# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7461af3c-ddd5-4ef3-a006-fcbfdd77c19b/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 Nb3O7F / Pnma (62) / materials id 760188](https://mdr.nims.go.jp/datasets/71396c9a-8fa9-46d4-8eb1-b781b8da07a9) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 15.824207160000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.482245330000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.831418269999999 ] # c points: - symbol: Nb # 1 coordinates: [ 0.040360180000000, 0.750000000000000, 0.533270570000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.166285620000000, 0.445858850000000, 0.501337960000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.166285620000000, 0.054141150000000, 0.501337960000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.333714380000000, 0.945858850000000, 0.001337960000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.333714380000000, 0.554141150000000, 0.001337960000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.459639820000000, 0.250000000000000, 0.033270570000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.540360180000000, 0.750000000000000, 0.966729430000000 ] mass: 92.906380 - symbol: Nb # 8 coordinates: [ 0.666285620000000, 0.445858850000000, 0.998662040000000 ] mass: 92.906380 - symbol: Nb # 9 coordinates: [ 0.666285620000000, 0.054141150000000, 0.998662040000000 ] mass: 92.906380 - symbol: Nb # 10 coordinates: [ 0.833714380000000, 0.945858850000000, 0.498662040000000 ] mass: 92.906380 - symbol: Nb # 11 coordinates: [ 0.833714380000000, 0.554141150000000, 0.498662040000000 ] mass: 92.906380 - symbol: Nb # 12 coordinates: [ 0.959639820000000, 0.250000000000000, 0.466729430000000 ] mass: 92.906380 - symbol: O # 13 coordinates: [ 0.028269580000000, 0.750000000000000, 0.013945890000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.061893950000000, 0.375375750000000, 0.494535300000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.061893950000000, 0.124624250000000, 0.494535300000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.122376060000000, 0.887244260000000, 0.506834370000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.122376060000000, 0.612755740000000, 0.506834370000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.203605850000000, 0.047743820000000, 0.002449570000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.203605850000000, 0.452256180000000, 0.002449570000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.296394150000000, 0.952256180000000, 0.502449570000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.296394150000000, 0.547743820000000, 0.502449570000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.377623940000000, 0.387244260000000, 0.006834370000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.377623940000000, 0.112755740000000, 0.006834370000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.438106050000000, 0.875375750000000, 0.994535300000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.438106050000000, 0.624624250000000, 0.994535300000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.471730420000000, 0.250000000000000, 0.513945890000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.528269580000000, 0.750000000000000, 0.486054110000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.561893950000000, 0.375375750000000, 0.005464700000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.561893950000000, 0.124624250000000, 0.005464700000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.622376060000000, 0.887244260000000, 0.993165630000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.622376060000000, 0.612755740000000, 0.993165630000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.703605850000000, 0.452256180000000, 0.497550430000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.703605850000000, 0.047743820000000, 0.497550430000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.796394150000000, 0.952256180000000, 0.997550430000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.796394150000000, 0.547743820000000, 0.997550430000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.877623940000000, 0.387244260000000, 0.493165630000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.877623940000000, 0.112755740000000, 0.493165630000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.938106050000000, 0.875375750000000, 0.505464700000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.938106050000000, 0.624624250000000, 0.505464700000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.971730420000000, 0.250000000000000, 0.986054110000000 ] mass: 15.999400 - symbol: F # 41 coordinates: [ 0.211783620000000, 0.250000000000000, 0.505158930000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.288216380000000, 0.750000000000000, 0.005158930000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.711783620000000, 0.250000000000000, 0.994841070000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.788216380000000, 0.750000000000000, 0.494841070000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.063194319303894, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.095399408096090, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.260999956029337 ] # c*unit_cell: lattice: - [ 15.824207160000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.482245330000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.831418270000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.040360180000000, 0.750000000000000, 0.533270570000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.166285620000000, 0.445858850000000, 0.501337960000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.166285620000000, 