000000, 0.0000279900000000 ] - [ -0.0001085500000000, -0.0005115700000000, 0.0000330800000000 ] - [ -0.0001915700000000, 0.0001666400000000, 0.0007548800000000 ] - [ 0.0001176600000000, -0.0000558400000000, 0.0005049300000000 ] - [ 0.0000792600000000, 0.0004456900000000, -0.0001299200000000 ] - [ 0.0000689300000000, 0.0004526300000000, -0.0000817900000000 ] - [ 0.0004828100000000, 0.0000117300000000, -0.0002943400000000 ] - [ -0.0001379000000000, -0.0000968300000000, -0.0000098600000000 ] - [ 0.0000000000000000, -0.0017669700000000, 0.0015737500000000 ] - [ 0.0000000000000000, -0.0008578300000000, -0.0002752500000000 ] - [ 0.0000965200000000, -0.0017599300000000, 0.0007522700000000 ] - [ 0.0000655300000000, -0.0000446200000000, 0.0000068700000000 ] - [ 0.0000000000000000, -0.0017620400000000, 0.0019496000000000 ] - [ 0.0000000000000000, -0.0001746300000000, 0.0006212100000000 ] - [ -0.0004421900000000, 0.0005445200000000, -0.0001057200000000 ] - [ 0.0001142500000000, -0.0005278800000000, -0.0000222500000000 ] - [ -0.0006033700000000, 0.0031065100000000, -0.0010153700000000 ] - [ 0.0001264300000000, -0.0000686400000000, -0.0005114700000000 ] - [ 0.0109546100000000, 0.0093416200000000, 0.0133768000000000 ] - [ -0.0000110900000000, -0.0002050600000000, 0.0004169700000000 ] - [ -0.0000418800000000, -0.0001589700000000, -0.0004550600000000 ] - [ 0.0000828600000000, -0.0001713700000000, -0.0003171800000000 ] - [ 0.0006033700000000, 0.0031065100000000, -0.0010153700000000 ] - [ -0.0001264300000000, -0.0000686400000000, -0.0005114700000000 ] - [ -0.0084858800000000, 0.0121110100000000, 0.0092454200000000 ] - [ 0.0000477800000000, 0.0004255000000000, 0.0000935500000000 ] - [ -0.0000792600000000, 0.0004456900000000, -0.0001299200000000 ] - [ -0.0000689300000000, 0.0004526300000000, -0.0000817900000000 ] - [ -0.0004828100000000, 0.0000117300000000, -0.0002943400000000 ] - [ 0.0001379000000000, -0.0000968300000000, -0.0000098600000000 ] - [ 0.0000418800000000, -0.0001589700000000, -0.0004550600000000 ] - [ -0.0000828600000000, -0.0001713700000000, -0.0003171800000000 ] - [ -0.0000965200000000, -0.0017599300000000, 0.0007522700000000 ] - [ -0.0000655300000000, -0.0000446200000000, 0.0000068700000000 ] - [ 0.0000000000000000, 0.0444704500000000, -0.0074670700000000 ] - [ 0.0000000000000000, -0.0007335200000000, 0.0001175300000000 ] - [ 0.0084858800000000, 0.0121110100000000, 0.0092454200000000 ] - [ -0.0000477800000000, 0.0004255000000000, 0.0000935500000000 ] - [ 0.0004421900000000, 0.0005445200000000, -0.0001057200000000 ] - [ -0.0001142500000000, -0.0005278800000000, -0.0000222500000000 ] - [ -0.0000305600000000, -0.0003826600000000, 0.0004150400000000 ] - [ 0.0001403200000000, -0.0005373400000000, 0.0000435300000000 ] - [ -0.0000220500000000, -0.0001225600000000, 0.0004203900000000 ] - [ -0.0000615100000000, -0.0000410000000000, 0.0004652500000000 ] - [ -0.0000470600000000, 0.0001313400000000, 0.0004327500000000 ] - [ -0.0000787600000000, 0.0000027400000000, 0.0004975100000000 ] - [ 0.0000000000000000, 0.0002299800000000, -0.0003899100000000 ] - [ 0.0000000000000000, 0.0001727700000000, -0.0003765600000000 ] - [ 0.0000305600000000, -0.0003826600000000, 0.0004150400000000 ] - [ -0.0001403200000000, -0.0005373400000000, 0.0000435300000000 ] - [ 0.0000470600000000, 0.0001313400000000, 0.0004327500000000 ] - [ 0.0000787600000000, 0.0000027400000000, 0.0004975100000000 ] - [ 0.0000791100000000, 0.0004505300000000, -0.0000241700000000 ] - [ 0.0001227600000000, 0.0004160700000000, 0.0002497800000000 ] - [ -0.0002266600000000, -0.0000223800000000, -0.0000072200000000 ] - [ 0.0007394400000000, 0.0001104200000000, -0.0001077600000000 ] - [ 0.0000000000000000, 0.0002040800000000, 0.0006969200000000 ] - [ 0.0000000000000000, -0.0005717600000000, 0.0000808000000000 ] - [ 0.0000502100000000, -0.0000585600000000, 0.0000016300000000 ] - [ -0.0010932200000000, -0.0000134900000000, -0.0001371400000000 ] - [ 0.0000000000000000, 0.0007997000000000, -0.0000868700000000 ] - [ 0.0000000000000000, 0.0000575900000000, 0.0005284900000000 ] - [ 0.0000909000000000, -0.0004600300000000, -0.0001109400000000 ] - [ 0.0001035400000000, -0.0005034700000000, -0.0000328100000000 ] - [ -0.0000003500000000, 0.0001648900000000, -0.0004197800000000 ] - [ 0.0000771900000000, 0.0000077100000000, -0.0004873100000000 ] - [ 0.0000220500000000, -0.0001225600000000, 0.0004203900000000 ] - [ 0.0000615100000000, -0.0000410000000000, 0.0004652500000000 ] - [ -0.0001224500000000, 0.0000298800000000, -0.0005396000000000 ] - [ -0.0000124800000000, -0.0001505300000000, -0.0004286000000000 ] - [ 0.0000003500000000, 0.0001648900000000, -0.0004197800000000 ] - [ -0.0000771900000000, 0.0000077100000000, -0.0004873100000000 ] - [ 0.0000629900000000, 0.0004482900000000, 0.0000823100000000 ] - [ 0.0001236600000000, 0.0005242300000000, 0.0000480500000000 ] - [ -0.0000791100000000, 0.0004505300000000, -0.0000241700000000 ] - [ -0.0001227600000000, 0.0004160700000000, 0.0002497800000000 ] - [ 0.0002266600000000, -0.0000223800000000, -0.0000072200000000 ] - [ -0.0007394400000000, 0.0001104200000000, -0.0001077600000000 ] - [ 0.0001224500000000, 0.0000298800000000, -0.0005396000000000 ] - [ 0.0000124800000000, -0.0001505300000000, -0.0004286000000000 ] - [ -0.0000502100000000, -0.0000585600000000, 0.0000016300000000 ] - [ 0.0010932200000000, -0.0000134900000000, -0.0001371400000000 ] - [ 0.0000000000000000, -0.0004568400000000, -0.0002776800000000 ] - [ 0.0000000000000000, -0.0004358100000000, -0.0001880700000000 ] - [ -0.0000629900000000, 0.0004482900000000, 0.0000823100000000 ] - [ -0.0001236600000000, 0.0005242300000000, 0.0000480500000000 ] - [ -0.0000909000000000, -0.0004600300000000, -0.0001109400000000 ] - [ -0.0001035400000000, -0.0005034700000000, -0.0000328100000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0290800900000000, -0.0438816800000000, 0.0168509000000000 ] - [ 0.0005378200000000, -0.0002294200000000, 0.0000237600000000 ] - [ 0.0000000000000000, 0.2843873600000000, -0.0041053600000000 ] - [ 0.0000000000000000, -0.0002455500000000, 0.0001663300000000 ] - [ 0.0000000000000000, -0.0096716300000000, 0.0060446300000000 ] - [ 0.0000000000000000, -0.0006514000000000, 0.0000294700000000 ] - [ 0.0000000000000000, 0.0014115900000000, 0.0001130900000000 ] - [ 0.0000000000000000, -0.0006368300000000, -0.0000542700000000 ] - [ 0.0000000000000000, 0.0000726500000000, 0.0006788600000000 ] - [ 0.0000000000000000, -0.0000791500000000, 0.0003580500000000 ] - [ -0.0000947300000000, 0.0001222400000000, -0.0000840100000000 ] - [ -0.0007386300000000, -0.0001285800000000, -0.0000026100000000 ] - [ 0.0000000000000000, -0.0793336400000000, -0.0162546500000000 ] - [ 0.0000000000000000, -0.0003838400000000, -0.0003913000000000 ] - [ 0.0000000000000000, -0.0019617300000000, 0.0077799800000000 ] - [ 0.0000000000000000, -0.0003139400000000, 0.0003787800000000 ] - [ 0.0000000000000000, -0.0006537400000000, -0.0002889600000000 ] - [ 0.0000000000000000, -0.0006512900000000, -0.0001515900000000 ] - [ 0.0000947300000000, 0.0001222400000000, -0.0000840100000000 ] - [ 0.0007386300000000, -0.0001285800000000, -0.0000026100000000 ] - [ 0.0000000000000000, -0.0199455300000000, 0.0164826700000000 ] - [ 0.0000000000000000, -0.0001413900000000, -0.0001542600000000 ] - [ -0.0290800900000000, -0.0438816800000000, 0.0168509000000000 ] - [ -0.0005378200000000, -0.0002294200000000, 0.0000237600000000 ] - [ 0.0005465500000000, -0.0001133300000000, 0.0000087300000000 ] - [ 0.0015327000000000, 0.0002563600000000, 0.0000595500000000 ] - [ 0.0000000000000000, -0.0000121600000000, 0.0000916400000000 ] - [ 0.0000000000000000, -0.0000116400000000, 0.0000568800000000 ] - [ 0.0000000000000000, 0.0002887900000000, -0.0001222200000000 ] - [ 0.0000000000000000, -0.0004016200000000, -0.0000480300000000 ] - [ 0.0000000000000000, -0.0002514300000000, 0.0000680800000000 ] - [ 0.0000000000000000, -0.0003011700000000, 0.0000857900000000 ] - [ 0.0000000000000000, 0.0003873000000000, -0.0001750200000000 ] - [ 0.0000000000000000, -0.0000727700000000, 0.0000098900000000 ] - [ -0.0008202500000000, -0.0000978200000000, -0.0000170100000000 ] - [ 0.0001062700000000, 0.0003010700000000, -0.0000084800000000 ] - [ 0.0000000000000000, 0.0001760300000000, 0.0000222600000000 ] - [ 0.0000000000000000, -0.0002523000000000, -0.0001766100000000 ] - [ 0.0000000000000000, -0.0002891900000000, 0.0000175800000000 ] - [ 0.0000000000000000, -0.0002311100000000, 0.0001169600000000 ] - [ 0.0000000000000000, 0.0008560300000000, -0.0002758100000000 ] - [ 0.0000000000000000, -0.0000951300000000, -0.0000998500000000 ] - [ 0.0008202500000000, -0.0000978200000000, -0.0000170100000000 ] - [ -0.0001062700000000, 0.0003010700000000, -0.0000084800000000 ] - [ 0.0000000000000000, -0.0000105600000000, 0.0000547100000000 ] - [ 0.0000000000000000, 0.0001075500000000, 0.0000623800000000 ] - [ -0.0005465500000000, -0.0001133300000000, 0.0000087300000000 ] - [ -0.0015327000000000, 0.0002563600000000, 0.0000595500000000 ] - [ 0.0001384700000000, -0.0005197500000000, 0.0000813500000000 ] - [ 0.0000640500000000, -0.0004465100000000, 0.0000765900000000 ] - [ 0.0107017200000000, -0.0094782200000000, -0.0122902300000000 ] - [ -0.0000974900000000, 0.0000579500000000, 0.0005038300000000 ] - [ -0.0002801300000000, -0.0000232300000000, 0.0001680300000000 ] - [ 0.0000291000000000, 0.0002075800000000, 0.0004142000000000 ] - [ 0.0000000000000000, -0.0006897300000000, -0.0020063200000000 ] - [ 0.0000000000000000, 0.0007424800000000, 0.0001084100000000 ] - [ -0.0001384700000000, -0.0005197500000000, 0.0000813500000000 ] - [ -0.0000640500000000, -0.0004465100000000, 0.0000765900000000 ] - [ 0.0002801300000000, -0.0000232300000000, 0.0001680300000000 ] - [ -0.0000291000000000, 0.0002075800000000, 0.0004142000000000 ] - [ 0.0000930100000000, 0.0005126000000000, 0.0000193100000000 ] - [ 0.0001023800000000, 0.0005089200000000, -0.0000296500000000 ] - [ -0.0005706200000000, -0.0000130700000000, 0.0002907900000000 ] - [ 0.0000460300000000, 0.0000998500000000, 0.0000094900000000 ] - [ 0.0000000000000000, 0.0011737900000000, -0.0010419700000000 ] - [ 0.0000000000000000, 0.0002381800000000, 0.0008786500000000 ] - [ -0.0001986900000000, 0.0018174500000000, -0.0007597700000000 ] - [ -0.0001565000000000, 0.0000462900000000, -0.0000062000000000 ] - [ 0.0000000000000000, 0.0024510100000000, -0.0013908800000000 ] - [ 0.0000000000000000, 0.0008006900000000, -0.0000230900000000 ] - [ 0.0006215700000000, -0.0015226800000000, 0.0000189400000000 ] - [ 0.0000567300000000, -0.0004299000000000, -0.0000869200000000 ] - [ 0.0007321400000000, -0.0030251600000000, 0.0000917200000000 ] - [ -0.0000368400000000, 0.0002150000000000, -0.0004099800000000 ] - [ -0.0107017200000000, -0.0094782200000000, -0.0122902300000000 ] - [ 0.0000974900000000, 0.0000579500000000, 0.0005038300000000 ] - [ -0.0000499800000000, 0.0000105900000000, -0.0004651900000000 ] - [ -0.0001738700000000, 0.0000279100000000, -0.0006029000000000 ] - [ -0.0007321400000000, -0.0030251600000000, 0.0000917200000000 ] - [ 0.0000368400000000, 0.0002150000000000, -0.0004099800000000 ] - [ 0.0091331600000000, -0.0112658900000000, -0.0095572900000000 ] - [ 0.0001233100000000, 0.0005349600000000, 0.0000150800000000 ] - [ -0.0000930100000000, 0.0005126000000000, 0.0000193100000000 ] - [ -0.0001023800000000, 0.0005089200000000, -0.0000296500000000 ] - [ 0.0005706200000000, -0.0000130700000000, 0.0002907900000000 ] - [ -0.0000460300000000, 0.0000998500000000, 0.0000094900000000 ] - [ 0.0000499800000000, 0.0000105900000000, -0.0004651900000000 ] - [ 0.0001738700000000, 0.0000279100000000, -0.0006029000000000 ] - [ 0.0001986900000000, 0.0018174500000000, -0.0007597700000000 ] - [ 0.0001565000000000, 0.0000462900000000, -0.0000062000000000 ] - [ 0.0000000000000000, -0.0429914800000000, 0.0059654200000000 ] - [ 0.0000000000000000, 0.0001120700000000, -0.0007265000000000 ] - [ -0.0091331600000000, -0.0112658900000000, -0.0095572900000000 ] - [ -0.0001233100000000, 0.0005349600000000, 0.0000150800000000 ] - [ -0.0006215700000000, -0.0015226800000000, 0.0000189400000000 ] - [ -0.0000567300000000, -0.0004299000000000, -0.0000869200000000 ] - [ 0.0002001900000000, -0.0005799700000000, -0.0003078900000000 ] - [ 0.0000334600000000, -0.0004220900000000, 0.0000672900000000 ] - [ -0.0000668300000000, -0.0000261700000000, 0.0005006300000000 ] - [ -0.0000294000000000, -0.0001063700000000, 0.0004537600000000 ] - [ -0.0000419200000000, 0.0000136900000000, 0.0004877300000000 ] - [ -0.0000125300000000, 0.0001436500000000, 0.0004235800000000 ] - [ 0.0000000000000000, 0.0003884000000000, -0.0002160000000000 ] - [ 0.0000000000000000, 0.0004522200000000, -0.0002235700000000 ] - [ -0.0002001900000000, -0.0005799700000000, -0.0003078900000000 ] - [ -0.0000334600000000, -0.0004220900000000, 0.0000672900000000 ] - [ 0.0000419200000000, 0.0000136900000000, 0.0004877300000000 ] - [ 0.0000125300000000, 0.0001436500000000, 0.0004235800000000 ] - [ 0.0000939100000000, 0.0005080000000000, -0.0000885200000000 ] - [ 0.0000534400000000, 0.0005474100000000, -0.0003602700000000 ] - [ 0.0001426300000000, 0.0000205700000000, 0.0000078100000000 ] - [ -0.0008335500000000, -0.0001107500000000, 0.0001078300000000 ] - [ 0.0000000000000000, -0.0008280400000000, -0.0000959900000000 ] - [ 0.0000000000000000, -0.0000536600000000, 0.0005234500000000 ] - [ -0.0001464300000000, 0.0000585800000000, -0.0000018000000000 ] - [ 0.0009992700000000, 0.0000130500000000, 0.0001350800000000 ] - [ 0.0000000000000000, -0.0001793400000000, 0.0006951300000000 ] - [ 0.0000000000000000, 0.0005666000000000, 0.0000778400000000 ] - [ 0.0000839000000000, -0.0004995500000000, -0.0000006600000000 ] - [ 0.0000678900000000, -0.0004549700000000, -0.0000779600000000 ] - [ 0.0000911800000000, -0.0000161300000000, -0.0004983300000000 ] - [ 0.0000098200000000, 0.0001418700000000, -0.0004332200000000 ] - [ 0.0000668300000000, -0.0000261700000000, 0.0005006300000000 ] - [ 0.0000294000000000, -0.0001063700000000, 0.0004537600000000 ] - [ 0.0000352300000000, -0.0001793500000000, -0.0003809100000000 ] - [ -0.0000742800000000, 0.0000013200000000, -0.0004902400000000 ] - [ -0.0000911800000000, -0.0000161300000000, -0.0004983300000000 ] - [ -0.0000098200000000, 0.0001418700000000, -0.0004332200000000 ] - [ 0.0001088200000000, 0.0005091200000000, 0.0000284000000000 ] - [ 0.0000503200000000, 0.0004354200000000, 0.0000637500000000 ] - [ -0.0000939100000000, 0.0005080000000000, -0.0000885200000000 ] - [ -0.0000534400000000, 0.0005474100000000, -0.0003602700000000 ] - [ -0.0001426300000000, 0.0000205700000000, 0.0000078100000000 ] - [ 0.0008335500000000, -0.0001107500000000, 0.0001078300000000 ] - [ -0.0000352300000000, -0.0001793500000000, -0.0003809100000000 ] - [ 0.0000742800000000, 0.0000013200000000, -0.0004902400000000 ] - [ 0.0001464300000000, 0.0000585800000000, -0.0000018000000000 ] - [ -0.0009992700000000, 0.0000130500000000, 0.0001350800000000 ] - [ 0.0000000000000000, -0.0001674200000000, -0.0003251900000000 ] - [ 0.0000000000000000, -0.0001860500000000, -0.0004156300000000 ] - [ -0.0001088200000000, 0.0005091200000000, 0.0000284000000000 ] - [ -0.0000503200000000, 0.0004354200000000, 0.0000637500000000 ] - [ -0.0000839000000000, -0.0004995500000000, -0.0000006600000000 ] - [ -0.0000678900000000, -0.0004549700000000, -0.0000779600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0136159500000000, -0.0166465600000000, 0.0154454400000000 ] - [ 0.0005922700000000, -0.0000661500000000, 0.0000068600000000 ] - [ 0.0000000000000000, 0.0056534500000000, -0.2704558400000000 ] - [ 0.0000000000000000, 0.0000620200000000, 0.0000967800000000 ] - [ 0.0000000000000000, -0.0062487400000000, -0.0013796500000000 ] - [ 0.0000000000000000, -0.0002514000000000, -0.0000783800000000 ] - [ 0.0000000000000000, -0.0001157800000000, 0.0014624000000000 ] - [ 0.0000000000000000, -0.0002767600000000, 0.0000412500000000 ] - [ 0.0000000000000000, 0.0001072500000000, 0.0002945300000000 ] - [ 0.0000000000000000, 0.0006044800000000, -0.0002691400000000 ] - [ -0.0008710000000000, 0.0000238800000000, 0.0001753400000000 ] - [ -0.0006927800000000, -0.0000193100000000, 0.0000075000000000 ] - [ 0.0000000000000000, 0.0338198200000000, 0.0201906100000000 ] - [ 0.0000000000000000, -0.0001806800000000, -0.0002173600000000 ] - [ 0.0000000000000000, -0.0030136800000000, 0.0021180400000000 ] - [ 0.0000000000000000, -0.0001063400000000, 0.0001582900000000 ] - [ 0.0000000000000000, 0.0000726900000000, -0.0000146500000000 ] - [ 0.0000000000000000, -0.0000677300000000, -0.0000154900000000 ] - [ 0.0008710000000000, 0.0000238800000000, 0.0001753400000000 ] - [ 0.0006927800000000, -0.0000193100000000, 0.0000075000000000 ] - [ 0.0000000000000000, -0.0342984300000000, 0.0798133000000000 ] - [ 0.0000000000000000, 0.0000436200000000, 0.0000317000000000 ] - [ -0.0136159500000000, -0.0166465600000000, 0.0154454400000000 ] - [ -0.0005922700000000, -0.0000661500000000, 0.0000068600000000 ] - [ 0.0005784500000000, -0.0000196200000000, -0.0000182600000000 ] - [ 0.0005181700000000, 0.0000952200000000, 0.0000067500000000 ] - [ 0.0000000000000000, 0.0001669000000000, 0.0000338900000000 ] - [ 0.0000000000000000, 0.0001313700000000, 0.0000339400000000 ] - [ 0.0000000000000000, -0.0001007400000000, -0.0001323900000000 ] - [ 0.0000000000000000, -0.0001769200000000, -0.0000756700000000 ] - [ 0.0000000000000000, -0.0001557900000000, 0.0001430800000000 ] - [ 0.0000000000000000, -0.0001381600000000, 0.0000984200000000 ] - [ 0.0000000000000000, 0.0000486900000000, 0.0000552700000000 ] - [ 0.0000000000000000, 0.0000736900000000, -0.0000839900000000 ] - [ -0.0007379000000000, 0.0000110100000000, -0.0000292100000000 ] - [ -0.0003475600000000, -0.0002165200000000, 0.0006786200000000 ] - [ 0.0000000000000000, 0.0000201300000000, -0.0002572300000000 ] - [ 0.0000000000000000, -0.0001043300000000, -0.0000903100000000 ] - [ 0.0000000000000000, 0.0001848400000000, 0.0000230800000000 ] - [ 0.0000000000000000, -0.0001037500000000, 0.0000457000000000 ] - [ 0.0000000000000000, -0.0000519100000000, 0.0001782400000000 ] - [ 0.0000000000000000, 0.0001285800000000, -0.0000700200000000 ] - [ 0.0007379000000000, 0.0000110100000000, -0.0000292100000000 ] - [ 0.0003475600000000, -0.0002165200000000, 0.0006786200000000 ] - [ 0.0000000000000000, 0.0000873400000000, 0.0001375000000000 ] - [ 0.0000000000000000, 0.0002430200000000, 0.0000910800000000 ] - [ -0.0005784500000000, -0.0000196200000000, -0.0000182600000000 ] - [ -0.0005181700000000, 0.0000952200000000, 0.0000067500000000 ] - [ 0.0000965500000000, -0.0005202700000000, -0.0000014600000000 ] - [ 0.0000829600000000, -0.0004749200000000, 0.0000536900000000 ] - [ -0.0207706800000000, 0.0080747600000000, 0.0301063200000000 ] - [ -0.0000545300000000, -0.0000388400000000, 0.0004705500000000 ] - [ 0.0002164000000000, 0.0005202400000000, 0.0002571600000000 ] - [ -0.0000216000000000, 0.0000980400000000, 0.0004496000000000 ] - [ 0.0000000000000000, 0.0018582900000000, 0.0007327900000000 ] - [ 0.0000000000000000, 0.0004087800000000, -0.0002078200000000 ] - [ -0.0000965500000000, -0.0005202700000000, -0.0000014600000000 ] - [ -0.0000829600000000, -0.0004749200000000, 0.0000536900000000 ] - [ -0.0002164000000000, 0.0005202400000000, 0.0002571600000000 ] - [ 0.0000216000000000, 0.0000980400000000, 0.0004496000000000 ] - [ 0.0000655100000000, 0.0004263600000000, -0.0001962800000000 ] - [ 0.0000853500000000, 0.0004829900000000, -0.0000508900000000 ] - [ 0.0001006300000000, -0.0000182500000000, -0.0001781000000000 ] - [ 0.0000002000000000, 0.0000266400000000, 0.0000005700000000 ] - [ 0.0000000000000000, 0.0004313700000000, 0.0018281000000000 ] - [ 0.0000000000000000, -0.0001275000000000, 0.0005235100000000 ] - [ -0.0001658200000000, 0.0007530800000000, -0.0005981500000000 ] - [ -0.0000997300000000, 0.0000007700000000, -0.0000001300000000 ] - [ 0.0000000000000000, 0.0014431000000000, -0.0001283200000000 ] - [ 0.0000000000000000, 0.0003805400000000, 0.0002207700000000 ] - [ 0.0004404500000000, -0.0028597400000000, 0.0025768700000000 ] - [ 0.0000785400000000, -0.0004692700000000, -0.0000587600000000 ] - [ 0.0002566100000000, 0.0017808900000000, 0.0000974400000000 ] - [ 0.0000148000000000, 0.0001171000000000, -0.0004466400000000 ] - [ 0.0207706800000000, 0.0080747600000000, 0.0301063200000000 ] - [ 0.0000545300000000, -0.0000388400000000, 0.0004705500000000 ] - [ -0.0000162900000000, -0.0000799100000000, -0.0004647200000000 ] - [ -0.0000188200000000, -0.0000052300000000, -0.0005690200000000 ] - [ -0.0002566100000000, 0.0017808900000000, 0.0000974400000000 ] - [ -0.0000148000000000, 0.0001171000000000, -0.0004466400000000 ] - [ -0.0209171200000000, 0.0142889600000000, 0.0282547200000000 ] - [ 0.0000908700000000, 0.0004925600000000, 0.0000459500000000 ] - [ -0.0000655100000000, 0.0004263600000000, -0.0001962800000000 ] - [ -0.0000853500000000, 0.0004829900000000, -0.0000508900000000 ] - [ -0.0001006300000000, -0.0000182500000000, -0.0001781000000000 ] - [ -0.0000002000000000, 0.0000266400000000, 0.0000005700000000 ] - [ 0.0000162900000000, -0.0000799100000000, -0.0004647200000000 ] - [ 0.0000188200000000, -0.0000052300000000, -0.0005690200000000 ] - [ 0.0001658200000000, 0.0007530800000000, -0.0005981500000000 ] - [ 0.0000997300000000, 0.0000007700000000, -0.0000001300000000 ] - [ 0.0000000000000000, -0.0111790600000000, 0.0141386000000000 ] - [ 0.0000000000000000, -0.0002166000000000, -0.0003950800000000 ] - [ 0.0209171200000000, 0.0142889600000000, 0.0282547200000000 ] - [ -0.0000908700000000, 0.0004925600000000, 0.0000459500000000 ] - [ -0.0004404500000000, -0.0028597400000000, 0.0025768700000000 ] - [ -0.0000785400000000, -0.0004692700000000, -0.0000587600000000 ] - [ 0.0003186700000000, -0.0004777600000000, -0.0002168500000000 ] - [ 0.0000689200000000, -0.0004662800000000, 0.0000510600000000 ] - [ -0.0000534600000000, -0.0000684900000000, 0.0004749000000000 ] - [ -0.0000397600000000, -0.0000970100000000, 0.0004547700000000 ] - [ -0.0000483200000000, 0.0000735800000000, 0.0004430600000000 ] - [ -0.0000380700000000, 0.0000792100000000, 0.0004507300000000 ] - [ 0.0000000000000000, 0.0002455000000000, -0.0003526400000000 ] - [ 0.0000000000000000, 0.0002729500000000, -0.0003615600000000 ] - [ -0.0003186700000000, -0.0004777600000000, -0.0002168500000000 ] - [ -0.0000689200000000, -0.0004662800000000, 0.0000510600000000 ] - [ 0.0000483200000000, 0.0000735800000000, 0.0004430600000000 ] - [ 0.0000380700000000, 0.0000792100000000, 0.0004507300000000 ] - [ 0.0000737900000000, 0.0004923000000000, -0.0000400300000000 ] - [ 0.0001599900000000, 0.0004889000000000, -0.0002839100000000 ] - [ 0.0000264200000000, -0.0000101400000000, 0.0000002200000000 ] - [ -0.0002381200000000, 0.0000214600000000, -0.0000504000000000 ] - [ 0.0000000000000000, -0.0002501500000000, 0.0003830300000000 ] - [ 0.0000000000000000, -0.0002813900000000, 0.0003243700000000 ] - [ -0.0001173800000000, 0.0000167500000000, -0.0000037000000000 ] - [ -0.0000320600000000, -0.0002561400000000, 0.0001740600000000 ] - [ 0.0000000000000000, 0.0003314000000000, 0.0001783200000000 ] - [ 0.0000000000000000, 0.0003423800000000, 0.0002763400000000 ] - [ 0.0001176500000000, -0.0005083500000000, 0.0000433500000000 ] - [ 0.0000810500000000, -0.0004765400000000, -0.0000543800000000 ] - [ 0.0000558300000000, 0.0000134700000000, -0.0005089900000000 ] - [ 0.0000405700000000, 0.0000819300000000, -0.0004536400000000 ] - [ 0.0000534600000000, -0.0000684900000000, 0.0004749000000000 ] - [ 0.0000397600000000, -0.0000970100000000, 0.0004547700000000 ] - [ -0.0000774000000000, -0.0000294100000000, -0.0004812800000000 ] - [ -0.0000434200000000, -0.0000638300000000, -0.0004644900000000 ] - [ -0.0000558300000000, 0.0000134700000000, -0.0005089900000000 ] - [ -0.0000405700000000, 0.0000819300000000, -0.0004536400000000 ] - [ 0.0000821300000000, 0.0004823800000000, 0.0000574100000000 ] - [ 0.0000700600000000, 0.0004534200000000, 0.0000875600000000 ] - [ -0.0000737900000000, 0.0004923000000000, -0.0000400300000000 ] - [ -0.0001599900000000, 0.0004889000000000, -0.0002839100000000 ] - [ -0.0000264200000000, -0.0000101400000000, 0.0000002200000000 ] - [ 0.0002381200000000, 0.0000214600000000, -0.0000504000000000 ] - [ 0.0000774000000000, -0.0000294100000000, -0.0004812800000000 ] - [ 0.0000434200000000, -0.0000638300000000, -0.0004644900000000 ] - [ 0.0001173800000000, 0.0000167500000000, -0.0000037000000000 ] - [ 0.0000320600000000, -0.0002561400000000, 0.0001740600000000 ] - [ 0.0000000000000000, -0.0003752800000000, -0.0002054200000000 ] - [ 0.0000000000000000, -0.0003557900000000, -0.0002643500000000 ] - [ -0.0000821300000000, 0.0004823800000000, 0.0000574100000000 ] - [ -0.0000700600000000, 0.0004534200000000, 0.0000875600000000 ] - [ -0.0001176500000000, -0.0005083500000000, 0.0000433500000000 ] - [ -0.0000810500000000, -0.0004765400000000, -0.0000543800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0121640600000000, 0.0166261200000000, -0.0155299300000000 ] - [ 0.0006922000000000, 0.0000653700000000, -0.0000062800000000 ] - [ 0.0000000000000000, -0.0037787100000000, 0.2676431200000000 ] - [ 0.0000000000000000, 0.0002444200000000, 0.0000466000000000 ] - [ 0.0000000000000000, 0.0058180400000000, 0.0011854200000000 ] - [ 0.0000000000000000, -0.0000527800000000, -0.0000645400000000 ] - [ 0.0000000000000000, -0.0002034400000000, -0.0013272300000000 ] - [ 0.0000000000000000, -0.0000250100000000, 0.0001044400000000 ] - [ 0.0000000000000000, 0.0000706100000000, -0.0004562400000000 ] - [ 0.0000000000000000, -0.0004210100000000, 0.0001013700000000 ] - [ -0.0004234300000000, -0.0000224800000000, -0.0001762000000000 ] - [ -0.0005939600000000, 0.0000195500000000, -0.0000082500000000 ] - [ 0.0000000000000000, -0.0342778000000000, -0.0205059800000000 ] - [ 0.0000000000000000, -0.0000040000000000, 0.0000451200000000 ] - [ 0.0000000000000000, 0.0029126800000000, -0.0019045500000000 ] - [ 0.0000000000000000, -0.0000758600000000, 0.0000090300000000 ] - [ 0.0000000000000000, 0.0002360200000000, -0.0001249700000000 ] - [ 0.0000000000000000, 0.0003689600000000, -0.0001282100000000 ] - [ 0.0004234300000000, -0.0000224800000000, -0.0001762000000000 ] - [ 0.0005939600000000, 0.0000195500000000, -0.0000082500000000 ] - [ 0.0000000000000000, 0.0335767500000000, -0.0770517500000000 ] - [ 0.0000000000000000, 0.0001418300000000, 0.0001433500000000 ] - [ 0.0121640600000000, 0.0166261200000000, -0.0155299300000000 ] - [ -0.0006922000000000, 0.0000653700000000, -0.0000062800000000 ] - [ 0.0007042200000000, 0.0000189500000000, 0.0000174000000000 ] - [ 0.0007617900000000, -0.0000954500000000, -0.0000068300000000 ] - [ 0.0000000000000000, 0.0001357800000000, 0.0001089800000000 ] - [ 0.0000000000000000, 0.0001713000000000, 0.0001093400000000 ] - [ 0.0000000000000000, -0.0001984000000000, -0.0000120300000000 ] - [ 0.0000000000000000, -0.0001273100000000, -0.0000683800000000 ] - [ 0.0000000000000000, -0.0001481600000000, 0.0000017600000000 ] - [ 0.0000000000000000, -0.0001695700000000, 0.0000425800000000 ] - [ 0.0000000000000000, 0.0001341000000000, -0.0002218000000000 ] - [ 0.0000000000000000, 0.0001108200000000, -0.0000884900000000 ] - [ -0.0005442800000000, -0.0000131000000000, 0.0000289000000000 ] - [ -0.0009359300000000, 0.0002138200000000, -0.0006777800000000 ] - [ 0.0000000000000000, -0.0002021900000000, 0.0000865600000000 ] - [ 0.0000000000000000, -0.0000800800000000, -0.0000831200000000 ] - [ 0.0000000000000000, -0.0003649100000000, 0.0001451900000000 ] - [ 0.0000000000000000, -0.0000792000000000, 0.0001246300000000 ] - [ 0.0000000000000000, 0.0003551800000000, -0.0003226800000000 ] - [ 0.0000000000000000, 0.0001814100000000, -0.0000724100000000 ] - [ 0.0005442800000000, -0.0000131000000000, 0.0000289000000000 ] - [ 0.0009359300000000, 0.0002138200000000, -0.0006777800000000 ] - [ 0.0000000000000000, 0.0000963300000000, 0.0000361900000000 ] - [ 0.0000000000000000, -0.0000625200000000, 0.0000745800000000 ] - [ -0.0007042200000000, 0.0000189500000000, 0.0000174000000000 ] - [ -0.0007617900000000, -0.0000954500000000, -0.0000068300000000 ] - [ 0.0000746500000000, -0.0004404700000000, 0.0001115900000000 ] - [ 0.0000887300000000, -0.0004831900000000, 0.0000551600000000 ] - [ 0.0193980500000000, -0.0078263000000000, -0.0280149200000000 ] - [ -0.0000319500000000, -0.0001084000000000, 0.0004500600000000 ] - [ -0.0003064900000000, -0.0003777100000000, 0.0006650300000000 ] - [ -0.0000690200000000, 0.0000515400000000, 0.0004691200000000 ] - [ 0.0000000000000000, -0.0012046900000000, -0.0013086500000000 ] - [ 0.0000000000000000, 0.0002166200000000, -0.0003954000000000 ] - [ -0.0000746500000000, -0.0004404700000000, 0.0001115900000000 ] - [ -0.0000887300000000, -0.0004831900000000, 0.0000551600000000 ] - [ 0.0003064900000000, -0.0003777100000000, 0.0006650300000000 ] - [ 0.0000690200000000, 0.0000515400000000, 0.0004691200000000 ] - [ 0.0001068900000000, 0.0005317300000000, 0.0000849700000000 ] - [ 0.0000857400000000, 0.0004771100000000, -0.0000590000000000 ] - [ -0.0001838600000000, 0.0000159600000000, 0.0001720500000000 ] - [ -0.0000916700000000, -0.0000249700000000, -0.0000010300000000 ] - [ 0.0000000000000000, -0.0010565300000000, -0.0012233700000000 ] - [ 0.0000000000000000, -0.0004943000000000, 0.0000776700000000 ] - [ 0.0001254300000000, -0.0007705200000000, 0.0005858300000000 ] - [ 0.0000084800000000, -0.0000003200000000, 0.0000005200000000 ] - [ 0.0000000000000000, -0.0008070700000000, 0.0007244300000000 ] - [ 0.0000000000000000, 0.0002441900000000, 0.0003795500000000 ] - [ -0.0002437000000000, 0.0018642000000000, -0.0026700800000000 ] - [ 0.0000925300000000, -0.0004891400000000, -0.0000505000000000 ] - [ -0.0001787900000000, -0.0016307200000000, -0.0010014200000000 ] - [ 0.0000740500000000, 0.0000294400000000, -0.0004747500000000 ] - [ -0.0193980500000000, -0.0078263000000000, -0.0280149200000000 ] - [ 0.0000319500000000, -0.0001084000000000, 0.0004500600000000 ] - [ -0.0000750800000000, -0.0000675900000000, -0.0004554000000000 ] - [ -0.0000716200000000, -0.0001391400000000, -0.0003519300000000 ] - [ 0.0001787900000000, -0.0016307200000000, -0.0010014200000000 ] - [ -0.0000740500000000, 0.0000294400000000, -0.0004747500000000 ] - [ 0.0220768500000000, -0.0139847100000000, -0.0288867100000000 ] - [ 0.0000801100000000, 0.0004675800000000, 0.0000625500000000 ] - [ -0.0001068900000000, 0.0005317300000000, 0.0000849700000000 ] - [ -0.0000857400000000, 0.0004771100000000, -0.0000590000000000 ] - [ 0.0001838600000000, 0.0000159600000000, 0.0001720500000000 ] - [ 0.0000916700000000, -0.0000249700000000, -0.0000010300000000 ] - [ 0.0000750800000000, -0.0000675900000000, -0.0004554000000000 ] - [ 0.0000716200000000, -0.0001391400000000, -0.0003519300000000 ] - [ -0.0001254300000000, -0.0007705200000000, 0.0005858300000000 ] - [ -0.0000084800000000, -0.0000003200000000, 0.0000005200000000 ] - [ 0.0000000000000000, 0.0108747400000000, -0.0149299400000000 ] - [ 0.0000000000000000, -0.0004086200000000, -0.0002093700000000 ] - [ -0.0220768500000000, -0.0139847100000000, -0.0288867100000000 ] - [ -0.0000801100000000, 0.0004675800000000, 0.0000625500000000 ] - [ 0.0002437000000000, 0.0018642000000000, -0.0026700800000000 ] - [ -0.0000925300000000, -0.0004891400000000, -0.0000505000000000 ] - [ -0.0001471200000000, -0.0004835400000000, 0.0003243200000000 ] - [ 0.0001055100000000, -0.0004931900000000, 0.0000595700000000 ] - [ -0.0000347200000000, -0.0000805700000000, 0.0004457200000000 ] - [ -0.0000520500000000, -0.0000505800000000, 0.0004639200000000 ] - [ -0.0000391900000000, 0.0000738900000000, 0.0004765200000000 ] - [ -0.0000515200000000, 0.0000668300000000, 0.0004707300000000 ] - [ 0.0000000000000000, 0.0003768400000000, -0.0002530800000000 ] - [ 0.0000000000000000, 0.0003502100000000, -0.0002402800000000 ] - [ 0.0001471200000000, -0.0004835400000000, 0.0003243200000000 ] - [ -0.0001055100000000, -0.0004931900000000, 0.0000595700000000 ] - [ 0.0000391900000000, 0.0000738900000000, 0.0004765200000000 ] - [ 0.0000515200000000, 0.0000668300000000, 0.0004707300000000 ] - [ 0.0000994600000000, 0.0004665800000000, -0.0000726100000000 ] - [ 0.0000138900000000, 0.0004697500000000, 0.0001702400000000 ] - [ -0.0001146600000000, 0.0000098700000000, -0.0000000700000000 ] - [ 0.0001436900000000, -0.0000228700000000, 0.0000496900000000 ] - [ 0.0000000000000000, -0.0003733400000000, 0.0002234800000000 ] - [ 0.0000000000000000, -0.0003435400000000, 0.0002787700000000 ] - [ 0.0000248400000000, -0.0000161500000000, 0.0000033100000000 ] - [ -0.0000623600000000, 0.0002511400000000, -0.0001742400000000 ] - [ 0.0000000000000000, 0.0002916600000000, 0.0004249700000000 ] - [ 0.0000000000000000, 0.0002808000000000, 0.0003310600000000 ] - [ 0.0000569900000000, -0.0004528100000000, -0.0001552500000000 ] - [ 0.0000904500000000, -0.0004815000000000, -0.0000560900000000 ] - [ 0.0000344900000000, 0.0001347800000000, -0.0004103400000000 ] - [ 0.0000473600000000, 0.0000669800000000, -0.0004669100000000 ] - [ 0.0000347200000000, -0.0000805700000000, 0.0004457200000000 ] - [ 0.0000520500000000, -0.0000505800000000, 0.0004639200000000 ] - [ -0.0000110300000000, -0.0001194100000000, -0.0004403200000000 ] - [ -0.0000432500000000, -0.0000845300000000, -0.0004559900000000 ] - [ -0.0000344900000000, 0.0001347800000000, -0.0004103400000000 ] - [ -0.0000473600000000, 0.0000669800000000, -0.0004669100000000 ] - [ 0.0000894000000000, 0.0004763500000000, 0.0000534200000000 ] - [ 0.0001042800000000, 0.0005056500000000, 0.0000242500000000 ] - [ -0.0000994600000000, 0.0004665800000000, -0.0000726100000000 ] - [ -0.0000138900000000, 0.0004697500000000, 0.0001702400000000 ] - [ 0.0001146600000000, 0.0000098700000000, -0.0000000700000000 ] - [ -0.0001436900000000, -0.0000228700000000, 0.0000496900000000 ] - [ 0.0000110300000000, -0.0001194100000000, -0.0004403200000000 ] - [ 0.0000432500000000, -0.0000845300000000, -0.0004559900000000 ] - [ -0.0000248400000000, -0.0000161500000000, 0.0000033100000000 ] - [ 0.0000623600000000, 0.0002511400000000, -0.0001742400000000 ] - [ 0.0000000000000000, -0.0002499000000000, -0.0004000000000000 ] - [ 0.0000000000000000, -0.0002680200000000, -0.0003398500000000 ] - [ -0.0000894000000000, 0.0004763500000000, 0.0000534200000000 ] - [ -0.0001042800000000, 0.0005056500000000, 0.0000242500000000 ] - [ -0.0000569900000000, -0.0004528100000000, -0.0001552500000000 ] - [ -0.0000904500000000, -0.0004815000000000, -0.0000560900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005188800000000, -0.0001111200000000, -0.0005976300000000 ] - [ 0.0007450200000000, -0.0003435800000000, -0.0000816600000000 ] - [ 0.0000338800000000, 0.0001496900000000, 0.0000716200000000 ] - [ -0.0003939500000000, 0.0001555200000000, 0.0000724100000000 ] - [ 0.0025345200000000, -0.0001750700000000, -0.0001085000000000 ] - [ -0.0000087100000000, -0.0001526500000000, -0.0000706300000000 ] - [ -0.0000251000000000, -0.0001528900000000, 0.0000715400000000 ] - [ 0.0088740200000000, -0.0000837000000000, -0.0000254400000000 ] - [ -0.2648052400000000, 0.0006460900000000, -0.0013968000000000 ] - [ -0.0000088500000000, 0.0000911600000000, -0.0000849500000000 ] - [ 0.0001111800000000, 0.0000255100000000, 0.0000144600000000 ] - [ -0.0005923900000000, -0.0000611400000000, 0.0000339500000000 ] - [ 0.0004267000000000, -0.0000907400000000, -0.0000842100000000 ] - [ -0.0000125500000000, -0.0000916500000000, -0.0000858200000000 ] - [ -0.0000424100000000, -0.0000922000000000, 0.0000856900000000 ] - [ -0.0041875600000000, -0.0001096600000000, 0.0001250800000000 ] - [ 0.0088785200000000, 0.0001696300000000, -0.0001889600000000 ] - [ -0.0000037200000000, 0.0001516100000000, -0.0000714000000000 ] - [ 0.0014016100000000, -0.0000273100000000, -0.0000138500000000 ] - [ 0.0006930500000000, 0.0000629000000000, -0.0000343400000000 ] - [ -0.0009566800000000, 0.0000979700000000, 0.0000900400000000 ] - [ -0.0009575400000000, 0.0000965700000000, 0.0000850300000000 ] - [ -0.0007621800000000, 0.0001078000000000, 0.0005997600000000 ] - [ -0.0005433800000000, 0.0003445500000000, 0.0000839100000000 ] - [ 0.0012329200000000, 0.0000511400000000, 0.0000951300000000 ] - [ 0.0006451500000000, -0.0000048900000000, -0.0000002000000000 ] - [ 0.0000943500000000, 0.0001528600000000, 0.0000712500000000 ] - [ 0.0000053900000000, 0.0001527400000000, 0.0000712700000000 ] - [ 0.0000141400000000, -0.0001516100000000, -0.0000716800000000 ] - [ 0.0001582700000000, -0.0001521400000000, -0.0000701000000000 ] - [ 0.0001857400000000, -0.0001517600000000, 0.0000731400000000 ] - [ 0.0000116300000000, -0.0001534600000000, 0.0000709800000000 ] - [ 0.0000956200000000, 0.0000919000000000, -0.0000852400000000 ] - [ 0.0000957000000000, 0.0000929900000000, -0.0000857200000000 ] - [ 0.0466237000000000, 0.0207554700000000, -0.0448578100000000 ] - [ -0.0006430900000000, -0.0000213100000000, 0.0000101300000000 ] - [ 0.0000158500000000, -0.0000908900000000, -0.0000832400000000 ] - [ -0.0000018100000000, -0.0000930100000000, -0.0000873600000000 ] - [ 0.0001117200000000, -0.0000931300000000, 0.0000851700000000 ] - [ -0.0000015500000000, -0.0000916600000000, 0.0000852500000000 ] - [ -0.0000069100000000, 0.0001527300000000, -0.0000714500000000 ] - [ 0.0000938600000000, 0.0001547800000000, -0.0000714000000000 ] - [ 0.0490111900000000, -0.0212018600000000, 0.0458287200000000 ] - [ 0.0006422500000000, 0.0000206500000000, -0.0000096700000000 ] - [ 0.0002524400000000, 0.0000902900000000, 0.0000875400000000 ] - [ 0.0000088100000000, 0.0000909500000000, 0.0000831000000000 ] - [ -0.0000484200000000, -0.0000521300000000, -0.0000929300000000 ] - [ -0.0006396100000000, 0.0000051100000000, 0.0000002000000000 ] - [ 0.0000176900000000, -0.0004619100000000, 0.0001339500000000 ] - [ 0.0000765600000000, -0.0004661700000000, 0.0000651200000000 ] - [ 0.0000184400000000, -0.0001176600000000, 0.0004480800000000 ] - [ 0.0001958600000000, -0.0003517200000000, 0.0004198900000000 ] - [ -0.0000363100000000, 0.0000769900000000, 0.0004507500000000 ] - [ 0.0014085900000000, 0.0005925200000000, -0.0016347700000000 ] - [ 0.0000034200000000, 0.0003128900000000, -0.0002994400000000 ] - [ 0.0002079300000000, 0.0003273000000000, -0.0002791200000000 ] - [ -0.0001580000000000, -0.0004980000000000, -0.0000210300000000 ] - [ -0.0000996300000000, -0.0004940700000000, 0.0000465500000000 ] - [ 0.0000558000000000, 0.0000702800000000, 0.0004708800000000 ] - [ 0.0014908400000000, -0.0004484500000000, 0.0025679800000000 ] - [ 0.0000334200000000, 0.0004588900000000, -0.0000602200000000 ] - [ 0.0000769900000000, 0.0004854200000000, -0.0000620900000000 ] - [ -0.0008373300000000, -0.0004495600000000, -0.0000936800000000 ] - [ -0.0000955500000000, 0.0000364700000000, -0.0000314200000000 ] - [ -0.0006830900000000, -0.0003367500000000, 0.0003021400000000 ] - [ 0.0000008200000000, -0.0003122100000000, 0.0003029400000000 ] - [ -0.0001018700000000, -0.0000220000000000, -0.0000106600000000 ] - [ -0.0000136600000000, -0.0000338200000000, -0.0000326400000000 ] - [ 0.0075738200000000, 0.0003482200000000, 0.0003139000000000 ] - [ 0.0000009900000000, 0.0003131600000000, 0.0003031700000000 ] - [ 0.0001795000000000, -0.0004485600000000, 0.0000241900000000 ] - [ 0.0001350700000000, -0.0005310600000000, -0.0000301200000000 ] - [ 0.0001435900000000, 0.0002496700000000, -0.0006657900000000 ] - [ 0.0000834500000000, 0.0001164500000000, -0.0004567200000000 ] - [ 0.0001142500000000, -0.0000309700000000, 0.0004725500000000 ] - [ 0.0002875100000000, 0.0002065400000000, 0.0005046800000000 ] - [ 0.0335150500000000, -0.0199689700000000, -0.0131581100000000 ] - [ -0.0000413400000000, -0.0000716900000000, -0.0004603600000000 ] - [ 0.0000461300000000, -0.0000951000000000, -0.0002522800000000 ] - [ -0.0000071700000000, 0.0000329100000000, -0.0004639300000000 ] - [ 0.0000841200000000, 0.0004471900000000, 0.0001080500000000 ] - [ 0.0001242100000000, 0.0004662200000000, 0.0000245900000000 ] - [ -0.0001432100000000, 0.0005005300000000, -0.0000503800000000 ] - [ -0.0000987600000000, 0.0004744600000000, -0.0000491600000000 ] - [ -0.0007489200000000, 0.0004508900000000, 0.0000938800000000 ] - [ -0.0000054600000000, -0.0000362600000000, 0.0000323000000000 ] - [ 0.0348844400000000, 0.0209486300000000, 0.0130285700000000 ] - [ 0.0000501300000000, -0.0000763600000000, -0.0004598000000000 ] - [ -0.0000149000000000, 0.0000237700000000, 0.0000110700000000 ] - [ 0.0000751100000000, 0.0000327700000000, 0.0000326700000000 ] - [ -0.0000145300000000, -0.0003124000000000, -0.0003033400000000 ] - [ 0.0001860300000000, -0.0003144700000000, -0.0003004100000000 ] - [ -0.0000940200000000, 0.0005116500000000, 0.0000045300000000 ] - [ -0.0000499600000000, 0.0004931700000000, 0.0000860900000000 ] - [ -0.0000034500000000, -0.0005135000000000, -0.0001337800000000 ] - [ -0.0000394900000000, -0.0004292900000000, -0.0000799200000000 ] - [ 0.0000929000000000, -0.0004785100000000, 0.0000508600000000 ] - [ 0.0339873400000000, -0.0233967700000000, -0.0070667600000000 ] - [ -0.0001137600000000, 0.0000128900000000, 0.0004735800000000 ] - [ -0.0000493000000000, -0.0000745200000000, 0.0004612500000000 ] - [ -0.0000939200000000, -0.0000109100000000, 0.0005140800000000 ] - [ -0.0000566400000000, 0.0000800700000000, 0.0004608400000000 ] - [ -0.0000105100000000, 0.0003115600000000, -0.0003031700000000 ] - [ 0.0000007500000000, 0.0003133000000000, -0.0003008900000000 ] - [ -0.0000817900000000, -0.0004820700000000, 0.0000598900000000 ] - [ 0.0325577100000000, 0.0211227700000000, 0.0068396900000000 ] - [ -0.0000009200000000, 0.0001618200000000, 0.0004061800000000 ] - [ 0.0000366300000000, 0.0000685800000000, 0.0004610700000000 ] - [ 0.0015530000000000, -0.0008072300000000, 0.0017339000000000 ] - [ 0.0000929900000000, 0.0004842200000000, -0.0000539600000000 ] - [ 0.0027617800000000, -0.0005139400000000, 0.0011646500000000 ] - [ -0.0000391100000000, 0.0000042100000000, -0.0000002300000000 ] - [ 0.0000095100000000, -0.0003123100000000, 0.0003019600000000 ] - [ 0.0000168100000000, -0.0003128600000000, 0.0003028100000000 ] - [ -0.0005912200000000, -0.0000273000000000, 0.0003461500000000 ] - [ -0.0000481800000000, -0.0000005500000000, -0.0000002800000000 ] - [ 0.0000051400000000, 0.0003136100000000, 0.0003039000000000 ] - [ -0.0000153600000000, 0.0003129000000000, 0.0003042400000000 ] - [ 0.0000861300000000, -0.0004801900000000, -0.0000600700000000 ] - [ 0.0000478200000000, -0.0004178000000000, -0.0001736100000000 ] - [ 0.0000441300000000, 0.0000776000000000, -0.0004578000000000 ] - [ -0.0000023500000000, 0.0000883200000000, -0.0004329700000000 ] - [ -0.0000205700000000, -0.0001619900000000, 0.0004479800000000 ] - [ 0.0000459900000000, -0.0000747600000000, 0.0004590100000000 ] - [ -0.0001094100000000, -0.0000664200000000, -0.0004525800000000 ] - [ -0.0000611800000000, -0.0000318900000000, -0.0004714200000000 ] - [ -0.0000506500000000, 0.0000722800000000, -0.0004607000000000 ] - [ -0.0000950700000000, 0.0000612000000000, -0.0004879900000000 ] - [ 0.0000368100000000, 0.0004887400000000, 0.0000500700000000 ] - [ 0.0000875800000000, 0.0004792800000000, 0.0000566700000000 ] - [ 0.0013884700000000, 0.0017599900000000, -0.0018344500000000 ] - [ -0.0000817800000000, 0.0004769400000000, -0.0000566300000000 ] - [ 0.0028450300000000, 0.0005142000000000, -0.0011642700000000 ] - [ 0.0000521400000000, -0.0000042100000000, 0.0000004600000000 ] - [ -0.0000156300000000, -0.0000821400000000, -0.0004697400000000 ] - [ 0.0000320800000000, -0.0001179100000000, -0.0004492800000000 ] - [ -0.0004962200000000, 0.0000285500000000, -0.0003450000000000 ] - [ 0.0000393300000000, 0.0000003000000000, 0.0000006600000000 ] - [ 0.0000058500000000, -0.0003133000000000, -0.0003036700000000 ] - [ 0.0000005600000000, -0.0003130800000000, -0.0003037100000000 ] - [ -0.0001395800000000, 0.0004706500000000, 0.0000613600000000 ] - [ -0.0000908800000000, 0.0004809700000000, 0.0000559400000000 ] - [ -0.0000915100000000, -0.0004804700000000, -0.0000525500000000 ] - [ -0.0001284800000000, -0.0005409300000000, 0.0000607700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009850900000000, 0.0002922700000000, -0.0003171600000000 ] - [ 0.0005196700000000, 0.0003589300000000, 0.0001207800000000 ] - [ 0.0000000000000000, 0.0001665900000000, 0.0000899100000000 ] - [ 0.0000000000000000, 0.0003198700000000, 0.0005858700000000 ] - [ 0.0000000000000000, 0.0017105500000000, -0.0030763200000000 ] - [ 0.0000000000000000, 0.0000693500000000, -0.0000870300000000 ] - [ 0.0000000000000000, 0.0001377300000000, 0.0001600000000000 ] - [ 0.0000000000000000, 0.0765096400000000, -0.0335305700000000 ] - [ 0.0000000000000000, -0.2673684000000000, 0.0038787200000000 ] - [ 0.0000000000000000, 0.0002367000000000, -0.0002324300000000 ] - [ -0.0002416400000000, 0.0000923400000000, 0.0000063000000000 ] - [ -0.0007215000000000, 0.0001219800000000, -0.0000247400000000 ] - [ 0.0000000000000000, -0.0000336800000000, -0.0004572600000000 ] - [ 0.0000000000000000, -0.0000355800000000, -0.0000076300000000 ] - [ 0.0000000000000000, 0.0000693800000000, -0.0000704100000000 ] - [ 0.0000000000000000, -0.0014862100000000, -0.0058038400000000 ] - [ 0.0000000000000000, 0.0202183500000000, 0.0339954100000000 ] - [ 0.0000000000000000, 0.0003876200000000, -0.0000209800000000 ] - [ 0.0002416400000000, 0.0000923400000000, 0.0000063000000000 ] - [ 0.0007215000000000, 0.0001219800000000, -0.0000247400000000 ] - [ 0.0000000000000000, 0.0007730000000000, 0.0001618300000000 ] - [ 0.0000000000000000, 0.0007665900000000, -0.0000795600000000 ] - [ -0.0009850900000000, 0.0002922700000000, -0.0003171600000000 ] - [ -0.0005196700000000, 0.0003589300000000, 0.0001207800000000 ] - [ 0.0007873100000000, -0.0001040400000000, 0.0001608800000000 ] - [ 0.0006182200000000, 0.0000896600000000, -0.0000071700000000 ] - [ 0.0000000000000000, -0.0001407200000000, 0.0000295600000000 ] - [ 0.0000000000000000, 0.0003176000000000, 0.0000522100000000 ] - [ 0.0000000000000000, -0.0000093200000000, -0.0000850900000000 ] - [ 0.0000000000000000, 0.0000462200000000, 0.0002021600000000 ] - [ 0.0000000000000000, -0.0004168900000000, -0.0000371900000000 ] - [ 0.0000000000000000, 0.0000037700000000, 0.0000826200000000 ] - [ 0.0000000000000000, 0.0002060300000000, -0.0000936500000000 ] - [ 0.0000000000000000, 0.0002066300000000, -0.0000212300000000 ] - [ 0.0120779200000000, 0.0154217900000000, -0.0166852300000000 ] - [ -0.0006684200000000, 0.0001123100000000, 0.0000262500000000 ] - [ 0.0000000000000000, 0.0000152900000000, -0.0000309700000000 ] - [ 0.0000000000000000, -0.0001781400000000, -0.0001344200000000 ] - [ 0.0000000000000000, -0.0000497500000000, 0.0002881100000000 ] - [ 0.0000000000000000, -0.0000179700000000, 0.0000300000000000 ] - [ 0.0000000000000000, 0.0002526500000000, -0.0000677800000000 ] - [ 0.0000000000000000, 0.0001382300000000, -0.0002243100000000 ] - [ -0.0120779200000000, 0.0154217900000000, -0.0166852300000000 ] - [ 0.0006684200000000, 0.0001123100000000, 0.0000262500000000 ] - [ 0.0000000000000000, -0.0005515200000000, -0.0000139800000000 ] - [ 0.0000000000000000, 0.0002059900000000, 0.0001536400000000 ] - [ -0.0007873100000000, -0.0001040400000000, 0.0001608800000000 ] - [ -0.0006182200000000, 0.0000896600000000, -0.0000071700000000 ] - [ 0.0001033100000000, -0.0005023900000000, 0.0000212000000000 ] - [ 0.0000959700000000, -0.0004909300000000, 0.0000492000000000 ] - [ -0.0000148500000000, -0.0001282200000000, 0.0004803600000000 ] - [ 0.0001362000000000, -0.0002889400000000, 0.0004581900000000 ] - [ -0.0000794300000000, 0.0000009900000000, 0.0004817200000000 ] - [ 0.0003205600000000, 0.0027602200000000, -0.0019048500000000 ] - [ 0.0000000000000000, 0.0000012200000000, -0.0005176300000000 ] - [ 0.0000000000000000, 0.0017341500000000, 0.0015374300000000 ] - [ -0.0001033100000000, -0.0005023900000000, 0.0000212000000000 ] - [ -0.0000959700000000, -0.0004909300000000, 0.0000492000000000 ] - [ 0.0000794300000000, 0.0000009900000000, 0.0004817200000000 ] - [ -0.0003205600000000, 0.0027602200000000, -0.0019048500000000 ] - [ 0.0000930600000000, 0.0004800400000000, -0.0000663500000000 ] - [ 0.0000896900000000, 0.0004598500000000, -0.0000488100000000 ] - [ -0.0003220000000000, -0.0001297000000000, -0.0000265800000000 ] - [ 0.0000140700000000, -0.0000476200000000, 0.0000294600000000 ] - [ 0.0000000000000000, 0.0016790400000000, 0.0014773500000000 ] - [ 0.0000000000000000, -0.0005645800000000, 0.0000424100000000 ] - [ 0.0002059900000000, -0.0000045800000000, 0.0000271000000000 ] - [ -0.0001565800000000, -0.0000450500000000, -0.0000182400000000 ] - [ 0.0000000000000000, 0.0150895100000000, -0.0110296600000000 ] - [ 0.0000000000000000, 0.0000488400000000, 0.0005523400000000 ] - [ 0.0003481700000000, -0.0006516800000000, 0.0004104300000000 ] - [ 0.0001121100000000, -0.0005197200000000, -0.0000447800000000 ] - [ -0.0000370600000000, -0.0000242000000000, -0.0003888700000000 ] - [ 0.0000700600000000, -0.0000422000000000, -0.0005100100000000 ] - [ 0.0000148500000000, -0.0001282200000000, 0.0004803600000000 ] - [ -0.0001362000000000, -0.0002889400000000, 0.0004581900000000 ] - [ -0.0220699300000000, 0.0289184100000000, 0.0139644400000000 ] - [ -0.0000117100000000, -0.0001473300000000, -0.0004366400000000 ] - [ 0.0000370600000000, -0.0000242000000000, -0.0003888700000000 ] - [ -0.0000700600000000, -0.0000422000000000, -0.0005100100000000 ] - [ 0.0000975600000000, 0.0004063600000000, 0.0001661100000000 ] - [ 0.0001322600000000, 0.0004395800000000, -0.0000014000000000 ] - [ -0.0000930600000000, 0.0004800400000000, -0.0000663500000000 ] - [ -0.0000896900000000, 0.0004598500000000, -0.0000488100000000 ] - [ 0.0003220000000000, -0.0001297000000000, -0.0000265800000000 ] - [ -0.0000140700000000, -0.0000476200000000, 0.0000294600000000 ] - [ 0.0220699300000000, 0.0289184100000000, 0.0139644400000000 ] - [ 0.0000117100000000, -0.0001473300000000, -0.0004366400000000 ] - [ -0.0002059900000000, -0.0000045800000000, 0.0000271000000000 ] - [ 0.0001565800000000, -0.0000450500000000, -0.0000182400000000 ] - [ 0.0000000000000000, -0.0006004900000000, -0.0000438200000000 ] - [ 0.0000000000000000, -0.0005099600000000, 0.0006146200000000 ] - [ -0.0000975600000000, 0.0004063600000000, 0.0001661100000000 ] - [ -0.0001322600000000, 0.0004395800000000, -0.0000014000000000 ] - [ -0.0003481700000000, -0.0006516800000000, 0.0004104300000000 ] - [ -0.0001121100000000, -0.0005197200000000, -0.0000447800000000 ] - [ 0.0001091700000000, -0.0005104800000000, 0.0000297300000000 ] - [ -0.0193195300000000, 0.0279637000000000, 0.0078671500000000 ] - [ -0.0001201500000000, 0.0000338200000000, 0.0004824500000000 ] - [ -0.0000235000000000, -0.0001272700000000, 0.0004381200000000 ] - [ -0.0000412000000000, 0.0000004100000000, 0.0004898700000000 ] - [ -0.0000632200000000, 0.0000261700000000, 0.0004819700000000 ] - [ 0.0000000000000000, 0.0006116900000000, -0.0000226000000000 ] - [ 0.0000000000000000, 0.0001426200000000, -0.0004538100000000 ] - [ -0.0001091700000000, -0.0005104800000000, 0.0000297300000000 ] - [ 0.0193195300000000, 0.0279637000000000, 0.0078671500000000 ] - [ 0.0000412000000000, 0.0000004100000000, 0.0004898700000000 ] - [ 0.0000632200000000, 0.0000261700000000, 0.0004819700000000 ] - [ -0.0000884000000000, 0.0010608400000000, 0.0017185800000000 ] - [ 0.0000658500000000, 0.0004495100000000, -0.0000807500000000 ] - [ 0.0001585500000000, -0.0005400000000000, 0.0007401200000000 ] - [ -0.0000183100000000, -0.0000337900000000, -0.0000056500000000 ] - [ 0.0000000000000000, -0.0004511600000000, 0.0001769300000000 ] - [ 0.0000000000000000, -0.0002915700000000, 0.0003501600000000 ] - [ -0.0000073900000000, 0.0002168500000000, -0.0002305700000000 ] - [ -0.0000665800000000, -0.0000602500000000, 0.0000080500000000 ] - [ 0.0000000000000000, 0.0001654200000000, 0.0004147100000000 ] - [ 0.0000000000000000, 0.0003341200000000, 0.0002976400000000 ] - [ 0.0001046000000000, -0.0005027700000000, -0.0000382000000000 ] - [ 0.0000476400000000, -0.0003816100000000, -0.0002145900000000 ] - [ 0.0000711400000000, 0.0000221000000000, -0.0004820800000000 ] - [ 0.0000558000000000, 0.0001356100000000, -0.0004633500000000 ] - [ 0.0001201500000000, 0.0000338200000000, 0.0004824500000000 ] - [ 0.0000235000000000, -0.0001272700000000, 0.0004381200000000 ] - [ -0.0000417600000000, -0.0000894200000000, -0.0004547000000000 ] - [ -0.0000290800000000, -0.0001398100000000, -0.0004384500000000 ] - [ -0.0000711400000000, 0.0000221000000000, -0.0004820800000000 ] - [ -0.0000558000000000, 0.0001356100000000, -0.0004633500000000 ] - [ 0.0000838800000000, 0.0005160500000000, -0.0000118500000000 ] - [ 0.0000756500000000, 0.0004595800000000, 0.0000739600000000 ] - [ 0.0000884000000000, 0.0010608400000000, 0.0017185800000000 ] - [ -0.0000658500000000, 0.0004495100000000, -0.0000807500000000 ] - [ -0.0001585500000000, -0.0005400000000000, 0.0007401200000000 ] - [ 0.0000183100000000, -0.0000337900000000, -0.0000056500000000 ] - [ 0.0000417600000000, -0.0000894200000000, -0.0004547000000000 ] - [ 0.0000290800000000, -0.0001398100000000, -0.0004384500000000 ] - [ 0.0000073900000000, 0.0002168500000000, -0.0002305700000000 ] - [ 0.0000665800000000, -0.0000602500000000, 0.0000080500000000 ] - [ 0.0000000000000000, -0.0000299700000000, -0.0005364600000000 ] - [ 0.0000000000000000, -0.0004832900000000, -0.0001578100000000 ] - [ -0.0000838800000000, 0.0005160500000000, -0.0000118500000000 ] - [ -0.0000756500000000, 0.0004595800000000, 0.0000739600000000 ] - [ -0.0001046000000000, -0.0005027700000000, -0.0000382000000000 ] - [ -0.0000476400000000, -0.0003816100000000, -0.0002145900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002960400000000, -0.0002950500000000, 0.0003185000000000 ] - [ 0.0007682900000000, -0.0003551100000000, -0.0001188400000000 ] - [ 0.0000000000000000, 0.0001291100000000, 0.0000525000000000 ] - [ 0.0000000000000000, -0.0000129300000000, -0.0004400500000000 ] - [ 0.0000000000000000, -0.0020541800000000, 0.0028465100000000 ] - [ 0.0000000000000000, -0.0003740800000000, -0.0000531500000000 ] - [ 0.0000000000000000, -0.0004493900000000, -0.0000177600000000 ] - [ 0.0000000000000000, -0.0794007600000000, 0.0345781200000000 ] - [ 0.0000000000000000, 0.2705173800000000, -0.0056267900000000 ] - [ 0.0000000000000000, -0.0000567600000000, 0.0000621800000000 ] - [ -0.0010556200000000, -0.0000911600000000, -0.0000059200000000 ] - [ -0.0005647800000000, -0.0001205500000000, 0.0000243700000000 ] - [ 0.0000000000000000, -0.0001541100000000, 0.0002819900000000 ] - [ 0.0000000000000000, -0.0001475300000000, -0.0001663600000000 ] - [ 0.0000000000000000, -0.0002553300000000, 0.0002426900000000 ] - [ 0.0000000000000000, 0.0013532900000000, 0.0061023400000000 ] - [ 0.0000000000000000, -0.0197639600000000, -0.0338663000000000 ] - [ 0.0000000000000000, -0.0000836600000000, -0.0001223500000000 ] - [ 0.0010556200000000, -0.0000911600000000, -0.0000059200000000 ] - [ 0.0005647800000000, -0.0001205500000000, 0.0000243700000000 ] - [ 0.0000000000000000, -0.0005806800000000, 0.0000150500000000 ] - [ 0.0000000000000000, -0.0005822700000000, 0.0002591400000000 ] - [ -0.0002960400000000, -0.0002950500000000, 0.0003185000000000 ] - [ -0.0007682900000000, -0.0003551100000000, -0.0001188400000000 ] - [ 0.0004930600000000, 0.0001049800000000, -0.0001606700000000 ] - [ 0.0006677000000000, -0.0000896100000000, 0.0000065400000000 ] - [ 0.0000000000000000, 0.0004465100000000, 0.0001156300000000 ] - [ 0.0000000000000000, -0.0000136600000000, 0.0000915600000000 ] - [ 0.0000000000000000, -0.0002933300000000, -0.0000605600000000 ] - [ 0.0000000000000000, -0.0003505500000000, -0.0003475200000000 ] - [ 0.0000000000000000, 0.0001157500000000, 0.0001828500000000 ] - [ 0.0000000000000000, -0.0003117500000000, 0.0000582900000000 ] - [ 0.0000000000000000, -0.0000230700000000, -0.0000775800000000 ] - [ 0.0000000000000000, -0.0000212600000000, -0.0001510100000000 ] - [ -0.0135315100000000, -0.0153380800000000, 0.0167050500000000 ] - [ -0.0006177200000000, -0.0001140100000000, -0.0000260700000000 ] - [ 0.0000000000000000, -0.0001978800000000, -0.0001387100000000 ] - [ 0.0000000000000000, -0.0000065600000000, -0.0000382700000000 ] - [ 0.0000000000000000, -0.0001346900000000, -0.0001165100000000 ] - [ 0.0000000000000000, -0.0001644300000000, 0.0001415700000000 ] - [ 0.0000000000000000, 0.0000508700000000, -0.0000771600000000 ] - [ 0.0000000000000000, 0.0001715900000000, 0.0000817500000000 ] - [ 0.0135315100000000, -0.0153380800000000, 0.0167050500000000 ] - [ 0.0006177200000000, -0.0001140100000000, -0.0000260700000000 ] - [ 0.0000000000000000, 0.0007384800000000, 0.0001875600000000 ] - [ 0.0000000000000000, -0.0000245500000000, 0.0000112000000000 ] - [ -0.0004930600000000, 0.0001049800000000, -0.0001606700000000 ] - [ -0.0006677000000000, -0.0000896100000000, 0.0000065400000000 ] - [ 0.0000681500000000, -0.0004585100000000, 0.0000874200000000 ] - [ 0.0000763500000000, -0.0004685300000000, 0.0000587400000000 ] - [ -0.0000801900000000, -0.0000148200000000, 0.0004406500000000 ] - [ -0.0002210900000000, 0.0001444800000000, 0.0004628000000000 ] - [ -0.0000085500000000, 0.0001433500000000, 0.0004393900000000 ] - [ -0.0004356000000000, -0.0026338300000000, 0.0028613700000000 ] - [ 0.0000000000000000, 0.0006232400000000, -0.0000738500000000 ] - [ 0.0000000000000000, -0.0011374500000000, -0.0021737000000000 ] - [ -0.0000681500000000, -0.0004585100000000, 0.0000874200000000 ] - [ -0.0000763500000000, -0.0004685300000000, 0.0000587400000000 ] - [ 0.0000085500000000, 0.0001433500000000, 0.0004393900000000 ] - [ 0.0004356000000000, -0.0026338300000000, 0.0028613700000000 ] - [ 0.0000794700000000, 0.0004792300000000, -0.0000398100000000 ] - [ 0.0000823000000000, 0.0005027800000000, -0.0000588200000000 ] - [ 0.0002397100000000, 0.0001349000000000, 0.0000277900000000 ] - [ -0.0001089100000000, 0.0000499500000000, -0.0000291400000000 ] - [ 0.0000000000000000, -0.0023084500000000, -0.0008801100000000 ] - [ 0.0000000000000000, -0.0000541900000000, 0.0005590000000000 ] - [ -0.0002961200000000, 0.0000040900000000, -0.0000266200000000 ] - [ 0.0000626900000000, 0.0000466500000000, 0.0000190500000000 ] - [ 0.0000000000000000, -0.0142882000000000, 0.0113178900000000 ] - [ 0.0000000000000000, 0.0005755700000000, 0.0000516000000000 ] - [ -0.0001695500000000, -0.0003119900000000, -0.0005150400000000 ] - [ 0.0000590500000000, -0.0004379500000000, -0.0000612300000000 ] - [ 0.0001284300000000, 0.0001762100000000, -0.0005291900000000 ] - [ 0.0000196700000000, 0.0001855200000000, -0.0004118500000000 ] - [ 0.0000801900000000, -0.0000148200000000, 0.0004406500000000 ] - [ 0.0002210900000000, 0.0001444800000000, 0.0004628000000000 ] - [ 0.0209958500000000, -0.0283263200000000, -0.0142289500000000 ] - [ -0.0000771500000000, 0.0000045200000000, -0.0004845100000000 ] - [ -0.0001284300000000, 0.0001762100000000, -0.0005291900000000 ] - [ -0.0000196700000000, 0.0001855200000000, -0.0004118500000000 ] - [ 0.0000789600000000, 0.0005524400000000, -0.0000583300000000 ] - [ 0.0000395400000000, 0.0005223400000000, 0.0001060700000000 ] - [ -0.0000794700000000, 0.0004792300000000, -0.0000398100000000 ] - [ -0.0000823000000000, 0.0005027800000000, -0.0000588200000000 ] - [ -0.0002397100000000, 0.0001349000000000, 0.0000277900000000 ] - [ 0.0001089100000000, 0.0000499500000000, -0.0000291400000000 ] - [ -0.0209958500000000, -0.0283263200000000, -0.0142289500000000 ] - [ 0.0000771500000000, 0.0000045200000000, -0.0004845100000000 ] - [ 0.0002961200000000, 0.0000040900000000, -0.0000266200000000 ] - [ -0.0000626900000000, 0.0000466500000000, 0.0000190500000000 ] - [ 0.0000000000000000, -0.0000167000000000, -0.0005642100000000 ] - [ 0.0000000000000000, -0.0001065600000000, -0.0012270500000000 ] - [ -0.0000789600000000, 0.0005524400000000, -0.0000583300000000 ] - [ -0.0000395400000000, 0.0005223400000000, 0.0001060700000000 ] - [ 0.0001695500000000, -0.0003119900000000, -0.0005150400000000 ] - [ -0.0000590500000000, -0.0004379500000000, -0.0000612300000000 ] - [ 0.0000627100000000, -0.0004497200000000, 0.0000776400000000 ] - [ 0.0207744200000000, -0.0300940300000000, -0.0081546700000000 ] - [ 0.0000321300000000, -0.0001811800000000, 0.0004390000000000 ] - [ -0.0000682500000000, -0.0000175200000000, 0.0004820200000000 ] - [ -0.0000477200000000, 0.0001444400000000, 0.0004310700000000 ] - [ -0.0000274500000000, 0.0001182100000000, 0.0004391100000000 ] - [ 0.0000000000000000, 0.0000055300000000, -0.0005828900000000 ] - [ 0.0000000000000000, 0.0004834000000000, -0.0001448400000000 ] - [ -0.0000627100000000, -0.0004497200000000, 0.0000776400000000 ] - [ -0.0207744200000000, -0.0300940300000000, -0.0081546700000000 ] - [ 0.0000477200000000, 0.0001444400000000, 0.0004310700000000 ] - [ 0.0000274500000000, 0.0001182100000000, 0.0004391100000000 ] - [ 0.0002507000000000, -0.0001164900000000, -0.0018294900000000 ] - [ 0.0001069900000000, 0.0005115600000000, -0.0000256800000000 ] - [ -0.0002002000000000, 0.0005528200000000, -0.0007229500000000 ] - [ -0.0000774000000000, 0.0000342100000000, 0.0000059100000000 ] - [ 0.0000000000000000, -0.0001703300000000, 0.0004263500000000 ] - [ 0.0000000000000000, -0.0003317900000000, 0.0002507100000000 ] - [ -0.0000923700000000, -0.0002172300000000, 0.0002344800000000 ] - [ -0.0000236700000000, 0.0000607900000000, -0.0000080500000000 ] - [ 0.0000000000000000, 0.0004569300000000, 0.0001894900000000 ] - [ 0.0000000000000000, 0.0002893900000000, 0.0003073000000000 ] - [ 0.0000710600000000, -0.0004578300000000, -0.0000703900000000 ] - [ 0.0001259700000000, -0.0005773900000000, 0.0001073200000000 ] - [ 0.0000203500000000, 0.0001241700000000, -0.0004364800000000 ] - [ 0.0000325100000000, 0.0000104400000000, -0.0004577200000000 ] - [ -0.0000321300000000, -0.0001811800000000, 0.0004390000000000 ] - [ 0.0000682500000000, -0.0000175200000000, 0.0004820200000000 ] - [ -0.0000470300000000, -0.0000561000000000, -0.0004668900000000 ] - [ -0.0000590800000000, -0.0000055400000000, -0.0004811400000000 ] - [ -0.0000203500000000, 0.0001241700000000, -0.0004364800000000 ] - [ -0.0000325100000000, 0.0000104400000000, -0.0004577200000000 ] - [ 0.0000891600000000, 0.0004428400000000, 0.0001202900000000 ] - [ 0.0001000100000000, 0.0005011800000000, 0.0000355300000000 ] - [ -0.0002507000000000, -0.0001164900000000, -0.0018294900000000 ] - [ -0.0001069900000000, 0.0005115600000000, -0.0000256800000000 ] - [ 0.0002002000000000, 0.0005528200000000, -0.0007229500000000 ] - [ 0.0000774000000000, 0.0000342100000000, 0.0000059100000000 ] - [ 0.0000470300000000, -0.0000561000000000, -0.0004668900000000 ] - [ 0.0000590800000000, -0.0000055400000000, -0.0004811400000000 ] - [ 0.0000923700000000, -0.0002172300000000, 0.0002344800000000 ] - [ 0.0000236700000000, 0.0000607900000000, -0.0000080500000000 ] - [ 0.0000000000000000, -0.0005962800000000, -0.0000643400000000 ] - [ 0.0000000000000000, -0.0001368000000000, -0.0004455500000000 ] - [ -0.0000891600000000, 0.0004428400000000, 0.0001202900000000 ] - [ -0.0001000100000000, 0.0005011800000000, 0.0000355300000000 ] - [ -0.0000710600000000, -0.0004578300000000, -0.0000703900000000 ] - [ -0.0001259700000000, -0.0005773900000000, 0.0001073200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001542500000000, 0.0000836100000000, -0.0002923700000000 ] - [ 0.0008836200000000, -0.0000582600000000, 0.0000849000000000 ] - [ 0.0000000000000000, -0.0006001800000000, 0.0004463500000000 ] - [ 0.0000000000000000, -0.0002962500000000, -0.0001107200000000 ] - [ 0.0000000000000000, -0.0078490400000000, 0.0019234900000000 ] - [ 0.0000000000000000, -0.0004467600000000, 0.0000054900000000 ] - [ 0.0000000000000000, -0.0004584000000000, -0.0000590000000000 ] - [ 0.0000000000000000, -0.0159908200000000, 0.0204605700000000 ] - [ 0.0000000000000000, 0.0043038600000000, -0.2841832300000000 ] - [ 0.0000000000000000, -0.0000563100000000, 0.0000573800000000 ] - [ -0.0002992100000000, 0.0001090600000000, -0.0000325700000000 ] - [ -0.0004959500000000, -0.0000353100000000, 0.0000202900000000 ] - [ 0.0000000000000000, 0.0002747800000000, 0.0016547800000000 ] - [ 0.0000000000000000, -0.0001677800000000, -0.0002213700000000 ] - [ 0.0000000000000000, -0.0002492400000000, 0.0003871800000000 ] - [ 0.0000000000000000, -0.0061313300000000, 0.0098060900000000 ] - [ 0.0000000000000000, 0.0168906900000000, 0.0796521300000000 ] - [ 0.0000000000000000, -0.0000880000000000, -0.0001301800000000 ] - [ 0.0002992100000000, 0.0001090600000000, -0.0000325700000000 ] - [ 0.0004959500000000, -0.0000353100000000, 0.0000202900000000 ] - [ 0.0000000000000000, 0.0002604400000000, -0.0004547000000000 ] - [ 0.0000000000000000, 0.0000222300000000, -0.0004478300000000 ] - [ 0.0001542500000000, 0.0000836100000000, -0.0002923700000000 ] - [ -0.0008836200000000, -0.0000582600000000, 0.0000849000000000 ] - [ 0.0013172600000000, -0.0000191000000000, -0.0000916700000000 ] - [ 0.0007481700000000, -0.0000616000000000, -0.0000178100000000 ] - [ 0.0000000000000000, 0.0002371400000000, 0.0002117600000000 ] - [ 0.0000000000000000, 0.0000612500000000, 0.0000768200000000 ] - [ 0.0000000000000000, -0.0001815500000000, -0.0001133000000000 ] - [ 0.0000000000000000, -0.0000821800000000, -0.0001331700000000 ] - [ 0.0000000000000000, -0.0000472700000000, -0.0001013500000000 ] - [ 0.0000000000000000, -0.0002451500000000, 0.0000657700000000 ] - [ 0.0000000000000000, 0.0001573900000000, -0.0001842600000000 ] - [ 0.0000000000000000, 0.0000851300000000, -0.0001858900000000 ] - [ -0.0290621800000000, -0.0167811300000000, 0.0441875700000000 ] - [ -0.0005459400000000, -0.0000865500000000, -0.0000573900000000 ] - [ 0.0000000000000000, -0.0001433100000000, 0.0000040800000000 ] - [ 0.0000000000000000, -0.0000470800000000, 0.0001018100000000 ] - [ 0.0000000000000000, 0.0001089200000000, 0.0003831400000000 ] - [ 0.0000000000000000, -0.0001470900000000, 0.0001173500000000 ] - [ 0.0000000000000000, 0.0001238000000000, -0.0000222200000000 ] - [ 0.0000000000000000, 0.0001353100000000, -0.0000621200000000 ] - [ 0.0290621800000000, -0.0167811300000000, 0.0441875700000000 ] - [ 0.0005459400000000, -0.0000865500000000, -0.0000573900000000 ] - [ 0.0000000000000000, 0.0001896000000000, -0.0001288500000000 ] - [ 0.0000000000000000, 0.0000254800000000, 0.0000529100000000 ] - [ -0.0013172600000000, -0.0000191000000000, -0.0000916700000000 ] - [ -0.0007481700000000, -0.0000616000000000, -0.0000178100000000 ] - [ 0.0000796500000000, -0.0004830100000000, 0.0000214100000000 ] - [ 0.0000782500000000, -0.0004727400000000, 0.0000643200000000 ] - [ -0.0001526600000000, 0.0001859900000000, 0.0004910800000000 ] - [ 0.0000054300000000, 0.0000150000000000, 0.0004696200000000 ] - [ -0.0000260700000000, 0.0001443300000000, 0.0004634500000000 ] - [ -0.0005677600000000, -0.0000291800000000, 0.0014460500000000 ] - [ 0.0000000000000000, 0.0006457600000000, 0.0004359100000000 ] - [ 0.0000000000000000, 0.0012832600000000, -0.0004629000000000 ] - [ -0.0000796500000000, -0.0004830100000000, 0.0000214100000000 ] - [ -0.0000782500000000, -0.0004727400000000, 0.0000643200000000 ] - [ 0.0000260700000000, 0.0001443300000000, 0.0004634500000000 ] - [ 0.0005677600000000, -0.0000291800000000, 0.0014460500000000 ] - [ 0.0000538000000000, 0.0004344900000000, -0.0000813600000000 ] - [ 0.0000917400000000, 0.0004929800000000, -0.0000499800000000 ] - [ -0.0003445000000000, -0.0003806300000000, -0.0001043200000000 ] - [ -0.0002005400000000, 0.0000698900000000, 0.0000118900000000 ] - [ 0.0000000000000000, 0.0002172600000000, -0.0019869600000000 ] - [ 0.0000000000000000, -0.0000758600000000, 0.0005541300000000 ] - [ -0.0008061900000000, -0.0001058800000000, 0.0000939600000000 ] - [ 0.0001274400000000, -0.0000118500000000, -0.0000011600000000 ] - [ 0.0000000000000000, -0.0057999600000000, 0.0427934500000000 ] - [ 0.0000000000000000, 0.0005591800000000, 0.0000726400000000 ] - [ 0.0002833900000000, -0.0001827800000000, -0.0000711400000000 ] - [ 0.0000537300000000, -0.0004398700000000, -0.0000719800000000 ] - [ 0.0000588400000000, 0.0003325800000000, -0.0005765100000000 ] - [ -0.0000009000000000, 0.0001570400000000, -0.0004363900000000 ] - [ 0.0001526600000000, 0.0001859900000000, 0.0004910800000000 ] - [ -0.0000054300000000, 0.0000150000000000, 0.0004696200000000 ] - [ -0.0091033400000000, 0.0095021900000000, 0.0112431900000000 ] - [ -0.0000799500000000, -0.0000039500000000, -0.0004798500000000 ] - [ -0.0000588400000000, 0.0003325800000000, -0.0005765100000000 ] - [ 0.0000009000000000, 0.0001570400000000, -0.0004363900000000 ] - [ 0.0002366100000000, 0.0006034900000000, -0.0001446500000000 ] - [ 0.0000691500000000, 0.0005040200000000, 0.0000714000000000 ] - [ -0.0000538000000000, 0.0004344900000000, -0.0000813600000000 ] - [ -0.0000917400000000, 0.0004929800000000, -0.0000499800000000 ] - [ 0.0003445000000000, -0.0003806300000000, -0.0001043200000000 ] - [ 0.0002005400000000, 0.0000698900000000, 0.0000118900000000 ] - [ 0.0091033400000000, 0.0095021900000000, 0.0112431900000000 ] - [ 0.0000799500000000, -0.0000039500000000, -0.0004798500000000 ] - [ 0.0008061900000000, -0.0001058800000000, 0.0000939600000000 ] - [ -0.0001274400000000, -0.0000118500000000, -0.0000011600000000 ] - [ 0.0000000000000000, 0.0001666700000000, -0.0006954000000000 ] - [ 0.0000000000000000, 0.0012261200000000, -0.0025416700000000 ] - [ -0.0002366100000000, 0.0006034900000000, -0.0001446500000000 ] - [ -0.0000691500000000, 0.0005040200000000, 0.0000714000000000 ] - [ -0.0002833900000000, -0.0001827800000000, -0.0000711400000000 ] - [ -0.0000537300000000, -0.0004398700000000, -0.0000719800000000 ] - [ 0.0000583700000000, -0.0004530000000000, 0.0000857100000000 ] - [ -0.0105383300000000, 0.0121834700000000, 0.0092856100000000 ] - [ -0.0000253700000000, -0.0000879700000000, 0.0004255500000000 ] - [ -0.0000520900000000, -0.0000419700000000, 0.0004742800000000 ] - [ -0.0000822000000000, -0.0000125400000000, 0.0005331900000000 ] - [ -0.0000367000000000, 0.0000960900000000, 0.0004462000000000 ] - [ 0.0000000000000000, 0.0003727000000000, -0.0001475700000000 ] - [ 0.0000000000000000, 0.0004195600000000, -0.0002103500000000 ] - [ -0.0000583700000000, -0.0004530000000000, 0.0000857100000000 ] - [ 0.0105383300000000, 0.0121834700000000, 0.0092856100000000 ] - [ 0.0000822000000000, -0.0000125400000000, 0.0005331900000000 ] - [ 0.0000367000000000, 0.0000960900000000, 0.0004462000000000 ] - [ 0.0006823400000000, -0.0001564400000000, 0.0028768600000000 ] - [ 0.0001028500000000, 0.0005096300000000, -0.0000293000000000 ] - [ -0.0002145100000000, 0.0007130900000000, -0.0018808700000000 ] - [ -0.0001417700000000, 0.0000034800000000, 0.0000041600000000 ] - [ 0.0000000000000000, -0.0003788100000000, 0.0002436800000000 ] - [ 0.0000000000000000, -0.0003654100000000, 0.0001152800000000 ] - [ 0.0007845700000000, -0.0002094100000000, -0.0000696000000000 ] - [ 0.0000569200000000, 