0.054141150000000, 0.501337960000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.333714380000000, 0.945858850000000, 0.001337960000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.333714380000000, 0.554141150000000, 0.001337960000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.459639820000000, 0.250000000000000, 0.033270570000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.540360180000000, 0.750000000000000, 0.966729430000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.666285620000000, 0.445858850000000, 0.998662040000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.666285620000000, 0.054141150000000, 0.998662040000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.833714380000000, 0.945858850000000, 0.498662040000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.833714380000000, 0.554141150000000, 0.498662040000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.959639820000000, 0.250000000000000, 0.466729430000000 ] mass: 92.906380 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.028269580000000, 0.750000000000000, 0.013945890000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.061893950000000, 0.375375750000000, 0.494535300000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.061893950000000, 0.124624250000000, 0.494535300000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.122376060000000, 0.887244260000000, 0.506834370000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.122376060000000, 0.612755740000000, 0.506834370000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.203605850000000, 0.047743820000000, 0.002449570000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.203605850000000, 0.452256180000000, 0.002449570000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.296394150000000, 0.952256180000000, 0.502449570000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.296394150000000, 0.547743820000000, 0.502449570000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.377623940000000, 0.387244260000000, 0.006834370000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.377623940000000, 0.112755740000000, 0.006834370000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.438106050000000, 0.875375750000000, 0.994535300000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.438106050000000, 0.624624250000000, 0.994535300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.471730420000000, 0.250000000000000, 0.513945890000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.528269580000000, 0.750000000000000, 0.486054110000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.561893950000000, 0.375375750000000, 0.005464700000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.561893950000000, 0.124624250000000, 0.005464700000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.622376060000000, 0.887244260000000, 0.993165630000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.622376060000000, 0.612755740000000, 0.993165630000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.703605850000000, 0.452256180000000, 0.497550430000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.703605850000000, 0.047743820000000, 0.497550430000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.796394150000000, 0.952256180000000, 0.997550430000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.796394150000000, 0.547743820000000, 0.997550430000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.877623940000000, 0.387244260000000, 0.493165630000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.877623940000000, 0.112755740000000, 0.493165630000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.938106050000000, 0.875375750000000, 0.505464700000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.938106050000000, 0.624624250000000, 0.505464700000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.971730420000000, 0.250000000000000, 0.986054110000000 ] mass: 15.999400 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.211783620000000, 0.250000000000000, 0.505158930000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.288216380000000, 0.750000000000000, 0.005158930000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.711783620000000, 0.250000000000000, 0.994841070000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.788216380000000, 0.750000000000000, 0.494841070000000 ] mass: 18.998403 reduced_to: 44supercell: lattice: - [ 15.824207160000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.482245330000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.494254809999999 ] # c points: - symbol: Nb # 1 coordinates: [ 0.040360180000000, 0.750000000000000, 0.177756856666667 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.040360180000000, 0.750000000000000, 0.511090190000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 3 coordinates: [ 0.040360180000000, 0.750000000000000, 0.844423523333333 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 4 coordinates: [ 0.166285620000000, 0.445858850000000, 0.167112653333333 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.166285620000000, 0.445858850000000, 0.500445986666667 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 6 coordinates: [ 0.166285620000000, 0.445858850000000, 0.833779320000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 7 coordinates: [ 0.166285620000000, 0.054141150000000, 0.167112653333333 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.166285620000000, 0.054141150000000, 0.500445986666667 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 9 coordinates: [ 0.166285620000000, 0.054141150000000, 0.833779320000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 10 coordinates: [ 0.333714380000000, 0.945858850000000, 0.000445986666667 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.333714380000000, 0.945858850000000, 0.333779320000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 12 coordinates: [ 0.333714380000000, 0.945858850000000, 0.667112653333333 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 13 coordinates: [ 0.333714380000000, 0.554141150000000, 0.000445986666667 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.333714380000000, 0.554141150000000, 0.333779320000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 15 coordinates: [ 0.333714380000000, 0.554141150000000, 0.667112653333333 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 16 coordinates: [ 0.459639820000000, 0.250000000000000, 0.011090190000000 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 17 coordinates: [ 0.459639820000000, 0.250000000000000, 0.344423523333333 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 18 coordinates: [ 0.459639820000000, 0.250000000000000, 0.677756856666667 ] mass: 92.906380 reduced_to: 16 - symbol: Nb # 19 coordinates: [ 0.540360180000000, 0.750000000000000, 0.322243143333333 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 20 coordinates: [ 0.540360180000000, 0.750000000000000, 0.655576476666667 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 21 coordinates: [ 0.540360180000000, 0.750000000000000, 0.988909810000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 22 coordinates: [ 0.666285620000000, 0.445858850000000, 0.332887346666667 ] mass: 92.906380 reduced_to: 22 - symbol: Nb # 23 coordinates: [ 0.666285620000000, 0.445858850000000, 0.666220680000000 ] mass: 92.906380 reduced_to: 22 - symbol: Nb # 24 coordinates: [ 0.666285620000000, 0.445858850000000, 0.999554013333333 ] mass: 92.906380 reduced_to: 22 - symbol: Nb # 25 coordinates: [ 0.666285620000000, 0.054141150000000, 0.332887346666667 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 26 coordinates: [ 0.666285620000000, 0.054141150000000, 0.666220680000000 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 27 coordinates: [ 0.666285620000000, 0.054141150000000, 0.999554013333333 ] mass: 92.906380 reduced_to: 25 - symbol: Nb # 28 coordinates: [ 0.833714380000000, 0.945858850000000, 0.166220680000000 ] mass: 92.906380 reduced_to: 28 - symbol: Nb # 29 coordinates: [ 0.833714380000000, 0.945858850000000, 0.499554013333333 ] mass: 92.906380 reduced_to: 28 - symbol: Nb # 30 coordinates: [ 0.833714380000000, 0.945858850000000, 0.832887346666667 ] mass: 92.906380 reduced_to: 28 - symbol: Nb # 31 coordinates: [ 0.833714380000000, 0.554141150000000, 0.166220680000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 32 coordinates: [ 0.833714380000000, 0.554141150000000, 0.499554013333333 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 33 coordinates: [ 0.833714380000000, 0.554141150000000, 0.832887346666667 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 34 coordinates: [ 0.959639820000000, 0.250000000000000, 0.155576476666667 ] mass: 92.906380 reduced_to: 34 - symbol: Nb # 35 coordinates: [ 0.959639820000000, 0.250000000000000, 0.488909810000000 ] mass: 92.906380 reduced_to: 34 - symbol: Nb # 36 coordinates: [ 0.959639820000000, 0.250000000000000, 0.822243143333333 ] mass: 92.906380 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.028269580000000, 0.750000000000000, 0.004648630000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.028269580000000, 0.750000000000000, 0.337981963333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.028269580000000, 0.750000000000000, 0.671315296666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.061893950000000, 0.375375750000000, 0.164845100000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.061893950000000, 0.375375750000000, 0.498178433333333 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.061893950000000, 0.375375750000000, 0.831511766666667 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.061893950000000, 0.124624250000000, 0.164845100000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.061893950000000, 0.124624250000000, 0.498178433333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.061893950000000, 0.124624250000000, 0.831511766666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.122376060000000, 0.887244260000000, 0.168944790000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.122376060000000, 0.887244260000000, 0.502278123333333 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.122376060000000, 0.887244260000000, 0.835611456666667 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.122376060000000, 0.612755740000000, 0.168944790000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.122376060000000, 0.612755740000000, 0.502278123333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.122376060000000, 0.612755740000000, 0.835611456666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.203605850000000, 0.047743820000000, 0.000816523333333 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.203605850000000, 0.047743820000000, 0.334149856666667 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.203605850000000, 0.047743820000000, 0.667483190000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.203605850000000, 0.452256180000000, 0.000816523333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.203605850000000, 0.452256180000000, 0.334149856666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.203605850000000, 0.452256180000000, 0.667483190000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.296394150000000, 0.952256180000000, 0.167483190000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.296394150000000, 0.952256180000000, 0.500816523333333 