0.0000773600000000, -0.0000086600000000 ] - [ 0.0000000000000000, 0.0002840400000000, 0.0004146800000000 ] - [ 0.0000000000000000, 0.0001822200000000, 0.0004060200000000 ] - [ 0.0000809100000000, -0.0004644900000000, -0.0000613200000000 ] - [ 0.0001105900000000, -0.0005213900000000, -0.0000161300000000 ] - [ 0.0000276700000000, 0.0001008700000000, -0.0004320000000000 ] - [ 0.0000345500000000, 0.0000184100000000, -0.0004795900000000 ] - [ 0.0000253700000000, -0.0000879700000000, 0.0004255500000000 ] - [ 0.0000520900000000, -0.0000419700000000, 0.0004742800000000 ] - [ -0.0000506100000000, -0.0001269700000000, -0.0004394700000000 ] - [ -0.0000613800000000, -0.0000649400000000, -0.0004878700000000 ] - [ -0.0000276700000000, 0.0001008700000000, -0.0004320000000000 ] - [ -0.0000345500000000, 0.0000184100000000, -0.0004795900000000 ] - [ 0.0000910800000000, 0.0005027600000000, 0.0000495200000000 ] - [ 0.0000934500000000, 0.0004921200000000, 0.0000446400000000 ] - [ -0.0006823400000000, -0.0001564400000000, 0.0028768600000000 ] - [ -0.0001028500000000, 0.0005096300000000, -0.0000293000000000 ] - [ 0.0002145100000000, 0.0007130900000000, -0.0018808700000000 ] - [ 0.0001417700000000, 0.0000034800000000, 0.0000041600000000 ] - [ 0.0000506100000000, -0.0001269700000000, -0.0004394700000000 ] - [ 0.0000613800000000, -0.0000649400000000, -0.0004878700000000 ] - [ -0.0007845700000000, -0.0002094100000000, -0.0000696000000000 ] - [ -0.0000569200000000, 0.0000773600000000, -0.0000086600000000 ] - [ 0.0000000000000000, -0.0002597100000000, -0.0004365200000000 ] - [ 0.0000000000000000, -0.0002071700000000, -0.0003851200000000 ] - [ -0.0000910800000000, 0.0005027600000000, 0.0000495200000000 ] - [ -0.0000934500000000, 0.0004921200000000, 0.0000446400000000 ] - [ -0.0000809100000000, -0.0004644900000000, -0.0000613200000000 ] - [ -0.0001105900000000, -0.0005213900000000, -0.0000161300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014513400000000, -0.0000828900000000, 0.0002892100000000 ] - [ 0.0004077200000000, 0.0000644100000000, -0.0000840200000000 ] - [ 0.0000000000000000, 0.0009011800000000, -0.0003026600000000 ] - [ 0.0000000000000000, 0.0005846300000000, 0.0002568700000000 ] - [ 0.0000000000000000, 0.0075009800000000, -0.0020972300000000 ] - [ 0.0000000000000000, 0.0001415900000000, -0.0001456400000000 ] - [ 0.0000000000000000, 0.0001471900000000, 0.0002015000000000 ] - [ 0.0000000000000000, 0.0153928300000000, -0.0202287200000000 ] - [ 0.0000000000000000, -0.0052068900000000, 0.2816959100000000 ] - [ 0.0000000000000000, 0.0002390600000000, -0.0002316600000000 ] - [ -0.0009920800000000, -0.0001073700000000, 0.0000317000000000 ] - [ -0.0007941800000000, 0.0000375300000000, -0.0000213200000000 ] - [ 0.0000000000000000, -0.0004612000000000, -0.0018363400000000 ] - [ 0.0000000000000000, -0.0000121800000000, 0.0000447000000000 ] - [ 0.0000000000000000, 0.0000622000000000, -0.0002151500000000 ] - [ 0.0000000000000000, 0.0057767000000000, -0.0094859800000000 ] - [ 0.0000000000000000, -0.0156325500000000, -0.0772182000000000 ] - [ 0.0000000000000000, 0.0003958800000000, -0.0000122400000000 ] - [ 0.0009920800000000, -0.0001073700000000, 0.0000317000000000 ] - [ 0.0007941800000000, 0.0000375300000000, -0.0000213200000000 ] - [ 0.0000000000000000, -0.0000722500000000, 0.0006406900000000 ] - [ 0.0000000000000000, 0.0001735000000000, 0.0006468000000000 ] - [ -0.0014513400000000, -0.0000828900000000, 0.0002892100000000 ] - [ -0.0004077200000000, 0.0000644100000000, -0.0000840200000000 ] - [ -0.0000369200000000, 0.0000174200000000, 0.0000939500000000 ] - [ 0.0005379000000000, 0.0000639600000000, 0.0000163800000000 ] - [ 0.0000000000000000, 0.0000676900000000, -0.0000683000000000 ] - [ 0.0000000000000000, 0.0002447200000000, 0.0000665200000000 ] - [ 0.0000000000000000, -0.0001187200000000, -0.0000332200000000 ] - [ 0.0000000000000000, -0.0002205000000000, -0.0000090200000000 ] - [ 0.0000000000000000, -0.0002585900000000, 0.0002450800000000 ] - [ 0.0000000000000000, -0.0000621200000000, 0.0000750100000000 ] - [ 0.0000000000000000, 0.0000281400000000, 0.0000126300000000 ] - [ 0.0000000000000000, 0.0001020600000000, 0.0000119200000000 ] - [ 0.0268298700000000, 0.0163389000000000, -0.0434373600000000 ] - [ -0.0007421100000000, 0.0000850000000000, 0.0000576400000000 ] - [ 0.0000000000000000, -0.0000358900000000, -0.0001729100000000 ] - [ 0.0000000000000000, -0.0001386200000000, -0.0002762200000000 ] - [ 0.0000000000000000, -0.0002939300000000, -0.0002118000000000 ] - [ 0.0000000000000000, -0.0000351900000000, 0.0000560900000000 ] - [ 0.0000000000000000, 0.0001839600000000, -0.0001235500000000 ] - [ 0.0000000000000000, 0.0001757700000000, -0.0000816900000000 ] - [ -0.0268298700000000, 0.0163389000000000, -0.0434373600000000 ] - [ 0.0007421100000000, 0.0000850000000000, 0.0000576400000000 ] - [ 0.0000000000000000, -0.0000099200000000, 0.0003032100000000 ] - [ 0.0000000000000000, 0.0001596400000000, 0.0001116700000000 ] - [ 0.0000369200000000, 0.0000174200000000, 0.0000939500000000 ] - [ -0.0005379000000000, 0.0000639600000000, 0.0000163800000000 ] - [ 0.0000893400000000, -0.0004770500000000, 0.0000873400000000 ] - [ 0.0000908300000000, -0.0004863800000000, 0.0000438100000000 ] - [ 0.0000627200000000, -0.0003316300000000, 0.0004289100000000 ] - [ -0.0000827800000000, -0.0001600300000000, 0.0004501900000000 ] - [ -0.0000577300000000, -0.0000003200000000, 0.0004559500000000 ] - [ 0.0004754000000000, 0.0001518700000000, -0.0005074700000000 ] - [ 0.0000000000000000, -0.0000208600000000, -0.0010316600000000 ] - [ 0.0000000000000000, -0.0006461300000000, -0.0001951900000000 ] - [ -0.0000893400000000, -0.0004770500000000, 0.0000873400000000 ] - [ -0.0000908300000000, -0.0004863800000000, 0.0000438100000000 ] - [ 0.0000577300000000, -0.0000003200000000, 0.0004559500000000 ] - [ -0.0004754000000000, 0.0001518700000000, -0.0005074700000000 ] - [ 0.0001158100000000, 0.0005234200000000, -0.0000260600000000 ] - [ 0.0000769800000000, 0.0004687800000000, -0.0000582800000000 ] - [ 0.0002520400000000, 0.0003828500000000, 0.0001038000000000 ] - [ 0.0001060100000000, -0.0000673200000000, -0.0000118600000000 ] - [ 0.0000000000000000, -0.0007692800000000, 0.0025522900000000 ] - [ 0.0000000000000000, -0.0005451200000000, 0.0000433600000000 ] - [ 0.0007193900000000, 0.0001045600000000, -0.0000937700000000 ] - [ -0.0002228000000000, 0.0000140800000000, 0.0000022800000000 ] - [ 0.0000000000000000, 0.0073179800000000, -0.0442919900000000 ] - [ 0.0000000000000000, 0.0000595600000000, 0.0005332500000000 ] - [ -0.0001114700000000, -0.0007804400000000, -0.0000359000000000 ] - [ 0.0001146400000000, -0.0005174000000000, -0.0000340600000000 ] - [ 0.0000314400000000, -0.0001832300000000, -0.0003437100000000 ] - [ 0.0000893200000000, -0.0000161600000000, -0.0004855500000000 ] - [ -0.0000627200000000, -0.0003316300000000, 0.0004289100000000 ] - [ 0.0000827800000000, -0.0001600300000000, 0.0004501900000000 ] - [ 0.0085431500000000, -0.0092272000000000, -0.0120491000000000 ] - [ -0.0000056000000000, -0.0001385000000000, -0.0004398700000000 ] - [ -0.0000314400000000, -0.0001832300000000, -0.0003437100000000 ] - [ -0.0000893200000000, -0.0000161600000000, -0.0004855500000000 ] - [ -0.0000633800000000, 0.0003537800000000, 0.0002537900000000 ] - [ 0.0000986000000000, 0.0004574600000000, 0.0000347400000000 ] - [ -0.0001158100000000, 0.0005234200000000, -0.0000260600000000 ] - [ -0.0000769800000000, 0.0004687800000000, -0.0000582800000000 ] - [ -0.0002520400000000, 0.0003828500000000, 0.0001038000000000 ] - [ -0.0001060100000000, -0.0000673200000000, -0.0000118600000000 ] - [ -0.0085431500000000, -0.0092272000000000, -0.0120491000000000 ] - [ 0.0000056000000000, -0.0001385000000000, -0.0004398700000000 ] - [ -0.0007193900000000, 0.0001045600000000, -0.0000937700000000 ] - [ 0.0002228000000000, 0.0000140800000000, 0.0000022800000000 ] - [ 0.0000000000000000, -0.0007885500000000, 0.0000905800000000 ] - [ 0.0000000000000000, -0.0018032600000000, 0.0018704800000000 ] - [ 0.0000633800000000, 0.0003537800000000, 0.0002537900000000 ] - [ -0.0000986000000000, 0.0004574600000000, 0.0000347400000000 ] - [ 0.0001114700000000, -0.0007804400000000, -0.0000359000000000 ] - [ -0.0001146400000000, -0.0005174000000000, -0.0000340600000000 ] - [ 0.0001101300000000, -0.0005069700000000, 0.0000218000000000 ] - [ 0.0108710800000000, -0.0133090400000000, -0.0091888000000000 ] - [ -0.0000606000000000, -0.0000588100000000, 0.0004945100000000 ] - [ -0.0000341700000000, -0.0001047000000000, 0.0004430500000000 ] - [ -0.0000036600000000, 0.0001571300000000, 0.0003870600000000 ] - [ -0.0000501000000000, 0.0000479600000000, 0.0004736700000000 ] - [ 0.0000000000000000, 0.0002484000000000, -0.0004542000000000 ] - [ 0.0000000000000000, 0.0002058200000000, -0.0003883100000000 ] - [ -0.0001101300000000, -0.0005069700000000, 0.0000218000000000 ] - [ -0.0108710800000000, -0.0133090400000000, -0.0091888000000000 ] - [ 0.0000036600000000, 0.0001571300000000, 0.0003870600000000 ] - [ 0.0000501000000000, 0.0000479600000000, 0.0004736700000000 ] - [ -0.0004723000000000, 0.0011175300000000, -0.0029184000000000 ] - [ 0.0000671600000000, 0.0004507500000000, -0.0000769800000000 ] - [ 0.0001117300000000, -0.0007077900000000, 0.0018216100000000 ] - [ 0.0000445000000000, -0.0000035400000000, -0.0000043000000000 ] - [ 0.0000000000000000, -0.0002433200000000, 0.0003555400000000 ] - [ 0.0000000000000000, -0.0002599700000000, 0.0004859000000000 ] - [ -0.0008906400000000, 0.0002108100000000, 0.0000697200000000 ] - [ -0.0001484800000000, -0.0000767000000000, 0.0000082000000000 ] - [ 0.0000000000000000, 0.0003345100000000, 0.0001925600000000 ] - [ 0.0000000000000000, 0.0004408100000000, 0.0001982900000000 ] - [ 0.0000928500000000, -0.0004958400000000, -0.0000459500000000 ] - [ 0.0000582300000000, -0.0004362900000000, -0.0000941900000000 ] - [ 0.0000616300000000, 0.0000442300000000, -0.0004863900000000 ] - [ 0.0000497800000000, 0.0001289700000000, -0.0004404000000000 ] - [ 0.0000606000000000, -0.0000588100000000, 0.0004945100000000 ] - [ 0.0000341700000000, -0.0001047000000000, 0.0004430500000000 ] - [ -0.0000337100000000, -0.0000199600000000, -0.0004803200000000 ] - [ -0.0000227100000000, -0.0000816200000000, -0.0004301100000000 ] - [ -0.0000616300000000, 0.0000442300000000, -0.0004863900000000 ] - [ -0.0000497800000000, 0.0001289700000000, -0.0004404000000000 ] - [ 0.0000777800000000, 0.0004548900000000, 0.0000585800000000 ] - [ 0.0000767400000000, 0.0004677300000000, 0.0000670700000000 ] - [ 0.0004723000000000, 0.0011175300000000, -0.0029184000000000 ] - [ -0.0000671600000000, 0.0004507500000000, -0.0000769800000000 ] - [ -0.0001117300000000, -0.0007077900000000, 0.0018216100000000 ] - [ -0.0000445000000000, -0.0000035400000000, -0.0000043000000000 ] - [ 0.0000337100000000, -0.0000199600000000, -0.0004803200000000 ] - [ 0.0000227100000000, -0.0000816200000000, -0.0004301100000000 ] - [ 0.0008906400000000, 0.0002108100000000, 0.0000697200000000 ] - [ 0.0001484800000000, -0.0000767000000000, 0.0000082000000000 ] - [ 0.0000000000000000, -0.0003638900000000, -0.0001669400000000 ] - [ 0.0000000000000000, -0.0004195200000000, -0.0002136600000000 ] - [ -0.0000777800000000, 0.0004548900000000, 0.0000585800000000 ] - [ -0.0000767400000000, 0.0004677300000000, 0.0000670700000000 ] - [ -0.0000928500000000, -0.0004958400000000, -0.0000459500000000 ] - [ -0.0000582300000000, -0.0004362900000000, -0.0000941900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005700300000000, -0.0000109500000000, 0.0000090200000000 ] - [ 0.0006405200000000, 0.0000122600000000, -0.0000004800000000 ] - [ -0.0000770000000000, 0.0000973200000000, 0.0000846300000000 ] - [ -0.0000024300000000, 0.0001756300000000, 0.0000701700000000 ] - [ -0.0000492700000000, -0.0001431200000000, -0.0000512100000000 ] - [ -0.0000011900000000, -0.0001339500000000, -0.0000725500000000 ] - [ -0.0000544100000000, -0.0001895400000000, 0.0000563800000000 ] - [ -0.0000015000000000, -0.0001279500000000, 0.0000705200000000 ] - [ -0.0000716600000000, 0.0001073900000000, -0.0000886200000000 ] - [ -0.0000121100000000, 0.0000992700000000, -0.0000900000000000 ] - [ 0.0009984500000000, -0.0013180100000000, -0.0034880600000000 ] - [ -0.0006451200000000, 0.0000169300000000, 0.0000033200000000 ] - [ -0.0000518700000000, -0.0000872400000000, -0.0000785300000000 ] - [ -0.0000020400000000, -0.0000768300000000, -0.0000753500000000 ] - [ -0.0000558500000000, -0.0000968900000000, 0.0001178000000000 ] - [ -0.0000106700000000, -0.0000927700000000, 0.0000769900000000 ] - [ -0.0000688600000000, 0.0001563200000000, -0.0001033400000000 ] - [ 0.0000020300000000, 0.0001697600000000, -0.0000687000000000 ] - [ 0.0070145600000000, 0.0008136900000000, 0.0029246500000000 ] - [ 0.0006466300000000, 0.0000172400000000, 0.0000035700000000 ] - [ -0.0000420000000000, 0.0000480400000000, 0.0000573000000000 ] - [ -0.0000031300000000, 0.0001081500000000, 0.0000924700000000 ] - [ -0.0010432000000000, 0.0000170200000000, -0.0000787000000000 ] - [ -0.0006408300000000, 0.0000137000000000, -0.0000001300000000 ] - [ 0.0005977100000000, 0.0003324700000000, 0.0000911100000000 ] - [ 0.0006864800000000, -0.0000500300000000, 0.0000125600000000 ] - [ 0.0003038700000000, 0.0000347700000000, 0.0003080500000000 ] - [ 0.0000071000000000, 0.0002048100000000, 0.0000547900000000 ] - [ 0.0001270800000000, -0.0001811000000000, -0.0001494500000000 ] - [ 0.0000089600000000, -0.0001444400000000, -0.0000606500000000 ] - [ 0.0336790900000000, 0.0084101900000000, -0.0209565500000000 ] - [ 0.0000032500000000, -0.0001139700000000, 0.0000785000000000 ] - [ 0.0327714700000000, -0.0194698200000000, -0.0106032700000000 ] - [ 0.0000054300000000, 0.0001132800000000, -0.0001106400000000 ] - [ -0.0007097900000000, 0.0000581700000000, -0.0000233400000000 ] - [ -0.0006145200000000, -0.0000348900000000, 0.0000102500000000 ] - [ -0.0000055800000000, -0.0000992200000000, 0.0000635700000000 ] - [ 0.0000365300000000, -0.0001373000000000, -0.0001036000000000 ] - [ 0.0014691700000000, 0.0000759700000000, -0.0004725900000000 ] - [ 0.0000058500000000, -0.0000690300000000, 0.0000669900000000 ] - [ 0.0014514800000000, -0.0003710200000000, -0.0004074200000000 ] - [ 0.0000043400000000, 0.0001814400000000, -0.0000657600000000 ] - [ 0.0005730700000000, -0.0000300900000000, 0.0000093200000000 ] - [ 0.0004758900000000, 0.0000190400000000, -0.0000110200000000 ] - [ 0.0000902800000000, 0.0003487000000000, -0.0001154100000000 ] - [ 0.0000477300000000, 0.0001162000000000, 0.0001148900000000 ] - [ -0.0006711500000000, 0.0000088800000000, 0.0000849100000000 ] - [ -0.0006969200000000, 0.0000326700000000, -0.0000458600000000 ] - [ -0.0773062700000000, 0.0111708200000000, 0.0324015900000000 ] - [ 0.0000899600000000, -0.0004838500000000, 0.0000515000000000 ] - [ -0.0000281900000000, -0.0000844500000000, 0.0004543500000000 ] - [ -0.0000414600000000, -0.0000811800000000, 0.0004578900000000 ] - [ -0.0000278400000000, 0.0000824300000000, 0.0004467100000000 ] - [ -0.0000395200000000, 0.0000664500000000, 0.0004659800000000 ] - [ 0.0000151000000000, 0.0003666800000000, -0.0002359700000000 ] - [ -0.0000008000000000, 0.0002915200000000, -0.0003200100000000 ] - [ 0.0014031500000000, -0.0002664200000000, 0.0006572500000000 ] - [ -0.0000914400000000, -0.0004843800000000, 0.0000520900000000 ] - [ 0.0000574000000000, 0.0000644800000000, 0.0004794400000000 ] - [ 0.0000605400000000, 0.0000704200000000, 0.0004603600000000 ] - [ -0.0015969800000000, 0.0013097500000000, 0.0020921300000000 ] - [ 0.0000837200000000, 0.0004758200000000, -0.0000603100000000 ] - [ 0.0005303500000000, 0.0001060600000000, 0.0002740800000000 ] - [ -0.0000423700000000, -0.0000045300000000, -0.0000007300000000 ] - [ 0.0000117800000000, -0.0003205800000000, 0.0002815000000000 ] - [ -0.0000009500000000, -0.0003326400000000, 0.0002841700000000 ] - [ 0.0005212900000000, 0.0000698200000000, -0.0005063400000000 ] - [ -0.0000458600000000, -0.0000088400000000, 0.0000009600000000 ] - [ 0.0000063300000000, 0.0003004600000000, 0.0003178500000000 ] - [ -0.0000001100000000, 0.0002930400000000, 0.0003192000000000 ] - [ 0.0001167800000000, -0.0004917500000000, -0.0000530700000000 ] - [ 0.0000908000000000, -0.0004834900000000, -0.0000523000000000 ] - [ 0.0000716700000000, 0.0000586000000000, -0.0004666900000000 ] - [ 0.0000496500000000, 0.0000666500000000, -0.0004645500000000 ] - [ 0.0000815300000000, -0.0000477300000000, 0.0004705100000000 ] - [ 0.0000436500000000, -0.0000799300000000, 0.0004571800000000 ] - [ -0.0000430300000000, -0.0001074500000000, -0.0004421700000000 ] - [ -0.0000384800000000, -0.0000718400000000, -0.0004612300000000 ] - [ -0.0000221400000000, 0.0000884200000000, -0.0004507800000000 ] - [ -0.0000482700000000, 0.0000672800000000, -0.0004628100000000 ] - [ 0.0001175800000000, 0.0005027600000000, 0.0000314100000000 ] - [ 0.0000862800000000, 0.0004775100000000, 0.0000557300000000 ] - [ -0.0001993300000000, 0.0002199600000000, -0.0007301200000000 ] - [ -0.0000855400000000, 0.0004762700000000, -0.0000576400000000 ] - [ 0.0015889400000000, 0.0012445400000000, 0.0032973200000000 ] - [ 0.0000402800000000, -0.0000045600000000, -0.0000007100000000 ] - [ 0.0000619400000000, -0.0000627100000000, -0.0004804800000000 ] - [ 0.0000565000000000, -0.0000762200000000, -0.0004574500000000 ] - [ 0.0001225300000000, 0.0000123500000000, -0.0000252800000000 ] - [ 0.0000488800000000, -0.0000082200000000, 0.0000009400000000 ] - [ 0.0000015300000000, -0.0002587300000000, -0.0003493200000000 ] - [ 0.0000000100000000, -0.0003335600000000, -0.0002864800000000 ] - [ -0.0000450600000000, 0.0004728200000000, 0.0000565700000000 ] - [ -0.0000848500000000, 0.0004771300000000, 0.0000586800000000 ] - [ 0.0000686200000000, -0.0004754500000000, -0.0000762100000000 ] - [ -0.0000893200000000, -0.0004830300000000, -0.0000518100000000 ] - [ 0.0001000700000000, -0.0004815100000000, 0.0000428600000000 ] - [ 0.0001014200000000, -0.0004891800000000, 0.0000524500000000 ] - [ -0.0000222200000000, -0.0001002000000000, 0.0004474500000000 ] - [ -0.0000461300000000, -0.0000842300000000, 0.0004549100000000 ] - [ 0.0009820800000000, 0.0000372300000000, -0.0025322100000000 ] - [ -0.0000537200000000, 0.0000637100000000, 0.0004665300000000 ] - [ 0.0000609200000000, 0.0014469000000000, -0.0001146100000000 ] - [ -0.0000010100000000, 0.0002743200000000, -0.0003344000000000 ] - [ -0.0000764500000000, -0.0004820500000000, 0.0000670600000000 ] - [ -0.0000773200000000, -0.0004704600000000, 0.0000645400000000 ] - [ -0.0020105500000000, 0.0007423700000000, 0.0001370100000000 ] - [ 0.0000518000000000, 0.0000634200000000, 0.0004633900000000 ] - [ 0.0001044900000000, 0.0004780800000000, -0.0000350300000000 ] - [ 0.0001004500000000, 0.0004886800000000, -0.0000559100000000 ] - [ 0.0000199100000000, -0.0000394200000000, 0.0000284200000000 ] - [ -0.0000601700000000, 0.0000032300000000, 0.0000012700000000 ] - [ -0.0000440800000000, -0.0006312500000000, 0.0000614900000000 ] - [ 0.0000005800000000, -0.0003476100000000, 0.0002674500000000 ] - [ -0.0000617000000000, -0.0000045000000000, -0.0000053200000000 ] - [ -0.0000050500000000, 0.0000001400000000, 0.0000036800000000 ] - [ 0.0001369800000000, -0.0008688300000000, 0.0016450100000000 ] - [ 0.0000002800000000, 0.0002709400000000, 0.0003438200000000 ] - [ 0.0000664300000000, -0.0004891300000000, -0.0000712000000000 ] - [ 0.0000647100000000, -0.0004528500000000, -0.0000601200000000 ] - [ 0.0000139700000000, 0.0001248000000000, -0.0004405400000000 ] - [ 0.0000200400000000, 0.0000387700000000, -0.0004826700000000 ] - [ -0.0003298700000000, -0.0003019800000000, 0.0004381300000000 ] - [ 0.0000299100000000, -0.0000828300000000, 0.0004577400000000 ] - [ 0.0009749000000000, -0.0019213400000000, -0.0026727800000000 ] - [ -0.0000434800000000, -0.0000838800000000, -0.0004576900000000 ] - [ -0.0000564800000000, 0.0000568900000000, -0.0004713400000000 ] - [ -0.0000557200000000, 0.0000557800000000, -0.0004706900000000 ] - [ 0.0000808000000000, 0.0004781300000000, 0.0000650800000000 ] - [ 0.0000819300000000, 0.0004704900000000, 0.0000548600000000 ] - [ -0.0000789100000000, 0.0004802400000000, -0.0000613200000000 ] - [ -0.0000799600000000, 0.0004767500000000, -0.0000575500000000 ] - [ 0.0001190500000000, 0.0000391600000000, 0.0000171500000000 ] - [ 0.0002245800000000, -0.0001135000000000, -0.0000214300000000 ] - [ -0.0020014000000000, -0.0007327100000000, -0.0002779000000000 ] - [ 0.0000409900000000, -0.0000847200000000, -0.0004575500000000 ] - [ 0.0000492900000000, -0.0000354800000000, -0.0000149200000000 ] - [ -0.0000081300000000, 0.0000144400000000, -0.0000007600000000 ] - [ -0.0000944000000000, -0.0000312800000000, -0.0007422300000000 ] - [ 0.0000004100000000, -0.0003499800000000, -0.0002681700000000 ] - [ -0.0001539900000000, 0.0004788000000000, -0.0000024200000000 ] - [ -0.0000896000000000, 0.0004784100000000, 0.0000618500000000 ] - [ -0.0001059700000000, -0.0004765300000000, -0.0000401100000000 ] - [ -0.0001045000000000, -0.0004979100000000, -0.0000667800000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007086500000000, 0.0000100000000000, -0.0000097600000000 ] - [ 0.0006428200000000, -0.0000104500000000, 0.0000013000000000 ] - [ 0.0000758900000000, 0.0002029300000000, 0.0000596700000000 ] - [ 0.0000018900000000, 0.0001322700000000, 0.0000725100000000 ] - [ 0.0000474400000000, -0.0001586500000000, -0.0000889300000000 ] - [ 0.0000013200000000, -0.0001686200000000, -0.0000700800000000 ] - [ 0.0000529000000000, -0.0001169900000000, 0.0000866100000000 ] - [ 0.0000016500000000, -0.0001758200000000, 0.0000730400000000 ] - [ 0.0000694500000000, 0.0000756800000000, -0.0000776900000000 ] - [ 0.0000115100000000, 0.0000828300000000, -0.0000786800000000 ] - [ -0.0023004100000000, 0.0013367900000000, 0.0035407800000000 ] - [ -0.0006382100000000, -0.0000160200000000, -0.0000028700000000 ] - [ 0.0000514100000000, -0.0000962800000000, -0.0000891800000000 ] - [ 0.0000014000000000, -0.0001050800000000, -0.0000928400000000 ] - [ 0.0000548400000000, -0.0000868300000000, 0.0000527300000000 ] - [ 0.0000115800000000, -0.0000887000000000, 0.0000899400000000 ] - [ 0.0000676200000000, 0.0001477800000000, -0.0000416300000000 ] - [ -0.0000018200000000, 0.0001350800000000, -0.0000741200000000 ] - [ -0.0056529900000000, -0.0009173100000000, -0.0031928700000000 ] - [ 0.0006398200000000, -0.0000163100000000, -0.0000037200000000 ] - [ 0.0000393600000000, 0.0001295400000000, 0.0001096000000000 ] - [ 0.0000030500000000, 0.0000772300000000, 0.0000789800000000 ] - [ -0.0002518100000000, -0.0000181400000000, 0.0000812400000000 ] - [ -0.0006441300000000, -0.0000118600000000, 0.0000007800000000 ] - [ 0.0006881600000000, -0.0003245600000000, -0.0000895500000000 ] - [ 0.0005987600000000, 0.0000504500000000, -0.0000131100000000 ] - [ -0.0002977500000000, 0.0002662400000000, -0.0001605200000000 ] - [ -0.0000072300000000, 0.0000992400000000, 0.0000880500000000 ] - [ -0.0001199600000000, -0.0001124900000000, -0.0000002200000000 ] - [ -0.0000075200000000, -0.0001615100000000, -0.0000824400000000 ] - [ -0.0346913000000000, -0.0092101900000000, 0.0220366800000000 ] - [ -0.0000030000000000, -0.0001913600000000, 0.0000633900000000 ] - [ -0.0337730800000000, 0.0206226900000000, 0.0108184600000000 ] - [ -0.0000048700000000, 0.0000707300000000, -0.0000586600000000 ] - [ -0.0005763500000000, -0.0000557400000000, 0.0000226100000000 ] - [ -0.0006705200000000, 0.0000337600000000, -0.0000097300000000 ] - [ 0.0000056600000000, -0.0000834800000000, -0.0002330700000000 ] - [ -0.0000367000000000, -0.0000483300000000, -0.0000718000000000 ] - [ -0.0014712100000000, -0.0002686500000000, 0.0006811900000000 ] - [ -0.0000049300000000, -0.0001130000000000, 0.0001001100000000 ] - [ -0.0014530200000000, 0.0006996500000000, 0.0002834900000000 ] - [ -0.0000033000000000, 0.0001271000000000, -0.0000752800000000 ] - [ 0.0007131900000000, 0.0000296900000000, -0.0000090100000000 ] - [ 0.0008080900000000, -0.0000190700000000, 0.0000107800000000 ] - [ -0.0000844900000000, -0.0001645400000000, 0.0002788300000000 ] - [ -0.0000472100000000, 0.0000673200000000, 0.0000553500000000 ] - [ -0.0006148200000000, -0.0000103600000000, -0.0000851500000000 ] - [ -0.0005880400000000, -0.0000322000000000, 0.0000452000000000 ] - [ 0.0794470000000000, -0.0126018000000000, -0.0335654700000000 ] - [ 0.0000868000000000, -0.0004765500000000, 0.0000558100000000 ] - [ -0.0000664100000000, -0.0000654500000000, 0.0004679400000000 ] - [ -0.0000504600000000, -0.0000657600000000, 0.0004658800000000 ] - [ -0.0000646400000000, 0.0000642200000000, 0.0004765400000000 ] - [ -0.0000549100000000, 0.0000825400000000, 0.0004564500000000 ] - [ -0.0000144600000000, 0.0002617600000000, -0.0003645100000000 ] - [ 0.0000011100000000, 0.0003317800000000, -0.0002842400000000 ] - [ -0.0016393800000000, -0.0006921200000000, -0.0005418400000000 ] - [ -0.0000845500000000, -0.0004757000000000, 0.0000595300000000 ] - [ 0.0000361900000000, 0.0000830000000000, 0.0004404000000000 ] - [ 0.0000353500000000, 0.0000764300000000, 0.0004592800000000 ] - [ 0.0017765400000000, -0.0003680700000000, -0.0022520400000000 ] - [ 0.0000918500000000, 0.0004845300000000, -0.0000505800000000 ] - [ -0.0006120400000000, -0.0001057200000000, -0.0002747200000000 ] - [ -0.0000465300000000, 0.0000043000000000, 0.0000008700000000 ] - [ -0.0000114100000000, -0.0003059000000000, 0.0003197200000000 ] - [ 0.0000014000000000, -0.0002930200000000, 0.0003205600000000 ] - [ -0.0005970700000000, -0.0000668900000000, 0.0004933300000000 ] - [ -0.0000452100000000, 0.0000079500000000, -0.0000011800000000 ] - [ -0.0000054500000000, 0.0003236900000000, 0.0002894800000000 ] - [ 0.0000007100000000, 0.0003325300000000, 0.0002873000000000 ] - [ 0.0000625000000000, -0.0004688500000000, -0.0000587300000000 ] - [ 0.0000844400000000, -0.0004769400000000, -0.0000586400000000 ] - [ 0.0000250100000000, 0.0000894500000000, -0.0004567200000000 ] - [ 0.0000416600000000, 0.0000818000000000, -0.0004586200000000 ] - [ 0.0000162200000000, -0.0000991000000000, 0.0004484100000000 ] - [ 0.0000489100000000, -0.0000670400000000, 0.0004628800000000 ] - [ -0.0000506900000000, -0.0000434900000000, -0.0004758300000000 ] - [ -0.0000537200000000, -0.0000753700000000, -0.0004585600000000 ] - [ -0.0000725600000000, 0.0000614500000000, -0.0004680600000000 ] - [ -0.0000431900000000, 0.0000809900000000, -0.0004576100000000 ] - [ 0.0000623200000000, 0.0004582800000000, 0.0000774900000000 ] - [ 0.0000876300000000, 0.0004820300000000, 0.0000526900000000 ] - [ 0.0000227600000000, 0.0007399300000000, 0.0006228800000000 ] - [ -0.0000896100000000, 0.0004836200000000, -0.0000523100000000 ] - [ -0.0014694500000000, -0.0012153200000000, -0.0032205200000000 ] - [ 0.0000500700000000, 0.0000044000000000, 0.0000008100000000 ] - [ 0.0000321300000000, -0.0000853900000000, -0.0004421200000000 ] - [ 0.0000354500000000, -0.0000721000000000, -0.0004645800000000 ] - [ -0.0000281000000000, -0.0000111300000000, 0.0000261900000000 ] - [ 0.0000424700000000, 0.0000073900000000, -0.0000009000000000 ] - [ -0.0000011600000000, -0.0003643000000000, -0.0002592300000000 ] - [ 0.0000003200000000, -0.0002923300000000, -0.0003188400000000 ] - [ -0.0001319900000000, 0.0004870100000000, 0.0000555400000000 ] - [ -0.0000898900000000, 0.0004823100000000, 0.0000523800000000 ] - [ -0.0002397400000000, -0.0004821600000000, -0.0000395300000000 ] - [ -0.0000860800000000, -0.0004775200000000, -0.0000556400000000 ] - [ 0.0000757200000000, -0.0004787000000000, 0.0000662200000000 ] - [ 0.0000770600000000, -0.0004718200000000, 0.0000561200000000 ] - [ -0.0000708900000000, -0.0000478500000000, 0.0004761400000000 ] - [ -0.0000492100000000, -0.0000653000000000, 0.0004661700000000 ] - [ -0.0011164600000000, 0.0001012500000000, 0.0035217900000000 ] - [ -0.0000392900000000, 0.0000845900000000, 0.0004567500000000 ] - [ -0.0000444900000000, -0.0008123100000000, -0.0004894700000000 ] - [ 0.0000009600000000, 0.0003495500000000, -0.0002699500000000 ] - [ -0.0000987400000000, -0.0004791900000000, 0.0000439700000000 ] - [ -0.0000997900000000, -0.0004889900000000, 0.0000494800000000 ] - [ 0.0021165000000000, -0.0005866900000000, 0.0007730900000000 ] - [ 0.0000421400000000, 0.0000836400000000, 0.0004577600000000 ] - [ 0.0000732800000000, 0.0004826400000000, -0.0000772000000000 ] - [ 0.0000752300000000, 0.0004727800000000, -0.0000562000000000 ] - [ -0.0001058400000000, 0.0000389900000000, -0.0000280700000000 ] - [ -0.0000329300000000, -0.0000035600000000, -0.0000014200000000 ] - [ 0.0000446500000000, 0.0000022500000000, 0.0005382600000000 ] - [ -0.0000005400000000, -0.0002778400000000, 0.0003363100000000 ] - [ -0.0000257500000000, 0.0000047400000000, 0.0000051600000000 ] - [ -0.0000801400000000, -0.0000003900000000, -0.0000033800000000 ] - [ -0.0001247000000000, 0.0014829200000000, -0.0010331300000000 ] - [ -0.0000001100000000, 0.0003533700000000, 0.0002638500000000 ] - [ 0.0001121100000000, -0.0004718500000000, -0.0000434900000000 ] - [ 0.0001109800000000, -0.0005058900000000, -0.0000522600000000 ] - [ 0.0000819600000000, 0.0000235600000000, -0.0004797300000000 ] - [ 0.0000720500000000, 0.0001082800000000, -0.0004408600000000 ] - [ 0.0004193600000000, 0.0001520700000000, 0.0004853700000000 ] - [ 0.0000663300000000, -0.0000669300000000, 0.0004606900000000 ] - [ -0.0011121600000000, 0.0018243900000000, 0.0017971400000000 ] - [ -0.0000496700000000, -0.0000642700000000, -0.0004619100000000 ] - [ -0.0000400800000000, 0.0000909200000000, -0.0004460800000000 ] - [ -0.0000375400000000, 0.0000934300000000, -0.0004487200000000 ] - [ 0.0000955100000000, 0.0004820300000000, 0.0000441000000000 ] - [ 0.0000978000000000, 0.0004902900000000, 0.0000560200000000 ] - [ -0.0000978100000000, 0.0004799500000000, -0.0000504300000000 ] - [ -0.0000955400000000, 0.0004847500000000, -0.0000513100000000 ] - [ -0.0000281300000000, -0.0000384400000000, -0.0000173700000000 ] - [ -0.0001324500000000, 0.0001136300000000, 0.0000215200000000 ] - [ 0.0021072500000000, 0.0005722100000000, -0.0006488700000000 ] - [ 0.0000520900000000, -0.0000627900000000, -0.0004659000000000 ] - [ 0.0000389900000000, 0.0000348500000000, 0.0000148100000000 ] - [ 0.0000924500000000, -0.0000140300000000, 0.0000008400000000 ] - [ 0.0000949800000000, -0.0005889300000000, 0.0001274800000000 ] - [ -0.0000003000000000, -0.0002760400000000, -0.0003380000000000 ] - [ -0.0000224400000000, 0.0004808900000000, 0.0001145600000000 ] - [ -0.0000899900000000, 0.0004824500000000, 0.0000515900000000 ] - [ -0.0000726800000000, -0.0004850600000000, -0.0000706200000000 ] - [ -0.0000716900000000, -0.0004614000000000, -0.0000425300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006970600000000, 0.0000206800000000, 0.0000121700000000 ] - [ 0.0006467100000000, -0.0000171200000000, 0.0000019200000000 ] - [ 0.0000129100000000, 0.0001846100000000, 0.0000352500000000 ] - [ -0.0000008800000000, 0.0001212200000000, 0.0000770800000000 ] - [ 0.0000454700000000, -0.0001828100000000, -0.0001262000000000 ] - [ 0.0000000600000000, -0.0001757900000000, -0.0000697800000000 ] - [ 0.0000299700000000, -0.0001120600000000, 0.0000976100000000 ] - [ 0.0000012300000000, -0.0001829000000000, 0.0000695800000000 ] - [ 0.0000183300000000, 0.0000675400000000, -0.0000875100000000 ] - [ 0.0000132300000000, 0.0000799800000000, -0.0000801600000000 ] - [ -0.0009762900000000, 0.0014119900000000, -0.0000304600000000 ] - [ -0.0006379000000000, -0.0000288300000000, -0.0000011700000000 ] - [ -0.0000088700000000, -0.0000551600000000, -0.0001084800000000 ] - [ -0.0000002600000000, -0.0001114600000000, -0.0000987100000000 ] - [ 0.0000203700000000, -0.0000933900000000, 0.0000425100000000 ] - [ -0.0000046400000000, -0.0001112700000000, 0.0000960400000000 ] - [ 0.0000157700000000, 0.0001691500000000, -0.0000456500000000 ] - [ -0.0000022000000000, 0.0001293600000000, -0.0000740600000000 ] - [ -0.0004679300000000, 0.0145636400000000, 0.0121975700000000 ] - [ 0.0006398800000000, -0.0000226900000000, -0.0000043200000000 ] - [ 0.0000611300000000, 0.0001857100000000, 0.0001258900000000 ] - [ -0.0000007600000000, 0.0000719600000000, 0.0000747100000000 ] - [ -0.0003022900000000, 0.0000095100000000, -0.0000338900000000 ] - [ -0.0006485300000000, -0.0000161800000000, 0.0000020000000000 ] - [ 0.0006585400000000, -0.0000776300000000, 0.0000564400000000 ] - [ 0.0005796400000000, -0.0000151900000000, -0.0000293400000000 ] - [ -0.0000492200000000, 0.0002482800000000, 0.0000776900000000 ] - [ -0.0000038500000000, 0.0000946300000000, 0.0000855200000000 ] - [ -0.0002036200000000, -0.0002128200000000, -0.0000680200000000 ] - [ 0.0000032600000000, -0.0001825700000000, -0.0000599000000000 ] - [ 0.0130083800000000, 0.0115002000000000, -0.0139649100000000 ] - [ -0.0000021200000000, -0.0002061900000000, 0.0000607400000000 ] - [ -0.0227635700000000, 0.0295803600000000, 0.0128907000000000 ] - [ 0.0000020000000000, 0.0000619500000000, -0.0000629800000000 ] - [ -0.0006408000000000, -0.0000334500000000, 0.0000038900000000 ] - [ -0.0006778900000000, 0.0000091000000000, 0.0000059300000000 ] - [ 0.0000318400000000, -0.0001640600000000, -0.0002066400000000 ] - [ 0.0000137600000000, -0.0001327900000000, -0.0001083500000000 ] - [ 0.0012769400000000, 0.0004904900000000, -0.0005481100000000 ] - [ -0.0000028700000000, -0.0001230000000000, 0.0001157300000000 ] - [ -0.0021434800000000, 0.0011797400000000, 0.0022976500000000 ] - [ 0.0000013400000000, 0.0001066700000000, -0.0000808500000000 ] - [ 0.0005758700000000, -0.0000027600000000, -0.0000156600000000 ] - [ 0.0008119600000000, -0.0000161900000000, 0.0000022800000000 ] - [ 0.0000332500000000, -0.0000770900000000, -0.0002140100000000 ] - [ -0.0000507900000000, 0.0000490500000000, 0.0000428400000000 ] - [ -0.0006766400000000, -0.0000157500000000, 0.0000233900000000 ] - [ -0.0005725300000000, -0.0000228100000000, 0.0000485500000000 ] - [ 0.0126391800000000, -0.0600552900000000, -0.0142712700000000 ] - [ 0.0000800800000000, -0.0004751200000000, 0.0000560900000000 ] - [ -0.0000552800000000, -0.0000641400000000, 0.0004636200000000 ] - [ -0.0000440600000000, -0.0000624200000000, 0.0004645400000000 ] - [ -0.0000501000000000, 0.0000605800000000, 0.0004653400000000 ] - [ -0.0000384900000000, 0.0000824700000000, 0.0004572300000000 ] - [ 0.0000015300000000, 0.0002595400000000, -0.0003692600000000 ] - [ -0.0000001200000000, 0.0003447000000000, -0.0002706100000000 ] - [ -0.0002855000000000, -0.0021579400000000, -0.0002400200000000 ] - [ -0.0000799100000000, -0.0004743700000000, 0.0000576500000000 ] - [ 0.0000357900000000, 0.0000845900000000, 0.0004467500000000 ] - [ 0.0000400500000000, 0.0000776300000000, 0.0004557800000000 ] - [ -0.0007543900000000, -0.0001216800000000, 0.0021137300000000 ] - [ 0.0000881500000000, 0.0004874500000000, -0.0000482300000000 ] - [ -0.0002484200000000, -0.0001849300000000, 0.0000255500000000 ] - [ -0.0000550500000000, 0.0000079800000000, 0.0000007400000000 ] - [ 0.0000022300000000, -0.0003200900000000, 0.0003047000000000 ] - [ 0.0000006200000000, -0.0002816700000000, 0.0003223200000000 ] - [ -0.0003111800000000, 0.0000165300000000, -0.0000104800000000 ] - [ -0.0000433000000000, 0.0000119000000000, -0.0000011700000000 ] - [ -0.0000003100000000, 0.0003172500000000, 0.0002950400000000 ] - [ 0.0000001100000000, 0.0003370400000000, 0.0002786200000000 ] - [ 0.0000738600000000, -0.0004801900000000, -0.0000577900000000 ] - [ 0.0000808300000000, -0.0004757000000000, -0.0000549200000000 ] - [ 0.0000301200000000, 0.0000657900000000, -0.0004495700000000 ] - [ 0.0000387000000000, 0.0000785400000000, -0.0004577900000000 ] - [ 0.0000186300000000, -0.0001058300000000, 0.0004593900000000 ] - [ 0.0000447700000000, -0.0000607600000000, 0.0004631900000000 ] - [ -0.0000303000000000, -0.0000615900000000, -0.0004540200000000 ] - [ -0.0000482200000000, -0.0000669200000000, -0.0004602200000000 ] - [ -0.0000607300000000, 0.0000654900000000, -0.0004623600000000 ] - [ -0.0000387900000000, 0.0000793600000000, -0.0004561000000000 ] - [ 0.0000639600000000, 0.0004683000000000, 0.0000729300000000 ] - [ 0.0000860200000000, 0.0004846000000000, 0.0000471600000000 ] - [ -0.0003457800000000, -0.0001122200000000, 0.0002984700000000 ] - [ -0.0000879300000000, 0.0004865900000000, -0.0000470000000000 ] - [ 0.0011934300000000, -0.0002759900000000, 0.0004732300000000 ] - [ 0.0000534800000000, 0.0000067400000000, 0.0000009000000000 ] - [ 0.0000424200000000, -0.0000656200000000, -0.0004614700000000 ] - [ 0.0000352900000000, -0.0000666800000000, -0.0004648200000000 ] - [ -0.0000132900000000, -0.0000247200000000, 0.0000174600000000 ] - [ 0.0000456100000000, 0.0000117200000000, -0.0000008300000000 ] - [ 0.0000021900000000, -0.0003754100000000, -0.0002469500000000 ] - [ -0.0000000500000000, -0.0002788400000000, -0.0003279700000000 ] - [ -0.0000932600000000, 0.0004634700000000, 0.0000767100000000 ] - [ -0.0000855600000000, 0.0004839000000000, 0.0000495900000000 ] - [ -0.0000891000000000, -0.0005250400000000, 0.0000126900000000 ] - [ -0.0000807700000000, -0.0004751400000000, -0.0000539700000000 ] - [ 0.0000760300000000, -0.0004766800000000, 0.0000602400000000 ] - [ 0.0000830800000000, -0.0004761200000000, 0.0000558700000000 ] - [ -0.0000572400000000, -0.0000740500000000, 0.0004573200000000 ] - [ -0.0000481300000000, -0.0000570900000000, 0.0004695600000000 ] - [ 0.0021873800000000, -0.0010434400000000, -0.0019220700000000 ] - [ -0.0000345900000000, 0.0000858800000000, 0.0004547700000000 ] - [ 0.0014313200000000, 0.0021604900000000, -0.0009367600000000 ] - [ 0.0000016700000000, 0.0003655100000000, -0.0002507100000000 ] - [ -0.0000931500000000, -0.0004804100000000, 0.0000404100000000 ] - [ -0.0000836300000000, -0.0004799800000000, 0.0000551900000000 ] - [ 0.0002352000000000, -0.0012358400000000, -0.0004157700000000 ] - [ 0.0000358600000000, 0.0000856900000000, 0.0004553800000000 ] - [ 0.0000867900000000, 0.0004864800000000, -0.0000501400000000 ] - [ 0.0000767900000000, 0.0004761300000000, -0.0000498500000000 ] - [ -0.0000449600000000, 0.0000011200000000, -0.0000077300000000 ] - [ -0.0000191200000000, 0.0000034900000000, -0.0000043300000000 ] - [ 0.0000905700000000, -0.0000333500000000, 0.0004130000000000 ] - [ 0.0000000000000000, -0.0002614300000000, 0.0003354600000000 ] - [ -0.0000317000000000, 0.0000031400000000, -0.0000042100000000 ] - [ -0.0001023600000000, -0.0000026500000000, -0.0000052100000000 ] - [ -0.0012676600000000, 0.0021301200000000, -0.0014134300000000 ] - [ 0.0000003200000000, 0.0003591200000000, 0.0002532000000000 ] - [ 0.0001129800000000, -0.0004636800000000, -0.0000235200000000 ] - [ 0.0000749200000000, -0.0004628000000000, -0.0000563200000000 ] - [ 0.0000420200000000, 0.0000814400000000, -0.0004771600000000 ] - [ 0.0000402700000000, 0.0001144100000000, -0.0004535800000000 ] - [ 0.0000487800000000, 0.0007806700000000, 0.0014795100000000 ] - [ 0.0000591200000000, -0.0000497500000000, 0.0004636000000000 ] - [ -0.0030812500000000, 0.0007870900000000, 0.0019481900000000 ] - [ -0.0000501000000000, -0.0000549400000000, -0.0004653300000000 ] - [ -0.0000267200000000, 0.0000966500000000, -0.0004607200000000 ] - [ -0.0000333800000000, 0.0000797700000000, -0.0004539600000000 ] - [ 0.0000855800000000, 0.0004850100000000, 0.0000507700000000 ] - [ 0.0000957100000000, 0.0004948500000000, 0.0000547500000000 ] - [ -0.0000849300000000, 0.0004812200000000, -0.0000528900000000 ] - [ -0.0000882200000000, 0.0004814900000000, -0.0000491500000000 ] - [ 0.0001058700000000, 0.0000164100000000, 0.0000049000000000 ] - [ -0.0001112900000000, 0.0001070200000000, 0.0000221800000000 ] - [ 0.0003518000000000, 0.0011793800000000, 0.0004384400000000 ] - [ 0.0000489000000000, -0.0000566100000000, -0.0004656000000000 ] - [ 0.0000335400000000, 0.0000029900000000, 0.0000002400000000 ] - [ 0.0001216100000000, -0.0000144000000000, 0.0000052400000000 ] - [ -0.0000574200000000, -0.0004616700000000, -0.0000908600000000 ] - [ 0.0000001800000000, -0.0002541100000000, -0.0003540200000000 ] - [ -0.0000853100000000, 0.0004850500000000, 0.0000581600000000 ] - [ -0.0000876700000000, 0.0004846500000000, 0.0000474100000000 ] - [ -0.0000677500000000, -0.0004777200000000, -0.0000528000000000 ] - [ -0.0000878100000000, -0.0004763100000000, -0.0000448200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005868000000000, -0.0000227000000000, -0.0000127400000000 ] - [ 0.0006371700000000, 0.0000190800000000, -0.0000013800000000 ] - [ -0.0000123000000000, 0.0001101900000000, 0.0001124600000000 ] - [ -0.0000009800000000, 0.0001891600000000, 0.0000671200000000 ] - [ -0.0000457500000000, -0.0001184800000000, -0.0000186400000000 ] - [ -0.0000012800000000, -0.0001237200000000, -0.0000734700000000 ] - [ -0.0000308800000000, -0.0002003200000000, 0.0000454300000000 ] - [ -0.0000013500000000, -0.0001223700000000, 0.0000749500000000 ] - [ -0.0000191000000000, 0.0001143700000000, -0.0000830100000000 ] - [ -0.0000145800000000, 0.0001044400000000, -0.0000943300000000 ] - [ -0.0003335700000000, -0.0014108700000000, 0.0000371200000000 ] - [ -0.0006481400000000, 0.0000301000000000, 0.0000016000000000 ] - [ 0.0000090500000000, -0.0001291400000000, -0.0000609900000000 ] - [ -0.0000020500000000, -0.0000696600000000, -0.0000760500000000 ] - [ -0.0000208200000000, -0.0000917800000000, 0.0001330100000000 ] - [ 0.0000050400000000, -0.0000711400000000, 0.0000745000000000 ] - [ -0.0000162900000000, 0.0001320700000000, -0.0000997000000000 ] - [ 0.0000016800000000, 0.0001797200000000, -0.0000685900000000 ] - [ 0.0017791400000000, -0.0145087100000000, -0.0120393000000000 ] - [ 0.0006508200000000, 0.0000238200000000, 0.0000043600000000 ] - [ -0.0000621300000000, -0.0000088400000000, 0.0000432000000000 ] - [ -0.0000008600000000, 0.0001179000000000, 0.0001050800000000 ] - [ -0.0009881000000000, -0.0000111700000000, 0.0000345600000000 ] - [ -0.0006396300000000, 0.0000181600000000, -0.0000013000000000 ] - [ 0.0006265200000000, 0.0000855300000000, -0.0000572900000000 ] - [ 0.0007070700000000, 0.0000161600000000, 0.0000281100000000 ] - [ 0.0000556400000000, 0.0000517900000000, 0.0000722200000000 ] - [ 0.0000046800000000, 0.0002136700000000, 0.0000572300000000 ] - [ 0.0002080400000000, -0.0000799500000000, -0.0000852900000000 ] - [ -0.0000027500000000, -0.0001238400000000, -0.0000850800000000 ] - [ -0.0131812400000000, -0.0118806500000000, 0.0143015600000000 ] - [ 0.0000029300000000, -0.0000970700000000, 0.0000824900000000 ] - [ 0.0217497400000000, -0.0284723400000000, -0.0126167400000000 ] - [ -0.0000011200000000, 0.0001245300000000, -0.0001147600000000 ] - [ -0.0006461600000000, 0.0000341400000000, -0.0000035000000000 ] - [ -0.0006116300000000, -0.0000085400000000, -0.0000055600000000 ] - [ -0.0000329700000000, -0.0000159300000000, 0.0000426000000000 ] - [ -0.0000128300000000, -0.0000532200000000, -0.0000648000000000 ] - [ -0.0012914400000000, -0.0006871200000000, 0.0007295100000000 ] - [ 0.0000043800000000, -0.0000592600000000, 0.0000575800000000 ] - [ 0.0021054400000000, -0.0008819900000000, -0.0024252100000000 ] - [ 0.0000001400000000, 0.0002035200000000, -0.0000605900000000 ] - [ 0.0007132900000000, 0.0000021300000000, 0.0000159800000000 ] - [ 0.0004732500000000, 0.0000160100000000, -0.0000020100000000 ] - [ -0.0000315400000000, 0.0002646700000000, 0.0003864600000000 ] - [ 0.0000507100000000, 0.0001320800000000, 0.0001223000000000 ] - [ -0.0006080100000000, 0.0000149300000000, -0.0000222800000000 ] - [ -0.0007147000000000, 0.0000225300000000, -0.0000487400000000 ] - [ -0.0111365900000000, 0.0582002600000000, 0.0135355000000000 ] - [ 0.0000870300000000, -0.0004845000000000, 0.0000450900000000 ] - [ -0.0000325600000000, -0.0000762800000000, 0.0004591300000000 ] - [ -0.0000351700000000, -0.0000795900000000, 0.0004575100000000 ] - [ -0.0000320300000000, 0.0000771800000000, 0.0004575300000000 ] - [ -0.0000463500000000, 0.0000604100000000, 0.0004637900000000 ] - [ -0.0000014900000000, 0.0003621400000000, -0.0002224700000000 ] - [ -0.0000001600000000, 0.0002744300000000, -0.0003302100000000 ] - [ 0.0001403000000000, 0.0011888800000000, 0.0003417600000000 ] - [ -0.0000883600000000, -0.0004859000000000, 0.0000456500000000 ] - [ 0.0000477500000000, 0.0000529300000000, 0.0004726600000000 ] - [ 0.0000455900000000, 0.0000631100000000, 0.0004626100000000 ] - [ 0.0009238400000000, 0.0010745900000000, -0.0022058500000000 ] - [ 0.0000775300000000, 0.0004738200000000, -0.0000566700000000 ] - [ 0.0001557200000000, 0.0001827300000000, -0.0000239600000000 ] - [ -0.0000474400000000, -0.0000067600000000, -0.0000008900000000 ] - [ -0.0000015700000000, -0.0003011400000000, 0.0002910800000000 ] - [ -0.0000015200000000, -0.0003371700000000, 0.0002717900000000 ] - [ 0.0002202300000000, -0.0000160900000000, 0.0000039700000000 ] - [ -0.0000541800000000, -0.0000104900000000, 0.0000017300000000 ] - [ 0.0000012900000000, 0.0003046900000000, 0.0003021700000000 ] - [ -0.0000006800000000, 0.0002806100000000, 0.0003227400000000 ] - [ 0.0000961500000000, -0.0004804100000000, -0.0000484500000000 ] - [ 0.0000863000000000, -0.0004842900000000, -0.0000457700000000 ] - [ 0.0000556600000000, 0.0000758900000000, -0.0004714000000000 ] - [ 0.0000459000000000, 0.0000581800000000, -0.0004663900000000 ] - [ 0.0000700200000000, -0.0000339600000000, 0.0004594900000000 ] - [ 0.0000354200000000, -0.0000789300000000, 0.0004559400000000 ] - [ -0.0000559100000000, -0.0000805400000000, -0.0004633700000000 ] - [ -0.0000346900000000, -0.0000715300000000, -0.0004587500000000 ] - [ -0.0000250500000000, 0.0000759700000000, -0.0004552900000000 ] - [ -0.0000460200000000, 0.0000588900000000, -0.0004648000000000 ] - [ 0.0001081700000000, 0.0004920900000000, 0.0000280400000000 ] - [ 0.0000795200000000, 0.0004768300000000, 0.0000527500000000 ] - [ 0.0001741300000000, 0.0010711000000000, -0.0003981700000000 ] - [ -0.0000789400000000, 0.0004752900000000, -0.0000547300000000 ] - [ -0.0010955000000000, 0.0002673700000000, -0.0004767600000000 ] - [ 0.0000434800000000, -0.0000057100000000, -0.0000010700000000 ] - [ 0.0000432700000000, -0.0000750300000000, -0.0004598400000000 ] - [ 0.0000478300000000, -0.0000706100000000, -0.0004573900000000 ] - [ 0.0001094600000000, 0.0000242500000000, -0.0000173800000000 ] - [ 0.0000565700000000, -0.0000102200000000, 0.0000016500000000 ] - [ -0.0000021800000000, -0.0002403700000000, -0.0003563700000000 ] - [ -0.0000000100000000, -0.0003456100000000, -0.0002683900000000 ] - [ -0.0000784900000000, 0.0004963300000000, 0.0000264300000000 ] - [ -0.0000794300000000, 0.0004761400000000, 0.0000546600000000 ] - [ -0.0000816700000000, -0.0004344800000000, -0.0001167300000000 ] - [ -0.0000861300000000, -0.0004839100000000, -0.0000450000000000 ] - [ 0.0000930300000000, -0.0004854200000000, 0.0000378800000000 ] - [ 0.0000868900000000, -0.0004854500000000, 0.0000449900000000 ] - [ -0.0000265300000000, -0.0000675900000000, 0.0004661500000000 ] - [ -0.0000380400000000, -0.0000832300000000, 0.0004517200000000 ] - [ -0.0022563800000000, 0.0011962200000000, 0.0028249100000000 ] - [ -0.0000504100000000, 0.0000538500000000, 0.0004678700000000 ] - [ -0.0014691800000000, -0.0015810200000000, 0.0003585500000000 ] - [ -0.0000011800000000, 0.0002548500000000, -0.0003486400000000 ] - [ -0.0000742100000000, -0.0004813600000000, 0.0000617500000000 ] - [ -0.0000858900000000, -0.0004808700000000, 0.0000503900000000 ] - [ -0.0001653300000000, 0.0013830900000000, 0.0013312200000000 ] - [ 0.0000484000000000, 0.0000547700000000, 0.0004643700000000 ] - [ 0.0000824000000000, 0.0004739100000000, -0.0000550300000000 ] - [ 0.0000910400000000, 0.0004853800000000, -0.0000527800000000 ] - [ -0.0000471700000000, -0.0000026300000000, 0.0000085400000000 ] - [ -0.0000808600000000, -0.0000040500000000, 0.0000044000000000 ] - [ -0.0000897200000000, -0.0005884700000000, 0.0001856200000000 ] - [ 0.0000005200000000, -0.0003626700000000, 0.0002625000000000 ] - [ -0.0000700500000000, -0.0000038900000000, 0.0000040400000000 ] - [ 0.0000058500000000, 0.0000024700000000, 0.0000046500000000 ] - [ 0.0012453300000000, -0.0015147200000000, 0.0019980500000000 ] - [ 0.0000006400000000, 0.0002614300000000, 0.0003489000000000 ] - [ 0.0000598500000000, -0.0004979700000000, -0.0000806000000000 ] - [ 0.0000923800000000, -0.0004967200000000, -0.0000482200000000 ] - [ 0.0000437600000000, 0.0000588300000000, -0.0004426100000000 ] - [ 0.0000403600000000, 0.0000264500000000, -0.0004690600000000 ] - [ 0.0000304100000000, -0.0009472100000000, -0.0005864200000000 ] - [ 0.0000281500000000, -0.0000906600000000, 0.0004547100000000 ] - [ 0.0029387000000000, -0.0009022000000000, -0.0028355900000000 ] - [ -0.0000340700000000, -0.0000846300000000, -0.0004531800000000 ] - [ -0.0000601300000000, 0.0000435100000000, -0.0004560200000000 ] - [ -0.0000489400000000, 0.0000623500000000, -0.0004651500000000 ] - [ 0.0000826400000000, 0.0004744000000000, 0.0000502800000000 ] - [ 0.0000754400000000, 0.0004660800000000, 0.0000491200000000 ] - [ -0.0000834800000000, 0.0004780400000000, -0.0000520400000000 ] - [ -0.0000786700000000, 0.0004799000000000, -0.0000520500000000 ] - [ -0.0000141100000000, -0.0000166900000000, -0.0000042700000000 ] - [ 0.0002175200000000, -0.0001068900000000, -0.0000214800000000 ] - [ -0.0002789500000000, -0.0012831800000000, -0.0013312700000000 ] - [ 0.0000331400000000, -0.0000846600000000, -0.0004558700000000 ] - [ 0.0000683800000000, -0.0000046000000000, -0.0000003200000000 ] - [ -0.0000252700000000, 0.0000148600000000, -0.0000056200000000 ] - [ 0.0000564200000000, -0.0001522700000000, -0.0005215900000000 ] - [ 0.0000007400000000, -0.0003667000000000, -0.0002442500000000 ] - [ -0.0000844700000000, 0.0004747000000000, 0.0000440900000000 ] - [ -0.0000836200000000, 0.0004759300000000, 0.0000587400000000 ] - [ -0.0001041000000000, -0.0004845600000000, -0.0000493600000000 ] - [ -0.0000795800000000, -0.0004831600000000, -0.0000576600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007040300000000, 0.0000096800000000, -0.0000053200000000 ] - [ 0.0006416900000000, -0.0000146800000000, 0.0000000700000000 ] - [ 0.0000078300000000, 0.0001241000000000, 0.0000179400000000 ] - [ 0.0000029700000000, 0.0001281300000000, 0.0000714800000000 ] - [ 0.0001110300000000, -0.0002222400000000, -0.0002132400000000 ] - [ 0.0000006000000000, -0.0001781600000000, -0.0000700200000000 ] - [ 0.0000157600000000, -0.0001456500000000, 0.0001029500000000 ] - [ 0.0000013800000000, -0.0001798200000000, 0.0000747400000000 ] - [ 0.0000764700000000, 0.0000575200000000, -0.0001221800000000 ] - [ 0.0000113600000000, 0.0000872800000000, -0.0000801800000000 ] - [ -0.0016704100000000, 0.0000225800000000, 0.0012998700000000 ] - [ -0.0006458300000000, -0.0000181500000000, -0.0000039300000000 ] - [ -0.0000044500000000, -0.0000256500000000, -0.0000909700000000 ] - [ 0.0000008400000000, -0.0001129600000000, -0.0001029900000000 ] - [ 0.0000060600000000, -0.0001031300000000, 0.0000602400000000 ] - [ 0.0000044600000000, -0.0000854400000000, 0.0000911100000000 ] - [ 0.0000856500000000, 0.0002062700000000, 0.0000252100000000 ] - [ 0.0000009900000000, 0.0001314100000000, -0.0000715900000000 ] - [ -0.0016607900000000, 0.0128288800000000, 0.0450554500000000 ] - [ 0.0006460600000000, -0.0000230900000000, -0.0000043100000000 ] - [ 0.0001154500000000, 0.0002501500000000, 0.0001258300000000 ] - [ 0.0000033000000000, 0.0000744200000000, 0.0000795900000000 ] - [ -0.0006557400000000, 0.0000481800000000, -0.0001594900000000 ] - [ -0.0006389700000000, -0.0000172900000000, -0.0000008100000000 ] - [ 0.0006772200000000, -0.0004950100000000, 0.0000302700000000 ] - [ 0.0005774600000000, -0.0001418800000000, -0.0000082300000000 ] - [ -0.0003183600000000, 0.0005127300000000, -0.0001922100000000 ] - [ 0.0000018800000000, 0.0001419700000000, 0.0000687400000000 ] - [ 0.0002346200000000, 0.0001480500000000, -0.0002972200000000 ] - [ -0.0000216700000000, -0.0001204500000000, -0.0000562200000000 ] - [ -0.0207692400000000, -0.0097360200000000, 0.0288792200000000 ] - [ -0.0000007700000000, -0.0001889900000000, 0.0000658900000000 ] - [ -0.0068537200000000, 0.0080227600000000, 0.0090461500000000 ] - [ -0.0000045400000000, 0.0000678100000000, -0.0000591000000000 ] - [ -0.0005526200000000, -0.0000829300000000, 0.0000276000000000 ] - [ -0.0006615700000000, -0.0000122600000000, 0.0000126600000000 ] - [ 0.0000541800000000, -0.0002011400000000, -0.0002798000000000 ] - [ -0.0000302800000000, -0.0000371900000000, -0.0000669600000000 ] - [ -0.0017993800000000, 0.0016979300000000, 0.0030074700000000 ] - [ -0.0000022400000000, -0.0001194000000000, 0.0001127500000000 ] - [ -0.0005332400000000, 0.0002286700000000, 0.0025683300000000 ] - [ -0.0000049900000000, 0.0001176000000000, -0.0000777300000000 ] - [ 0.0006925500000000, 0.0000320200000000, -0.0000077000000000 ] - [ 0.0006919900000000, -0.0000216900000000, 0.0000057100000000 ] - [ -0.0000760800000000, -0.0003676800000000, 0.0000652800000000 ] - [ -0.0000243900000000, 0.0000810300000000, 0.0000652900000000 ] - [ -0.0006247000000000, -0.0000272100000000, -0.0000568900000000 ] - [ -0.0006193700000000, -0.0000455700000000, 0.0000196500000000 ] - [ 0.0333118500000000, -0.0146437900000000, -0.0941443800000000 ] - [ 0.0000841800000000, -0.0004759000000000, 0.0000525600000000 ] - [ -0.0000543300000000, -0.0000474000000000, 0.0004706800000000 ] - [ -0.0000489100000000, -0.0000600300000000, 0.0004671500000000 ] - [ -0.0000420200000000, 0.0000715400000000, 0.0004594300000000 ] - [ -0.0000543200000000, 0.0000792600000000, 0.0004571000000000 ] - [ -0.0000106700000000, 0.0002911300000000, -0.0003527000000000 ] - [ 0.0000009300000000, 0.0003332300000000, -0.0002794800000000 ] - [ -0.0006861300000000, -0.0007721000000000, -0.0022368300000000 ] - [ -0.0000829200000000, -0.0004753300000000, 0.0000543800000000 ] - [ 0.0000354600000000, 0.0000789500000000, 0.0004471600000000 ] - [ 0.0000342900000000, 0.0000720400000000, 0.0004583200000000 ] - [ -0.0021123500000000, 0.0026742800000000, 0.0042120600000000 ] - [ 0.0000902700000000, 0.0004851100000000, -0.0000456900000000 ] - [ -0.0004924100000000, 0.0000163000000000, -0.0001198300000000 ] - [ -0.0000462400000000, 0.0000050600000000, 0.0000009500000000 ] - [ -0.0000097300000000, -0.0003515800000000, 0.0002864100000000 ] - [ 0.0000003000000000, -0.0002837100000000, 0.0003248200000000 ] - [ -0.0003054600000000, -0.0002013100000000, 0.0008700800000000 ] - [ -0.0000533000000000, 0.0000106800000000, -0.0000016300000000 ] - [ -0.0000125400000000, 0.0002879500000000, 0.0003180400000000 ] - [ 0.0000001300000000, 0.0003357500000000, 0.0002789400000000 ] - [ 0.0000850000000000, -0.0004773800000000, -0.0000390300000000 ] - [ 0.0000829600000000, -0.0004772800000000, -0.0000535400000000 ] - [ 0.0000363700000000, 0.0000730600000000, -0.0004384700000000 ] - [ 0.0000388700000000, 0.0000786300000000, -0.0004590200000000 ] - [ 0.0000292800000000, -0.0000954600000000, 0.0004725800000000 ] - [ 0.0000472700000000, -0.0000609500000000, 0.0004639000000000 ] - [ -0.0000587300000000, -0.0000125100000000, -0.0004773400000000 ] - [ -0.0000471900000000, -0.0000622300000000, -0.0004626600000000 ] - [ -0.0000537300000000, 0.0000576500000000, -0.0004701100000000 ] - [ -0.0000401100000000, 0.0000788000000000, -0.0004576000000000 ] - [ 0.0000654300000000, 0.0004595600000000, 0.0000781800000000 ] - [ 0.0000862800000000, 0.0004834300000000, 0.0000474600000000 ] - [ -0.0007626600000000, 0.0008299800000000, 0.0002000300000000 ] - [ -0.0000884900000000, 0.0004847900000000, -0.0000477700000000 ] - [ 0.0030312200000000, 0.0004306200000000, 0.0007940200000000 ] - [ 0.0000483100000000, 0.0000063700000000, 0.0000010200000000 ] - [ 0.0000318600000000, -0.0000852000000000, -0.0004445900000000 ] - [ 0.0000426600000000, -0.0000636800000000, -0.0004653100000000 ] - [ -0.0000321300000000, -0.0000092400000000, 0.0000304700000000 ] - [ 0.0000497700000000, 0.0000086800000000, -0.0000010100000000 ] - [ 0.0000006100000000, -0.0003343900000000, -0.0002818200000000 ] - [ 0.0000004900000000, -0.0002869400000000, -0.0003190900000000 ] - [ -0.0000892300000000, 0.0004567600000000, 0.0001002200000000 ] - [ -0.0000879000000000, 0.0004831800000000, 0.0000478000000000 ] - [ -0.0001066200000000, -0.0005457900000000, 0.0000921900000000 ] - [ -0.0000842300000000, -0.0004777100000000, -0.0000517300000000 ] - [ 0.0000840100000000, -0.0004775900000000, 0.0000523000000000 ] - [ 0.0000759900000000, -0.0004713400000000, 0.0000516700000000 ] - [ -0.0000754700000000, -0.0000213800000000, 0.0004650900000000 ] - [ -0.0000509700000000, -0.0000581100000000, 0.0004696000000000 ] - [ -0.0019601200000000, 0.0002472600000000, 0.0013485300000000 ] - [ -0.0000375600000000, 0.0000820700000000, 0.0004578200000000 ] - [ 0.0000910400000000, -0.0000111500000000, -0.0011021000000000 ] - [ -0.0000004600000000, 0.0003489300000000, -0.0002695600000000 ] - [ -0.0000934900000000, -0.0004803900000000, 0.0000404200000000 ] - [ -0.0000988900000000, -0.0004924000000000, 0.0000431800000000 ] - [ 0.0007188500000000, -0.0019839700000000, 0.0017152800000000 ] - [ 0.0000389700000000, 0.0000819900000000, 0.0004569200000000 ] - [ 0.0000660900000000, 0.0004850700000000, -0.0000795000000000 ] - [ 0.0000853900000000, 0.0004830900000000, -0.0000509100000000 ] - [ -0.0001236200000000, 0.0000399800000000, -0.0000404800000000 ] - [ -0.0000312100000000, -0.0000015500000000, -0.0000099400000000 ] - [ -0.0000231600000000, 0.0002022800000000, 0.0005501000000000 ] - [ -0.0000015800000000, -0.0002699600000000, 0.0003272500000000 ] - [ -0.0000239200000000, 0.0000091800000000, 0.0000011500000000 ] - [ -0.0000735300000000, 0.0000041800000000, -0.0000043300000000 ] - [ 0.0013012100000000, -0.0019145000000000, 0.0008027700000000 ] - [ 0.0000000200000000, 0.0003601200000000, 0.0002488200000000 ] - [ 0.0000915600000000, -0.0004784000000000, -0.0000567800000000 ] - [ 0.0000998100000000, -0.0005096500000000, -0.0000550000000000 ] - [ 0.0000149000000000, 0.0001901900000000, -0.0004294300000000 ] - [ 0.0000918300000000, 0.0001626800000000, -0.0004388300000000 ] - [ 0.0002756000000000, 0.0014186800000000, 0.0013285500000000 ] - [ 0.0000452800000000, -0.0000487400000000, 0.0004678700000000 ] - [ 0.0000156800000000, -0.0002820600000000, -0.0015682900000000 ] - [ -0.0000490500000000, -0.0000584400000000, -0.0004633800000000 ] - [ -0.0000262900000000, 0.0000839700000000, -0.0004379400000000 ] - [ -0.0000303600000000, 0.0000812900000000, -0.0004476100000000 ] - [ 0.0000975000000000, 0.0004819100000000, 0.0000484200000000 ] - [ 0.0000883600000000, 0.0004794000000000, 0.0000659000000000 ] - [ -0.0000923900000000, 0.0004801500000000, -0.0000511700000000 ] - [ -0.0000892500000000, 0.0004839100000000, -0.0000503800000000 ] - [ -0.0000051000000000, -0.0000433200000000, -0.0000167300000000 ] - [ 0.0000013300000000, 0.0000227100000000, 0.0000045500000000 ] - [ 0.0006933100000000, 0.0019582000000000, -0.0017751700000000 ] - [ 0.0000511500000000, -0.0000569900000000, -0.0004676500000000 ] - [ 0.0000314400000000, 0.0000336500000000, 0.0000138700000000 ] - [ 0.0000640200000000, 0.0000136600000000, -0.0000007600000000 ] - [ 0.0000954700000000, -0.0009706000000000, 0.0003226700000000 ] - [ -0.0000008900000000, -0.0002672100000000, -0.0003455300000000 ] - [ -0.0000294800000000, 0.0004749900000000, 0.0000951900000000 ] - [ -0.0000945000000000, 0.0004883900000000, 0.0000661500000000 ] - [ -0.0001002400000000, -0.0004890600000000, -0.0000360200000000 ] - [ -0.0000711600000000, -0.0004795200000000, -0.0000353100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005837000000000, -0.0000093200000000, 0.0000041500000000 ] - [ 0.0006441700000000, 0.0000140100000000, -0.0000009600000000 ] - [ -0.0000051700000000, 0.0001768500000000, 0.0001295900000000 ] - [ -0.0000040600000000, 0.0001775500000000, 0.0000713900000000 ] - [ -0.0001105800000000, -0.0000760600000000, 0.0000706300000000 ] - [ -0.0000009900000000, -0.0001249700000000, -0.0000742900000000 ] - [ -0.0000144600000000, -0.0001645700000000, 0.0000376200000000 ] - [ -0.0000035200000000, -0.0001274800000000, 0.0000685700000000 ] - [ -0.0000777400000000, 0.0001250900000000, -0.0000538300000000 ] - [ -0.0000108200000000, 0.0000981000000000, -0.0000963600000000 ] - [ 0.0003389200000000, -0.0000169200000000, -0.0012907800000000 ] - [ -0.0006426200000000, 0.0000178100000000, 0.0000045200000000 ] - [ 0.0000068400000000, -0.0001589900000000, -0.0000783700000000 ] - [ -0.0000022900000000, -0.0000731700000000, -0.0000751300000000 ] - [ -0.0000038000000000, -0.0000798900000000, 0.0001173200000000 ] - [ -0.0000056000000000, -0.0000974700000000, 0.0000819400000000 ] - [ -0.0000864600000000, 0.0000972700000000, -0.0001684200000000 ] - [ 0.0000002200000000, 0.0001788200000000, -0.0000701100000000 ] - [ 0.0030682100000000, -0.0118950000000000, -0.0425340700000000 ] - [ 0.0006462400000000, 0.0000227800000000, 0.0000044600000000 ] - [ -0.0001161500000000, -0.0000718100000000, 0.0000427300000000 ] - [ -0.0000040300000000, 0.0001124000000000, 0.0000981400000000 ] - [ -0.0006439600000000, -0.0000488800000000, 0.0001627700000000 ] - [ -0.0006491300000000, 0.0000166200000000, -0.0000000600000000 ] - [ 0.0006090000000000, 0.0005099000000000, -0.0000277300000000 ] - [ 0.0007111500000000, 0.0001408400000000, 0.0000069500000000 ] - [ 0.0003257100000000, -0.0002092100000000, 0.0003445900000000 ] - [ -0.0000008800000000, 0.0001645300000000, 0.0000751600000000 ] - [ -0.0002393500000000, -0.0004635200000000, 0.0001589500000000 ] - [ 0.0000225000000000, -0.0001867900000000, -0.0000871400000000 ] - [ 0.0201104700000000, 0.0090600100000000, -0.0282684600000000 ] - [ 0.0000015700000000, -0.0001143400000000, 0.0000780500000000 ] - [ 0.0070394700000000, -0.0079886800000000, -0.0094247500000000 ] - [ 0.0000054100000000, 0.0001182800000000, -0.0001201400000000 ] - [ -0.0007337800000000, 0.0000819000000000, -0.0000267200000000 ] - [ -0.0006250400000000, 0.0000149000000000, -0.0000136000000000 ] - [ -0.0000515300000000, 0.0000204100000000, 0.0001194200000000 ] - [ 0.0000297900000000, -0.0001491000000000, -0.0001048000000000 ] - [ 0.0017670100000000, -0.0018519200000000, -0.0027858300000000 ] - [ 0.0000037500000000, -0.0000665200000000, 0.0000640500000000 ] - [ 0.0005238400000000, 0.0001014500000000, -0.0026746300000000 ] - [ 0.0000064200000000, 0.0001886500000000, -0.0000641700000000 ] - [ 0.0005929600000000, -0.0000320400000000, 0.0000080300000000 ] - [ 0.0005942400000000, 0.0000227600000000, -0.0000061400000000 ] - [ 0.0000830300000000, 0.0005579900000000, 0.0000992500000000 ] - [ 0.0000263900000000, 0.0000992800000000, 0.0000984500000000 ] - [ -0.0006621800000000, 0.0000290900000000, 0.0000585200000000 ] - [ -0.0006676400000000, 0.0000455300000000, -0.0000199900000000 ] - [ -0.0326410900000000, 0.0131719000000000, 0.0913183400000000 ] - [ 0.0000860700000000, -0.0004836700000000, 0.0000485700000000 ] - [ -0.0000361600000000, -0.0000943700000000, 0.0004520000000000 ] - [ -0.0000349700000000, -0.0000804600000000, 0.0004562100000000 ] - [ -0.0000449800000000, 0.0000656700000000, 0.0004651800000000 ] - [ -0.0000341100000000, 0.0000646800000000, 0.0004641000000000 ] - [ 0.0000106300000000, 0.0003306400000000, -0.0002406600000000 ] - [ -0.0000011400000000, 0.0002872000000000, -0.0003201100000000 ] - [ 0.0005143500000000, -0.0001871300000000, 0.0023295800000000 ] - [ -0.0000883400000000, -0.0004848500000000, 0.0000487800000000 ] - [ 0.0000513400000000, 0.0000588900000000, 0.0004729400000000 ] - [ 0.0000545800000000, 0.0000682300000000, 0.0004608100000000 ] - [ 0.0022298300000000, -0.0016500900000000, -0.0041728800000000 ] - [ 0.0000783600000000, 0.0004756300000000, -0.0000587800000000 ] - [ 0.0004012100000000, -0.0000174900000000, 0.0001187600000000 ] - [ -0.0000543300000000, -0.0000044300000000, -0.0000007400000000 ] - [ 0.0000097800000000, -0.0002701800000000, 0.0003091900000000 ] - [ -0.0000007900000000, -0.0003368000000000, 0.0002723300000000 ] - [ 0.0002346200000000, 0.0002075400000000, -0.0009011500000000 ] - [ -0.0000428000000000, -0.0000100600000000, 0.0000017200000000 ] - [ 0.0000131900000000, 0.0003315600000000, 0.0002829200000000 ] - [ -0.0000003400000000, 0.0002832700000000, 0.0003243100000000 ] - [ 0.0000883200000000, -0.0004838800000000, -0.0000673000000000 ] - [ 0.0000867300000000, -0.0004836300000000, -0.0000476800000000 ] - [ 0.0000528800000000, 0.0000685700000000, -0.0004837000000000 ] - [ 0.0000466400000000, 0.0000603400000000, -0.0004651900000000 ] - [ 0.0000615100000000, -0.0000454700000000, 0.0004457700000000 ] - [ 0.0000373000000000, -0.0000779800000000, 0.0004561900000000 ] - [ -0.0000305800000000, -0.0001304400000000, -0.0004415500000000 ] - [ -0.0000383700000000, -0.0000773100000000, -0.0004563400000000 ] - [ -0.0000361400000000, 0.0000831600000000, -0.0004483700000000 ] - [ -0.0000457800000000, 0.0000611200000000, -0.0004635600000000 ] - [ 0.0001092800000000, 0.0005013200000000, 0.0000239000000000 ] - [ 0.0000815100000000, 0.0004774200000000, 0.0000523800000000 ] - [ 0.0005925000000000, 0.0001301000000000, -0.0002997500000000 ] - [ -0.0000813600000000, 0.0004765300000000, -0.0000535200000000 ] - [ -0.0029530700000000, -0.0004471000000000, -0.0008477500000000 ] - [ 0.0000473100000000, -0.0000057000000000, -0.0000008900000000 ] - [ 0.0000566800000000, -0.0000554000000000, -0.0004773800000000 ] - [ 0.0000421900000000, -0.0000758900000000, -0.0004563700000000 ] - [ 0.0001232500000000, 0.0000091700000000, -0.0000308800000000 ] - [ 0.0000494300000000, -0.0000080500000000, 0.0000014200000000 ] - [ -0.0000004000000000, -0.0002829400000000, -0.0003227800000000 ] - [ -0.0000005700000000, -0.0003351200000000, -0.0002809400000000 ] - [ -0.0000860100000000, 0.0005044900000000, 0.0000033900000000 ] - [ -0.0000798400000000, 0.0004766500000000, 0.0000560400000000 ] - [ -0.0000677700000000, -0.0004140000000000, -0.0002003800000000 ] - [ -0.0000854800000000, -0.0004825000000000, -0.0000473400000000 ] - [ 0.0000867200000000, -0.0004846100000000, 0.0000471300000000 ] - [ 0.0000965000000000, -0.0004904200000000, 0.0000491800000000 ] - [ -0.0000105900000000, -0.0001214700000000, 0.0004585200000000 ] - [ -0.0000395700000000, -0.0000817000000000, 0.0004515400000000 ] - [ 0.0018334200000000, -0.0001064300000000, -0.0003892100000000 ] - [ -0.0000498200000000, 0.0000585200000000, 0.0004661500000000 ] - [ -0.0000837100000000, 0.0006469200000000, 0.0005019800000000 ] - [ 0.0000008700000000, 0.0002719800000000, -0.0003256800000000 ] - [ -0.0000767500000000, -0.0004820700000000, 0.0000616900000000 ] - [ -0.0000734800000000, -0.0004682800000000, 0.0000638600000000 ] - [ -0.0006254200000000, 0.0020870000000000, -0.0007558900000000 ] - [ 0.0000478100000000, 0.0000593500000000, 0.0004641900000000 ] - [ 0.0001058000000000, 0.0004763200000000, -0.0000255500000000 ] - [ 0.0000838700000000, 0.0004789000000000, -0.0000531000000000 ] - [ 0.0000309000000000, -0.0000395800000000, 0.0000411700000000 ] - [ -0.0000678900000000, 0.0000006100000000, 0.0000100000000000 ] - [ 0.0000231200000000, -0.0008265700000000, 0.0000431400000000 ] - [ 0.0000020500000000, -0.0003513900000000, 0.0002708800000000 ] - [ -0.0000745500000000, -0.0000099000000000, -0.0000014800000000 ] - [ -0.0000227100000000, -0.0000050000000000, 0.0000044200000000 ] - [ -0.0013181000000000, 0.0025753400000000, -0.0002070800000000 ] - [ 0.0000007300000000, 0.0002601000000000, 0.0003550800000000 ] - [ 0.0000830200000000, -0.0004835700000000, -0.0000500300000000 ] - [ 0.0000698800000000, -0.0004500200000000, -0.0000499200000000 ] - [ 0.0000741900000000, -0.0000470300000000, -0.0004902200000000 ] - [ -0.0000082900000000, -0.0000237700000000, -0.0004844200000000 ] - [ -0.0001951200000000, -0.0016012200000000, -0.0004281400000000 ] - [ 0.0000457500000000, -0.0000913700000000, 0.0004502300000000 ] - [ -0.0000815700000000, 0.0001253700000000, 0.0006363300000000 ] - [ -0.0000383700000000, -0.0000809500000000, -0.0004565900000000 ] - [ -0.0000641100000000, 0.0000567300000000, -0.0004789600000000 ] - [ -0.0000555900000000, 0.0000605400000000, -0.0004717200000000 ] - [ 0.0000740000000000, 0.0004783900000000, 0.0000519800000000 ] - [ 0.0000865500000000, 0.0004831800000000, 0.0000376200000000 ] - [ -0.0000792400000000, 0.0004796400000000, -0.0000541100000000 ] - [ -0.0000803600000000, 0.0004784800000000, -0.0000508400000000 ] - [ 0.0000982600000000, 0.0000434200000000, 0.0000170000000000 ] - [ 0.0001015500000000, -0.0000241000000000, -0.0000041400000000 ] - [ -0.0005966700000000, -0.0020829200000000, 0.0008276200000000 ] - [ 0.0000345100000000, -0.0000840100000000, -0.0004553600000000 ] - [ 0.0000674100000000, -0.0000355300000000, -0.0000142300000000 ] - [ 0.0000323800000000, -0.0000139700000000, 0.0000010000000000 ] - [ -0.0000952900000000, 0.0003565200000000, -0.0009364700000000 ] - [ 0.0000016900000000, -0.0003522500000000, -0.0002572600000000 ] - [ -0.0001434000000000, 0.0004848700000000, 0.0000074900000000 ] - [ -0.0000810900000000, 0.0004742400000000, 0.0000391300000000 ] - [ -0.0000744500000000, -0.0004730400000000, -0.0000672200000000 ] - [ -0.0000991100000000, -0.0004805000000000, -0.0000672900000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023073700000000, -0.0035641100000000, -0.0013078500000000 ] - [ 0.0006390700000000, 0.0000226000000000, -0.0000039300000000 ] - [ 0.0339007100000000, -0.0108743100000000, -0.0204983700000000 ] - [ 0.0000004500000000, 0.0002101000000000, 0.0000581500000000 ] - [ 0.0014729400000000, -0.0008397200000000, 0.0001518000000000 ] - [ 0.0000025000000000, -0.0000693400000000, -0.0001003300000000 ] - [ 0.0001307200000000, -0.0003895100000000, 0.0003311600000000 ] - [ -0.0000006200000000, -0.0000818800000000, 0.0000940300000000 ] - [ 0.0000660500000000, 0.0001240000000000, -0.0001902900000000 ] - [ 0.0002370800000000, 0.0002727400000000, -0.0000435100000000 ] - [ -0.0008703500000000, -0.0000219100000000, -0.0000145500000000 ] - [ -0.0006455400000000, 0.0000181000000000, 0.0000022000000000 ] - [ 0.0014504600000000, -0.0004827900000000, -0.0006188700000000 ] - [ 0.0000075400000000, -0.0000594000000000, -0.0000704000000000 ] - [ 0.0000901900000000, -0.0001757900000000, 0.0000981700000000 ] - [ 0.0000383000000000, -0.0000672500000000, 0.0000410000000000 ] - [ 0.0000545200000000, 0.0002779500000000, -0.0000975900000000 ] - [ -0.0000227100000000, 0.0001594400000000, -0.0000981200000000 ] - [ 0.0005884900000000, -0.0000386900000000, 0.0000125600000000 ] - [ 0.0006491000000000, 0.0000197900000000, 0.0000020100000000 ] - [ 0.0347062900000000, -0.0219113700000000, 0.0091526300000000 ] - [ 0.0000031000000000, 0.0001275000000000, 0.0001273100000000 ] - [ 0.0056245800000000, 0.0031562500000000, 0.0009271900000000 ] - [ -0.0006412800000000, 0.0000292000000000, -0.0000011600000000 ] - [ 0.0006433600000000, -0.0000265400000000, -0.0000187200000000 ] - [ 0.0002660300000000, -0.0000532400000000, 0.0000164100000000 ] - [ -0.0000596500000000, 0.0001360900000000, 0.0000766600000000 ] - [ 0.0000061800000000, 0.0001765100000000, 