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.296394150000000, 0.952256180000000, 0.834149856666667 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.296394150000000, 0.547743820000000, 0.167483190000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.296394150000000, 0.547743820000000, 0.500816523333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.296394150000000, 0.547743820000000, 0.834149856666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.377623940000000, 0.387244260000000, 0.002278123333333 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.377623940000000, 0.387244260000000, 0.335611456666667 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.377623940000000, 0.387244260000000, 0.668944790000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.377623940000000, 0.112755740000000, 0.002278123333333 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.377623940000000, 0.112755740000000, 0.335611456666667 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.377623940000000, 0.112755740000000, 0.668944790000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.438106050000000, 0.875375750000000, 0.331511766666667 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.438106050000000, 0.875375750000000, 0.664845100000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.438106050000000, 0.875375750000000, 0.998178433333333 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.438106050000000, 0.624624250000000, 0.331511766666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.438106050000000, 0.624624250000000, 0.664845100000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.438106050000000, 0.624624250000000, 0.998178433333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.471730420000000, 0.250000000000000, 0.171315296666667 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.471730420000000, 0.250000000000000, 0.504648630000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.471730420000000, 0.250000000000000, 0.837981963333333 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.528269580000000, 0.750000000000000, 0.162018036666667 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.528269580000000, 0.750000000000000, 0.495351370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.528269580000000, 0.750000000000000, 0.828684703333333 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.561893950000000, 0.375375750000000, 0.001821566666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.561893950000000, 0.375375750000000, 0.335154900000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.561893950000000, 0.375375750000000, 0.668488233333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.561893950000000, 0.124624250000000, 0.001821566666667 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.561893950000000, 0.124624250000000, 0.335154900000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.561893950000000, 0.124624250000000, 0.668488233333333 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.622376060000000, 0.887244260000000, 0.331055210000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.622376060000000, 0.887244260000000, 0.664388543333333 ] mass: 15.999400 reduced_to: 88 - symbol: O # 90 coordinates: [ 0.622376060000000, 0.887244260000000, 0.997721876666667 ] mass: 15.999400 reduced_to: 88 - symbol: O # 91 coordinates: [ 0.622376060000000, 0.612755740000000, 0.331055210000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.622376060000000, 0.612755740000000, 0.664388543333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.622376060000000, 0.612755740000000, 0.997721876666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.703605850000000, 0.452256180000000, 0.165850143333333 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.703605850000000, 0.452256180000000, 0.499183476666667 ] mass: 15.999400 reduced_to: 94 - symbol: O # 96 coordinates: [ 0.703605850000000, 0.452256180000000, 0.832516810000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 97 coordinates: [ 0.703605850000000, 0.047743820000000, 0.165850143333333 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.703605850000000, 0.047743820000000, 0.499183476666667 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.703605850000000, 0.047743820000000, 0.832516810000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.796394150000000, 0.952256180000000, 0.332516810000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.796394150000000, 0.952256180000000, 0.665850143333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 102 coordinates: [ 0.796394150000000, 0.952256180000000, 0.999183476666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 103 coordinates: [ 0.796394150000000, 0.547743820000000, 0.332516810000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.796394150000000, 0.547743820000000, 0.665850143333333 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.796394150000000, 0.547743820000000, 0.999183476666667 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.877623940000000, 0.387244260000000, 0.164388543333333 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.877623940000000, 0.387244260000000, 0.497721876666667 ] mass: 15.999400 reduced_to: 106 - symbol: O # 108 coordinates: [ 0.877623940000000, 0.387244260000000, 0.831055210000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 109 coordinates: [ 0.877623940000000, 0.112755740000000, 0.164388543333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.877623940000000, 0.112755740000000, 0.497721876666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.877623940000000, 0.112755740000000, 0.831055210000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.938106050000000, 0.875375750000000, 