0.0000604600000000 ] - [ -0.0000432800000000, -0.0001978700000000, -0.0000617900000000 ] - [ 0.0000005800000000, -0.0001207400000000, -0.0000727200000000 ] - [ -0.0000639000000000, -0.0001510700000000, 0.0000655800000000 ] - [ -0.0000024600000000, -0.0001199200000000, 0.0000766400000000 ] - [ -0.0000672700000000, 0.0000179900000000, -0.0000665000000000 ] - [ -0.0000016600000000, 0.0001165000000000, -0.0000975300000000 ] - [ -0.0005981700000000, -0.0000082900000000, -0.0000282500000000 ] - [ -0.0006963000000000, 0.0001096000000000, 0.0003015100000000 ] - [ -0.0000470900000000, -0.0000970700000000, -0.0001216000000000 ] - [ -0.0000107200000000, -0.0000758500000000, -0.0000792100000000 ] - [ -0.0000492500000000, -0.0000815500000000, 0.0000803100000000 ] - [ -0.0000023100000000, -0.0000678700000000, 0.0000678900000000 ] - [ -0.0000757000000000, 0.0000756800000000, -0.0000374300000000 ] - [ -0.0000001600000000, 0.0001877100000000, -0.0000684800000000 ] - [ 0.0005728200000000, 0.0000813000000000, 0.0000133100000000 ] - [ 0.0006379100000000, -0.0000411400000000, 0.0000291200000000 ] - [ -0.0000628500000000, 0.0000958300000000, 0.0000944800000000 ] - [ -0.0000139800000000, 0.0001066000000000, 0.0001017500000000 ] - [ -0.0007164200000000, 0.0000410100000000, 0.0000089000000000 ] - [ -0.0006318900000000, -0.0000343200000000, -0.0000085500000000 ] - [ 0.0001038900000000, -0.0004919500000000, 0.0000432500000000 ] - [ 0.0000882000000000, -0.0004840100000000, 0.0000471400000000 ] - [ -0.0793901800000000, 0.0335664000000000, 0.0126696700000000 ] - [ -0.0000341100000000, -0.0000885600000000, 0.0004559300000000 ] - [ -0.0000692000000000, 0.0000755200000000, 0.0004705600000000 ] - [ -0.0000604900000000, 0.0000507700000000, 0.0004672300000000 ] - [ 0.0000430100000000, 0.0005310200000000, 0.0008527800000000 ] - [ -0.0000000300000000, 0.0002433800000000, -0.0003626000000000 ] - [ -0.0000521000000000, -0.0004551400000000, 0.0000704000000000 ] - [ -0.0000876400000000, -0.0004843400000000, 0.0000491900000000 ] - [ 0.0000065500000000, 0.0000999000000000, 0.0004354500000000 ] - [ 0.0000449500000000, 0.0000452800000000, 0.0004690400000000 ] - [ 0.0001092400000000, 0.0004969500000000, -0.0000451300000000 ] - [ 0.0000805700000000, 0.0004762800000000, -0.0000574300000000 ] - [ 0.0001916100000000, 0.0000075500000000, -0.0000731900000000 ] - [ -0.0000465200000000, -0.0000114300000000, -0.0000018100000000 ] - [ -0.0000451400000000, -0.0005366300000000, -0.0000176700000000 ] - [ -0.0000003700000000, -0.0003534900000000, 0.0002667900000000 ] - [ 0.0014717900000000, 0.0032301700000000, 0.0011942600000000 ] - [ -0.0000513900000000, -0.0000077300000000, 0.0000012500000000 ] - [ -0.0000933900000000, -0.0000048500000000, 0.0005120300000000 ] - [ -0.0000024800000000, 0.0002321300000000, 0.0003234300000000 ] - [ 0.0011487800000000, -0.0035223900000000, -0.0000989800000000 ] - [ 0.0000862400000000, -0.0004872500000000, -0.0000476100000000 ] - [ -0.0000761300000000, -0.0005875400000000, -0.0007198300000000 ] - [ 0.0000484100000000, 0.0000544300000000, -0.0004655700000000 ] - [ 0.0015984600000000, 0.0005452300000000, 0.0006737400000000 ] - [ 0.0000319300000000, -0.0000869500000000, 0.0004537100000000 ] - [ -0.0000516600000000, -0.0000718000000000, -0.0004634000000000 ] - [ -0.0000496300000000, -0.0000597000000000, -0.0004659300000000 ] - [ -0.0017253800000000, 0.0022809100000000, 0.0003949700000000 ] - [ -0.0000512300000000, 0.0000558600000000, -0.0004684300000000 ] - [ 0.0011574500000000, -0.0017645200000000, -0.0018701900000000 ] - [ 0.0000766400000000, 0.0004730900000000, 0.0000572100000000 ] - [ -0.0000606900000000, 0.0004660400000000, -0.0000617600000000 ] - [ -0.0000804400000000, 0.0004765000000000, -0.0000560200000000 ] - [ 0.0001098400000000, 0.0000406200000000, -0.0000348100000000 ] - [ 0.0000435000000000, -0.0000115400000000, -0.0000017100000000 ] - [ 0.0000102500000000, -0.0001300700000000, -0.0004404800000000 ] - [ 0.0000099400000000, -0.0000636900000000, -0.0004834800000000 ] - [ 0.0006184400000000, 0.0002785000000000, 0.0000979900000000 ] - [ 0.0000509400000000, -0.0000062500000000, 0.0000015500000000 ] - [ 0.0001219900000000, 0.0011304400000000, -0.0015762600000000 ] - [ -0.0000003900000000, -0.0003721900000000, -0.0002322700000000 ] - [ -0.0021567300000000, 0.0006818700000000, -0.0006123500000000 ] - [ -0.0000789100000000, 0.0004736800000000, 0.0000583600000000 ] - [ -0.0021453400000000, -0.0007895800000000, 0.0005878000000000 ] - [ -0.0000887400000000, -0.0004862600000000, -0.0000447900000000 ] - [ 0.0001097300000000, -0.0004965900000000, 0.0000179500000000 ] - [ 0.0000866300000000, -0.0004847600000000, 0.0000476800000000 ] - [ -0.0000284600000000, -0.0000910600000000, 0.0004433400000000 ] - [ -0.0000303200000000, -0.0000738900000000, 0.0004593600000000 ] - [ -0.0000184500000000, 0.0000956300000000, 0.0004507100000000 ] - [ -0.0000469000000000, 0.0000599600000000, 0.0004648100000000 ] - [ 0.0000022800000000, 0.0003136100000000, -0.0002998200000000 ] - [ -0.0000006300000000, 0.0002742100000000, -0.0003303400000000 ] - [ -0.0004571200000000, -0.0004914800000000, -0.0001811700000000 ] - [ -0.0001039000000000, -0.0004950000000000, 0.0000554800000000 ] - [ 0.0000604400000000, 0.0000723100000000, 0.0004587800000000 ] - [ 0.0000479200000000, 0.0000596600000000, 0.0004639500000000 ] - [ 0.0000750000000000, 0.0004723600000000, -0.0000689100000000 ] - [ 0.0000762700000000, 0.0004639900000000, -0.0000725400000000 ] - [ -0.0001008100000000, 0.0000015100000000, -0.0000001500000000 ] - [ -0.0000342700000000, -0.0000164200000000, -0.0000189800000000 ] - [ 0.0000013800000000, -0.0002472300000000, 0.0003549400000000 ] - [ 0.0000001300000000, -0.0003427800000000, 0.0002761500000000 ] - [ 0.0000316700000000, -0.0000332800000000, 0.0000007100000000 ] - [ -0.0000567300000000, 0.0000076700000000, 0.0000035900000000 ] - [ 0.0000203400000000, 0.0003807300000000, 0.0002369300000000 ] - [ -0.0000002500000000, 0.0002808700000000, 0.0003273300000000 ] - [ 0.0000898800000000, -0.0004669900000000, -0.0000411100000000 ] - [ 0.0000913900000000, -0.0004855700000000, -0.0000504400000000 ] - [ 0.0000360000000000, 0.0000792400000000, -0.0004751100000000 ] - [ 0.0000506200000000, 0.0000706800000000, -0.0004600600000000 ] - [ 0.0000639100000000, -0.0000616000000000, 0.0004782700000000 ] - [ 0.0000655400000000, -0.0000771300000000, 0.0004518800000000 ] - [ -0.0000330200000000, -0.0000651700000000, -0.0004610900000000 ] - [ -0.0000363500000000, -0.0000818600000000, -0.0004535700000000 ] - [ -0.0000187900000000, 0.0000857800000000, -0.0004384300000000 ] - [ -0.0000368200000000, 0.0000655100000000, -0.0004632500000000 ] - [ 0.0000918800000000, 0.0004745900000000, 0.0000431200000000 ] - [ 0.0001038400000000, 0.0004893500000000, 0.0000558500000000 ] - [ -0.0001107400000000, 0.0004794800000000, -0.0000050200000000 ] - [ -0.0001174400000000, 0.0004793400000000, -0.0000824000000000 ] - [ 0.0000922200000000, -0.0000068900000000, 0.0000021600000000 ] - [ 0.0000210600000000, 0.0000049200000000, -0.0000053200000000 ] - [ 0.0000746700000000, -0.0000195300000000, -0.0004763000000000 ] - [ 0.0000360800000000, -0.0000829100000000, -0.0004550900000000 ] - [ 0.0000652800000000, 0.0000162400000000, -0.0000082200000000 ] - [ 0.0005869800000000, -0.0005207400000000, 0.0000720800000000 ] - [ 0.0000177300000000, -0.0003028800000000, -0.0002990000000000 ] - [ -0.0000017000000000, -0.0003479000000000, -0.0002657800000000 ] - [ -0.0000719400000000, 0.0004767500000000, 0.0000647600000000 ] - [ -0.0000759500000000, 0.0004746300000000, 0.0000628600000000 ] - [ -0.0000721000000000, -0.0004806400000000, -0.0000651300000000 ] - [ -0.0000732700000000, -0.0004722600000000, -0.0000529800000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010053600000000, 0.0035126900000000, 0.0012871500000000 ] - [ 0.0006443200000000, -0.0000256700000000, 0.0000036500000000 ] - [ -0.0328989700000000, 0.0107968300000000, 0.0196673700000000 ] - [ -0.0000027200000000, 0.0000937800000000, 0.0000853500000000 ] - [ -0.0014704400000000, 0.0005022500000000, -0.0002888200000000 ] - [ -0.0000042700000000, -0.0002387700000000, -0.0000425500000000 ] - [ -0.0001368900000000, 0.0000867600000000, -0.0001884900000000 ] - [ -0.0000015300000000, -0.0002263500000000, 0.0000500100000000 ] - [ -0.0000672200000000, 0.0000588800000000, 0.0000182100000000 ] - [ -0.0002444000000000, -0.0000907600000000, -0.0001342400000000 ] - [ -0.0004158700000000, 0.0000240900000000, 0.0000139400000000 ] - [ -0.0006419900000000, -0.0000184300000000, -0.0000020900000000 ] - [ -0.0014488400000000, 0.0002804100000000, 0.0004226300000000 ] - [ -0.0000106800000000, -0.0001287800000000, -0.0001068200000000 ] - [ -0.0000978700000000, -0.0000047900000000, 0.0000718800000000 ] - [ -0.0000393800000000, -0.0001181000000000, 0.0001347500000000 ] - [ -0.0000554100000000, 0.0000240300000000, -0.0000466400000000 ] - [ 0.0000226700000000, 0.0001493000000000, -0.0000425800000000 ] - [ 0.0006995100000000, 0.0000421500000000, -0.0000147100000000 ] - [ 0.0006408300000000, -0.0000202000000000, -0.0000023400000000 ] - [ -0.0336944100000000, 0.0211568500000000, -0.0084885900000000 ] - [ -0.0000051000000000, 0.0000566400000000, 0.0000513000000000 ] - [ -0.0069875200000000, -0.0028855900000000, -0.0008251800000000 ] - [ -0.0006478900000000, -0.0000328800000000, 0.0000005300000000 ] - [ 0.0006428600000000, 0.0000270600000000, 0.0000189100000000 ] - [ 0.0010392000000000, 0.0000507800000000, -0.0000166600000000 ] - [ 0.0000604100000000, 0.0001697500000000, 0.0000674200000000 ] - [ -0.0000058100000000, 0.0001304400000000, 0.0000833100000000 ] - [ 0.0000473800000000, -0.0001064600000000, -0.0000844000000000 ] - [ 0.0000000500000000, -0.0001850100000000, -0.0000703200000000 ] - [ 0.0000653600000000, -0.0001537800000000, 0.0000761000000000 ] - [ 0.0000027200000000, -0.0001842200000000, 0.0000662500000000 ] - [ 0.0000699600000000, 0.0001688600000000, -0.0001086500000000 ] - [ 0.0000017500000000, 0.0000694400000000, -0.0000801800000000 ] - [ -0.0006881200000000, 0.0000073500000000, 0.0000283200000000 ] - [ -0.0005933000000000, -0.0001114800000000, -0.0003083000000000 ] - [ 0.0000499700000000, -0.0000865500000000, -0.0000429700000000 ] - [ 0.0000113500000000, -0.0001087300000000, -0.0000930900000000 ] - [ 0.0000504100000000, -0.0001007600000000, 0.0000917500000000 ] - [ 0.0000032700000000, -0.0001178500000000, 0.0001085800000000 ] - [ 0.0000793600000000, 0.0002319900000000, -0.0001081700000000 ] - [ 0.0000009500000000, 0.0001177100000000, -0.0000741700000000 ] - [ 0.0007135300000000, -0.0000812900000000, -0.0000134300000000 ] - [ 0.0006509500000000, 0.0000412600000000, -0.0000272200000000 ] - [ 0.0000637200000000, 0.0000883700000000, 0.0000797400000000 ] - [ 0.0000162700000000, 0.0000722600000000, 0.0000636400000000 ] - [ -0.0005697300000000, -0.0000411600000000, -0.0000081400000000 ] - [ -0.0006541500000000, 0.0000343000000000, 0.0000088500000000 ] - [ 0.0000656700000000, -0.0004687400000000, 0.0000595800000000 ] - [ 0.0000815800000000, -0.0004747600000000, 0.0000542200000000 ] - [ 0.0773278100000000, -0.0324316000000000, -0.0112749200000000 ] - [ -0.0000504400000000, -0.0000515100000000, 0.0004677100000000 ] - [ -0.0000153800000000, 0.0000638500000000, 0.0004522600000000 ] - [ -0.0000267800000000, 0.0000941300000000, 0.0004538400000000 ] - [ -0.0000598400000000, 0.0000885800000000, -0.0014601600000000 ] - [ -0.0000004200000000, 0.0003781200000000, -0.0002356800000000 ] - [ -0.0001182600000000, -0.0005067800000000, 0.0000339400000000 ] - [ -0.0000833800000000, -0.0004747600000000, 0.0000549300000000 ] - [ 0.0000795300000000, 0.0000380800000000, 0.0004847800000000 ] - [ 0.0000419000000000, 0.0000956300000000, 0.0004499000000000 ] - [ 0.0000609800000000, 0.0004626500000000, -0.0000583300000000 ] - [ 0.0000877300000000, 0.0004840600000000, -0.0000473000000000 ] - [ -0.0002915000000000, -0.0000082600000000, 0.0000732400000000 ] - [ -0.0000530300000000, 0.0000126500000000, 0.0000019900000000 ] - [ 0.0000449100000000, -0.0000817000000000, 0.0006218700000000 ] - [ -0.0000004600000000, -0.0002664400000000, 0.0003318200000000 ] - [ -0.0015969700000000, -0.0033080100000000, -0.0012219600000000 ] - [ -0.0000448600000000, 0.0000084100000000, -0.0000009300000000 ] - [ 0.0000928300000000, 0.0006303800000000, 0.0000855100000000 ] - [ 0.0000020700000000, 0.0003903100000000, 0.0002788500000000 ] - [ -0.0009348200000000, 0.0024952900000000, 0.0000017500000000 ] - [ 0.0000815700000000, -0.0004734700000000, -0.0000547200000000 ] - [ 0.0001642400000000, 0.0007281400000000, -0.0002018700000000 ] - [ 0.0000356400000000, 0.0000851000000000, -0.0004579100000000 ] - [ -0.0014471000000000, -0.0006892700000000, 0.0002443600000000 ] - [ 0.0000527500000000, -0.0000509200000000, 0.0004668800000000 ] - [ -0.0000371200000000, -0.0000701500000000, -0.0004543900000000 ] - [ -0.0000356300000000, -0.0000804400000000, -0.0004530600000000 ] - [ 0.0016337400000000, -0.0020894100000000, -0.0012953800000000 ] - [ -0.0000335600000000, 0.0000857000000000, -0.0004515500000000 ] - [ -0.0009402500000000, 0.0026794900000000, 0.0019211700000000 ] - [ 0.0000912000000000, 0.0004879100000000, 0.0000415500000000 ] - [ -0.0001103700000000, 0.0004933900000000, -0.0000390700000000 ] - [ -0.0000893100000000, 0.0004842300000000, -0.0000462300000000 ] - [ -0.0000099400000000, -0.0000425700000000, 0.0000367600000000 ] - [ 0.0000523400000000, 0.0000127200000000, 0.0000018500000000 ] - [ 0.0000767900000000, -0.0000098000000000, -0.0004817200000000 ] - [ 0.0000755700000000, -0.0000752900000000, -0.0004379300000000 ] - [ -0.0005330600000000, -0.0002787500000000, -0.0000971800000000 ] - [ 0.0000487300000000, 0.0000067900000000, -0.0000009400000000 ] - [ -0.0001342200000000, -0.0017517300000000, 0.0009837600000000 ] - [ 0.0000000100000000, -0.0002472500000000, -0.0003706800000000 ] - [ 0.0019699300000000, 0.0002804600000000, 0.0007292100000000 ] - [ -0.0000893500000000, 0.0004857500000000, 0.0000453900000000 ] - [ 0.0019602600000000, -0.0001610100000000, -0.0006988400000000 ] - [ -0.0000797200000000, -0.0004734400000000, -0.0000564000000000 ] - [ 0.0000611700000000, -0.0004657600000000, 0.0000810100000000 ] - [ 0.0000850200000000, -0.0004766800000000, 0.0000531700000000 ] - [ -0.0000584900000000, -0.0000513800000000, 0.0004806200000000 ] - [ -0.0000607700000000, -0.0000668900000000, 0.0004609800000000 ] - [ -0.0000674900000000, 0.0000436800000000, 0.0004720400000000 ] - [ -0.0000407300000000, 0.0000811200000000, 0.0004591200000000 ] - [ -0.0000030600000000, 0.0003047600000000, -0.0003003100000000 ] - [ 0.0000007700000000, 0.0003468100000000, -0.0002646900000000 ] - [ 0.0002910000000000, -0.0004743000000000, 0.0002864000000000 ] - [ -0.0000683900000000, -0.0004654900000000, 0.0000517100000000 ] - [ 0.0000254200000000, 0.0000677800000000, 0.0004602300000000 ] - [ 0.0000387500000000, 0.0000816100000000, 0.0004573000000000 ] - [ 0.0000954400000000, 0.0004891000000000, -0.0000360500000000 ] - [ 0.0000928300000000, 0.0004970100000000, -0.0000314100000000 ] - [ 0.0000087000000000, -0.0000021600000000, 0.0000004200000000 ] - [ -0.0000616400000000, 0.0000168400000000, 0.0000194600000000 ] - [ -0.0000018900000000, -0.0003751200000000, 0.0002419600000000 ] - [ -0.0000001400000000, -0.0002772200000000, 0.0003244100000000 ] - [ -0.0001296800000000, 0.0000334400000000, -0.0000009600000000 ] - [ -0.0000420400000000, -0.0000095100000000, -0.0000035400000000 ] - [ -0.0000214300000000, 0.0002373700000000, 0.0003674800000000 ] - [ 0.0000006400000000, 0.0003401400000000, 0.0002766200000000 ] - [ 0.0000832300000000, -0.0004947600000000, -0.0000681600000000 ] - [ 0.0000781100000000, -0.0004738500000000, -0.0000554300000000 ] - [ 0.0000525100000000, 0.0000660400000000, -0.0004428500000000 ] - [ 0.0000339600000000, 0.0000723800000000, -0.0004623000000000 ] - [ 0.0000223600000000, -0.0000807300000000, 0.0004415000000000 ] - [ 0.0000242100000000, -0.0000640300000000, 0.0004657000000000 ] - [ -0.0000543500000000, -0.0000752900000000, -0.0004599800000000 ] - [ -0.0000501600000000, -0.0000591300000000, -0.0004659700000000 ] - [ -0.0000726100000000, 0.0000551200000000, -0.0004784200000000 ] - [ -0.0000491100000000, 0.0000769200000000, -0.0004559800000000 ] - [ 0.0000788800000000, 0.0004847500000000, 0.0000592700000000 ] - [ 0.0000696000000000, 0.0004725200000000, 0.0000488300000000 ] - [ -0.0000606800000000, 0.0004803400000000, -0.0000998900000000 ] - [ -0.0000506400000000, 0.0004815100000000, -0.0000184700000000 ] - [ 0.0000001400000000, 0.0000062600000000, -0.0000016100000000 ] - [ 0.0000785600000000, -0.0000050500000000, 0.0000060000000000 ] - [ 0.0000108700000000, -0.0001235700000000, -0.0004471700000000 ] - [ 0.0000484500000000, -0.0000589400000000, -0.0004677900000000 ] - [ 0.0000343200000000, -0.0000160400000000, 0.0000083100000000 ] - [ -0.0005070800000000, 0.0005333200000000, -0.0000739300000000 ] - [ -0.0000189500000000, -0.0003171700000000, -0.0003053300000000 ] - [ 0.0000022600000000, -0.0002703700000000, -0.0003380500000000 ] - [ -0.0000993700000000, 0.0004830500000000, 0.0000395900000000 ] - [ -0.0000998600000000, 0.0004878600000000, 0.0000436800000000 ] - [ -0.0001030800000000, -0.0004817100000000, -0.0000383800000000 ] - [ -0.0000965000000000, -0.0004869600000000, -0.0000499700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003530700000000, 0.0013379200000000, -0.0000149200000000 ] - [ 0.0006375900000000, -0.0000519900000000, 0.0000112700000000 ] - [ -0.0070387900000000, 0.0096660800000000, 0.0080921200000000 ] - [ -0.0000009600000000, 0.0000226600000000, 0.0001050600000000 ] - [ -0.0017621000000000, 0.0028881700000000, 0.0016200200000000 ] - [ -0.0000012800000000, -0.0002970200000000, -0.0000236700000000 ] - [ -0.0001192700000000, -0.0000567900000000, -0.0003828100000000 ] - [ 0.0000071900000000, -0.0002838400000000, 0.0000489500000000 ] - [ -0.0000433200000000, 0.0000342200000000, 0.0001746900000000 ] - [ -0.0002839200000000, -0.0001274500000000, 0.0000001900000000 ] - [ -0.0005486500000000, 0.0000413500000000, 0.0000208400000000 ] - [ -0.0006442500000000, -0.0000405300000000, -0.0000041100000000 ] - [ -0.0005143300000000, 0.0025850600000000, -0.0000027900000000 ] - [ -0.0000057500000000, -0.0001646900000000, -0.0001602200000000 ] - [ 0.0001747300000000, -0.0001957600000000, 0.0003507800000000 ] - [ 0.0000413700000000, -0.0002068000000000, 0.0001708700000000 ] - [ 0.0000256800000000, 0.0000502800000000, -0.0001366600000000 ] - [ -0.0000038400000000, 0.0000696600000000, -0.0000627900000000 ] - [ 0.0007274500000000, 0.0000972900000000, -0.0000448000000000 ] - [ 0.0006485000000000, -0.0000440000000000, -0.0000035600000000 ] - [ -0.0201244000000000, 0.0284806600000000, -0.0090935200000000 ] - [ 0.0000004200000000, 0.0000204000000000, 0.0000208600000000 ] - [ -0.0031112900000000, 0.0426365000000000, 0.0119195700000000 ] - [ -0.0006423100000000, -0.0000596700000000, 0.0000084600000000 ] - [ 0.0004537300000000, -0.0000114900000000, -0.0000029700000000 ] - [ 0.0008436600000000, -0.0001009600000000, 0.0000010400000000 ] - [ 0.0000027600000000, 0.0001849200000000, 0.0000460200000000 ] - [ -0.0000088300000000, 0.0001047200000000, 0.0000766600000000 ] - [ 0.0001225100000000, -0.0000605000000000, -0.0001326200000000 ] - [ 0.0000017400000000, -0.0002220300000000, -0.0000629900000000 ] - [ 0.0000366200000000, -0.0000993300000000, 0.0000702000000000 ] - [ 0.0000029800000000, -0.0002255600000000, 0.0000630800000000 ] - [ 0.0000866600000000, 0.0002022000000000, -0.0001003700000000 ] - [ 0.0000013200000000, 0.0000391400000000, -0.0000539800000000 ] - [ -0.0007550800000000, -0.0000116700000000, -0.0001279200000000 ] - [ -0.0005632700000000, 0.0000330100000000, -0.0005210300000000 ] - [ 0.0000868000000000, -0.0001644600000000, 0.0000027200000000 ] - [ -0.0000054800000000, -0.0001412000000000, -0.0001107800000000 ] - [ 0.0000123200000000, -0.0000309200000000, 0.0000309000000000 ] - [ 0.0000039700000000, -0.0001442500000000, 0.0001160400000000 ] - [ 0.0000621700000000, 0.0002609800000000, -0.0001157300000000 ] - [ 0.0000010700000000, 0.0000787700000000, -0.0000794200000000 ] - [ 0.0007485400000000, -0.0000521900000000, -0.0000288700000000 ] - [ 0.0005773600000000, 0.0000134200000000, -0.0000449300000000 ] - [ 0.0000063900000000, 0.0000747100000000, 0.0001408200000000 ] - [ 0.0000441800000000, 0.0000226000000000, 0.0000727000000000 ] - [ -0.0005459300000000, -0.0000276800000000, -0.0000063800000000 ] - [ -0.0006886300000000, 0.0000202600000000, 0.0000071700000000 ] - [ 0.0000757200000000, -0.0004743900000000, 0.0000735700000000 ] - [ 0.0000763600000000, -0.0004696600000000, 0.0000603000000000 ] - [ 0.0326974800000000, -0.0914920500000000, -0.0132761700000000 ] - [ -0.0000574200000000, -0.0000362300000000, 0.0004742400000000 ] - [ -0.0000469300000000, 0.0000354800000000, 0.0004470700000000 ] - [ -0.0000206900000000, 0.0001006200000000, 0.0004482200000000 ] - [ 0.0000846600000000, -0.0005874800000000, -0.0007108500000000 ] - [ -0.0000008900000000, 0.0004406400000000, -0.0001789300000000 ] - [ -0.0001101800000000, -0.0005160200000000, 0.0000265500000000 ] - [ -0.0000786100000000, -0.0004699800000000, 0.0000593700000000 ] - [ 0.0000739300000000, 0.0000604400000000, 0.0004632700000000 ] - [ 0.0000159300000000, 0.0001102800000000, 0.0004495000000000 ] - [ 0.0000710600000000, 0.0004738600000000, -0.0000648100000000 ] - [ 0.0000894900000000, 0.0004907300000000, -0.0000445300000000 ] - [ -0.0001463400000000, -0.0000386900000000, -0.0000221600000000 ] - [ -0.0000503500000000, 0.0000292100000000, 0.0000038300000000 ] - [ -0.0000219000000000, -0.0001599000000000, 0.0007334900000000 ] - [ -0.0000033400000000, -0.0001751300000000, 0.0004201800000000 ] - [ 0.0029766800000000, 0.0008386700000000, 0.0004762900000000 ] - [ -0.0000506500000000, 0.0000182200000000, -0.0000022000000000 ] - [ 0.0000918200000000, 0.0007301400000000, -0.0002032700000000 ] - [ 0.0000015400000000, 0.0004782100000000, 0.0001819700000000 ] - [ -0.0017672300000000, 0.0003458500000000, 0.0001500200000000 ] - [ 0.0000744100000000, -0.0004641000000000, -0.0000615700000000 ] - [ -0.0006170300000000, 0.0002877900000000, -0.0001189500000000 ] - [ 0.0000276800000000, 0.0001034200000000, -0.0004525400000000 ] - [ -0.0005714600000000, -0.0023773200000000, 0.0001581300000000 ] - [ 0.0000580300000000, -0.0000337900000000, 0.0004713100000000 ] - [ -0.0000335500000000, -0.0000639400000000, -0.0004559600000000 ] - [ -0.0000424400000000, -0.0000632800000000, -0.0004634600000000 ] - [ -0.0021997600000000, 0.0041977700000000, 0.0016699300000000 ] - [ -0.0000274400000000, 0.0001060900000000, -0.0004491200000000 ] - [ 0.0001081900000000, -0.0006364300000000, -0.0001201500000000 ] - [ 0.0000937500000000, 0.0004963200000000, 0.0000374200000000 ] - [ -0.0000990800000000, 0.0004733000000000, -0.0000483600000000 ] - [ -0.0000911700000000, 0.0004917700000000, -0.0000422800000000 ] - [ -0.0000119200000000, -0.0000817000000000, 0.0000418300000000 ] - [ 0.0000436700000000, 0.0000293100000000, 0.0000036000000000 ] - [ 0.0000382000000000, -0.0000410800000000, -0.0004696800000000 ] - [ 0.0001014200000000, -0.0000392100000000, -0.0004512300000000 ] - [ -0.0004007400000000, -0.0001369600000000, 0.0000262300000000 ] - [ 0.0000560900000000, 0.0000168200000000, -0.0000022600000000 ] - [ 0.0013232700000000, 0.0000141200000000, -0.0024027800000000 ] - [ -0.0000008700000000, -0.0001751900000000, -0.0004220900000000 ] - [ 0.0005730800000000, -0.0008209800000000, 0.0020786600000000 ] - [ -0.0000929200000000, 0.0004946900000000, 0.0000400400000000 ] - [ 0.0005640000000000, 0.0007315500000000, -0.0020551900000000 ] - [ -0.0000729300000000, -0.0004642000000000, -0.0000628900000000 ] - [ 0.0000585200000000, -0.0004830600000000, 0.0000991900000000 ] - [ 0.0000761400000000, -0.0004668500000000, 0.0000622700000000 ] - [ -0.0000459100000000, -0.0000575600000000, 0.0004718000000000 ] - [ -0.0000631500000000, -0.0000572200000000, 0.0004607400000000 ] - [ -0.0000658000000000, 0.0000324600000000, 0.0004777900000000 ] - [ -0.0000325100000000, 0.0000943500000000, 0.0004513200000000 ] - [ -0.0000028700000000, 0.0002402400000000, -0.0003549400000000 ] - [ -0.0000000600000000, 0.0003879300000000, -0.0002380100000000 ] - [ 0.0001456600000000, 0.0003940400000000, 0.0015816100000000 ] - [ -0.0000779300000000, -0.0004595500000000, 0.0000742600000000 ] - [ 0.0000441500000000, 0.0000316000000000, 0.0004692400000000 ] - [ 0.0000303200000000, 0.0000960700000000, 0.0004480700000000 ] - [ 0.0001034200000000, 0.0004880600000000, -0.0000419400000000 ] - [ 0.0001012800000000, 0.0005065400000000, -0.0000370300000000 ] - [ 0.0000484700000000, -0.0000006100000000, 0.0000113300000000 ] - [ -0.0001495100000000, 0.0000110800000000, 0.0000340100000000 ] - [ -0.0000063500000000, -0.0003957300000000, 0.0002306500000000 ] - [ 0.0000003300000000, -0.0002325300000000, 0.0003664800000000 ] - [ -0.0001473000000000, 0.0000387000000000, -0.0000020900000000 ] - [ -0.0000215600000000, -0.0000087100000000, 0.0000000500000000 ] - [ -0.0000218200000000, 0.0001918300000000, 0.0003679600000000 ] - [ 0.0000001500000000, 0.0003891100000000, 0.0002297700000000 ] - [ 0.0000538500000000, -0.0004700400000000, -0.0001134000000000 ] - [ 0.0000852100000000, -0.0004766800000000, -0.0000600800000000 ] - [ 0.0000496500000000, 0.0001856600000000, -0.0003999400000000 ] - [ 0.0000387400000000, 0.0000852600000000, -0.0004529200000000 ] - [ 0.0000495600000000, -0.0000562400000000, 0.0004677600000000 ] - [ 0.0000337500000000, -0.0000565700000000, 0.0004687000000000 ] - [ -0.0000360600000000, -0.0000922700000000, -0.0004485800000000 ] - [ -0.0000542200000000, -0.0000445400000000, -0.0004692900000000 ] - [ -0.0000589600000000, 0.0000691900000000, -0.0004756800000000 ] - [ -0.0000340300000000, 0.0000871500000000, -0.0004526700000000 ] - [ 0.0000926100000000, 0.0004901700000000, 0.0000429800000000 ] - [ 0.0000764200000000, 0.0004707600000000, 0.0000485600000000 ] - [ -0.0001194900000000, 0.0005225500000000, 0.0000406600000000 ] - [ -0.0000324600000000, 0.0004913200000000, 0.0000694100000000 ] - [ -0.0000487200000000, 0.0000000000000000, 0.0000025800000000 ] - [ 0.0001528400000000, -0.0000026000000000, 0.0000100700000000 ] - [ -0.0000094800000000, -0.0001612000000000, -0.0004340800000000 ] - [ 0.0000522400000000, -0.0000455000000000, -0.0004706600000000 ] - [ 0.0002476900000000, 0.0000892400000000, -0.0000337800000000 ] - [ -0.0004468500000000, 0.0008264900000000, -0.0001765900000000 ] - [ 0.0000001200000000, -0.0003683700000000, -0.0002247900000000 ] - [ 0.0000022000000000, -0.0002359300000000, -0.0003652700000000 ] - [ -0.0000875900000000, 0.0004859500000000, 0.0000484900000000 ] - [ -0.0000955600000000, 0.0004953000000000, 0.0000429700000000 ] - [ -0.0000976500000000, -0.0004741400000000, -0.0000358700000000 ] - [ -0.0000811000000000, -0.0004769900000000, -0.0000578700000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016821900000000, -0.0013492900000000, 0.0000097400000000 ] - [ 0.0006469400000000, 0.0000520500000000, -0.0000105500000000 ] - [ 0.0068520600000000, -0.0091590400000000, -0.0077953800000000 ] - [ -0.0000002200000000, 0.0002839400000000, 0.0000392800000000 ] - [ 0.0017955800000000, -0.0032417800000000, -0.0017943100000000 ] - [ 0.0000004700000000, -0.0000075200000000, -0.0001182000000000 ] - [ 0.0001097400000000, -0.0002435100000000, 0.0005199800000000 ] - [ -0.0000071700000000, -0.0000225600000000, 0.0000966500000000 ] - [ 0.0000436600000000, 0.0001447800000000, -0.0003425400000000 ] - [ 0.0002751400000000, 0.0003043700000000, -0.0001752700000000 ] - [ -0.0007401400000000, -0.0000393100000000, -0.0000199100000000 ] - [ -0.0006418600000000, 0.0000406900000000, 0.0000042500000000 ] - [ 0.0005249100000000, -0.0028068100000000, -0.0001890300000000 ] - [ 0.0000034400000000, -0.0000195900000000, -0.0000163700000000 ] - [ -0.0001696200000000, 0.0000067300000000, -0.0001637700000000 ] - [ -0.0000417200000000, 0.0000253100000000, 0.0000016900000000 ] - [ -0.0000251700000000, 0.0002466300000000, -0.0000080000000000 ] - [ 0.0000024900000000, 0.0002371700000000, -0.0000789700000000 ] - [ 0.0005597900000000, -0.0000944400000000, 0.0000451300000000 ] - [ 0.0006417100000000, 0.0000438100000000, 0.0000033700000000 ] - [ 0.0207830900000000, -0.0287678100000000, 0.0096341800000000 ] - [ -0.0000015700000000, 0.0001670900000000, 0.0001573900000000 ] - [ 0.0017071000000000, -0.0451635900000000, -0.0128543700000000 ] - [ -0.0006447300000000, 0.0000591700000000, -0.0000078900000000 ] - [ 0.0008349700000000, 0.0000078400000000, 0.0000013400000000 ] - [ 0.0004585400000000, 0.0001014100000000, -0.0000008300000000 ] - [ -0.0000047000000000, 0.0001172100000000, 0.0000968500000000 ] - [ 0.0000090300000000, 0.0002001000000000, 0.0000683400000000 ] - [ -0.0001203600000000, -0.0002372000000000, -0.0000155500000000 ] - [ -0.0000019200000000, -0.0000873400000000, -0.0000799900000000 ] - [ -0.0000385800000000, -0.0002103500000000, 0.0000743400000000 ] - [ -0.0000022000000000, -0.0000797500000000, 0.0000802600000000 ] - [ -0.0000870600000000, -0.0000146800000000, -0.0000705200000000 ] - [ -0.0000006600000000, 0.0001446800000000, -0.0001195200000000 ] - [ -0.0005287900000000, 0.0000098500000000, 0.0001304700000000 ] - [ -0.0007267600000000, -0.0000322300000000, 0.0005063900000000 ] - [ -0.0000858900000000, -0.0000168400000000, -0.0001675700000000 ] - [ 0.0000054400000000, -0.0000452200000000, -0.0000638000000000 ] - [ -0.0000134400000000, -0.0001535000000000, 0.0001429200000000 ] - [ -0.0000024100000000, -0.0000392000000000, 0.0000576100000000 ] - [ -0.0000615100000000, 0.0000498200000000, -0.0000291800000000 ] - [ 0.0000001600000000, 0.0002285600000000, -0.0000620000000000 ] - [ 0.0005411400000000, 0.0000515400000000, 0.0000288800000000 ] - [ 0.0007073900000000, -0.0000117800000000, 0.0000433600000000 ] - [ -0.0000090400000000, 0.0001060200000000, 0.0000334700000000 ] - [ -0.0000423900000000, 0.0001546600000000, 0.0000922300000000 ] - [ -0.0007409800000000, 0.0000263900000000, 0.0000067600000000 ] - [ -0.0006009700000000, -0.0000198900000000, -0.0000072100000000 ] - [ 0.0000939400000000, -0.0004891100000000, 0.0000251500000000 ] - [ 0.0000915000000000, -0.0004902300000000, 0.0000398300000000 ] - [ -0.0332839300000000, 0.0942872200000000, 0.0147107700000000 ] - [ -0.0000231400000000, -0.0001026100000000, 0.0004489300000000 ] - [ -0.0000366000000000, 0.0001001000000000, 0.0004757300000000 ] - [ -0.0000651800000000, 0.0000425800000000, 0.0004727900000000 ] - [ -0.0000927000000000, 0.0012045600000000, 0.0000966900000000 ] - [ 0.0000008200000000, 0.0001823200000000, -0.0004179600000000 ] - [ -0.0000588500000000, -0.0004469000000000, 0.0000754200000000 ] - [ -0.0000909200000000, -0.0004903300000000, 0.0000429700000000 ] - [ 0.0000119500000000, 0.0000743900000000, 0.0004567300000000 ] - [ 0.0000698700000000, 0.0000306800000000, 0.0004687800000000 ] - [ 0.0000973500000000, 0.0004864700000000, -0.0000374500000000 ] - [ 0.0000761300000000, 0.0004715100000000, -0.0000596300000000 ] - [ 0.0000450000000000, 0.0000367400000000, 0.0000244500000000 ] - [ -0.0000527700000000, -0.0000266500000000, -0.0000037000000000 ] - [ 0.0000223800000000, -0.0004591000000000, -0.0001335800000000 ] - [ 0.0000024700000000, -0.0004398300000000, 0.0001765100000000 ] - [ -0.0030521400000000, -0.0007860200000000, -0.0004607800000000 ] - [ -0.0000497500000000, -0.0000159800000000, 0.0000027000000000 ] - [ -0.0000919300000000, -0.0001045500000000, 0.0007976400000000 ] - [ -0.0000019800000000, 0.0001437600000000, 0.0004164300000000 ] - [ 0.0019785400000000, -0.0013439800000000, -0.0002564000000000 ] - [ 0.0000923000000000, -0.0004955200000000, -0.0000384000000000 ] - [ 0.0007011900000000, -0.0001485000000000, -0.0008034100000000 ] - [ 0.0000562100000000, 0.0000333200000000, -0.0004720600000000 ] - [ 0.0006620400000000, 0.0022499900000000, 0.0007588400000000 ] - [ 0.0000229000000000, -0.0001033100000000, 0.0004486000000000 ] - [ -0.0000541600000000, -0.0000745600000000, -0.0004621600000000 ] - [ -0.0000405100000000, -0.0000739000000000, -0.0004560500000000 ] - [ 0.0021682500000000, -0.0041997700000000, -0.0026529600000000 ] - [ -0.0000571700000000, 0.0000318200000000, -0.0004722800000000 ] - [ 0.0000427600000000, 0.0016069100000000, 0.0002362900000000 ] - [ 0.0000719100000000, 0.0004657100000000, 0.0000603200000000 ] - [ -0.0000684000000000, 0.0004855300000000, -0.0000521300000000 ] - [ -0.0000762200000000, 0.0004711300000000, -0.0000587500000000 ] - [ 0.0001167000000000, 0.0000788700000000, -0.0000402400000000 ] - [ 0.0000537600000000, -0.0000269000000000, -0.0000034400000000 ] - [ 0.0000479500000000, -0.0000979000000000, -0.0004518400000000 ] - [ -0.0000165000000000, -0.0000961900000000, -0.0004708200000000 ] - [ 0.0004889100000000, 0.0001368000000000, -0.0000254300000000 ] - [ 0.0000462800000000, -0.0000146000000000, 0.0000030100000000 ] - [ -0.0013063900000000, -0.0006237800000000, 0.0017619300000000 ] - [ 0.0000010100000000, -0.0004441100000000, -0.0001779800000000 ] - [ -0.0007556200000000, 0.0018034600000000, -0.0019921300000000 ] - [ -0.0000726800000000, 0.0004659000000000, 0.0000618400000000 ] - [ -0.0007416700000000, -0.0017325800000000, 0.0019897700000000 ] - [ -0.0000941500000000, -0.0004945700000000, -0.0000350800000000 ] - [ 0.0001105300000000, -0.0004793600000000, -0.0000021200000000 ] - [ 0.0000943000000000, -0.0004943100000000, 0.0000375100000000 ] - [ -0.0000389400000000, -0.0000819500000000, 0.0004522000000000 ] - [ -0.0000248100000000, -0.0000816900000000, 0.0004603200000000 ] - [ -0.0000160700000000, 0.0001059300000000, 0.0004442300000000 ] - [ -0.0000530600000000, 0.0000452700000000, 0.0004712000000000 ] - [ 0.0000023500000000, 0.0003767200000000, -0.0002422200000000 ] - [ 0.0000004800000000, 0.0002342900000000, -0.0003563500000000 ] - [ -0.0003074500000000, -0.0013365400000000, -0.0014402500000000 ] - [ -0.0000928300000000, -0.0005014200000000, 0.0000295600000000 ] - [ 0.0000387800000000, 0.0001061500000000, 0.0004497500000000 ] - [ 0.0000542400000000, 0.0000440000000000, 0.0004715100000000 ] - [ 0.0000650000000000, 0.0004733000000000, -0.0000633400000000 ] - [ 0.0000668000000000, 0.0004558600000000, -0.0000643300000000 ] - [ -0.0001449000000000, 0.0000004000000000, -0.0000109000000000 ] - [ 0.0000465500000000, -0.0000109400000000, -0.0000325700000000 ] - [ 0.0000061100000000, -0.0002282700000000, 0.0003649600000000 ] - [ -0.0000001000000000, -0.0003874100000000, 0.0002351400000000 ] - [ 0.0000466400000000, -0.0000385400000000, 0.0000016600000000 ] - [ -0.0000740500000000, 0.0000079200000000, -0.0000001700000000 ] - [ 0.0000212900000000, 0.0004213400000000, 0.0002339200000000 ] - [ 0.0000004500000000, 0.0002340700000000, 0.0003679400000000 ] - [ 0.0001174200000000, -0.0004911500000000, 0.0000067100000000 ] - [ 0.0000815900000000, -0.0004828300000000, -0.0000437700000000 ] - [ 0.0000371600000000, -0.0000422400000000, -0.0005198800000000 ] - [ 0.0000423000000000, 0.0000572800000000, -0.0004687600000000 ] - [ 0.0000363700000000, -0.0000819400000000, 0.0004535300000000 ] - [ 0.0000536300000000, -0.0000824500000000, 0.0004496100000000 ] - [ -0.0000486100000000, -0.0000467100000000, -0.0004718300000000 ] - [ -0.0000310800000000, -0.0000931700000000, -0.0004491500000000 ] - [ -0.0000294100000000, 0.0000701400000000, -0.0004418500000000 ] - [ -0.0000479800000000, 0.0000547300000000, -0.0004658700000000 ] - [ 