0.168488233333333 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.938106050000000, 0.875375750000000, 0.501821566666667 ] mass: 15.999400 reduced_to: 112 - symbol: O # 114 coordinates: [ 0.938106050000000, 0.875375750000000, 0.835154900000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 115 coordinates: [ 0.938106050000000, 0.624624250000000, 0.168488233333333 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.938106050000000, 0.624624250000000, 0.501821566666667 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.938106050000000, 0.624624250000000, 0.835154900000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.971730420000000, 0.250000000000000, 0.328684703333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.971730420000000, 0.250000000000000, 0.662018036666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 120 coordinates: [ 0.971730420000000, 0.250000000000000, 0.995351370000000 ] mass: 15.999400 reduced_to: 118 - symbol: F # 121 coordinates: [ 0.211783620000000, 0.250000000000000, 0.168386310000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 122 coordinates: [ 0.211783620000000, 0.250000000000000, 0.501719643333333 ] mass: 18.998403 reduced_to: 121 - symbol: F # 123 coordinates: [ 0.211783620000000, 0.250000000000000, 0.835052976666667 ] mass: 18.998403 reduced_to: 121 - symbol: F # 124 coordinates: [ 0.288216380000000, 0.750000000000000, 0.001719643333333 ] mass: 18.998403 reduced_to: 124 - symbol: F # 125 coordinates: [ 0.288216380000000, 0.750000000000000, 0.335052976666667 ] mass: 18.998403 reduced_to: 124 - symbol: F # 126 coordinates: [ 0.288216380000000, 0.750000000000000, 0.668386310000000 ] mass: 18.998403 reduced_to: 124 - symbol: F # 127 coordinates: [ 0.711783620000000, 0.250000000000000, 0.331613690000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 128 coordinates: [ 0.711783620000000, 0.250000000000000, 0.664947023333333 ] mass: 18.998403 reduced_to: 127 - symbol: F # 129 coordinates: [ 0.711783620000000, 0.250000000000000, 0.998280356666667 ] mass: 18.998403 reduced_to: 127 - symbol: F # 130 coordinates: [ 0.788216380000000, 0.750000000000000, 0.164947023333333 ] mass: 18.998403 reduced_to: 130 - symbol: F # 131 coordinates: [ 0.788216380000000, 0.750000000000000, 0.498280356666667 ] mass: 18.998403 reduced_to: 130 - symbol: F # 132 coordinates: [ 0.788216380000000, 0.750000000000000, 0.831613690000000 ] mass: 18.998403 reduced_to: 130displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2570942600000000, 0.0000000000000000, 0.0150950700000000 ] - [ -0.0338217100000000, 0.0000000000000000, -0.0107424800000000 ] - [ -0.0338415300000000, 0.0000000000000000, 0.0107569400000000 ] - [ 0.0221624600000000, -0.0654314400000000, -0.0008602900000000 ] - [ -0.0056714400000000, 0.0028656800000000, 0.0118631200000000 ] - [ -0.0050691800000000, 0.0018799700000000, -0.0120057000000000 ] - [ 0.0221624600000000, 0.0654314400000000, -0.0008602900000000 ] - [ -0.0056714400000000, -0.0028656800000000, 0.0118631200000000 ] - [ -0.0050691800000000, -0.0018799700000000, -0.0120057000000000 ] - [ 0.0090241100000000, 0.0015823000000000, -0.0062425200000000 ] - [ 0.0089983200000000, 0.0019717900000000, 0.0064164200000000 ] - [ 0.0012448800000000, 0.0001961600000000, -0.0000196200000000 ] - [ 0.0090241100000000, -0.0015823000000000, -0.0062425200000000 ] - [ 0.0089983200000000, -0.0019717900000000, 0.0064164200000000 ] - [ 0.0012448800000000, -0.0001961600000000, -0.0000196200000000 ] - [ 0.0257639800000000, 0.0000000000000000, 0.0038834200000000 ] - [ 0.0257641400000000, 0.0000000000000000, 0.0050275300000000 ] - [ 0.0205145400000000, 0.0000000000000000, 0.0043715900000000 ] - [ -0.0006538500000000, 0.0000000000000000, -0.0036768800000000 ] - [ -0.0059305200000000, 0.0000000000000000, -0.0035695500000000 ] - [ -0.0008779200000000, 0.0000000000000000, -0.0032675800000000 ] - [ 0.0135942300000000, 0.0012653200000000, -0.0042268000000000 ] - [ 0.0081051400000000, -0.0000303800000000, -0.0001826000000000 ] - [ 0.0133109300000000, 0.0010759000000000, 0.0042512000000000 ] - [ 0.0135942300000000, -0.0012653200000000, -0.0042268000000000 ] - [ 0.0081051400000000, 0.0000303800000000, -0.0001826000000000 ] - [ 0.0133109300000000, -0.0010759000000000, 0.0042512000000000 ] - [ 0.0533313500000000, -0.0474175800000000, 0.0015577900000000 ] - [ -0.0051556400000000, -0.0037867500000000, -0.0094692100000000 ] - [ -0.0063704900000000, -0.0029845200000000, 0.0088649800000000 ] - [ 0.0533313500000000, 0.0474175800000000, 0.0015577900000000 ] - [ -0.0051556400000000, 0.0037867500000000, -0.0094692100000000 ] - [ -0.0063704900000000, 0.0029845200000000, 0.0088649800000000 ] - [ -0.0425367800000000, 0.0000000000000000, -0.0023561700000000 ] - [ -0.0005488800000000, 0.0000000000000000, -0.0041893500000000 ] - [ -0.0001618400000000, 0.0000000000000000, -0.0019240400000000 ] - [ 0.0202012300000000, 0.0000000000000000, 0.0152915200000000 ] - [ 0.0248573300000000, 0.0000000000000000, -0.0283509300000000 ] - [ 0.0154050800000000, 0.0000000000000000, -0.0035143200000000 ] - [ 0.0255853300000000, 0.0146144100000000, 0.0010453600000000 ] - [ 0.0053598700000000, 0.0011748200000000, 0.0000084800000000 ] - [ 0.0054386600000000, 0.0013008400000000, 0.0006583400000000 ] - [ 0.0255853300000000, -0.0146144100000000, 0.0010453600000000 ] - [ 0.0053598700000000, -0.0011748200000000, 0.0000084800000000 ] - [ 0.0054386600000000, -0.0013008400000000, 0.0006583400000000 ] - [ 0.0511327100000000, 0.0201250400000000, -0.0029468700000000 ] - [ 0.0063179700000000, 0.0071557200000000, -0.0003154600000000 ] - [ 0.0054205900000000, 0.0057864600000000, 0.0003409700000000 ] - [ 0.0511327100000000, -0.0201250400000000, -0.0029468700000000 ] - [ 0.0063179700000000, -0.0071557200000000, -0.0003154600000000 ] - [ 0.0054205900000000, -0.0057864600000000, 0.0003409700000000 ] - [ -0.0077017400000000, -0.0002433300000000, 0.0189877900000000 ] - [ -0.0073595800000000, -0.0003725100000000, -0.0192364400000000 ] - [ -0.0038888600000000, 0.0014605200000000, 0.0002528400000000 ] - [ -0.0077017400000000, 0.0002433300000000, 0.0189877900000000 ] - [ -0.0073595800000000, 0.0003725100000000, -0.0192364400000000 ] - [ -0.0038888600000000, -0.0014605200000000, 0.0002528400000000 ] - [ -0.0054565800000000, -0.0009923500000000, -0.0001349500000000 ] - [ 0.0023986000000000, -0.0007032800000000, -0.0031067000000000 ] - [ 0.0022970700000000, -0.0006604600000000, 0.0030381800000000 ] - [ -0.0054565800000000, 0.0009923500000000, -0.0001349500000000 ] - [ 0.0023986000000000, 0.0007032800000000, -0.0031067000000000 ] - [ 0.0022970700000000, 0.0006604600000000, 0.0030381800000000 ] - [ -0.0042535800000000, 0.0035740600000000, 0.0001290100000000 ] - [ -0.0042351200000000, 0.0036306200000000, -0.0009548500000000 ] - [ -0.0019304000000000, 0.0015385000000000, -0.0003124300000000 ] - [ -0.0042535800000000, -0.0035740600000000, 0.0001290100000000 ] - [ -0.0042351200000000, -0.0036306200000000, -0.0009548500000000 ] - [ -0.0019304000000000, -0.0015385000000000, -0.0003124300000000 ] - [ -0.0052209000000000, 0.0009796300000000, 0.0001133100000000 ] - [ -0.0022868000000000, 0.0000230000000000, 0.0002749200000000 ] - [ -0.0052097100000000, 0.0009969000000000, 0.0005957200000000 ] - [ -0.0052209000000000, -0.0009796300000000, 0.0001133100000000 ] - [ -0.0022868000000000, -0.0000230000000000, 0.0002749200000000 ] - [ -0.0052097100000000, -0.0009969000000000, 0.0005957200000000 ] - [ -0.0134165800000000, 0.0000000000000000, -0.0045143900000000 ] - [ -0.0129469100000000, 0.0000000000000000, -0.0051102400000000 ] - [ -0.0128950900000000, 0.0000000000000000, -0.0038710800000000 ] - [ 0.0091768400000000, 0.0000000000000000, 0.0038708300000000 ] - [ 0.0097270100000000, 0.0000000000000000, 0.0039640100000000 ] - [ 0.0097133900000000, 0.0000000000000000, 0.0038420000000000 ] - [ -0.0075620300000000, -0.0040442100000000, -0.0002053500000000 ] - [ -0.0076546900000000, -0.0040865900000000, 0.0001410000000000 ] - [ -0.0049060500000000, -0.0029713000000000, -0.0001134800000000 ] - [ -0.0075620300000000, 0.0040442100000000, -0.0002053500000000 ] - [ -0.0076546900000000, 0.0040865900000000, 0.0001410000000000 ] - [ -0.0049060500000000, 0.0029713000000000, -0.0001134800000000 ] - [ -0.0045149800000000, -0.0043160500000000, 0.0003610700000000 ] - [ -0.0026771200000000, -0.0030491300000000, 0.0000836600000000 ] - [ -0.0044375000000000, -0.0043053600000000, -0.0004104000000000 ] - [ -0.0045149800000000, 0.0043160500000000, 0.0003610700000000 ] - [ -0.0026771200000000, 0.0030491300000000, 0.0000836600000000 ] - [ -0.0044375000000000, 0.0043053600000000, -0.0004104000000000 ] - [ -0.0107924100000000, -0.0046633900000000, -0.0001677800000000 ] - [ -0.0044169300000000, -0.0013814700000000, 0.0021518700000000 ] - [ -0.0042346600000000, -0.0012872100000000, -0.0020270900000000 ] - [ -0.0107924100000000, 0.0046633900000000, -0.0001677800000000 ] - [ -0.0044169300000000, 0.0013814700000000, 0.0021518700000000 ] - [ -0.0042346600000000, 0.0012872100000000, -0.0020270900000000 ] - [ -0.0016856700000000, 0.0019225000000000, 0.0155773800000000 ] - [ 0.0008573700000000, 0.0000882000000000, 0.0005034600000000 ] - [ -0.0013712000000000, 0.0017942600000000, -0.0157650000000000 ] - [ -0.0016856700000000, -0.0019225000000000, 0.0155773800000000 ] - [ 0.0008573700000000, -0.0000882000000000, 0.0005034600000000 ] - [ -0.0013712000000000, -0.0017942600000000, -0.0157650000000000 ] - [ 0.0143878400000000, -0.0284343200000000, -0.0010216300000000 ] - [ 0.0041815200000000, -0.0059122200000000, 0.0007233200000000 ] - [ 0.0040190100000000, -0.0055008700000000, -0.0007773500000000 ] - [ 0.0143878400000000, 0.0284343200000000, -0.0010216300000000 ] - [ 0.0041815200000000, 0.0059122200000000, 0.0007233200000000 ] - [ 0.0040190100000000, 0.0055008700000000, -0.0007773500000000 ] - [ 0.0033438500000000, -0.0105515000000000, 0.0011873600000000 ] - [ 0.0044375700000000, -0.0023382100000000, 0.0021291000000000 ] - [ 0.0058201400000000, -0.0032063300000000, -0.0013561200000000 ] - [ 0.0033438500000000, 0.0105515000000000, 0.0011873600000000 ] - [ 0.0044375700000000, 0.0023382100000000, 0.0021291000000000 ] - [ 0.0058201400000000, 0.0032063300000000, -0.0013561200000000 ] - [ -0.0065264200000000, 0.0000000000000000, 0.0049444300000000 ] - [ -0.0089019700000000, 0.0000000000000000, 0.0037460700000000 ] - [ -0.0062796600000000, 0.0000000000000000, 0.0014800100000000 ] - [ -0.0017902800000000, 0.0000000000000000, -0.0003466700000000 ] - [ 0.0005890500000000, 0.0000000000000000, -0.0016535100000000 ] - [ 0.0005377000000000, 0.0000000000000000, 0.0012525000000000 ] - [ -0.0027788400000000, 0.0000000000000000, 0.0011972100000000 ] - [ -0.0029603000000000, 0.0000000000000000, -0.0017648200000000 ] - [ -0.0002489100000000, 0.0000000000000000, -0.0002457700000000 ] - [ -0.0013738600000000, 0.0000000000000000, 0.0008717800000000 ] - [ -0.0007535500000000, 0.0000000000000000, 0.0002977300000000 ] - [ -0.0013812200000000, 0.0000000000000000, -0.0003402200000000 ] - [ -0.0087175000000000, 0.0000000000000000, 0.0000423800000000 ] - [ 0.0003231800000000, 0.0000000000000000, 0.0014772100000000 ] - [ 0.0004523400000000, 0.0000000000000000, -0.0007702800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2277241800000000, 0.0000000000000000, -0.0061893200000000 ] - [ 0.0071943500000000, 0.0000000000000000, 0.0180998800000000 ] - [ 0.0071724400000000, 0.0000000000000000, -0.0026834400000000 ] - [ -0.0163725000000000, 0.0652506200000000, 0.0009679100000000 ] - [ 0.0113671000000000, -0.0030428300000000, -0.0117955600000000 ] - [ 0.0107962000000000, -0.0021041200000000, 0.0120975300000000 ] - [ -0.0163725000000000, -0.0652506200000000, 0.0009679100000000 ] - [ 0.0113671000000000, 0.0030428300000000, -0.0117955600000000 ] - [ 0.0107962000000000, 0.0021041200000000, 0.0120975300000000 ] - [ -0.0147728500000000, -0.0017933000000000, 0.0063396200000000 ] - [ -0.0147477700000000, -0.0021786400000000, -0.0063393400000000 ] - [ -0.0069992800000000, -0.0004280600000000, 0.0000985700000000 ] - [ -0.0147728500000000, 0.0017933000000000, 0.0063396200000000 ] - [ -0.0147477700000000, 0.0021786400000000, -0.0063393400000000 ] - [ -0.0069992800000000, 0.0004280600000000, 0.0000985700000000 ] - [ 0.0008381000000000, 0.0000000000000000, 0.0040138900000000 ] - [ 0.0008381500000000, 0.0000000000000000, 0.0028761100000000 ] - [ 0.0061057400000000, 0.0000000000000000, 0.0035294600000000 ] - [ -0.0260794500000000, 0.0000000000000000, -0.0042175400000000 ] - [ -0.0207810700000000, 0.0000000000000000, -0.0043380600000000 ] - [ -0.0258575300000000, 0.0000000000000000, -0.0046472700000000 ] - [ -0.0079522900000000, -0.0015100300000000, 0.0041863400000000 ] - [ -0.0024184800000000, -0.0002031800000000, 0.0000942300000000 ] - [ -0.0076727400000000, -0.0013203500000000, -0.0043755000000000 ] - [ -0.0079522900000000, 0.0015100300000000, 0.0041863400000000 ] - [ -0.0024184800000000, 0.0002031800000000, 0.0000942300000000 ] - [ -0.0076727400000000, 0.0013203500000000, -0.0043755000000000 ] - [ -0.0598254900000000, 0.0477133700000000, -0.0016488400000000 ] - [ -0.0004588500000000, 0.0035444700000000, 0.0094750300000000 ] - [ 0.0007258200000000, 0.0027586200000000, -0.0090485000000000 ] - [ -0.0598254900000000, -0.0477133700000000, -0.0016488400000000 ] - [ -0.0004588500000000, -0.0035444700000000, 0.0094750300000000 ] - [ 0.0007258200000000, -0.0027586200000000, -0.0090485000000000 ] - [ 0.0697580300000000, 0.0000000000000000, -0.0055433800000000 ] - [ 0.0273249300000000, 0.0000000000000000, -0.0037023500000000 ] - [ 0.0269348700000000, 0.0000000000000000, -0.0059996800000000 ] - [ 0.0031028600000000, 0.0000000000000000, -0.0228184800000000 ] - [ -0.0014794800000000, 0.0000000000000000, 0.0190332500000000 ] - [ 0.0072900300000000, 0.0000000000000000, -0.0047789300000000 ] - [ -0.0281378600000000, -0.0175054800000000, -0.0006723100000000 ] - [ -0.0076890200000000, -0.0039881100000000, 0.0003788500000000 ] - [ -0.0077647800000000, -0.0041079600000000, -0.0002679000000000 ] - [ -0.0281378600000000, 0.0175054800000000, -0.0006723100000000 ] - [ -0.0076890200000000, 0.0039881100000000, 0.0003788500000000 ] - [ -0.0077647800000000, 0.0041079600000000, -0.0002679000000000 ] - [ -0.0490466900000000, -0.0182448000000000, 0.0023413000000000 ] - [ -0.0067417100000000, -0.0084667400000000, -0.0000198300000000 ] - [ -0.0058858500000000, -0.0071625500000000, -0.0007180800000000 ] - [ -0.0490466900000000, 0.0182448000000000, 0.0023413000000000 ] - [ -0.0067417100000000, 0.0084667400000000, -0.0000198300000000 ] - [ -0.0058858500000000, 0.0071625500000000, -0.0007180800000000 ] - [ 0.0018562600000000, 0.0016187800000000, -0.0191178900000000 ] - [ 0.0015176300000000, 0.0017480600000000, 0.0192114200000000 ] - [ -0.0019391400000000, -0.0000542000000000, -0.0002970800000000 ] - [ 0.0018562600000000, -0.0016187800000000, -0.0191178900000000 ] - [ 0.0015176300000000, -0.0017480600000000, 0.0192114200000000 ] - [ -0.0019391400000000, 0.0000542000000000, -0.0002970800000000 ] - [ 0.0113541900000000, -0.0004358300000000, 0.0000699900000000 ] - [ 0.0034717100000000, -0.0007153600000000, 0.0030426400000000 ] - [ 0.0035681200000000, -0.0007574700000000, -0.0030996800000000 ] - [ 0.0113541900000000, 0.0004358300000000, 0.0000699900000000 ] - [ 0.0034717100000000, 0.0007153600000000, 0.0030426400000000 ] - [ 0.0035681200000000, 0.0007574700000000, -0.0030996800000000 ] - [ 0.0047544000000000, -0.0049872100000000, -0.0005090600000000 ] - [ 0.0047358100000000, -0.0050436300000000, 0.0005764400000000 ] - [ 0.0024301800000000, -0.0029494400000000, -0.0000651400000000 ] - [ 0.0047544000000000, 0.0049872100000000, -0.0005090600000000 ] - [ 0.0047358100000000, 0.0050436300000000, 0.0005764400000000 ] - [ 0.0024301800000000, 0.0029494400000000, -0.0000651400000000 ] - [ 0.0075299800000000, -0.0037825900000000, 0.0002737300000000 ] - [ 0.0045917800000000, -0.0028214700000000, 0.0001143300000000 ] - [ 0.0075182500000000, -0.0037984300000000, -0.0002093600000000 ] - [ 0.0075299800000000, 0.0037825900000000, 0.0002737300000000 ] - [ 0.0045917800000000, 0.0028214700000000, 0.0001143300000000 ] - [ 0.0075182500000000, 0.0037984300000000, -0.0002093600000000 ] - [ -0.0092268600000000, 0.0000000000000000, -0.0038632100000000 ] - [ -0.0097000200000000, 0.0000000000000000, -0.0032686000000000 ] - [ -0.0097508700000000, 0.0000000000000000, -0.0044990700000000 ] - [ 0.0134899100000000, 0.0000000000000000, 0.0045060900000000 ] - [ 0.0129374800000000, 0.0000000000000000, 0.0044082600000000 ] - [ 0.0129515300000000, 0.0000000000000000, 0.0045455400000000 ] - [ 0.0053216700000000, 0.0012735400000000, -0.0001821700000000 ] - [ 0.0054134200000000, 0.0013153700000000, -0.0005334500000000 ] - [ 0.0026494100000000, 0.0001933500000000, -0.0002734300000000 ] - [ 0.0053216700000000, -0.0012735400000000, -0.0001821700000000 ] - [ 0.0054134200000000, -0.0013153700000000, -0.0005334500000000 ] - [ 0.0026494100000000, -0.0001933500000000, -0.0002734300000000 ] - [ 0.0040582800000000, 0.0029407700000000, 