0.0000760500000000, 0.0004700100000000, 0.0000569200000000 ] - [ 0.0000947600000000, 0.0004906000000000, 0.0000538700000000 ] - [ -0.0000487900000000, 0.0004372100000000, -0.0001463600000000 ] - [ -0.0001331700000000, 0.0004714200000000, -0.0001663200000000 ] - [ 0.0001418100000000, 0.0000000500000000, -0.0000019800000000 ] - [ -0.0000428700000000, 0.0000023800000000, -0.0000089500000000 ] - [ 0.0000937500000000, 0.0000217900000000, -0.0004894000000000 ] - [ 0.0000305600000000, -0.0000936200000000, -0.0004508100000000 ] - [ -0.0001469300000000, -0.0000895200000000, 0.0000342300000000 ] - [ 0.0005180400000000, -0.0007956700000000, 0.0001695200000000 ] - [ -0.0000001100000000, -0.0002466000000000, -0.0003794600000000 ] - [ -0.0000014200000000, -0.0003810500000000, -0.0002353000000000 ] - [ -0.0000811900000000, 0.0004747400000000, 0.0000539600000000 ] - [ -0.0000771400000000, 0.0004661700000000, 0.0000617300000000 ] - [ -0.0000746600000000, -0.0004875900000000, -0.0000658200000000 ] - [ -0.0000852800000000, -0.0004816200000000, -0.0000439000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003221000000000, -0.0000238600000000, 0.0013743400000000 ] - [ 0.0006521200000000, -0.0000168900000000, -0.0000000800000000 ] - [ -0.0217935300000000, 0.0127700200000000, 0.0286669000000000 ] - [ 0.0000016700000000, 0.0001056700000000, 0.0000819000000000 ] - [ 0.0012929900000000, -0.0007050600000000, 0.0004813400000000 ] - [ -0.0000080200000000, -0.0002072000000000, -0.0000573300000000 ] - [ -0.0000206400000000, -0.0004495100000000, -0.0001363300000000 ] - [ 0.0000027300000000, -0.0002001900000000, 0.0000623600000000 ] - [ -0.0000137800000000, 0.0001123700000000, -0.0000572900000000 ] - [ -0.0000457600000000, 0.0000878500000000, -0.0000789000000000 ] - [ -0.0005538000000000, 0.0000033700000000, -0.0000214400000000 ] - [ -0.0006367700000000, -0.0000159600000000, -0.0000043100000000 ] - [ -0.0020828400000000, 0.0022847200000000, 0.0008954700000000 ] - [ -0.0000113600000000, -0.0001171600000000, -0.0000874200000000 ] - [ -0.0002071400000000, -0.0000172600000000, -0.0000333700000000 ] - [ 0.0000041900000000, -0.0001417200000000, 0.0001125500000000 ] - [ 0.0000499200000000, 0.0000121000000000, -0.0001791200000000 ] - [ -0.0000026300000000, 0.0001516400000000, -0.0000747400000000 ] - [ 0.0006327300000000, 0.0000291100000000, -0.0000015100000000 ] - [ 0.0006316800000000, -0.0000182600000000, -0.0000051500000000 ] - [ 0.0131776400000000, -0.0140982100000000, 0.0117688800000000 ] - [ 0.0000011600000000, 0.0000673300000000, 0.0000671700000000 ] - [ -0.0017759500000000, 0.0121052900000000, 0.0145387900000000 ] - [ -0.0006515600000000, -0.0000319100000000, -0.0000065400000000 ] - [ 0.0005622300000000, -0.0000080000000000, -0.0000084200000000 ] - [ 0.0010763800000000, -0.0000093500000000, -0.0000101100000000 ] - [ -0.0000087000000000, 0.0001600800000000, 0.0000659700000000 ] - [ 0.0000010500000000, 0.0001158800000000, 0.0000852900000000 ] - [ 0.0000572500000000, -0.0001138800000000, -0.0001200900000000 ] - [ 0.0000000800000000, -0.0001807200000000, -0.0000647200000000 ] - [ 0.0000037000000000, -0.0001250800000000, 0.0000528800000000 ] - [ 0.0000009500000000, -0.0001884500000000, 0.0000622500000000 ] - [ 0.0000139900000000, 0.0001164300000000, -0.0001242900000000 ] - [ -0.0000013500000000, 0.0000704000000000, -0.0000737700000000 ] - [ -0.0006766300000000, -0.0000127800000000, -0.0000331300000000 ] - [ -0.0006536100000000, 0.0000440500000000, -0.0000671700000000 ] - [ 0.0000532200000000, -0.0001202500000000, -0.0000103200000000 ] - [ -0.0000008200000000, -0.0001126900000000, -0.0000993300000000 ] - [ 0.0000298400000000, -0.0000942300000000, 0.0000645400000000 ] - [ 0.0000008700000000, -0.0001174200000000, 0.0001165700000000 ] - [ 0.0000424600000000, 0.0002334500000000, -0.0000942600000000 ] - [ -0.0000013800000000, 0.0001177600000000, -0.0000767300000000 ] - [ 0.0006717800000000, 0.0000189300000000, -0.0000181800000000 ] - [ 0.0006505300000000, 0.0000542600000000, -0.0000195200000000 ] - [ -0.0000082200000000, 0.0000861200000000, 0.0001067200000000 ] - [ 0.0000121900000000, 0.0000683300000000, 0.0000544300000000 ] - [ -0.0006172900000000, -0.0000039200000000, 0.0000020800000000 ] - [ -0.0006154100000000, 0.0000259700000000, 0.0000016100000000 ] - [ 0.0000787400000000, -0.0004777300000000, 0.0000605600000000 ] - [ 0.0000826200000000, -0.0004765900000000, 0.0000536200000000 ] - [ 0.0112610700000000, -0.0136448000000000, -0.0583172200000000 ] - [ -0.0000493300000000, -0.0000562900000000, 0.0004677900000000 ] - [ -0.0000349700000000, 0.0000824400000000, 0.0004985200000000 ] - [ -0.0000382000000000, 0.0000835200000000, 0.0004594500000000 ] - [ 0.0014685800000000, -0.0003383200000000, 0.0016064700000000 ] - [ -0.0000001700000000, 0.0003529400000000, -0.0002623200000000 ] - [ -0.0000974600000000, -0.0004808300000000, 0.0000637700000000 ] - [ -0.0000836000000000, -0.0004760900000000, 0.0000552600000000 ] - [ 0.0000686400000000, 0.0000666800000000, 0.0004673100000000 ] - [ 0.0000354100000000, 0.0000794200000000, 0.0004599700000000 ] - [ 0.0000779400000000, 0.0004768900000000, -0.0000619100000000 ] - [ 0.0000888800000000, 0.0004846100000000, -0.0000469500000000 ] - [ -0.0001375700000000, 0.0000164600000000, 0.0001197500000000 ] - [ -0.0000568000000000, 0.0000064300000000, 0.0000011800000000 ] - [ 0.0000889400000000, -0.0001760700000000, 0.0006166500000000 ] - [ 0.0000011700000000, -0.0002996300000000, 0.0003113200000000 ] - [ 0.0010980700000000, 0.0004684700000000, -0.0002441700000000 ] - [ -0.0000388700000000, 0.0000106500000000, -0.0000012100000000 ] - [ -0.0000518200000000, 0.0004346500000000, 0.0002143600000000 ] - [ -0.0000034300000000, 0.0003522700000000, 0.0002920200000000 ] - [ 0.0023174200000000, -0.0028634700000000, -0.0011605400000000 ] - [ 0.0000837000000000, -0.0004747600000000, -0.0000543700000000 ] - [ -0.0002108800000000, 0.0004123000000000, -0.0010544900000000 ] - [ 0.0000387500000000, 0.0000806200000000, -0.0004586700000000 ] - [ -0.0001786200000000, -0.0003706500000000, -0.0012110500000000 ] - [ 0.0000501600000000, -0.0000576500000000, 0.0004643800000000 ] - [ -0.0000387000000000, -0.0000675000000000, -0.0004493000000000 ] - [ -0.0000390500000000, -0.0000729900000000, -0.0004497200000000 ] - [ -0.0008917900000000, 0.0022271100000000, -0.0010620200000000 ] - [ -0.0000344100000000, 0.0000819500000000, -0.0004501800000000 ] - [ -0.0029109200000000, 0.0028369300000000, 0.0009086700000000 ] - [ 0.0000900200000000, 0.0004862700000000, 0.0000446600000000 ] - [ -0.0000922800000000, 0.0004913100000000, -0.0000259700000000 ] - [ -0.0000892000000000, 0.0004842600000000, -0.0000474800000000 ] - [ 0.0000668400000000, -0.0000201700000000, 0.0000073300000000 ] - [ 0.0000581900000000, 0.0000068300000000, 0.0000010300000000 ] - [ 0.0000224600000000, -0.0000804500000000, -0.0004560800000000 ] - [ 0.0000636300000000, -0.0000616800000000, -0.0004553300000000 ] - [ -0.0001524900000000, 0.0000131800000000, -0.0001713500000000 ] - [ 0.0000413200000000, 0.0000075000000000, -0.0000011400000000 ] - [ -0.0012457600000000, -0.0021040300000000, 0.0016073400000000 ] - [ -0.0000002700000000, -0.0002626600000000, -0.0003449200000000 ] - [ 0.0002371800000000, 0.0013370400000000, 0.0012718200000000 ] - [ -0.0000883900000000, 0.0004838300000000, 0.0000465000000000 ] - [ 0.0001029600000000, -0.0013635200000000, -0.0013560000000000 ] - [ -0.0000821400000000, -0.0004760200000000, -0.0000550600000000 ] - [ 0.0000712100000000, -0.0004849500000000, 0.0000542400000000 ] - [ 0.0000819100000000, -0.0004723400000000, 0.0000595000000000 ] - [ -0.0000456700000000, -0.0000709300000000, 0.0004646900000000 ] - [ -0.0000646600000000, -0.0000611100000000, 0.0004624700000000 ] - [ -0.0000549000000000, 0.0000512600000000, 0.0004666700000000 ] - [ -0.0000407800000000, 0.0000806600000000, 0.0004595700000000 ] - [ 0.0000008800000000, 0.0002924700000000, -0.0003166100000000 ] - [ 0.0000026300000000, 0.0003560900000000, -0.0002501300000000 ] - [ -0.0000596800000000, 0.0005652700000000, 0.0009428000000000 ] - [ -0.0000857900000000, -0.0004763300000000, 0.0000620000000000 ] - [ 0.0000448600000000, 0.0000602000000000, 0.0004679400000000 ] - [ 0.0000399000000000, 0.0000806000000000, 0.0004585300000000 ] - [ 0.0000978900000000, 0.0004862700000000, -0.0000408400000000 ] - [ 0.0000979800000000, 0.0004784200000000, -0.0000324500000000 ] - [ -0.0000182000000000, 0.0000008600000000, 0.0000015400000000 ] - [ -0.0000204900000000, 0.0000035200000000, -0.0000126100000000 ] - [ -0.0000017600000000, -0.0003729800000000, 0.0002354800000000 ] - [ -0.0000004400000000, -0.0002763700000000, 0.0003289200000000 ] - [ -0.0000737000000000, 0.0000165200000000, -0.0000071500000000 ] - [ -0.0000824100000000, 0.0000014800000000, -0.0000069600000000 ] - [ 0.0000000400000000, 0.0002417200000000, 0.0003505500000000 ] - [ -0.0000005500000000, 0.0003434600000000, 0.0002728600000000 ] - [ 0.0000709100000000, -0.0004859200000000, -0.0000724200000000 ] - [ 0.0000878300000000, -0.0004796200000000, -0.0000552600000000 ] - [ 0.0000304400000000, 0.0001311900000000, -0.0004283000000000 ] - [ 0.0000450900000000, 0.0000783400000000, -0.0004574900000000 ] - [ 0.0000516600000000, -0.0000610000000000, 0.0004643800000000 ] - [ 0.0000275900000000, -0.0000635300000000, 0.0004628000000000 ] - [ -0.0000432300000000, -0.0000803500000000, -0.0004601100000000 ] - [ -0.0000500500000000, -0.0000602100000000, -0.0004642800000000 ] - [ -0.0000672200000000, 0.0000536300000000, -0.0004673000000000 ] - [ -0.0000409900000000, 0.0000771000000000, -0.0004571200000000 ] - [ 0.0000916200000000, 0.0004836500000000, 0.0000467400000000 ] - [ 0.0000734300000000, 0.0004774700000000, 0.0000485900000000 ] - [ -0.0001079600000000, 0.0004877000000000, -0.0000296000000000 ] - [ -0.0000655200000000, 0.0004636800000000, -0.0000196300000000 ] - [ 0.0000158900000000, -0.0000029200000000, 0.0000007500000000 ] - [ 0.0000442100000000, -0.0000066300000000, 0.0000012100000000 ] - [ 0.0000281500000000, -0.0000992200000000, -0.0004522300000000 ] - [ 0.0000495500000000, -0.0000588300000000, -0.0004668300000000 ] - [ 0.0001412900000000, 0.0000516200000000, -0.0000177300000000 ] - [ -0.0003177000000000, -0.0000597200000000, 0.0000318000000000 ] - [ -0.0000029600000000, -0.0003248600000000, -0.0002815200000000 ] - [ 0.0000024900000000, -0.0002602600000000, -0.0003470600000000 ] - [ -0.0000875800000000, 0.0004834600000000, 0.0000500900000000 ] - [ -0.0001085200000000, 0.0004944400000000, 0.0000402400000000 ] - [ -0.0001074200000000, -0.0004803000000000, -0.0000357100000000 ] - [ -0.0000831100000000, -0.0004765400000000, -0.0000557800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009861800000000, 0.0000187000000000, -0.0013762200000000 ] - [ 0.0006346200000000, 0.0000150500000000, -0.0000003200000000 ] - [ 0.0228075100000000, -0.0129122800000000, -0.0294490400000000 ] - [ -0.0000021500000000, 0.0001975500000000, 0.0000606100000000 ] - [ -0.0012781100000000, 0.0003980800000000, -0.0006158800000000 ] - [ 0.0000082300000000, -0.0001011800000000, -0.0000848700000000 ] - [ 0.0000193800000000, 0.0001401300000000, 0.0002721400000000 ] - [ -0.0000027200000000, -0.0001081000000000, 0.0000809200000000 ] - [ 0.0000130300000000, 0.0000707500000000, -0.0001127200000000 ] - [ 0.0000398900000000, 0.0000927400000000, -0.0000944600000000 ] - [ -0.0007302700000000, -0.0000019400000000, 0.0000218200000000 ] - [ -0.0006502500000000, 0.0000149100000000, 0.0000046400000000 ] - [ 0.0021208000000000, -0.0024832500000000, -0.0010591900000000 ] - [ 0.0000104100000000, -0.0000702500000000, -0.0000873700000000 ] - [ 0.0002034400000000, -0.0001587300000000, 0.0001981600000000 ] - [ -0.0000037000000000, -0.0000420400000000, 0.0000607000000000 ] - [ -0.0000490500000000, 0.0002933600000000, 0.0000369100000000 ] - [ 0.0000041400000000, 0.0001578800000000, -0.0000652700000000 ] - [ 0.0006552600000000, -0.0000268900000000, -0.0000004700000000 ] - [ 0.0006524900000000, 0.0000171600000000, 0.0000047600000000 ] - [ -0.0130041800000000, 0.0140884200000000, -0.0115260000000000 ] - [ -0.0000010600000000, 0.0001161900000000, 0.0001057300000000 ] - [ 0.0004650600000000, -0.0122615000000000, -0.0145943400000000 ] - [ -0.0006357100000000, 0.0000298300000000, 0.0000058500000000 ] - [ 0.0007247100000000, 0.0000080000000000, 0.0000079500000000 ] - [ 0.0002202900000000, 0.0000090800000000, 0.0000096700000000 ] - [ 0.0000084600000000, 0.0001461500000000, 0.0000765600000000 ] - [ -0.0000021900000000, 0.0001921200000000, 0.0000568800000000 ] - [ -0.0000564300000000, -0.0001896500000000, -0.0000238500000000 ] - [ 0.0000000900000000, -0.0001255300000000, -0.0000780400000000 ] - [ -0.0000020600000000, -0.0001793100000000, 0.0000884800000000 ] - [ -0.0000026800000000, -0.0001166300000000, 0.0000802800000000 ] - [ -0.0000114300000000, 0.0000706900000000, -0.0000496600000000 ] - [ -0.0000003600000000, 0.0001139100000000, -0.0001009400000000 ] - [ -0.0006098800000000, 0.0000127600000000, 0.0000334500000000 ] - [ -0.0006329200000000, -0.0000433300000000, 0.0000593200000000 ] - [ -0.0000532000000000, -0.0000629900000000, -0.0001582200000000 ] - [ 0.0000006100000000, -0.0000722100000000, -0.0000746800000000 ] - [ -0.0000286000000000, -0.0000889600000000, 0.0001068500000000 ] - [ -0.0000019300000000, -0.0000687000000000, 0.0000568300000000 ] - [ -0.0000398700000000, 0.0000742500000000, -0.0000504100000000 ] - [ 0.0000004500000000, 0.0001855400000000, -0.0000657500000000 ] - [ 0.0006167800000000, -0.0000190100000000, 0.0000184400000000 ] - [ 0.0006384800000000, -0.0000540700000000, 0.0000203300000000 ] - [ 0.0000080400000000, 0.0000990700000000, 0.0000674900000000 ] - [ -0.0000118600000000, 0.0001134400000000, 0.0001136400000000 ] - [ -0.0006692700000000, 0.0000039500000000, -0.0000020600000000 ] - [ -0.0006731800000000, -0.0000253800000000, -0.0000017500000000 ] - [ 0.0000948800000000, -0.0004824800000000, 0.0000462500000000 ] - [ 0.0000923700000000, -0.0004843300000000, 0.0000497700000000 ] - [ -0.0126890000000000, 0.0143343200000000, 0.0601333800000000 ] - [ -0.0000413400000000, -0.0000864200000000, 0.0004569400000000 ] - [ -0.0000568400000000, 0.0000585700000000, 0.0004255900000000 ] - [ -0.0000550300000000, 0.0000628100000000, 0.0004629100000000 ] - [ -0.0014316900000000, 0.0009463200000000, -0.0021673500000000 ] - [ 0.0000000000000000, 0.0002708400000000, -0.0003392900000000 ] - [ -0.0000770100000000, -0.0004804100000000, 0.0000431500000000 ] - [ -0.0000913100000000, -0.0004842000000000, 0.0000531900000000 ] - [ 0.0000228600000000, 0.0000763300000000, 0.0004538300000000 ] - [ 0.0000583200000000, 0.0000642100000000, 0.0004598300000000 ] - [ 0.0000967700000000, 0.0004835900000000, -0.0000450100000000 ] - [ 0.0000851800000000, 0.0004764000000000, -0.0000592500000000 ] - [ 0.0000436900000000, -0.0000167300000000, -0.0001201300000000 ] - [ -0.0000353400000000, -0.0000063100000000, -0.0000010100000000 ] - [ -0.0000901800000000, -0.0004453900000000, -0.0000115000000000 ] - [ -0.0000012600000000, -0.0003242600000000, 0.0002923100000000 ] - [ -0.0011827400000000, -0.0004632700000000, 0.0002514100000000 ] - [ -0.0000538300000000, -0.0000109100000000, 0.0000009900000000 ] - [ 0.0000523900000000, 0.0001927300000000, 0.0003891000000000 ] - [ 0.0000034500000000, 0.0002725100000000, 0.0003135700000000 ] - [ -0.0021514300000000, 0.0019209800000000, 0.0010401000000000 ] - [ 0.0000894700000000, -0.0004863200000000, -0.0000523900000000 ] - [ 0.0003097700000000, -0.0002689600000000, 0.0001319300000000 ] - [ 0.0000500000000000, 0.0000642600000000, -0.0004650400000000 ] - [ 0.0002512000000000, 0.0002275900000000, 0.0021376100000000 ] - [ 0.0000404100000000, -0.0000848000000000, 0.0004566000000000 ] - [ -0.0000542600000000, -0.0000786200000000, -0.0004692500000000 ] - [ -0.0000512700000000, -0.0000713100000000, -0.0004696100000000 ] - [ 0.0007957300000000, -0.0020914100000000, 0.0001493200000000 ] - [ -0.0000552300000000, 0.0000630100000000, -0.0004706400000000 ] - [ 0.0031453200000000, -0.0019088200000000, -0.0008250100000000 ] - [ 0.0000819500000000, 0.0004737300000000, 0.0000591400000000 ] - [ -0.0000833400000000, 0.0004690900000000, -0.0000775500000000 ] - [ -0.0000851000000000, 0.0004760000000000, -0.0000585900000000 ] - [ 0.0000251500000000, 0.0000194900000000, -0.0000056600000000 ] - [ 0.0000353400000000, -0.0000066700000000, -0.0000008700000000 ] - [ 0.0000698100000000, -0.0000639100000000, -0.0004664800000000 ] - [ 0.0000265500000000, -0.0000830000000000, -0.0004660800000000 ] - [ 0.0002369800000000, -0.0000129300000000, 0.0001721900000000 ] - [ 0.0000513300000000, -0.0000077900000000, 0.0000012300000000 ] - [ 0.0012678600000000, 0.0014923900000000, -0.0022089100000000 ] - [ 0.0000000800000000, -0.0003594200000000, -0.0002609700000000 ] - [ -0.0004014700000000, -0.0004081900000000, -0.0011958000000000 ] - [ -0.0000845000000000, 0.0004756300000000, 0.0000605200000000 ] - [ -0.0002686600000000, 0.0004064100000000, 0.0012429700000000 ] - [ -0.0000919900000000, -0.0004850000000000, -0.0000486000000000 ] - [ 0.0001017500000000, -0.0004765000000000, 0.0000521200000000 ] - [ 0.0000947700000000, -0.0004891700000000, 0.0000456100000000 ] - [ -0.0000459100000000, -0.0000746200000000, 0.0004592900000000 ] - [ -0.0000303900000000, -0.0000842000000000, 0.0004583300000000 ] - [ -0.0000364000000000, 0.0000912000000000, 0.0004573000000000 ] - [ -0.0000507200000000, 0.0000646100000000, 0.0004639400000000 ] - [ -0.0000011000000000, 0.0003304100000000, -0.0002872200000000 ] - [ -0.0000029300000000, 0.0002677300000000, -0.0003494300000000 ] - [ -0.0001087300000000, -0.0015007700000000, -0.0008092400000000 ] - [ -0.0000905300000000, -0.0004841100000000, 0.0000484000000000 ] - [ 0.0000463800000000, 0.0000841500000000, 0.0004518200000000 ] - [ 0.0000518600000000, 0.0000626900000000, 0.0004631700000000 ] - [ 0.0000777800000000, 0.0004756700000000, -0.0000683100000000 ] - [ 0.0000754800000000, 0.0004833800000000, -0.0000759300000000 ] - [ -0.0000697600000000, -0.0000007400000000, -0.0000017900000000 ] - [ -0.0000723600000000, -0.0000033400000000, 0.0000125700000000 ] - [ 0.0000018000000000, -0.0002519700000000, 0.0003640600000000 ] - [ 0.0000000900000000, -0.0003454000000000, 0.0002741100000000 ] - [ -0.0000184000000000, -0.0000162400000000, 0.0000070500000000 ] - [ -0.0000084000000000, -0.0000022800000000, 0.0000070100000000 ] - [ -0.0000001200000000, 0.0003812500000000, 0.0002571100000000 ] - [ 0.0000004900000000, 0.0002800900000000, 0.0003336500000000 ] - [ 0.0001058600000000, -0.0004756300000000, -0.0000398600000000 ] - [ 0.0000865100000000, -0.0004803500000000, -0.0000534600000000 ] - [ 0.0000635800000000, 0.0000154600000000, -0.0004917800000000 ] - [ 0.0000454800000000, 0.0000665500000000, -0.0004659200000000 ] - [ 0.0000398000000000, -0.0000839200000000, 0.0004560100000000 ] - [ 0.0000668900000000, -0.0000817700000000, 0.0004554100000000 ] - [ -0.0000488600000000, -0.0000629000000000, -0.0004619400000000 ] - [ -0.0000419000000000, -0.0000843200000000, -0.0004556600000000 ] - [ -0.0000286400000000, 0.0000910300000000, -0.0004499400000000 ] - [ -0.0000508300000000, 0.0000676600000000, -0.0004628100000000 ] - [ 0.0000832800000000, 0.0004767100000000, 0.0000589000000000 ] - [ 0.0001046100000000, 0.0004847700000000, 0.0000587400000000 ] - [ -0.0000679400000000, 0.0004730600000000, -0.0000784900000000 ] - [ -0.0001073300000000, 0.0004982800000000, -0.0000835800000000 ] - [ 0.0000740100000000, 0.0000027700000000, -0.0000007500000000 ] - [ 0.0000485300000000, 0.0000067300000000, -0.0000010600000000 ] - [ 0.0000620100000000, -0.0000474900000000, -0.0004720600000000 ] - [ 0.0000418100000000, -0.0000842600000000, -0.0004574000000000 ] - [ -0.0000487000000000, -0.0000511200000000, 0.0000180800000000 ] - [ 0.0003979800000000, 0.0000654400000000, -0.0000324500000000 ] - [ 0.0000027800000000, -0.0002989000000000, -0.0003249600000000 ] - [ -0.0000025500000000, -0.0003623700000000, -0.0002599300000000 ] - [ -0.0000874700000000, 0.0004769300000000, 0.0000584500000000 ] - [ -0.0000708300000000, 0.0004679000000000, 0.0000696200000000 ] - [ -0.0000705000000000, -0.0004818400000000, -0.0000722400000000 ] - [ -0.0000915500000000, -0.0004833200000000, -0.0000503200000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001963900000000, 0.0005821000000000, 0.0003189400000000 ] - [ 0.0006445900000000, -0.0000002400000000, 0.0000003900000000 ] - [ 0.0002113200000000, 0.0001486800000000, 0.0000719400000000 ] - [ -0.0000020900000000, 0.0001538000000000, 0.0000721900000000 ] - [ -0.0006821000000000, -0.0001461900000000, -0.0000718400000000 ] - [ -0.0000054500000000, -0.0001501200000000, -0.0000718600000000 ] - [ 0.0075829900000000, -0.0002594300000000, 0.0000649700000000 ] - [ -0.0000012000000000, -0.0001529300000000, 0.0000728000000000 ] - [ 0.0000030600000000, 0.0000906600000000, -0.0000844700000000 ] - [ 0.0002064800000000, 0.0000932100000000, -0.0000880500000000 ] - [ -0.0009118200000000, -0.0000469700000000, 0.0000653400000000 ] - [ -0.0006392100000000, 0.0000057400000000, -0.0000020800000000 ] - [ 0.0001857500000000, -0.0000930700000000, -0.0000879800000000 ] - [ -0.0000161800000000, -0.0000913400000000, -0.0000867500000000 ] - [ -0.0006840300000000, -0.0000932300000000, 0.0000836500000000 ] - [ 0.0000004300000000, -0.0000908400000000, 0.0000857500000000 ] - [ -0.0000086400000000, 0.0001514800000000, -0.0000717100000000 ] - [ 0.0001820100000000, 0.0001561500000000, -0.0000699900000000 ] - [ 0.0003767300000000, 0.0000470400000000, -0.0000632400000000 ] - [ 0.0006486700000000, -0.0000057300000000, 0.0000027600000000 ] - [ 0.0075755900000000, 0.0000974200000000, 0.0001884800000000 ] - [ -0.0000003100000000, 0.0000938400000000, 0.0000894400000000 ] - [ -0.0014811200000000, -0.0005761300000000, -0.0003106500000000 ] - [ -0.0006418800000000, 0.0000009600000000, -0.0000000800000000 ] - [ 0.0006422800000000, 0.0000030100000000, 0.0000015100000000 ] - [ 0.0005944300000000, 0.0000007400000000, -0.0000118000000000 ] - [ 0.0000031500000000, 0.0001523800000000, 0.0000718500000000 ] - [ 0.0000096100000000, 0.0001526800000000, 0.0000721200000000 ] - [ -0.0000195200000000, -0.0001512100000000, -0.0000733900000000 ] - [ -0.0000008300000000, -0.0001540100000000, -0.0000718900000000 ] - [ 0.0000046200000000, -0.0001528500000000, 0.0000727700000000 ] - [ 0.0000077500000000, -0.0001522100000000, 0.0000719200000000 ] - [ -0.0000114600000000, 0.0000918200000000, -0.0000846200000000 ] - [ 0.0000011400000000, 0.0000919800000000, -0.0000876500000000 ] - [ -0.0006400700000000, -0.0000043500000000, 0.0000049600000000 ] - [ -0.0014930800000000, 0.0003155400000000, 0.0005738700000000 ] - [ 0.0000054400000000, -0.0000905600000000, -0.0000823200000000 ] - [ 0.0000000500000000, -0.0000926700000000, -0.0000869400000000 ] - [ 0.0000158700000000, -0.0000917800000000, 0.0000868900000000 ] - [ 0.0000099800000000, -0.0000921200000000, 0.0000866600000000 ] - [ -0.0000181300000000, 0.0001517000000000, -0.0000723900000000 ] - [ -0.0000000500000000, 0.0001539200000000, -0.0000703100000000 ] - [ 0.0006466800000000, 0.0000039700000000, -0.0000044100000000 ] - [ -0.0002053600000000, -0.0003240800000000, -0.0005794400000000 ] - [ 0.0000040200000000, 0.0000910100000000, 0.0000870100000000 ] - [ -0.0000155000000000, 0.0000890700000000, 0.0000813100000000 ] - [ -0.0006451900000000, -0.0000038100000000, -0.0000017000000000 ] - [ -0.0006902600000000, -0.0000013800000000, 0.0000117300000000 ] - [ 0.0000994500000000, -0.0004797500000000, 0.0000392300000000 ] - [ 0.0000824300000000, -0.0004801000000000, 0.0000521300000000 ] - [ 0.0000063800000000, 0.0000190000000000, 0.0019024400000000 ] - [ -0.0000397000000000, -0.0000708300000000, 0.0004608000000000 ] - [ 0.0000881600000000, -0.0012399000000000, -0.0007892200000000 ] - [ -0.0000427700000000, 0.0000721200000000, 0.0004601900000000 ] - [ -0.0106032500000000, 0.0003935700000000, -0.0003806600000000 ] - [ 0.0000000200000000, 0.0003095200000000, -0.0002988300000000 ] - [ -0.0000695900000000, -0.0004824200000000, 0.0000620900000000 ] - [ -0.0000852300000000, -0.0004800300000000, 0.0000510900000000 ] - [ 0.0001685200000000, 0.0013905400000000, 0.0017223100000000 ] - [ 0.0000422500000000, 0.0000704300000000, 0.0004594100000000 ] - [ 0.0000955700000000, 0.0004779900000000, -0.0000421400000000 ] - [ 0.0000813300000000, 0.0004794400000000, -0.0000530800000000 ] - [ 0.0005359300000000, -0.0002260100000000, 0.0002314600000000 ] - [ -0.0000563200000000, -0.0000034700000000, -0.0000003700000000 ] - [ -0.0000464100000000, -0.0003106200000000, 0.0002973400000000 ] - [ -0.0000295100000000, -0.0003090900000000, 0.0002963300000000 ] - [ -0.0003789600000000, 0.0000795100000000, 0.0001782500000000 ] - [ -0.0000482700000000, 0.0000006800000000, 0.0000004900000000 ] - [ -0.0000219200000000, 0.0003113100000000, 0.0002960500000000 ] - [ -0.0000224900000000, 0.0003092300000000, 0.0002993900000000 ] - [ 0.0002140700000000, -0.0017424800000000, -0.0013694400000000 ] - [ 0.0000830300000000, -0.0004800200000000, -0.0000511000000000 ] - [ -0.0000027400000000, 0.0000493100000000, -0.0003703100000000 ] - [ 0.0000419800000000, 0.0000668100000000, -0.0004602300000000 ] - [ 0.0000962000000000, -0.0001594400000000, -0.0009993100000000 ] - [ 0.0000402200000000, -0.0000697700000000, 0.0004593200000000 ] - [ -0.0000452100000000, -0.0000682900000000, -0.0004553900000000 ] - [ -0.0001349900000000, 0.0000226300000000, -0.0004064700000000 ] - [ -0.0000884100000000, 0.0000924200000000, -0.0005481700000000 ] - [ -0.0000418700000000, 0.0000717100000000, -0.0004612000000000 ] - [ -0.0000087800000000, 0.0005361100000000, 0.0001464400000000 ] - [ 0.0000826800000000, 0.0004809800000000, 0.0000494900000000 ] - [ -0.0000718700000000, 0.0004810300000000, -0.0000604900000000 ] - [ -0.0000847600000000, 0.0004821000000000, -0.0000507100000000 ] - [ 0.0006254000000000, 0.0002179200000000, -0.0002231500000000 ] - [ 0.0000434000000000, 0.0000042900000000, 0.0000007100000000 ] - [ 0.0000405400000000, -0.0000730300000000, -0.0004639600000000 ] - [ -0.0000517800000000, -0.0001616100000000, -0.0005122700000000 ] - [ -0.0002862600000000, -0.0000804600000000, -0.0001795900000000 ] - [ 0.0000501500000000, 0.0000004600000000, 0.0000000300000000 ] - [ -0.0000457800000000, -0.0003055300000000, -0.0003016900000000 ] - [ 0.0000000600000000, -0.0003116100000000, -0.0002984000000000 ] - [ -0.0001813000000000, 0.0004219500000000, -0.0000434400000000 ] - [ -0.0000825000000000, 0.0004801900000000, 0.0000528600000000 ] - [ 0.0000466900000000, 0.0007703100000000, 0.0012521900000000 ] - [ -0.0000834400000000, -0.0004797400000000, -0.0000495000000000 ] - [ 0.0001379100000000, 0.0009779600000000, 0.0001364600000000 ] - [ 0.0000839100000000, -0.0004791900000000, 0.0000500900000000 ] - [ -0.0000431600000000, -0.0000714600000000, 0.0004645600000000 ] - [ -0.0000408000000000, -0.0000725700000000, 0.0004616900000000 ] - [ -0.0000218600000000, 0.0000705100000000, 0.0004579600000000 ] - [ -0.0000445500000000, 0.0000691700000000, 0.0004637300000000 ] - [ -0.0000021800000000, 0.0003082400000000, -0.0002983900000000 ] - [ -0.0000013900000000, 0.0003109100000000, -0.0002976100000000 ] - [ -0.0000322700000000, -0.0019219500000000, -0.0000368000000000 ] - [ -0.0000864000000000, -0.0004820100000000, 0.0000529300000000 ] - [ 0.0000595400000000, 0.0000703200000000, 0.0004623300000000 ] - [ 0.0000391800000000, 0.0000725100000000, 0.0004569000000000 ] - [ 0.0000845600000000, 0.0004800000000000, -0.0000516400000000 ] - [ 0.0000389800000000, 0.0003899900000000, -0.0000288800000000 ] - [ -0.0000478600000000, 0.0000003600000000, 0.0000001600000000 ] - [ -0.0003743000000000, -0.0001858900000000, -0.0000879000000000 ] - [ -0.0000026200000000, -0.0003095100000000, 0.0003002900000000 ] - [ 0.0000002500000000, -0.0003108400000000, 0.0003000500000000 ] - [ -0.0000491500000000, -0.0000007500000000, -0.0000007100000000 ] - [ -0.0000086200000000, 0.0000130100000000, -0.0000128900000000 ] - [ 0.0000103200000000, 0.0003090300000000, 0.0002990900000000 ] - [ 0.0000004600000000, 0.0003104700000000, 0.0002994900000000 ] - [ 0.0000916600000000, -0.0004816700000000, -0.0000398500000000 ] - [ 0.0000830600000000, -0.0004794200000000, -0.0000524400000000 ] - [ 0.0000447300000000, 0.0000643500000000, -0.0004620000000000 ] - [ 0.0000400800000000, 0.0000713400000000, -0.0004610200000000 ] - [ 0.0000411800000000, -0.0000695000000000, 0.0004571200000000 ] - [ 0.0000466600000000, -0.0000673500000000, 0.0004583000000000 ] - [ -0.0000215800000000, -0.0000910700000000, -0.0004601700000000 ] - [ -0.0000434100000000, -0.0000700900000000, -0.0004587200000000 ] - [ -0.0000419300000000, 0.0000766500000000, -0.0004566900000000 ] - [ -0.0000407900000000, 0.0000718600000000, -0.0004590200000000 ] - [ 0.0000839100000000, 0.0004799400000000, 0.0000510400000000 ] - [ 0.0000871200000000, 0.0004783400000000, 0.0000520700000000 ] - [ -0.0000838200000000, 0.0004790900000000, -0.0000542700000000 ] - [ -0.0001276700000000, 0.0005701400000000, -0.0000742200000000 ] - [ 0.0000451700000000, -0.0000012300000000, 0.0000006500000000 ] - [ -0.0002751900000000, 0.0001872800000000, 0.0000888000000000 ] - [ 0.0000638700000000, -0.0000473600000000, -0.0004617800000000 ] - [ 0.0000404000000000, -0.0000700400000000, -0.0004610000000000 ] - [ 0.0000524800000000, -0.0000002100000000, 0.0000006800000000 ] - [ 0.0000903200000000, -0.0000135700000000, 0.0000125300000000 ] - [ -0.0000055500000000, -0.0003082700000000, -0.0003031000000000 ] - [ -0.0000007300000000, -0.0003090800000000, -0.0003001400000000 ] - [ -0.0000843700000000, 0.0004796100000000, 0.0000513900000000 ] - [ -0.0000849200000000, 0.0004827900000000, 0.0000520700000000 ] - [ -0.0000800300000000, -0.0004799000000000, -0.0000641500000000 ] - [ -0.0000836700000000, -0.0004799400000000, -0.0000515700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011795800000000, 0.0003462000000000, 0.0009802500000000 ] - [ 0.0004730300000000, -0.0001831100000000, 0.0000811700000000 ] - [ 0.0000000000000000, 0.0012023300000000, 0.0015827000000000 ] - [ 0.0000000000000000, -0.0002759200000000, 0.0001677900000000 ] - [ 0.0000000000000000, -0.0016170200000000, 0.0006764100000000 ] - [ 0.0000000000000000, -0.0007000600000000, 0.0001110300000000 ] - [ 0.0000000000000000, 0.0446305500000000, 0.0115495900000000 ] - [ 0.0000000000000000, -0.0005765600000000, -0.0000249000000000 ] - [ 0.0000000000000000, -0.0002217900000000, 0.0002509200000000 ] - [ 0.0000000000000000, 0.0015434500000000, 0.0008767600000000 ] - [ -0.0001139000000000, 0.0002197100000000, -0.0001205600000000 ] - [ -0.0008237200000000, -0.0001409400000000, 0.0000132500000000 ] - [ 0.0000000000000000, -0.0002972400000000, -0.0016044600000000 ] - [ 0.0000000000000000, -0.0003815200000000, -0.0005610600000000 ] - [ 0.0000000000000000, 0.0019152200000000, 0.0006027400000000 ] - [ 0.0000000000000000, -0.0003445700000000, 0.0003185700000000 ] - [ 0.0000000000000000, -0.0003373100000000, -0.0001415200000000 ] - [ 0.0000000000000000, -0.0019591000000000, -0.0012001600000000 ] - [ 0.0001139000000000, 0.0002197100000000, -0.0001205600000000 ] - [ 0.0008237200000000, -0.0001409400000000, 0.0000132500000000 ] - [ 0.0000000000000000, 0.0146740100000000, 0.0065412100000000 ] - [ 0.0000000000000000, -0.0001731100000000, -0.0001636900000000 ] - [ -0.0011795800000000, 0.0003462000000000, 0.0009802500000000 ] - [ -0.0004730300000000, -0.0001831100000000, 0.0000811700000000 ] - [ 0.0005000000000000, -0.0001427400000000, -0.0000068600000000 ] - [ 0.0008640100000000, 0.0001310800000000, 0.0000067000000000 ] - [ 0.0000000000000000, 0.0000101700000000, 0.0000332300000000 ] - [ 0.0000000000000000, 0.0000689700000000, 0.0000074400000000 ] - [ 0.0000000000000000, 0.0003685500000000, -0.0000122300000000 ] - [ 0.0000000000000000, -0.0004124500000000, -0.0000403700000000 ] - [ 0.0000000000000000, -0.0002967900000000, 0.0001355300000000 ] - [ 0.0000000000000000, -0.0002788300000000, 0.0001154400000000 ] - [ 0.0000000000000000, 0.0003946700000000, -0.0000235700000000 ] - [ 0.0000000000000000, -0.0000796400000000, 0.0000210800000000 ] - [ -0.0007863200000000, -0.0002472100000000, -0.0000347900000000 ] - [ -0.0005499800000000, 0.0019642600000000, 0.0010712900000000 ] - [ 0.0000000000000000, 0.0001935300000000, -0.0001373500000000 ] - [ 0.0000000000000000, -0.0002649200000000, -0.0001958000000000 ] - [ 0.0000000000000000, -0.0000715600000000, 0.0000346600000000 ] - [ 0.0000000000000000, -0.0002309300000000, 0.0000141700000000 ] - [ 0.0000000000000000, 0.0006420200000000, -0.0000936300000000 ] - [ 0.0000000000000000, -0.0001015800000000, -0.0001018400000000 ] - [ 0.0007863200000000, -0.0002472100000000, -0.0000347900000000 ] - [ 0.0005499800000000, 0.0019642600000000, 0.0010712900000000 ] - [ 0.0000000000000000, -0.0000557400000000, 0.0001109400000000 ] - [ 0.0000000000000000, 0.0001135400000000, 0.0002152600000000 ] - [ -0.0005000000000000, -0.0001427400000000, -0.0000068600000000 ] - [ -0.0008640100000000, 0.0001310800000000, 0.0000067000000000 ] - [ 0.0001400900000000, -0.0005322900000000, 0.0000351700000000 ] - [ 0.0000674900000000, -0.0004453900000000, 0.0000782200000000 ] - [ 0.0001711800000000, -0.0009686200000000, -0.0001755200000000 ] - [ -0.0001139500000000, 0.0000558800000000, 0.0005033100000000 ] - [ -0.0014989800000000, 0.0003871400000000, 0.0022710600000000 ] - [ 0.0000146900000000, 0.0002106300000000, 0.0004130200000000 ] - [ 0.0000000000000000, -0.0689404400000000, -0.0325140700000000 ] - [ 0.0000000000000000, 0.0007534000000000, 0.0001136300000000 ] - [ -0.0001400900000000, -0.0005322900000000, 0.0000351700000000 ] - [ -0.0000674900000000, -0.0004453900000000, 0.0000782200000000 ] - [ 0.0014989800000000, 0.0003871400000000, 0.0022710600000000 ] - [ -0.0000146900000000, 0.0002106300000000, 0.0004130200000000 ] - [ 0.0000953300000000, 0.0004710000000000, -0.0000957100000000 ] - [ 0.0001073000000000, 0.0005081100000000, -0.0000283100000000 ] - [ -0.0008237000000000, -0.0000641900000000, -0.0001329900000000 ] - [ 0.0001328000000000, 0.0001280500000000, 0.0000154100000000 ] - [ 0.0000000000000000, 0.0001789400000000, 0.0008474300000000 ] - [ 0.0000000000000000, 0.0004777900000000, 0.0010256000000000 ] - [ 0.0011535700000000, -0.0002098800000000, -0.0001970900000000 ] - [ -0.0002108600000000, 0.0000307100000000, -0.0000103100000000 ] - [ 0.0000000000000000, 0.0009387200000000, -0.0002237800000000 ] - [ 0.0000000000000000, 0.0009362300000000, -0.0007600600000000 ] - [ -0.0010719000000000, 0.0013241900000000, 0.0021644800000000 ] - [ 0.0000456600000000, -0.0004310900000000, -0.0001053100000000 ] - [ -0.0001808500000000, 0.0002265500000000, -0.0003251100000000 ] - [ 0.0000011800000000, 0.0002077900000000, -0.0004496100000000 ] - [ -0.0001711800000000, -0.0009686200000000, -0.0001755200000000 ] - [ 0.0001139500000000, 0.0000558800000000, 0.0005033100000000 ] - [ -0.0001269900000000, 0.0000931500000000, -0.0005011900000000 ] - [ -0.0003656500000000, 0.0003446200000000, -0.0005828500000000 ] - [ 0.0001808500000000, 0.0002265500000000, -0.0003251100000000 ] - [ -0.0000011800000000, 0.0002077900000000, -0.0004496100000000 ] - [ -0.0001905300000000, 0.0003259600000000, 0.0007181100000000 ] - [ 0.0001238400000000, 0.0005367300000000, 0.0000121100000000 ] - [ -0.0000953300000000, 0.0004710000000000, -0.0000957100000000 ] - [ -0.0001073000000000, 0.0005081100000000, -0.0000283100000000 ] - [ 0.0008237000000000, -0.0000641900000000, -0.0001329900000000 ] - [ -0.0001328000000000, 0.0001280500000000, 0.0000154100000000 ] - [ 0.0001269900000000, 0.0000931500000000, -0.0005011900000000 ] - [ 0.0003656500000000, 0.0003446200000000, -0.0005828500000000 ] - [ -0.0011535700000000, -0.0002098800000000, -0.0001970900000000 ] - [ 0.0002108600000000, 0.0000307100000000, -0.0000103100000000 ] - [ 0.0000000000000000, -0.0036103900000000, 0.0016992900000000 ] - [ 0.0000000000000000, 0.0001253000000000, -0.0007183500000000 ] - [ 0.0001905300000000, 0.0003259600000000, 0.0007181100000000 ] - [ -0.0001238400000000, 0.0005367300000000, 0.0000121100000000 ] - [ 0.0010719000000000, 0.0013241900000000, 0.0021644800000000 ] - [ -0.0000456600000000, -0.0004310900000000, -0.0001053100000000 ] - [ 0.0012332800000000, 0.0014089900000000, -0.0002807400000000 ] - [ 0.0000510500000000, -0.0004246100000000, 0.0000959400000000 ] - [ -0.0000835500000000, 0.0000020900000000, 0.0005065900000000 ] - [ -0.0000423800000000, -0.0001436900000000, 0.0004418000000000 ] - [ -0.0000523600000000, 0.0000144100000000, 0.0004743100000000 ] - [ -0.0000071500000000, 0.0001467500000000, 0.0004105100000000 ] - [ 0.0000000000000000, 0.0003799300000000, -0.0002353800000000 ] - [ 0.0000000000000000, 0.0003792300000000, -0.0003702100000000 ] - [ -0.0012332800000000, 0.0014089900000000, -0.0002807400000000 ] - [ -0.0000510500000000, -0.0004246100000000, 0.0000959400000000 ] - [ 0.0000523600000000, 0.0000144100000000, 0.0004743100000000 ] - [ 0.0000071500000000, 0.0001467500000000, 0.0004105100000000 ] - [ 0.0001235300000000, 0.0005304000000000, -0.0000163800000000 ] - [ 0.0004060000000000, 0.0007599000000000, 0.0004621000000000 ] - [ 0.0000973500000000, 0.0000423000000000, 0.0000065700000000 ] - [ -0.0016207200000000, -0.0003872800000000, -0.0001379800000000 ] - [ 0.0000000000000000, -0.0007214600000000, 0.0000701300000000 ] - [ 0.0000000000000000, -0.0000302800000000, 0.0005499500000000 ] - [ -0.0001818400000000, 0.0001151100000000, -0.0000108900000000 ] - [ 0.0001749800000000, -0.0001303400000000, 0.0000106000000000 ] - [ 0.0000000000000000, -0.0001131600000000, 0.0005706700000000 ] - [ 0.0000000000000000, 0.0005940800000000, 0.0000558700000000 ] - [ 0.0000774600000000, -0.0004737100000000, -0.0000349600000000 ] - [ 0.0000678700000000, -0.0004512100000000, -0.0000822200000000 ] - [ 0.0001122400000000, -0.0000084600000000, -0.0005211100000000 ] - [ 0.0000141300000000, 0.0001533600000000, -0.0004275300000000 ] - [ 0.0000835500000000, 0.0000020900000000, 0.0005065900000000 ] - [ 0.0000423800000000, -0.0001436900000000, 0.0004418000000000 ] - [ 0.0000256700000000, -0.0001880100000000, -0.0003924900000000 ] - [ -0.0000767500000000, 0.0000039000000000, -0.0004939100000000 ] - [ -0.0001122400000000, -0.0000084600000000, -0.0005211100000000 ] - [ -0.0000141300000000, 0.0001533600000000, -0.0004275300000000 ] - [ 0.0001084500000000, 0.0005145300000000, 0.0000324300000000 ] - [ 0.0000369100000000, 0.0004138500000000, 0.0000814600000000 ] - [ -0.0001235300000000, 0.0005304000000000, -0.0000163800000000 ] - [ -0.0004060000000000, 0.0007599000000000, 0.0004621000000000 ] - [ -0.0000973500000000, 0.0000423000000000, 0.0000065700000000 ] - [ 0.0016207200000000, -0.0003872800000000, -0.0001379800000000 ] - [ -0.0000256700000000, -0.0001880100000000, -0.0003924900000000 ] - [ 0.0000767500000000, 0.0000039000000000, -0.0004939100000000 ] - [ 0.0001818400000000, 0.0001151100000000, -0.0000108900000000 ] - [ -0.0001749800000000, -0.0001303400000000, 0.0000106000000000 ] - [ 0.0000000000000000, -0.0002108200000000, -0.0003018100000000 ] - [ 0.0000000000000000, -0.0003066100000000, -0.0003167300000000 ] - [ -0.0001084500000000, 0.0005145300000000, 0.0000324300000000 ] - [ -0.0000369100000000, 0.0004138500000000, 0.0000814600000000 ] - [ -0.0000774600000000, -0.0004737100000000, -0.0000349600000000 ] - [ -0.0000678700000000, -0.0004512100000000, -0.0000822200000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001070800000000, -0.0003351200000000, -0.0009825400000000 ] - [ 0.0008141300000000, 0.0001838300000000, -0.0000799100000000 ] - [ 0.0000000000000000, -0.0008542000000000, -0.0014820600000000 ] - [ 0.0000000000000000, 0.0005815600000000, -0.0000248200000000 ] - [ 0.0000000000000000, 0.0013231100000000, -0.0008091900000000 ] - [ 0.0000000000000000, 0.0003928700000000, -0.0002525200000000 ] - [ 0.0000000000000000, -0.0428418800000000, -0.0105256700000000 ] - [ 0.0000000000000000, 0.0002681400000000, 0.0001668500000000 ] - [ 0.0000000000000000, 0.0004026800000000, -0.0004148400000000 ] - [ 0.0000000000000000, -0.0013250300000000, -0.0010515600000000 ] - [ -0.0011645600000000, -0.0002182300000000, 0.0001213200000000 ] - [ -0.0004624500000000, 0.0001409200000000, -0.0000131000000000 ] - [ 0.0000000000000000, 0.0001049400000000, 0.0014243400000000 ] - [ 0.0000000000000000, 0.0001973400000000, 0.0003884700000000 ] - [ 0.0000000000000000, -0.0020747100000000, -0.0003824000000000 ] - [ 0.0000000000000000, 0.0001607800000000, -0.0001493000000000 ] - [ 0.0000000000000000, 0.0006408600000000, -0.0000025700000000 ] - [ 0.0000000000000000, 0.0022547500000000, 0.0010520100000000 ] - [ 0.0011645600000000, -0.0002182300000000, 0.0001213200000000 ] - [ 0.0004624500000000, 0.0001409200000000, -0.0000131000000000 ] - [ 0.0000000000000000, -0.0147066000000000, -0.0065612400000000 ] - [ 0.0000000000000000, 0.0003562300000000, 0.0003321900000000 ] - [ -0.0001070800000000, -0.0003351200000000, -0.0009825400000000 ] - [ -0.0008141300000000, 0.0001838300000000, -0.0000799100000000 ] - [ 0.0007836600000000, 0.0001418700000000, 0.0000067800000000 ] - [ 0.0004214000000000, -0.0001301900000000, -0.0000078300000000 ] - [ 0.0000000000000000, 0.0002921100000000, 0.0001106000000000 ] - [ 0.0000000000000000, 0.0002321900000000, 0.0001358500000000 ] - [ 0.0000000000000000, -0.0006659900000000, -0.0001333800000000 ] - [ 0.0000000000000000, 0.0001052200000000, -0.0001021500000000 ] - [ 0.0000000000000000, -0.0000104700000000, 0.0000072100000000 ] - [ 0.0000000000000000, -0.0000302600000000, 0.0000256100000000 ] - [ 0.0000000000000000, -0.0002100500000000, -0.0001468400000000 ] - [ 0.0000000000000000, 0.0002621200000000, -0.0001887500000000 ] - [ -0.0005013100000000, 0.0002464000000000, 0.0000336100000000 ] - [ -0.0007537900000000, -0.0019405100000000, -0.0010454000000000 ] - [ 0.0000000000000000, -0.0003746900000000, -0.0000334800000000 ] - [ 0.0000000000000000, 0.0000787000000000, 0.0000203700000000 ] - [ 0.0000000000000000, -0.0001121200000000, 0.0001379900000000 ] - [ 0.0000000000000000, 0.0000478900000000, 0.0001523100000000 ] - [ 0.0000000000000000, -0.0003329100000000, -0.0000483500000000 ] - [ 0.0000000000000000, 0.0004106700000000, -0.0000386200000000 ] - [ 0.0005013100000000, 0.0002464000000000, 0.0000336100000000 ] - [ 0.0007537900000000, -0.0019405100000000, -0.0010454000000000 ] - [ 0.0000000000000000, 0.0002400500000000, 0.0000631000000000 ] - [ 0.0000000000000000, 0.0000695800000000, -0.0000473700000000 ] - [ -0.0007836600000000, 0.0001418700000000, 0.0000067800000000 ] - [ -0.0004214000000000, -0.0001301900000000, -0.0000078300000000 ] - [ 0.0000352800000000, -0.0004275900000000, 0.0000759200000000 ] - [ 0.0001079600000000, -0.0005143600000000, 0.0000319300000000 ] - [ -0.0002743600000000, 0.0008240700000000, 0.0011074300000000 ] - [ 0.0000213100000000, -0.0002021500000000, 0.0004190400000000 ] - [ 0.0013777700000000, -0.0002519800000000, -0.0013258500000000 ] - [ -0.0001091200000000, -0.0000603000000000, 0.0005071200000000 ] - [ 0.0000000000000000, 0.0674863100000000, 0.0312376400000000 ] - [ 0.0000000000000000, -0.0001247500000000, -0.0007144900000000 ] - [ -0.0000352800000000, -0.0004275900000000, 0.0000759200000000 ] - [ -0.0001079600000000, -0.0005143600000000, 0.0000319300000000 ] - [ -0.0013777700000000, -0.0002519800000000, -0.0013258500000000 ] - [ 0.0001091200000000, -0.0000603000000000, 0.0005071200000000 ] - [ 0.0000809700000000, 0.0004887500000000, -0.0000151000000000 ] - [ 0.0000678000000000, 0.0004524900000000, -0.0000823200000000 ] - [ 0.0007305900000000, 0.0000646600000000, 0.0001325900000000 ] - [ -0.0002213900000000, -0.0001270200000000, -0.0000152500000000 ] - [ 0.0000000000000000, -0.0008013800000000, -0.0002432400000000 ] - [ 0.0000000000000000, -0.0010960900000000, -0.0004142400000000 ] - [ -0.0012314400000000, 0.0002114200000000, 0.0001945100000000 ] - [ 0.0001200700000000, -0.0000309200000000, 0.0000100300000000 ] - [ 0.0000000000000000, -0.0003055500000000, 0.0008194000000000 ] - [ 0.0000000000000000, -0.0003079500000000, 0.0013613400000000 ] - [ 0.0012808500000000, -0.0023206300000000, -0.0023273600000000 ] - [ 0.0001292000000000, -0.0005285500000000, -0.0000046800000000 ] - [ 0.0002743000000000, -0.0000739800000000, -0.0005935500000000 ] - [ 0.0000899200000000, -0.0000578500000000, -0.0004717600000000 ] - [ 0.0002743600000000, 0.0008240700000000, 0.0011074300000000 ] - [ -0.0000213100000000, -0.0002021500000000, 0.0004190400000000 ] - [ 0.0000322400000000, -0.0002419800000000, -0.0004195900000000 ] - [ 0.0002717100000000, -0.0004885600000000, -0.0003385800000000 ] - [ -0.0002743000000000, -0.0000739800000000, -0.0005935500000000 ] - [ -0.0000899200000000, -0.0000578500000000, -0.0004717600000000 ] - [ 0.0003673100000000, 0.0006332100000000, -0.0006073500000000 ] - [ 0.0000506200000000, 0.0004234700000000, 0.0000980200000000 ] - [ -0.0000809700000000, 0.0004887500000000, -0.0000151000000000 ] - [ -0.0000678000000000, 0.0004524900000000, -0.0000823200000000 ] - [ -0.0007305900000000, 0.0000646600000000, 0.0001325900000000 ] - [ 0.0002213900000000, -0.0001270200000000, -0.0000152500000000 ] - [ -0.0000322400000000, -0.0002419800000000, -0.0004195900000000 ] - [ -0.0002717100000000, -0.0004885600000000, -0.0003385800000000 ] - [ 0.0012314400000000, 0.0002114200000000, 0.0001945100000000 ] - [ -0.0001200700000000, -0.0000309200000000, 0.0000100300000000 ] - [ 0.0000000000000000, 0.0029686000000000, -0.0022927800000000 ] - [ 0.0000000000000000, -0.0007476600000000, 0.0001088300000000 ] - [ -0.0003673100000000, 0.0006332100000000, -0.0006073500000000 ] - [ -0.0000506200000000, 0.0004234700000000, 0.0000980200000000 ] - [ -0.0012808500000000, -0.0023206300000000, -0.0023273600000000 ] - [ -0.0001292000000000, -0.0005285500000000, -0.0000046800000000 ] - [ -0.0010263100000000, -0.0023323600000000, 0.0003764500000000 ] - [ 0.0001266600000000, -0.0005346800000000, 0.0000164300000000 ] - [ -0.0000096000000000, -0.0001505600000000, 0.0004152200000000 ] - [ -0.0000533000000000, -0.0000059400000000, 0.0004778100000000 ] - [ -0.0000404000000000, 0.0001345200000000, 0.0004469500000000 ] - [ -0.0000853100000000, 0.0000020600000000, 0.0005109500000000 ] - [ 0.0000000000000000, 0.0002470000000000, -0.0003689300000000 ] - [ 0.0000000000000000, 0.0002467100000000, -0.0002332600000000 ] - [ 0.0010263100000000, -0.0023323600000000, 0.0003764500000000 ] - [ -0.0001266600000000, -0.0005346800000000, 0.0000164300000000 ] - [ 0.0000404000000000, 0.0001345200000000, 0.0004469500000000 ] - [ 0.0000853100000000, 0.0000020600000000, 0.0005109500000000 ] - [ 0.0000541100000000, 0.0004303800000000, -0.0000963000000000 ] - [ -0.0002279000000000, 0.0002057600000000, -0.0005694000000000 ] - [ -0.0001824900000000, -0.0000417300000000, -0.0000065900000000 ] - [ 0.0015184900000000, 0.0003829600000000, 0.0001363900000000 ] - [ 0.0000000000000000, 0.0000927900000000, 0.0005305600000000 ] - [ 0.0000000000000000, -0.0005931600000000, 0.0000559800000000 ] - [ 0.0000927600000000, -0.0001139600000000, 0.0000108800000000 ] - [ -0.0002597900000000, 0.0001294400000000, -0.0000098700000000 ] - [ 0.0000000000000000, 0.0007360400000000, 0.0000396300000000 ] - [ 0.0000000000000000, 0.0000326600000000, 0.0005497000000000 ] - [ 0.0001010100000000, -0.0004870300000000, -0.0000775600000000 ] - [ 0.0001077900000000, -0.0005076500000000, -0.0000295300000000 ] - [ -0.0000156300000000, 0.0001571000000000, -0.0003984500000000 ] - [ 0.0000783600000000, -0.0000035500000000, -0.0004933800000000 ] - [ 0.0000096000000000, -0.0001505600000000, 0.0004152200000000 ] - [ 0.0000533000000000, -0.0000059400000000, 0.0004778100000000 ] - [ -0.0001188200000000, 0.0000397300000000, -0.0005299900000000 ] - [ -0.0000159500000000, -0.0001511200000000, -0.0004277900000000 ] - [ 0.0000156300000000, 0.0001571000000000, -0.0003984500000000 ] - [ -0.0000783600000000, -0.0000035500000000, -0.0004933800000000 ] - [ 0.0000678800000000, 0.0004455700000000, 0.0000786800000000 ] - [ 0.0001424200000000, 0.0005470100000000, 0.0000308200000000 ] - [ -0.0000541100000000, 0.0004303800000000, -0.0000963000000000 ] - [ 0.0002279000000000, 0.0002057600000000, -0.0005694000000000 ] - [ 0.0001824900000000, -0.0000417300000000, -0.0000065900000000 ] - [ -0.0015184900000000, 0.0003829600000000, 0.0001363900000000 ] - [ 0.0001188200000000, 0.0000397300000000, -0.0005299900000000 ] - [ 0.0000159500000000, -0.0001511200000000, -0.0004277900000000 ] - [ -0.0000927600000000, -0.0001139600000000, 0.0000108800000000 ] - [ 0.0002597900000000, 0.0001294400000000, -0.0000098700000000 ] - [ 0.0000000000000000, -0.0004128200000000, -0.0003072900000000 ] - [ 0.0000000000000000, -0.0003179100000000, -0.0002903000000000 ] - [ -0.0000678800000000, 0.0004455700000000, 0.0000786800000000 ] - [ -0.0001424200000000, 0.0005470100000000, 0.0000308200000000 ] - [ -0.0001010100000000, -0.0004870300000000, -0.0000775600000000 ] - [ -0.0001077900000000, -0.0005076500000000, -0.0000295300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007648300000000, 0.0011727800000000, 0.0016236300000000 ] - [ 0.0004922500000000, -0.0001656500000000, 0.0000712500000000 ] - [ 0.0000000000000000, 0.0018493400000000, 0.0010733900000000 ] - [ 0.0000000000000000, -0.0002538000000000, 0.0001630600000000 ] - [ 0.0000000000000000, 0.0011305300000000, 0.0014436600000000 ] - [ 0.0000000000000000, -0.0007302700000000, 0.0001553200000000 ] - [ 0.0000000000000000, 0.0066561100000000, 0.0147172100000000 ] - [ 0.0000000000000000, -0.0005746400000000, -0.0000240700000000 ] - [ 0.0000000000000000, -0.0001281500000000, 0.0006466500000000 ] - [ 0.0000000000000000, 0.0019673500000000, -0.0002348200000000 ] - [ -0.0008293200000000, 0.0000379800000000, 0.0000593600000000 ] - [ -0.0007951300000000, -0.0001245100000000, 0.0000114200000000 ] - [ 0.0000000000000000, -0.0010110400000000, -0.0022845100000000 ] - [ 0.0000000000000000, -0.0003512600000000, -0.0004751000000000 ] - [ 0.0000000000000000, 0.0010795600000000, -0.0021897300000000 ] - [ 0.0000000000000000, -0.0003514300000000, 0.0003372100000000 ] - [ 0.0000000000000000, -0.0001665600000000, -0.0001470400000000 ] - [ 0.0000000000000000, -0.0015080500000000, -0.0004897000000000 ] - [ 0.0008293200000000, 0.0000379800000000, 0.0000593600000000 ] - [ 0.0007951300000000, -0.0001245100000000, 0.0000114200000000 ] - [ 0.0000000000000000, 0.0108329600000000, 0.0425823000000000 ] - [ 0.0000000000000000, -0.0001563400000000, -0.0001458600000000 ] - [ -0.0007648300000000, 0.0011727800000000, 0.0016236300000000 ] - [ -0.0004922500000000, -0.0001656500000000, 0.0000712500000000 ] - [ 0.0004320900000000, -0.0001212100000000, -0.0000193700000000 ] - [ 0.0007670100000000, 0.0001157300000000, 0.0000199100000000 ] - [ 0.0000000000000000, 0.0000773300000000, 0.0000090400000000 ] - [ 0.0000000000000000, 0.0000645200000000, 0.0000203600000000 ] - [ 0.0000000000000000, 0.0002438800000000, 0.0000078400000000 ] - [ 0.0000000000000000, -0.0003742800000000, -0.0000472600000000 ] - [ 0.0000000000000000, -0.0001771700000000, 0.0001674200000000 ] - [ 0.0000000000000000, -0.0002699000000000, 0.0001055300000000 ] - [ 0.0000000000000000, 0.0003726200000000, 0.0000667100000000 ] - [ 0.0000000000000000, -0.0000611900000000, 0.0000075900000000 ] - [ -0.0008411700000000, -0.0001592700000000, -0.0001000400000000 ] - [ -0.0000814100000000, 0.0012210700000000, 0.0002569900000000 ] - [ 0.0000000000000000, 0.0001417600000000, -0.0002217300000000 ] - [ 0.0000000000000000, -0.0002390400000000, -0.0001757900000000 ] - [ 0.0000000000000000, -0.0000446200000000, -0.0000985500000000 ] - [ 0.0000000000000000, -0.0002162300000000, 0.0000269700000000 ] - [ 0.0000000000000000, 0.0005421800000000, -0.0001927800000000 ] - [ 0.0000000000000000, -0.0000692300000000, -0.0000959500000000 ] - [ 0.0008411700000000, -0.0001592700000000, -0.0001000400000000 ] - [ 0.0000814100000000, 0.0012210700000000, 0.0002569900000000 ] - [ 0.0000000000000000, -0.0000178900000000, 0.0001977600000000 ] - [ 0.0000000000000000, 0.0000974800000000, 0.0001875500000000 ] - [ -0.0004320900000000, -0.0001212100000000, -0.0000193700000000 ] - [ -0.0007670100000000, 0.0001157300000000, 0.0000199100000000 ] - [ 0.0001515500000000, -0.0005528500000000, 0.0000018900000000 ] - [ 0.0000700900000000, -0.0004493900000000, 0.0000763600000000 ] - [ 0.0010924600000000, -0.0004708500000000, 0.0023277100000000 ] - [ -0.0001103100000000, 0.0000460700000000, 0.0004991700000000 ] - [ -0.0013413100000000, 0.0021818300000000, 0.0023864800000000 ] - [ 0.0000202300000000, 0.0001968100000000, 0.0004183800000000 ] - [ 0.0000000000000000, -0.0312281200000000, -0.0674142600000000 ] - [ 0.0000000000000000, 0.0007252400000000, 0.0000887300000000 ] - [ -0.0001515500000000, -0.0005528500000000, 0.0000018900000000 ] - [ -0.0000700900000000, -0.0004493900000000, 0.0000763600000000 ] - [ 0.0013413100000000, 0.0021818300000000, 0.0023864800000000 ] - [ -0.0000202300000000, 0.0001968100000000, 0.0004183800000000 ] - [ 0.0001072200000000, 0.0004857900000000, -0.0000683000000000 ] - [ 0.0001055500000000, 0.0005050200000000, -0.0000316200000000 ] - [ 0.0004027400000000, -0.0002348700000000, 0.0000469800000000 ] - [ 0.0001073200000000, 0.0001166200000000, 0.0000153400000000 ] - [ 0.0000000000000000, 0.0002296000000000, 0.0010735500000000 ] - [ 0.0000000000000000, 0.0004054000000000, 0.0008013200000000 ] - [ 0.0015237900000000, -0.0001528400000000, -0.0003305500000000 ] - [ -0.0001863600000000, 0.0000265100000000, -0.0000083100000000 ] - [ 0.0000000000000000, 0.0013696000000000, -0.0011138100000000 ] - [ 0.0000000000000000, 0.0008322300000000, -0.0011217900000000 ] - [ -0.0012357900000000, 0.0012147500000000, 0.0004531400000000 ] - [ 0.0000475300000000, -0.0004321000000000, -0.0001098300000000 ] - [ -0.0002713900000000, 0.0005066600000000, -0.0001478300000000 ] - [ 0.0000150800000000, 0.0001962200000000, -0.0004511400000000 ] - [ -0.0010924600000000, -0.0004708500000000, 0.0023277100000000 ] - [ 0.0001103100000000, 0.0000460700000000, 0.0004991700000000 ] - [ -0.0000715300000000, 0.0000427300000000, -0.0004704600000000 ] - [ -0.0002606300000000, 0.0004262800000000, -0.0005474500000000 ] - [ 0.0002713900000000, 0.0005066600000000, -0.0001478300000000 ] - [ -0.0000150800000000, 0.0001962200000000, -0.0004511400000000 ] - [ -0.0003442800000000, 0.0002628300000000, 0.0006817700000000 ] - [ 0.0001217000000000, 0.0005331300000000, 0.0000120500000000 ] - [ -0.0001072200000000, 0.0004857900000000, -0.0000683000000000 ] - [ -0.0001055500000000, 0.0005050200000000, -0.0000316200000000 ] - [ -0.0004027400000000, -0.0002348700000000, 0.0000469800000000 ] - [ -0.0001073200000000, 0.0001166200000000, 0.0000153400000000 ] - [ 0.0000715300000000, 0.0000427300000000, -0.0004704600000000 ] - [ 0.0002606300000000, 0.0004262800000000, -0.0005474500000000 ] - [ -0.0015237900000000, -0.0001528400000000, -0.0003305500000000 ] - [ 0.0001863600000000, 0.0000265100000000, -0.0000083100000000 ] - [ 0.0000000000000000, -0.0022995800000000, 0.0013182300000000 ] - [ 0.0000000000000000, 0.0000998400000000, -0.0006877800000000 ] - [ 0.0003442800000000, 0.0002628300000000, 0.0006817700000000 ] - [ -0.0001217000000000, 0.0005331300000000, 0.0000120500000000 ] - [ 0.0012357900000000, 0.0012147500000000, 0.0004531400000000 ] - [ -0.0000475300000000, -0.0004321000000000, -0.0001098300000000 ] - [ 0.0002788600000000, -0.0011335700000000, -0.0007473900000000 ] - [ 0.0000569200000000, -0.0004311800000000, 0.0000847300000000 ] - [ -0.0000797100000000, -0.0000156200000000, 0.0005090300000000 ] - [ -0.0000482100000000, -0.0001313100000000, 0.0004443000000000 ] - [ -0.0000428900000000, -0.0000020200000000, 0.0004811700000000 ] - [ -0.0000121400000000, 0.0001389800000000, 0.0004168500000000 ] - [ 0.0000000000000000, 0.0002450000000000, -0.0003536800000000 ] - [ 0.0000000000000000, 0.0003790300000000, -0.0003532500000000 ] - [ -0.0002788600000000, -0.0011335700000000, -0.0007473900000000 ] - [ -0.0000569200000000, -0.0004311800000000, 0.0000847300000000 ] - [ 0.0000428900000000, -0.0000020200000000, 0.0004811700000000 ] - [ 0.0000121400000000, 0.0001389800000000, 0.0004168500000000 ] - [ 0.0001232600000000, 0.0005152500000000, -0.0000278300000000 ] - [ 0.0003256700000000, 0.0005912300000000, 0.0001973900000000 ] - [ 0.0001481200000000, 0.0000170600000000, 0.0000121500000000 ] - [ -0.0012592900000000, -0.0002229300000000, -0.0001923700000000 ] - [ 0.0000000000000000, -0.0005426200000000, 0.0002099900000000 ] - [ 0.0000000000000000, -0.0000666400000000, 0.0005168600000000 ] - [ -0.0002516400000000, 0.0001254400000000, -0.0000133700000000 ] - [ 0.0000829300000000, -0.0001262000000000, -0.0000011300000000 ] - [ 0.0000000000000000, 0.0000483100000000, 0.0003889200000000 ] - [ 0.0000000000000000, 0.0005589100000000, 0.0000880800000000 ] - [ 0.0000746000000000, -0.0004762600000000, -0.0000409800000000 ] - [ 0.0000715900000000, -0.0004573900000000, -0.0000796800000000 ] - [ 0.0001039000000000, 0.0000074000000000, -0.0005220800000000 ] - [ 0.0000224900000000, 0.0001403600000000, -0.0004316200000000 ] - [ 0.0000797100000000, -0.0000156200000000, 0.0005090300000000 ] - [ 0.0000482100000000, -0.0001313100000000, 0.0004443000000000 ] - [ 0.0000168100000000, -0.0001413100000000, -0.0004139800000000 ] - [ -0.0000734400000000, -0.0000053100000000, -0.0004906600000000 ] - [ -0.0001039000000000, 0.0000074000000000, -0.0005220800000000 ] - [ -0.0000224900000000, 0.0001403600000000, -0.0004316200000000 ] - [ 0.0001038600000000, 0.0005096700000000, 0.0000384500000000 ] - [ 0.0000446800000000, 0.0004247900000000, 0.0000771300000000 ] - [ -0.0001232600000000, 0.0005152500000000, -0.0000278300000000 ] - [ -0.0003256700000000, 0.0005912300000000, 0.0001973900000000 ] - [ -0.0001481200000000, 0.0000170600000000, 0.0000121500000000 ] - [ 0.0012592900000000, -0.0002229300000000, -0.0001923700000000 ] - [ -0.0000168100000000, -0.0001413100000000, -0.0004139800000000 ] - [ 0.0000734400000000, -0.0000053100000000, -0.0004906600000000 ] - [ 0.0002516400000000, 0.0001254400000000, -0.0000133700000000 ] - [ -0.0000829300000000, -0.0001262000000000, -0.0000011300000000 ] - [ 0.0000000000000000, -0.0003154300000000, -0.0001650400000000 ] - [ 0.0000000000000000, -0.0002999100000000, -0.0003228500000000 ] - [ -0.0001038600000000, 0.0005096700000000, 0.0000384500000000 ] - [ -0.0000446800000000, 0.0004247900000000, 0.0000771300000000 ] - [ -0.0000746000000000, -0.0004762600000000, -0.0000409800000000 ] - [ -0.0000715900000000, -0.0004573900000000, -0.0000796800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005379400000000, -0.0011997900000000, -0.0016466000000000 ] - [ 0.0007951800000000, 0.0001683700000000, -0.0000711600000000 ] - [ 0.0000000000000000, -0.0015501400000000, -0.0009637900000000 ] - [ 0.0000000000000000, 0.0005638500000000, -0.0000215200000000 ] - [ 0.0000000000000000, -0.0014843400000000, -0.0016116300000000 ] - [ 0.0000000000000000, 0.0004275300000000, -0.0002973500000000 ] - [ 0.0000000000000000, -0.0067694500000000, -0.0143551600000000 ] - [ 0.0000000000000000, 0.0002714500000000, 0.0001669100000000 ] - [ 0.0000000000000000, 0.0003099900000000, -0.0008210500000000 ] - [ 0.0000000000000000, -0.0017436300000000, 0.0000308900000000 ] - [ -0.0004515200000000, -0.0000397500000000, -0.0000596500000000 ] - [ -0.0004879900000000, 0.0001261800000000, -0.0000116600000000 ] - [ 0.0000000000000000, 0.0008330500000000, 0.0021259700000000 ] - [ 0.0000000000000000, 0.0001703200000000, 0.0003095000000000 ] - [ 0.0000000000000000, -0.0012768500000000, 0.0023549900000000 ] - [ 0.0000000000000000, 0.0001709900000000, -0.0001729600000000 ] - [ 0.0000000000000000, 0.0004734900000000, 0.0000055600000000 ] - [ 0.0000000000000000, 0.0018287300000000, 0.0003574200000000 ] - [ 0.0004515200000000, -0.0000397500000000, -0.0000596500000000 ] - [ 0.0004879900000000, 0.0001261800000000, -0.0000116600000000 ] - [ 0.0000000000000000, -0.0115315200000000, -0.0445081100000000 ] - [ 0.0000000000000000, 0.0003423500000000, 0.0003169300000000 ] - [ -0.0005379400000000, -0.0011997900000000, -0.0016466000000000 ] - [ -0.0007951800000000, 0.0001683700000000, -0.0000711600000000 ] - [ 0.0008545400000000, 0.0001214500000000, 0.0000191600000000 ] - [ 0.0005164300000000, -0.0001165200000000, -0.0000213800000000 ] - [ 0.0000000000000000, 0.0002260700000000, 0.0001349200000000 ] - [ 0.0000000000000000, 0.0002370500000000, 0.0001235900000000 ] - [ 0.0000000000000000, -0.0005459600000000, -0.0001544600000000 ] - [ 0.0000000000000000, 0.0000691400000000, -0.0000956500000000 ] - [ 0.0000000000000000, -0.0001276900000000, -0.0000251000000000 ] - [ 0.0000000000000000, -0.0000356400000000, 0.0000353600000000 ] - [ 0.0000000000000000, -0.0001913900000000, -0.0002375700000000 ] - [ 0.0000000000000000, 0.0002454500000000, -0.0001765200000000 ] - [ -0.0004429700000000, 0.0001591600000000, 0.0001003800000000 ] - [ -0.0012056000000000, -0.0012207000000000, -0.0002684100000000 ] - [ 0.0000000000000000, -0.0003256400000000, 0.0000514300000000 ] - [ 0.0000000000000000, 0.0000542600000000, 0.0000007800000000 ] - [ 0.0000000000000000, -0.0001398600000000, 0.0002723400000000 ] - [ 0.0000000000000000, 0.0000346900000000, 0.0001401600000000 ] - [ 0.0000000000000000, -0.0002394300000000, 0.0000513400000000 ] - [ 0.0000000000000000, 0.0003792700000000, -0.0000451000000000 ] - [ 0.0004429700000000, 0.0001591600000000, 0.0001003800000000 ] - [ 0.0012056000000000, -0.0012207000000000, -0.0002684100000000 ] - [ 0.0000000000000000, 0.0002033900000000, -0.0000247000000000 ] - [ 0.0000000000000000, 0.0000854500000000, -0.0000212900000000 ] - [ -0.0008545400000000, 0.0001214500000000, 0.0000191600000000 ] - [ -0.0005164300000000, -0.0001165200000000, -0.0000213800000000 ] - [ 0.0000233900000000, -0.0004060200000000, 0.0001102400000000 ] - [ 0.0001058200000000, -0.0005108300000000, 0.0000342300000000 ] - [ -0.0012197500000000, 0.0003361700000000, -0.0014447700000000 ] - [ 0.0000183200000000, -0.0001943500000000, 0.0004222900000000 ] - [ 0.0012186500000000, -0.0019824300000000, -0.0014291300000000 ] - [ -0.0001154200000000, -0.0000479500000000, 0.0005021300000000 ] - [ 0.0000000000000000, 0.0325238700000000, 0.0688896300000000 ] - [ 0.0000000000000000, -0.0001026200000000, -0.0006948800000000 ] - [ -0.0000233900000000, -0.0004060200000000, 0.0001102400000000 ] - [ -0.0001058200000000, -0.0005108300000000, 0.0000342300000000 ] - [ -0.0012186500000000, -0.0019824300000000, -0.0014291300000000 ] - [ 0.0001154200000000, -0.0000479500000000, 0.0005021300000000 ] - [ 0.0000691900000000, 0.0004739100000000, -0.0000429000000000 ] - [ 0.0000697400000000, 0.0004549800000000, -0.0000803100000000 ] - [ -0.0004930700000000, 0.0002363400000000, -0.0000480900000000 ] - [ -0.0001967700000000, -0.0001174900000000, -0.0000156100000000 ] - [ 0.0000000000000000, -0.0008614300000000, -0.0004772300000000 ] - [ 0.0000000000000000, -0.0010339900000000, -0.0002006800000000 ] - [ -0.0016199700000000, 0.0001552800000000, 0.0003344200000000 ] - [ 0.0000974100000000, -0.0000275400000000, 0.0000079600000000 ] - [ 0.0000000000000000, -0.0007520900000000, 0.0017359500000000 ] - [ 0.0000000000000000, -0.0002112200000000, 0.0017274000000000 ] - [ 0.0014418300000000, -0.0021975200000000, -0.0005552200000000 ] - [ 0.0001278700000000, -0.0005284200000000, -0.0000005700000000 ] - [ 0.0003687100000000, -0.0003591500000000, -0.0007776300000000 ] - [ 0.0000766200000000, -0.0000475800000000, -0.0004707300000000 ] - [ 0.0012197500000000, 0.0003361700000000, -0.0014447700000000 ] - [ -0.0000183200000000, -0.0001943500000000, 0.0004222900000000 ] - [ -0.0000229700000000, -0.0001930200000000, -0.0004504500000000 ] - [ 0.0001707700000000, -0.0005739600000000, -0.0003728400000000 ] - [ -0.0003687100000000, -0.0003591500000000, -0.0007776300000000 ] - [ -0.0000766200000000, -0.0000475800000000, -0.0004707300000000 ] - [ 0.0005251200000000, 0.0006982800000000, -0.0005746200000000 ] - [ 0.0000523600000000, 0.0004260000000000, 0.0000983900000000 ] - [ -0.0000691900000000, 0.0004739100000000, -0.0000429000000000 ] - [ -0.0000697400000000, 0.0004549800000000, -0.0000803100000000 ] - [ 0.0004930700000000, 0.0002363400000000, -0.0000480900000000 ] - [ 0.0001967700000000, -0.0001174900000000, -0.0000156100000000 ] - [ 0.0000229700000000, -0.0001930200000000, -0.0004504500000000 ] - [ -0.0001707700000000, -0.0005739600000000, -0.0003728400000000 ] - [ 0.0016199700000000, 0.0001552800000000, 0.0003344200000000 ] - [ -0.0000974100000000, -0.0000275400000000, 0.0000079600000000 ] - [ 0.0000000000000000, 0.0016935400000000, -0.0019390500000000 ] - [ 0.0000000000000000, -0.0007273800000000, 0.0000829500000000 ] - [ -0.0005251200000000, 0.0006982800000000, -0.0005746200000000 ] - [ -0.0000523600000000, 0.0004260000000000, 0.0000983900000000 ] - [ -0.0014418300000000, -0.0021975200000000, -0.0005552200000000 ] - [ -0.0001278700000000, -0.0005284200000000, -0.0000005700000000 ] - [ -0.0000961900000000, 0.0001616900000000, 0.0008531300000000 ] - [ 0.0001208200000000, -0.0005290800000000, 0.0000274200000000 ] - [ -0.0000127200000000, -0.0001344700000000, 0.0004117500000000 ] - [ -0.0000471100000000, -0.0000186000000000, 0.0004752500000000 ] - [ -0.0000498500000000, 0.0001520600000000, 0.0004393800000000 ] - [ -0.0000812700000000, 0.0000093400000000, 0.0005048100000000 ] - [ 0.0000000000000000, 0.0003822800000000, -0.0002513000000000 ] - [ 0.0000000000000000, 0.0002458700000000, -0.0002509000000000 ] - [ 0.0000961900000000, 0.0001616900000000, 0.0008531300000000 ] - [ -0.0001208200000000, -0.0005290800000000, 0.0000274200000000 ] - [ 0.0000498500000000, 0.0001520600000000, 0.0004393800000000 ] - [ 0.0000812700000000, 0.0000093400000000, 0.0005048100000000 ] - [ 0.0000537700000000, 0.0004448400000000, -0.0000855900000000 ] - [ -0.0001520300000000, 0.0003676400000000, -0.0003124900000000 ] - [ -0.0002360200000000, -0.0000168200000000, -0.0000126300000000 ] - [ 0.0011779300000000, 0.0002254900000000, 0.0001914800000000 ] - [ 0.0000000000000000, -0.0000822000000000, 0.0003933200000000 ] - [ 0.0000000000000000, -0.0005605200000000, 0.0000862400000000 ] - [ 0.0001654100000000, -0.0001258200000000, 0.0000132800000000 ] - [ -0.0001698200000000, 0.0001263100000000, 0.0000013500000000 ] - [ 0.0000000000000000, 0.0005787900000000, 0.0002196100000000 ] - [ 0.0000000000000000, 0.0000648100000000, 0.0005207800000000 ] - [ 0.0001038500000000, -0.0004843200000000, -0.0000729400000000 ] - [ 0.0001040900000000, -0.0005017900000000, -0.0000325400000000 ] - [ -0.0000083500000000, 0.0001425100000000, -0.0003968200000000 ] - [ 0.0000703300000000, 0.0000088900000000, -0.0004898200000000 ] - [ 0.0000127200000000, -0.0001344700000000, 0.0004117500000000 ] - [ 0.0000471100000000, -0.0000186000000000, 0.0004752500000000 ] - [ -0.0001103700000000, -0.0000071500000000, -0.0005095000000000 ] - [ -0.0000190300000000, -0.0001440500000000, -0.0004306900000000 ] - [ 0.0000083500000000, 0.0001425100000000, -0.0003968200000000 ] - [ -0.0000703300000000, 0.0000088900000000, -0.0004898200000000 ] - [ 0.0000719800000000, 0.0004499900000000, 0.0000733600000000 ] - [ 0.0001348500000000, 0.0005365000000000, 0.0000352300000000 ] - [ -0.0000537700000000, 0.0004448400000000, -0.0000855900000000 ] - [ 0.0001520300000000, 0.0003676400000000, -0.0003124900000000 ] - [ 0.0002360200000000, -0.0000168200000000, -0.0000126300000000 ] - [ -0.0011779300000000, 0.0002254900000000, 0.0001914800000000 ] - [ 0.0001103700000000, -0.0000071500000000, -0.0005095000000000 ] - [ 0.0000190300000000, -0.0001440500000000, -0.0004306900000000 ] - [ -0.0001654100000000, -0.0001258200000000, 0.0000132800000000 ] - [ 0.0001698200000000, 0.0001263100000000, 0.0000013500000000 ] - [ 0.0000000000000000, -0.0003093100000000, -0.0004454500000000 ] - [ 0.0000000000000000, -0.0003258600000000, -0.0002843200000000 ] - [ -0.0000719800000000, 0.0004499900000000, 0.0000733600000000 ] - [ -0.0001348500000000, 0.0005365000000000, 0.0000352300000000 ] - [ -0.0001038500000000, -0.0004843200000000, -0.0000729400000000 ] - [ -0.0001040900000000, -0.0005017900000000, -0.0000325400000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021292800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008777300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008453700000000, 0.0006752900000000, 0.0002203500000000 ] - [ -0.0000045100000000, 0.0000600700000000, 0.0001196700000000 ] - [ -0.0008453700000000, -0.0006752900000000, -0.0002203500000000 ] - [ -0.0000045100000000, -0.0000600700000000, -0.0001196700000000 ] - [ -0.0005789100000000, 0.0008893400000000, 0.0000859700000000 ] - [ 0.0000272900000000, -0.0002520500000000, 0.0000024500000000 ] - [ -0.0007958300000000, -0.0001925800000000, -0.0003877300000000 ] - [ -0.0000529000000000, 0.0001528700000000, -0.0002421700000000 ] - [ 0.0894974000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003971500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005452500000000, -0.0001322900000000, 0.0007520400000000 ] - [ -0.0000078800000000, -0.0000688500000000, 0.0000152800000000 ] - [ -0.0007958300000000, 0.0001925800000000, 0.0003877300000000 ] - [ -0.0000529000000000, -0.0001528700000000, 0.0002421700000000 ] - [ -0.0005789100000000, -0.0008893400000000, -0.0000859700000000 ] - [ 0.0000272900000000, 0.0002520500000000, -0.0000024500000000 ] - [ -0.0027456100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004063100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005452500000000, 0.0001322900000000, -0.0007520400000000 ] - [ -0.0000078800000000, 0.0000688500000000, -0.0000152800000000 ] - [ -0.0016824900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008822300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000941900000000, 0.0001233600000000, -0.0000998400000000 ] - [ 0.0000941900000000, -0.0001233600000000, 0.0000998400000000 ] - [ -0.0000212700000000, 0.0009392900000000, -0.0001162300000000 ] - [ -0.0000047100000000, -0.0000302200000000, 0.0001434300000000 ] - [ -0.0000212700000000, -0.0009392900000000, 0.0001162300000000 ] - [ -0.0000047100000000, 0.0000302200000000, -0.0001434300000000 ] - [ 0.0028253800000000, -0.0003161100000000, -0.0000807300000000 ] - [ 0.0000058500000000, -0.0002660300000000, 0.0000174700000000 ] - [ 0.0028324200000000, 0.0002777800000000, -0.0002653600000000 ] - [ 0.0000081400000000, 0.0001196100000000, -0.0001825400000000 ] - [ -0.0012876000000000, 0.0000447000000000, -0.0000218400000000 ] - [ -0.0012876000000000, -0.0000447000000000, 0.0000218400000000 ] - [ -0.0000579600000000, -0.0003409000000000, -0.0008540500000000 ] - [ 0.0000318500000000, 0.0000188800000000, 0.0000894400000000 ] - [ 0.0028324200000000, -0.0002777800000000, 0.0002653600000000 ] - [ 0.0000081400000000, -0.0001196100000000, 0.0001825400000000 ] - [ 0.0028253800000000, 0.0003161100000000, 0.0000807300000000 ] - [ 0.0000058500000000, 0.0002660300000000, -0.0000174700000000 ] - [ 0.0015097000000000, -0.0008059200000000, 0.0004275100000000 ] - [ 0.0015097000000000, 0.0008059200000000, -0.0004275100000000 ] - [ -0.0000579600000000, 0.0003409000000000, 0.0008540500000000 ] - [ 0.0000318500000000, -0.0000188800000000, -0.0000894400000000 ] - [ -0.0000470300000000, 0.0000710000000000, -0.0000790300000000 ] - [ -0.0000470300000000, -0.0000710000000000, 0.0000790300000000 ] - [ 0.0006555700000000, -0.0006816900000000, -0.0003959900000000 ] - [ 0.0000846100000000, -0.0004852600000000, 0.0000557000000000 ] - [ 0.0001970900000000, -0.0001694600000000, 0.0003714800000000 ] - [ -0.0000361700000000, -0.0000700000000000, 0.0004509300000000 ] - [ -0.0000490900000000, 0.0000453700000000, 0.0004229600000000 ] - [ 0.0000392600000000, 0.0001690900000000, 0.0004325500000000 ] - [ 0.0005746200000000, -0.0004583800000000, 0.0001455300000000 ] - [ -0.0000058100000000, 0.0004908000000000, -0.0001473000000000 ] - [ 0.0014467200000000, -0.0016368300000000, -0.0029746700000000 ] - [ -0.0000887200000000, -0.0004868400000000, 0.0000524500000000 ] - [ 0.0005882900000000, -0.0004121300000000, 0.0008176000000000 ] - [ 0.0000552200000000, 0.0002687300000000, 0.0003659600000000 ] - [ 0.0006555700000000, 0.0006816900000000, 0.0003959900000000 ] - [ 0.0000846100000000, 0.0004852600000000, -0.0000557000000000 ] - [ -0.1076151200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002966000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005746200000000, 0.0004583800000000, -0.0001455300000000 ] - [ -0.0000058100000000, -0.0004908000000000, 0.0001473000000000 ] - [ 0.0012082900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001876100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000407500000000, 0.0005284200000000, 0.0001746900000000 ] - [ -0.0000000200000000, 0.0001743600000000, 0.0005093500000000 ] - [ 0.0006447200000000, -0.0007465100000000, 0.0002206600000000 ] - [ 0.0000833400000000, -0.0004752600000000, -0.0000467300000000 ] - [ 0.0001009700000000, 0.0000062700000000, -0.0004403400000000 ] - [ 0.0000380700000000, 0.0000670100000000, -0.0004514800000000 ] - [ 0.0001009700000000, -0.0000062700000000, 0.0004403400000000 ] - [ 0.0000380700000000, -0.0000670100000000, 0.0004514800000000 ] - [ -0.0000490900000000, -0.0000453700000000, -0.0004229600000000 ] - [ 0.0000392600000000, -0.0001690900000000, -0.0004325500000000 ] - [ 0.0001970900000000, 0.0001694600000000, -0.0003714800000000 ] - [ -0.0000361700000000, 0.0000700000000000, -0.0004509300000000 ] - [ 0.0006447200000000, 0.0007465100000000, -0.0002206600000000 ] - [ 0.0000833400000000, 0.0004752600000000, 0.0000467300000000 ] - [ 0.0014467200000000, 0.0016368300000000, 0.0029746700000000 ] - [ -0.0000887200000000, 0.0004868400000000, -0.0000524500000000 ] - [ 0.0020930700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002802700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005882900000000, 0.0004121300000000, -0.0008176000000000 ] - [ 0.0000552200000000, -0.0002687300000000, -0.0003659600000000 ] - [ -0.0010780900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001794400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000407500000000, -0.0005284200000000, -0.0001746900000000 ] - [ -0.0000000200000000, -0.0001743600000000, -0.0005093500000000 ] - [ -0.0000113900000000, 0.0004193500000000, 0.0001308700000000 ] - [ -0.0000806200000000, 0.0004734200000000, 0.0000520600000000 ] - [ -0.0000113900000000, -0.0004193500000000, -0.0001308700000000 ] - [ -0.0000806200000000, -0.0004734200000000, -0.0000520600000000 ] - [ 0.0001475600000000, -0.0004791400000000, -0.0000258000000000 ] - [ 0.0000702300000000, -0.0004505900000000, 0.0000711700000000 ] - [ -0.0000303500000000, -0.0001701700000000, 0.0004878200000000 ] - [ -0.0000968800000000, 0.0000246400000000, 0.0004870900000000 ] - [ 0.0014962100000000, -0.0029752800000000, 0.0016139500000000 ] - [ -0.0000459900000000, 0.0000734800000000, 0.0004691400000000 ] - [ -0.0003280000000000, -0.0012649100000000, -0.0015233500000000 ] - [ -0.0000002800000000, 0.0004528400000000, -0.0001084700000000 ] - [ -0.0000112600000000, -0.0005425800000000, 0.0001066500000000 ] - [ 0.0000938700000000, -0.0003162100000000, 0.0001019600000000 ] - [ 0.0006171000000000, -0.0003737100000000, 0.0006561500000000 ] - [ 0.0000407700000000, 0.0000756600000000, 0.0004658500000000 ] - [ 0.0001475600000000, 0.0004791400000000, 0.0000258000000000 ] - [ 0.0000702300000000, 0.0004505900000000, -0.0000711700000000 ] - [ 0.0006983000000000, -0.0001377400000000, -0.0000165500000000 ] - [ 0.0006983000000000, 0.0001377400000000, 0.0000165500000000 ] - [ -0.0003280000000000, 0.0012649100000000, 0.0015233500000000 ] - [ -0.0000002800000000, -0.0004528400000000, 0.0001084700000000 ] - [ -0.0006139800000000, 0.0000584400000000, 0.0000027500000000 ] - [ -0.0006139800000000, -0.0000584400000000, -0.0000027500000000 ] - [ -0.0003327100000000, 0.0015052400000000, -0.0012733100000000 ] - [ 0.0000013500000000, 0.0001465600000000, 0.0004432900000000 ] - [ 0.0000670400000000, -0.0004613700000000, -0.0000777600000000 ] - [ 0.0001212400000000, -0.0005342200000000, -0.0000273900000000 ] - [ 0.0000112200000000, 0.0001707700000000, -0.0004629500000000 ] - [ 0.0000894900000000, -0.0000222200000000, -0.0004897400000000 ] - [ 0.0000112200000000, -0.0001707700000000, 0.0004629500000000 ] - [ 0.0000894900000000, 0.0000222200000000, 0.0004897400000000 ] - [ 0.0014962100000000, 0.0029752800000000, -0.0016139500000000 ] - [ -0.0000459900000000, -0.0000734800000000, -0.0004691400000000 ] - [ -0.0000303500000000, 0.0001701700000000, -0.0004878200000000 ] - [ -0.0000968800000000, -0.0000246400000000, -0.0004870900000000 ] - [ 0.0000670400000000, 0.0004613700000000, 0.0000777600000000 ] - [ 0.0001212400000000, 0.0005342200000000, 0.0000273900000000 ] - [ -0.0000112600000000, 0.0005425800000000, -0.0001066500000000 ] - [ 0.0000938700000000, 0.0003162100000000, -0.0001019600000000 ] - [ -0.0006293900000000, -0.0000161300000000, -0.0000224700000000 ] - [ -0.0006293900000000, 0.0000161300000000, 0.0000224700000000 ] - [ 0.0006171000000000, 0.0003737100000000, -0.0006561500000000 ] - [ 0.0000407700000000, -0.0000756600000000, -0.0004658500000000 ] - [ 0.0005857600000000, 0.0000432000000000, 0.0000005200000000 ] - [ 0.0005857600000000, -0.0000432000000000, -0.0000005200000000 ] - [ -0.0003327100000000, -0.0015052400000000, 0.0012733100000000 ] - [ 0.0000013500000000, -0.0001465600000000, -0.0004432900000000 ] - [ -0.0000806700000000, 0.0004633100000000, 0.0000683200000000 ] - [ -0.0001352300000000, 0.0005535400000000, 0.0000355200000000 ] - [ -0.0000806700000000, -0.0004633100000000, -0.0000683200000000 ] - [ -0.0001352300000000, -0.0005535400000000, -0.0000355200000000 ]- atom: 63 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008461000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004063100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008438200000000, -0.0003703100000000, -0.0000726800000000 ] - [ 0.0000023200000000, 0.0002467000000000, 0.0000233600000000 ] - [ 0.0008438200000000, 0.0003703100000000, 0.0000726800000000 ] - [ 0.0000023200000000, -0.0002467000000000, -0.0000233600000000 ] - [ 0.0005732700000000, -0.0012039700000000, 0.0000499200000000 ] - [ -0.0000292500000000, -0.0000583000000000, 0.0001393700000000 ] - [ 0.0007920200000000, 0.0003749200000000, 0.0002051500000000 ] - [ 0.0000501100000000, 0.0000360900000000, 0.0000617900000000 ] - [ -0.0864027900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008907800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005425500000000, -0.0000541800000000, -0.0009260700000000 ] - [ 0.0000054000000000, -0.0001171700000000, -0.0001940400000000 ] - [ 0.0007920200000000, -0.0003749200000000, -0.0002051500000000 ] - [ 0.0000501100000000, -0.0000360900000000, -0.0000617900000000 ] - [ 0.0005732700000000, 0.0012039700000000, -0.0000499200000000 ] - [ -0.0000292500000000, 0.0000583000000000, -0.0001393700000000 ] - [ 0.0040157800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008839300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005425500000000, 0.0000541800000000, 0.0009260700000000 ] - [ 0.0000054000000000, 0.0001171700000000, 0.0001940400000000 ] - [ 0.0003947900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004043600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0011967000000000, -0.0001231500000000, 0.0000992500000000 ] - [ 0.0011967000000000, 0.0001231500000000, -0.0000992500000000 ] - [ 0.0000232100000000, -0.0006269400000000, 0.0002585500000000 ] - [ 0.0000065300000000, 0.0003393600000000, -0.0000012400000000 ] - [ 0.0000232100000000, 0.0006269400000000, -0.0002585500000000 ] - [ 0.0000065300000000, -0.0003393600000000, 0.0000012400000000 ] - [ -0.0027661100000000, -0.0000273700000000, 0.0002058200000000 ] - [ -0.0000045900000000, -0.0000454700000000, 0.0001229400000000 ] - [ -0.0027729600000000, -0.0000779900000000, 0.0000616800000000 ] - [ -0.0000067900000000, 0.0000664100000000, 0.0000044800000000 ] - [ -0.0000068300000000, -0.0000455400000000, 0.0000222800000000 ] - [ -0.0000068300000000, 0.0000455400000000, -0.0000222800000000 ] - [ 0.0000592000000000, 0.0001570800000000, 0.0006762200000000 ] - [ -0.0000292300000000, -0.0002044800000000, -0.0002635700000000 ] - [ -0.0027729600000000, 0.0000779900000000, -0.0000616800000000 ] - [ -0.0000067900000000, -0.0000664100000000, -0.0000044800000000 ] - [ -0.0027661100000000, 0.0000273700000000, -0.0002058200000000 ] - [ -0.0000045900000000, 0.0000454700000000, -0.0001229400000000 ] - [ -0.0002228200000000, 0.0008018300000000, -0.0004292400000000 ] - [ -0.0002228200000000, -0.0008018300000000, 0.0004292400000000 ] - [ 0.0000592000000000, -0.0001570800000000, -0.0006762200000000 ] - [ -0.0000292300000000, 0.0002044800000000, 0.0002635700000000 ] - [ -0.0012394500000000, -0.0000718700000000, 0.0000792600000000 ] - [ -0.0012394500000000, 0.0000718700000000, -0.0000792600000000 ] - [ -0.0004828700000000, -0.0002796100000000, 0.0004991600000000 ] - [ 0.0000845700000000, -0.0004753000000000, 0.0000506100000000 ] - [ -0.0002872200000000, 0.0000258400000000, 0.0005490500000000 ] - [ -0.0000491800000000, -0.0000731200000000, 0.0004713100000000 ] - [ -0.0000388000000000, 0.0000964500000000, 0.0004980300000000 ] - [ -0.0001253600000000, -0.0000256100000000, 0.0004880100000000 ] - [ -0.0005834700000000, 0.0010931100000000, -0.0007526300000000 ] - [ 0.0000047200000000, 0.0001342000000000, -0.0004537100000000 ] - [ -0.0016136100000000, 0.0006525900000000, 0.0030149300000000 ] - [ -0.0000819200000000, -0.0004744600000000, 0.0000529100000000 ] - [ -0.0005000400000000, 0.0005498300000000, 0.0001023100000000 ] - [ 0.0000303100000000, -0.0001276200000000, 0.0005551700000000 ] - [ -0.0004828700000000, 0.0002796100000000, -0.0004991600000000 ] - [ 0.0000845700000000, 0.0004753000000000, -0.0000506100000000 ] - [ 0.1029800600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001985900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005834700000000, -0.0010931100000000, 0.0007526300000000 ] - [ 0.0000047200000000, -0.0001342000000000, 0.0004537100000000 ] - [ -0.0013023400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002806100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000404700000000, 0.0000934100000000, 0.0004301100000000 ] - [ -0.0000009400000000, 0.0004477300000000, 0.0000955400000000 ] - [ -0.0004709200000000, -0.0002131000000000, -0.0003246000000000 ] - [ 0.0000858300000000, -0.0004852100000000, -0.0000558100000000 ] - [ -0.0000109300000000, 0.0001362600000000, -0.0004800500000000 ] - [ 0.0000474100000000, 0.0000741100000000, -0.0004711000000000 ] - [ -0.0000109300000000, -0.0001362600000000, 0.0004800500000000 ] - [ 0.0000474100000000, -0.0000741100000000, 0.0004711000000000 ] - [ -0.0000388000000000, -0.0000964500000000, -0.0004980300000000 ] - [ -0.0001253600000000, 0.0000256100000000, -0.0004880100000000 ] - [ -0.0002872200000000, -0.0000258400000000, -0.0005490500000000 ] - [ -0.0000491800000000, 0.0000731200000000, -0.0004713100000000 ] - [ -0.0004709200000000, 0.0002131000000000, 0.0003246000000000 ] - [ 0.0000858300000000, 0.0004852100000000, 0.0000558100000000 ] - [ -0.0016136100000000, -0.0006525900000000, -0.0030149300000000 ] - [ -0.0000819200000000, 0.0004744600000000, -0.0000529100000000 ] - [ -0.0019942000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001880800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005000400000000, -0.0005498300000000, -0.0001023100000000 ] - [ 0.0000303100000000, 0.0001276200000000, -0.0005551700000000 ] - [ 0.0011728500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002780800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000404700000000, -0.0000934100000000, -0.0004301100000000 ] - [ -0.0000009400000000, -0.0004477300000000, -0.0000955400000000 ] - [ -0.0001631600000000, 0.0005410100000000, -0.0000252100000000 ] - [ -0.0000883900000000, 0.0004858200000000, 0.0000524200000000 ] - [ -0.0001631600000000, -0.0005410100000000, 0.0000252100000000 ] - [ -0.0000883900000000, -0.0004858200000000, -0.0000524200000000 ] - [ 0.0000237700000000, -0.0004818200000000, 0.0001278100000000 ] - [ 0.0001001400000000, -0.0005114800000000, 0.0000322900000000 ] - [ -0.0000596700000000, 0.0000282100000000, 0.0004325200000000 ] - [ 0.0000082200000000, -0.0001677700000000, 0.0004328800000000 ] - [ -0.0015784600000000, 0.0030528400000000, -0.0006692600000000 ] - [ -0.0000412700000000, 0.0000689700000000, 0.0004512800000000 ] - [ 0.0003241300000000, 0.0018790800000000, 0.0009163200000000 ] - [ 0.0000007000000000, 0.0001728800000000, -0.0004926500000000 ] - [ -0.0001590800000000, -0.0004173000000000, -0.0000010400000000 ] - [ -0.0002647600000000, -0.0006449900000000, 0.0000032600000000 ] - [ -0.0005291500000000, 0.0005147700000000, 0.0002650600000000 ] - [ 0.0000447800000000, 0.0000681100000000, 0.0004544800000000 ] - [ 0.0000237700000000, 0.0004818200000000, -0.0001278100000000 ] - [ 0.0001001400000000, 0.0005114800000000, -0.0000322900000000 ] - [ -0.0007930000000000, 0.0001371300000000, 0.0000165600000000 ] - [ -0.0007930000000000, -0.0001371300000000, -0.0000165600000000 ] - [ 0.0003241300000000, -0.0018790800000000, -0.0009163200000000 ] - [ 0.0000007000000000, -0.0001728800000000, 0.0004926500000000 ] - [ 0.0005168200000000, -0.0000583600000000, -0.0000026400000000 ] - [ 0.0005168200000000, 0.0000583600000000, 0.0000026400000000 ] - [ 0.0003288100000000, -0.0008773400000000, 0.0018704200000000 ] - [ -0.0000007400000000, 0.0004772500000000, 0.0001617800000000 ] - [ 0.0001053400000000, -0.0004987300000000, -0.0000293100000000 ] - [ 0.0000505500000000, -0.0004259600000000, -0.0000803600000000 ] - [ 0.0000768000000000, -0.0000263600000000, -0.0004560600000000 ] - [ -0.0000021400000000, 0.0001674700000000, -0.0004297800000000 ] - [ 0.0000768000000000, 0.0000263600000000, 0.0004560600000000 ] - [ -0.0000021400000000, -0.0001674700000000, 0.0004297800000000 ] - [ -0.0015784600000000, -0.0030528400000000, 0.0006692600000000 ] - [ -0.0000412700000000, -0.0000689700000000, -0.0004512800000000 ] - [ -0.0000596700000000, -0.0000282100000000, -0.0004325200000000 ] - [ 0.0000082200000000, 0.0001677700000000, -0.0004328800000000 ] - [ 0.0001053400000000, 0.0004987300000000, 0.0000293100000000 ] - [ 0.0000505500000000, 0.0004259600000000, 0.0000803600000000 ] - [ -0.0001590800000000, 0.0004173000000000, 0.0000010400000000 ] - [ -0.0002647600000000, 0.0006449900000000, -0.0000032600000000 ] - [ 0.0007298300000000, 0.0000176200000000, 0.0000224600000000 ] - [ 0.0007298300000000, -0.0000176200000000, -0.0000224600000000 ] - [ -0.0005291500000000, -0.0005147700000000, -0.0002650600000000 ] - [ 0.0000447800000000, -0.0000681100000000, -0.0004544800000000 ] - [ -0.0004937600000000, -0.0000436700000000, -0.0000003900000000 ] - [ -0.0004937600000000, 0.0000436700000000, 0.0000003900000000 ] - [ 0.0003288100000000, 0.0008773400000000, -0.0018704200000000 ] - [ -0.0000007400000000, -0.0004772500000000, -0.0001617800000000 ] - [ -0.0000931000000000, 0.0004978000000000, 0.0000360600000000 ] - [ -0.0000379400000000, 0.0004072200000000, 0.0000705800000000 ] - [ -0.0000931000000000, -0.0004978000000000, -0.0000360600000000 ] - [ -0.0000379400000000, -0.0004072200000000, -0.0000705800000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006372000000000, 0.0002447800000000, -0.0001962200000000 ] - [ 0.0006415300000000, -0.0000416900000000, 0.0000174300000000 ] - [ 0.0001240100000000, 0.0001634400000000, 0.0000547000000000 ] - [ -0.0000005700000000, 0.0000543200000000, 0.0000963500000000 ] - [ -0.0001247400000000, -0.0001383700000000, -0.0000892300000000 ] - [ 0.0000009000000000, -0.0002516400000000, -0.0000460100000000 ] - [ 0.0003129600000000, -0.0001704600000000, 0.0003242500000000 ] - [ 0.0000311800000000, -0.0002125500000000, 0.0000542100000000 ] - [ -0.0004480000000000, -0.0000392100000000, -0.0004679100000000 ] - [ 0.0000374600000000, 0.0000448500000000, -0.0000188800000000 ] - [ -0.0007815300000000, 0.0160036100000000, 0.0002366000000000 ] - [ -0.0006469600000000, -0.0000366200000000, 0.0000055500000000 ] - [ 0.0000274400000000, 0.0001244200000000, 0.0001207700000000 ] - [ 0.0000001300000000, -0.0001551200000000, -0.0001662700000000 ] - [ 0.0004546900000000, -0.0002256300000000, -0.0002972000000000 ] - [ -0.0000367900000000, -0.0001397500000000, 0.0001550900000000 ] - [ -0.0003103300000000, 0.0001419300000000, 0.0001821500000000 ] - [ -0.0000316300000000, 0.0000967800000000, -0.0000874300000000 ] - [ 0.0006572500000000, 0.0002171900000000, 0.0000136200000000 ] - [ 0.0006434700000000, -0.0000257500000000, 0.0000012700000000 ] - [ -0.0000280700000000, 0.0003100600000000, 0.0002976400000000 ] - [ -0.0000001400000000, 0.0000324400000000, 0.0000127200000000 ] - [ -0.0006419500000000, 0.0000319000000000, -0.0000104200000000 ] - [ -0.0006412800000000, -0.0000407900000000, 0.0000149700000000 ] - [ 0.0005954700000000, 0.0000062700000000, -0.0000040100000000 ] - [ 0.0006975200000000, 0.0000062500000000, -0.0000041200000000 ] - [ 0.0000423000000000, 0.0002625300000000, 0.0000939500000000 ] - [ -0.0000000500000000, 0.0001330800000000, 0.0000617400000000 ] - [ -0.0000420900000000, -0.0000397300000000, -0.0000486700000000 ] - [ -0.0000000900000000, -0.0001745000000000, -0.0000802800000000 ] - [ 0.0011657900000000, -0.0019499900000000, -0.0006937600000000 ] - [ -0.0000051300000000, -0.0001961200000000, 0.0000714400000000 ] - [ -0.0005190000000000, -0.0004519100000000, 0.0006254900000000 ] - [ 0.0000027200000000, 0.0000597200000000, -0.0000869700000000 ] - [ -0.0007141300000000, 0.0000368900000000, 0.0000160600000000 ] - [ -0.0005664200000000, 0.0000378400000000, 0.0000162000000000 ] - [ 0.0000228200000000, -0.0000949600000000, 0.0000238300000000 ] - [ 0.0000332300000000, -0.0001362600000000, -0.0000730500000000 ] - [ 0.0005093100000000, -0.0006387900000000, 0.0007936800000000 ] - [ -0.0000054600000000, -0.0001271300000000, 0.0000907300000000 ] - [ -0.0011745800000000, -0.0016292000000000, -0.0008344200000000 ] - [ 0.0000025100000000, 0.0001071000000000, -0.0000719200000000 ] - [ 0.0007516700000000, -0.0003771000000000, 0.0002018800000000 ] - [ 0.0005299600000000, -0.0003810800000000, 0.0002045100000000 ] - [ -0.0000226200000000, 0.0000877500000000, 0.0001902400000000 ] - [ -0.0000336800000000, 0.0000463500000000, 0.0000974500000000 ] - [ -0.0005814900000000, -0.0000372000000000, 0.0000387500000000 ] - [ -0.0007119200000000, -0.0000373700000000, 0.0000390200000000 ] - [ 0.0001913100000000, -0.0006634200000000, 0.0000694800000000 ] - [ 0.0000818800000000, -0.0004724100000000, 0.0000553400000000 ] - [ -0.0000380000000000, -0.0001091900000000, 0.0004781400000000 ] - [ -0.0000563900000000, -0.0000424200000000, 0.0004686000000000 ] - [ -0.0000533400000000, 0.0000612600000000, 0.0004600800000000 ] - [ -0.0000126200000000, 0.0001107000000000, 0.0004445300000000 ] - [ -0.0002235500000000, 0.0002482800000000, -0.0005365100000000 ] - [ -0.0000039200000000, 0.0004376500000000, -0.0001841300000000 ] - [ -0.0013166500000000, -0.0007455700000000, 0.0004953900000000 ] - [ -0.0000815900000000, -0.0004732100000000, 0.0000591900000000 ] - [ -0.0004909700000000, 0.0008949600000000, 0.0005261600000000 ] - [ 0.0000624400000000, 0.0001593600000000, 0.0004086300000000 ] - [ -0.0000196400000000, 0.0002972400000000, -0.0000368300000000 ] - [ 0.0000905400000000, 0.0004880800000000, -0.0000465800000000 ] - [ 0.0000684600000000, -0.0122484300000000, -0.0007224400000000 ] - [ -0.0000467300000000, 0.0000280300000000, 0.0000038400000000 ] - [ 0.0002204200000000, -0.0003773600000000, 0.0000655900000000 ] - [ 0.0000039500000000, -0.0001829200000000, 0.0004190400000000 ] - [ -0.0000486500000000, -0.0000007900000000, 0.0000067600000000 ] - [ -0.0000487800000000, 0.0000065800000000, -0.0000019600000000 ] - [ 0.0000134000000000, 0.0001802600000000, 0.0004286000000000 ] - [ -0.0000002900000000, 0.0004258000000000, 0.0001760200000000 ] - [ 0.0001560900000000, -0.0004630800000000, 0.0001519000000000 ] - [ 0.0000771900000000, -0.0004693400000000, -0.0000626200000000 ] - [ 0.0000879300000000, -0.0000090600000000, -0.0004809500000000 ] - [ 0.0000308400000000, 0.0000989700000000, -0.0004549100000000 ] - [ 0.0000046800000000, -0.0001509200000000, 0.0004402400000000 ] - [ 0.0000563600000000, -0.0000420400000000, 0.0004671000000000 ] - [ -0.0000369200000000, -0.0000800900000000, -0.0004608000000000 ] - [ -0.0000775500000000, -0.0000317500000000, -0.0004761700000000 ] - [ -0.0000545600000000, 0.0000343100000000, -0.0004427400000000 ] - [ -0.0000313200000000, 0.0000989300000000, -0.0004539000000000 ] - [ 0.0000194900000000, 0.0004965100000000, 0.0002560000000000 ] - [ 0.0000934700000000, 0.0004916000000000, 0.0000402400000000 ] - [ 0.0011420900000000, 0.0002033900000000, 0.0003834700000000 ] - [ -0.0000904900000000, 0.0004866600000000, -0.0000454400000000 ] - [ 0.0000427400000000, -0.0001108400000000, -0.0000158300000000 ] - [ 0.0000474400000000, 0.0000249900000000, 0.0000027000000000 ] - [ 0.0005644500000000, 0.0007267600000000, -0.0004019200000000 ] - [ 0.0000270100000000, 0.0000188800000000, -0.0005124700000000 ] - [ 0.0000488100000000, -0.0000388500000000, -0.0000058800000000 ] - [ 0.0000487700000000, 0.0000072000000000, -0.0000020700000000 ] - [ -0.0000134300000000, -0.0004403100000000, -0.0001758200000000 ] - [ 0.0000003800000000, -0.0001965000000000, -0.0004271000000000 ] - [ -0.0000763100000000, 0.0004559000000000, 0.0000631100000000 ] - [ -0.0000932600000000, 0.0004909500000000, 0.0000437600000000 ] - [ -0.0000997900000000, -0.0005042800000000, -0.0000424500000000 ] - [ -0.0000781700000000, -0.0004694500000000, -0.0000591800000000 ] - [ 0.0000467000000000, -0.0004786700000000, 0.0000911700000000 ] - [ 0.0000909600000000, -0.0004765800000000, 0.0000503800000000 ] - [ -0.0000611600000000, -0.0000604800000000, 0.0004652000000000 ] - [ -0.0000443500000000, -0.0000719600000000, 0.0004612900000000 ] - [ -0.0032826600000000, 0.0008758600000000, 0.0000025800000000 ] - [ -0.0000360900000000, 0.0000882400000000, 0.0004510800000000 ] - [ -0.0001858300000000, -0.0000704000000000, -0.0005217400000000 ] - [ 0.0000006800000000, 0.0003517400000000, -0.0002823400000000 ] - [ -0.0001251600000000, -0.0004642500000000, 0.0000085300000000 ] - [ 0.0000252100000000, -0.0003737200000000, 0.0000775000000000 ] - [ 0.0003219700000000, -0.0000643900000000, 0.0004455800000000 ] - [ 0.0000379000000000, 0.0000858400000000, 0.0004533600000000 ] - [ 0.0001262900000000, 0.0004832600000000, -0.0000136300000000 ] - [ 0.0000824300000000, 0.0004855600000000, -0.0000539700000000 ] - [ 0.0000891900000000, -0.0000109500000000, -0.0000005600000000 ] - [ -0.0001880500000000, -0.0000119000000000, -0.0000005300000000 ] - [ 0.0001873600000000, -0.0007001700000000, 0.0000720900000000 ] - [ -0.0000009800000000, -0.0002676400000000, 0.0003178400000000 ] - [ -0.0001040800000000, 0.0000115000000000, -0.0000009800000000 ] - [ 0.0000145800000000, 0.0000113000000000, -0.0000007800000000 ] - [ 0.0000813600000000, 0.0000966100000000, 0.0004612900000000 ] - [ 0.0000001700000000, 0.0003416600000000, 0.0002760600000000 ] - [ 0.0000837200000000, -0.0004773000000000, -0.0000632900000000 ] - [ 0.0000863300000000, -0.0004819900000000, -0.0000576700000000 ] - [ 0.0000520000000000, 0.0000686900000000, -0.0004666600000000 ] - [ 0.0000376300000000, 0.0000717000000000, -0.0004640700000000 ] - [ 0.0000395000000000, -0.0000736400000000, 0.0004532500000000 ] - [ 0.0000532800000000, -0.0000716700000000, 0.0004563100000000 ] - [ 0.0032563000000000, 0.0007490200000000, -0.0009332000000000 ] - [ -0.0000526200000000, -0.0000541400000000, -0.0004707300000000 ] - [ -0.0000305400000000, 0.0000817900000000, -0.0004547000000000 ] - [ -0.0000467800000000, 0.0000712000000000, -0.0004586300000000 ] - [ 0.0000912100000000, 0.0004841500000000, 0.0000424300000000 ] - [ 0.0000886400000000, 0.0004792000000000, 0.0000479700000000 ] - [ -0.0000484600000000, 0.0004971100000000, -0.0000965500000000 ] - [ -0.0002008000000000, 0.0005899100000000, -0.0000276100000000 ] - [ 0.0000322700000000, 0.0001067100000000, 0.0000052100000000 ] - [ 0.0000667900000000, 0.0001071500000000, 0.0000052300000000 ] - [ -0.0002372000000000, -0.0002092300000000, -0.0004739100000000 ] - [ 0.0000509800000000, -0.0000548300000000, -0.0004697700000000 ] - [ 0.0000896500000000, 0.0000009100000000, 0.0000015600000000 ] - [ 0.0000003200000000, 0.0000008500000000, 0.0000014300000000 ] - [ -0.0000788300000000, -0.0005177500000000, -0.0001530800000000 ] - [ -0.0000001000000000, -0.0002802600000000, -0.0003295400000000 ] - [ -0.0001216900000000, 0.0004844800000000, 0.0000188000000000 ] - [ -0.0000748600000000, 0.0004669100000000, 0.0000398400000000 ] - [ -0.0000530300000000, -0.0004771500000000, -0.0000870100000000 ] - [ -0.0001002400000000, -0.0004938800000000, -0.0000657700000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006395900000000, 0.0003893500000000, -0.0007566300000000 ] - [ 0.0006414000000000, -0.0000050500000000, 0.0000025600000000 ] - [ 0.0004140400000000, -0.0001474800000000, -0.0001017400000000 ] - [ -0.0000012600000000, 0.0001442800000000, 0.0000734200000000 ] - [ -0.0004055300000000, -0.0004400800000000, -0.0002480000000000 ] - [ 0.0000001900000000, -0.0001597800000000, -0.0000709900000000 ] - [ 0.0000339700000000, -0.0000211900000000, 0.0002465600000000 ] - [ 0.0000012600000000, -0.0001541700000000, 0.0000696600000000 ] - [ -0.0000928500000000, 0.0000634900000000, -0.0001892600000000 ] - [ -0.0000325000000000, 0.0001201700000000, -0.0000743400000000 ] - [ -0.0007823000000000, 0.0002323800000000, 0.0159821300000000 ] - [ -0.0006429100000000, -0.0000032800000000, -0.0000010600000000 ] - [ 0.0003472000000000, 0.0001419600000000, -0.0001549500000000 ] - [ -0.0000015200000000, -0.0000989000000000, -0.0000958700000000 ] - [ 0.0000942100000000, -0.0001199200000000, -0.0000163500000000 ] - [ 0.0000321400000000, -0.0000616800000000, 0.0000969300000000 ] - [ -0.0000323400000000, 0.0002892700000000, 0.0001026900000000 ] - [ -0.0000017100000000, 0.0001522600000000, -0.0000750100000000 ] - [ 0.0006533500000000, 0.0000180500000000, 0.0001938500000000 ] - [ 0.0006453800000000, -0.0000040600000000, -0.0000005200000000 ] - [ -0.0003441500000000, 0.0003218500000000, 0.0000151600000000 ] - [ 0.0000000200000000, 0.0000863800000000, 0.0000806200000000 ] - [ -0.0006380400000000, 0.0000390200000000, 0.0000726800000000 ] - [ -0.0006434000000000, -0.0000057800000000, 0.0000012900000000 ] - [ 0.0006412800000000, 0.0000028400000000, 0.0000053600000000 ] - [ 0.0006447200000000, 0.0000039700000000, 0.0000048300000000 ] - [ 0.0000544200000000, 0.0000422000000000, 0.0000227900000000 ] - [ -0.0000012900000000, 0.0001451700000000, 0.0000725700000000 ] - [ -0.0000551500000000, -0.0002564400000000, -0.0001246000000000 ] - [ 0.0000015000000000, -0.0001606000000000, -0.0000721000000000 ] - [ 0.0005172100000000, -0.0009071400000000, -0.0005206600000000 ] - [ 0.0000000200000000, -0.0001587700000000, 0.0000715600000000 ] - [ 0.0011582600000000, 0.0008237200000000, -0.0019429300000000 ] - [ 0.0000000900000000, 0.0000863000000000, -0.0000828100000000 ] - [ -0.0006479800000000, 0.0000001800000000, -0.0000047600000000 ] - [ -0.0006369300000000, 0.0000008600000000, -0.0000052500000000 ] - [ -0.0000107300000000, -0.0001165900000000, 0.0000144000000000 ] - [ -0.0000328000000000, -0.0000742700000000, -0.0000886400000000 ] - [ -0.0011712700000000, 0.0006399500000000, -0.0017576400000000 ] - [ 0.0000011100000000, -0.0000975300000000, 0.0000907800000000 ] - [ -0.0005291600000000, -0.0006065700000000, -0.0006625100000000 ] - [ 0.0000010700000000, 0.0001469000000000, -0.0000710600000000 ] - [ 0.0007340400000000, -0.0001047900000000, 0.0001057400000000 ] - [ 0.0005497000000000, -0.0001071700000000, 0.0001065400000000 ] - [ 0.0000103300000000, 0.0000634400000000, 0.0001780900000000 ] - [ 0.0000328200000000, 0.0001074600000000, 0.0000792700000000 ] - [ -0.0006510100000000, -0.0000358300000000, -0.0000385600000000 ] - [ -0.0006364700000000, -0.0000364100000000, -0.0000390600000000 ] - [ 0.0003570200000000, -0.0004554200000000, -0.0000675700000000 ] - [ 0.0000825900000000, -0.0004788500000000, 0.0000522700000000 ] - [ -0.0001190100000000, -0.0000933800000000, 0.0005822500000000 ] - [ -0.0000416800000000, -0.0000672500000000, 0.0004621300000000 ] - [ -0.0000375000000000, 0.0000691500000000, 0.0004547500000000 ] - [ -0.0000415900000000, 0.0000740100000000, 0.0004531900000000 ] - [ 0.0002258300000000, 0.0001786900000000, -0.0002490300000000 ] - [ -0.0000007100000000, 0.0003245800000000, -0.0002842800000000 ] - [ -0.0033112200000000, -0.0000126300000000, 0.0008661400000000 ] - [ -0.0000835200000000, -0.0004790700000000, 0.0000532600000000 ] - [ -0.0000318300000000, 0.0002421200000000, 0.0004911600000000 ] - [ 0.0000506600000000, 0.0001047800000000, 0.0004412400000000 ] - [ -0.0001929200000000, 0.0005031400000000, -0.0001727200000000 ] - [ 0.0000832500000000, 0.0004814200000000, -0.0000523500000000 ] - [ 0.0000668000000000, -0.0007237500000000, -0.0121869900000000 ] - [ -0.0000509400000000, 0.0000040700000000, 0.0000006900000000 ] - [ -0.0002282300000000, -0.0004450300000000, 0.0003450700000000 ] - [ 0.0000000500000000, -0.0002933900000000, 0.0003125100000000 ] - [ -0.0000528100000000, -0.0000069700000000, -0.0000269800000000 ] - [ -0.0000488800000000, 0.0000027000000000, -0.0000001500000000 ] - [ 0.0000129800000000, 0.0002994700000000, 0.0002978300000000 ] - [ 0.0000002400000000, 0.0003205700000000, 0.0002865600000000 ] - [ 0.0005765700000000, -0.0004772500000000, 0.0008193300000000 ] - [ 0.0000821000000000, -0.0004783100000000, -0.0000524800000000 ] - [ 0.0000064800000000, 0.0001125000000000, -0.0004533400000000 ] - [ 0.0000401500000000, 0.0000726800000000, -0.0004603600000000 ] - [ 0.0000798300000000, -0.0000297200000000, 0.0004659300000000 ] - [ 0.0000416600000000, -0.0000664900000000, 0.0004604200000000 ] - [ -0.0000469100000000, -0.0000713800000000, -0.0004655300000000 ] - [ -0.0000425900000000, -0.0000676600000000, -0.0004662800000000 ] - [ 0.0000288500000000, 0.0000467600000000, -0.0003394700000000 ] - [ -0.0000405400000000, 0.0000734500000000, -0.0004587100000000 ] - [ -0.0004223500000000, 0.0004907600000000, 0.0009496300000000 ] - [ 0.0000835500000000, 0.0004823100000000, 0.0000491200000000 ] - [ 0.0032074700000000, 0.0009603700000000, 0.0007763600000000 ] - [ -0.0000841500000000, 0.0004819900000000, -0.0000504300000000 ] - [ 0.0000475700000000, -0.0000168400000000, -0.0000866000000000 ] - [ 0.0000472500000000, 0.0000030500000000, 0.0000004000000000 ] - [ 0.0001156200000000, 0.0001019500000000, -0.0004270300000000 ] - [ 0.0000332800000000, -0.0000347100000000, -0.0004788100000000 ] - [ 0.0000478600000000, 0.0000056800000000, 0.0002221900000000 ] - [ 0.0000503900000000, 0.0000030300000000, -0.0000001500000000 ] - [ -0.0000126300000000, -0.0003176400000000, -0.0003034800000000 ] - [ -0.0000005700000000, -0.0003011900000000, -0.0003114900000000 ] - [ -0.0000607100000000, 0.0004621400000000, 0.0000825400000000 ] - [ -0.0000835400000000, 0.0004814700000000, 0.0000515100000000 ] - [ -0.0001114000000000, -0.0004980900000000, -0.0000203700000000 ] - [ -0.0000826100000000, -0.0004781400000000, -0.0000508700000000 ] - [ 0.0001126500000000, -0.0004888700000000, 0.0000089200000000 ] - [ 0.0000862700000000, -0.0004849200000000, 0.0000411100000000 ] - [ -0.0000615800000000, -0.0000375700000000, 0.0004491100000000 ] - [ -0.0000439800000000, -0.0000590700000000, 0.0004624400000000 ] - [ 0.0011665500000000, -0.0003925700000000, 0.0002072000000000 ] - [ -0.0000413600000000, 0.0000731800000000, 0.0004601100000000 ] - [ -0.0000874300000000, 0.0001763700000000, -0.0004863800000000 ] - [ 0.0000000800000000, 0.0003173800000000, -0.0002861200000000 ] - [ -0.0001012400000000, -0.0004758100000000, 0.0000347600000000 ] - [ -0.0000636400000000, -0.0004585800000000, 0.0000578000000000 ] - [ -0.0000570600000000, 0.0000457900000000, 0.0002875100000000 ] - [ 0.0000405600000000, 0.0000739700000000, 0.0004583800000000 ] - [ 0.0000561300000000, 0.0004719100000000, -0.0000941000000000 ] - [ 0.0000825300000000, 0.0004761900000000, -0.0000613500000000 ] - [ -0.0000311100000000, -0.0000007500000000, 0.0000053900000000 ] - [ -0.0000671600000000, -0.0000009000000000, 0.0000052300000000 ] - [ 0.0000891800000000, -0.0004520000000000, 0.0001047700000000 ] - [ 0.0000002600000000, -0.0003044900000000, 0.0003124500000000 ] - [ -0.0000457200000000, 0.0000003800000000, 0.0000113500000000 ] - [ -0.0000507600000000, 0.0000008000000000, 0.0000114000000000 ] - [ -0.0001782300000000, 0.0005024700000000, -0.0000294500000000 ] - [ 0.0000000500000000, 0.0003212900000000, 0.0002910800000000 ] - [ 0.0000914000000000, -0.0004766000000000, -0.0000516200000000 ] - [ 0.0000798100000000, -0.0004746400000000, -0.0000574800000000 ] - [ 0.0000371300000000, 0.0000804400000000, -0.0004588200000000 ] - [ 0.0000418400000000, 0.0000747400000000, -0.0004597000000000 ] - [ 0.0000481500000000, -0.0000608900000000, 0.0004612200000000 ] - [ 0.0000421400000000, -0.0000679100000000, 0.0004600500000000 ] - [ -0.0012514500000000, -0.0005431200000000, -0.0007018300000000 ] - [ -0.0000434200000000, -0.0000673700000000, -0.0004598600000000 ] - [ -0.0000240900000000, 0.0001041200000000, -0.0004708100000000 ] - [ -0.0000401100000000, 0.0000833800000000, -0.0004572700000000 ] - [ 0.0000788600000000, 0.0004834200000000, 0.0000521000000000 ] - [ 0.0000892300000000, 0.0004853500000000, 0.0000474700000000 ] - [ -0.0000671400000000, 0.0004837500000000, -0.0000697300000000 ] - [ -0.0001052000000000, 0.0005025200000000, -0.0000463200000000 ] - [ 0.0000244600000000, 0.0000048100000000, -0.0000159000000000 ] - [ 0.0000765000000000, 0.0000048300000000, -0.0000159700000000 ] - [ 0.0001397100000000, -0.0000961500000000, -0.0006333600000000 ] - [ 0.0000421600000000, -0.0000682900000000, -0.0004613100000000 ] - [ 0.0000487900000000, -0.0000020400000000, 0.0000014100000000 ] - [ 0.0000487400000000, -0.0000011800000000, 0.0000012000000000 ] - [ 0.0001792300000000, -0.0001097400000000, -0.0006400700000000 ] - [ 0.0000007600000000, -0.0002994000000000, -0.0003079300000000 ] - [ -0.0000694800000000, 0.0004792500000000, 0.0000660700000000 ] - [ -0.0000852900000000, 0.0004746700000000, 0.0000521500000000 ] - [ -0.0001009700000000, -0.0004811400000000, -0.0000377100000000 ] - [ -0.0000839900000000, -0.0004846300000000, -0.0000528000000000 ]