0.0000150100000000 ] - [ 0.0022080900000000, 0.0016664900000000, 0.0002981000000000 ] - [ 0.0039821200000000, 0.0029320200000000, 0.0007946100000000 ] - [ 0.0040582800000000, -0.0029407700000000, 0.0000150100000000 ] - [ 0.0022080900000000, -0.0016664900000000, 0.0002981000000000 ] - [ 0.0039821200000000, -0.0029320200000000, 0.0007946100000000 ] - [ 0.0049930500000000, 0.0032677900000000, 0.0002290200000000 ] - [ -0.0014363700000000, -0.0000311200000000, -0.0021092000000000 ] - [ -0.0016142300000000, -0.0001241600000000, 0.0021150800000000 ] - [ 0.0049930500000000, -0.0032677900000000, 0.0002290200000000 ] - [ -0.0014363700000000, 0.0000311200000000, -0.0021092000000000 ] - [ -0.0016142300000000, 0.0001241600000000, 0.0021150800000000 ] - [ 0.0075654100000000, -0.0033515400000000, -0.0156759800000000 ] - [ 0.0049979500000000, -0.0015009900000000, -0.0004294600000000 ] - [ 0.0072526800000000, -0.0032258300000000, 0.0159818700000000 ] - [ 0.0075654100000000, 0.0033515400000000, -0.0156759800000000 ] - [ 0.0049979500000000, 0.0015009900000000, -0.0004294600000000 ] - [ 0.0072526800000000, 0.0032258300000000, 0.0159818700000000 ] - [ -0.0140116600000000, 0.0273240100000000, 0.0014122400000000 ] - [ -0.0037323100000000, 0.0045461000000000, -0.0003493500000000 ] - [ -0.0035692500000000, 0.0041418000000000, 0.0011674300000000 ] - [ -0.0140116600000000, -0.0273240100000000, 0.0014122400000000 ] - [ -0.0037323100000000, -0.0045461000000000, -0.0003493500000000 ] - [ -0.0035692500000000, -0.0041418000000000, 0.0011674300000000 ] - [ -0.0023040200000000, 0.0092946000000000, -0.0017105100000000 ] - [ -0.0022630600000000, -0.0004023900000000, -0.0025038300000000 ] - [ -0.0036109300000000, 0.0004489400000000, 0.0009694300000000 ] - [ -0.0023040200000000, -0.0092946000000000, -0.0017105100000000 ] - [ -0.0022630600000000, 0.0004023900000000, -0.0025038300000000 ] - [ -0.0036109300000000, -0.0004489400000000, 0.0009694300000000 ] - [ -0.0161630200000000, 0.0000000000000000, 0.0034189400000000 ] - [ -0.0137720500000000, 0.0000000000000000, 0.0046420600000000 ] - [ -0.0164097200000000, 0.0000000000000000, 0.0068973500000000 ] - [ 0.0014665900000000, 0.0000000000000000, -0.0001951000000000 ] - [ -0.0009244400000000, 0.0000000000000000, 0.0011174400000000 ] - [ -0.0008764600000000, 0.0000000000000000, -0.0017918200000000 ] - [ 0.0031044000000000, 0.0000000000000000, -0.0017263800000000 ] - [ 0.0032816800000000, 0.0000000000000000, 0.0012142200000000 ] - [ 0.0005961700000000, 0.0000000000000000, -0.0002910300000000 ] - [ 0.0010421800000000, 0.0000000000000000, -0.0003410100000000 ] - [ 0.0004158600000000, 0.0000000000000000, 0.0002417600000000 ] - [ 0.0010503900000000, 0.0000000000000000, 0.0008843800000000 ] - [ 0.0091281600000000, 0.0000000000000000, 0.0004945600000000 ] - [ 0.0000067400000000, 0.0000000000000000, -0.0009496100000000 ] - [ -0.0001185800000000, 0.0000000000000000, 0.0013225500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0164320000000000, -0.2337329400000000, 0.0044393000000000 ] - [ -0.0133717600000000, -0.0118101600000000, 0.0036630200000000 ] - [ -0.0133819300000000, -0.0118102700000000, 0.0040363300000000 ] - [ -0.0319376800000000, 0.0840171600000000, 0.0015905900000000 ] - [ 0.0059694200000000, 0.0007502700000000, -0.0113838400000000 ] - [ 0.0060994900000000, 0.0010271200000000, 0.0114248900000000 ] - [ 0.0379657800000000, 0.0844910000000000, -0.0014940100000000 ] - [ -0.0003011200000000, 0.0009230300000000, 0.0115080200000000 ] - [ -0.0004055900000000, 0.0012493000000000, -0.0113941000000000 ] - [ 0.0056970800000000, -0.0028572000000000, -0.0050921000000000 ] - [ 0.0056138400000000, -0.0027059800000000, 0.0052280400000000 ] - [ -0.0005623900000000, -0.0009507900000000, 0.0000377200000000 ] - [ -0.0113759000000000, -0.0026247100000000, 0.0051744000000000 ] - [ -0.0113003300000000, -0.0024706800000000, -0.0051359900000000 ] - [ -0.0051480700000000, -0.0007221500000000, 0.0000395000000000 ] - [ 0.0133314700000000, 0.0065176300000000, 0.0039493900000000 ] - [ 0.0133310100000000, 0.0065173200000000, 0.0039534100000000 ] - [ 0.0133280100000000, 0.0031148300000000, 0.0039506800000000 ] - [ -0.0133369800000000, -0.0057209400000000, -0.0039487600000000 ] - [ -0.0133367500000000, -0.0029612000000000, -0.0039529100000000 ] - [ -0.0133369700000000, -0.0056641000000000, -0.0039535600000000 ] - [ 0.0081446900000000, 0.0020789500000000, -0.0031549100000000 ] - [ 0.0046644500000000, 0.0005942700000000, -0.0000857500000000 ] - [ 0.0079835000000000, 0.0019513800000000, 0.0031297400000000 ] - [ -0.0024639000000000, 0.0023140700000000, 0.0030811000000000 ] - [ 0.0010291600000000, 0.0008246400000000, -0.0000030000000000 ] - [ -0.0023072300000000, 0.0021874300000000, -0.0032195800000000 ] - [ -0.0576937800000000, 0.0266253800000000, -0.0012352500000000 ] - [ -0.0029576100000000, -0.0004559500000000, 0.0065540100000000 ] - [ -0.0024076500000000, -0.0004990300000000, -0.0064757700000000 ] - [ 0.0515709600000000, 0.0266732400000000, 0.0011528500000000 ] - [ -0.0026790000000000, -0.0001984000000000, -0.0066105300000000 ] - [ -0.0032651300000000, -0.0002653800000000, 0.0063517800000000 ] - [ 0.0134302400000000, 0.0486481200000000, -0.0039437800000000 ] - [ 0.0133437000000000, 0.0095174900000000, -0.0039434500000000 ] - [ 0.0133435700000000, 0.0088253500000000, -0.0039571900000000 ] - [ 0.0115325800000000, 0.0015192900000000, -0.0036080200000000 ] - [ 0.0115710600000000, 0.0062808900000000, -0.0048378400000000 ] - [ 0.0113635300000000, 0.0012154900000000, -0.0041468500000000 ] - [ -0.0211344100000000, -0.0229232500000000, -0.0006417000000000 ] - [ -0.0038462900000000, -0.0037816200000000, 0.0007822100000000 ] - [ -0.0039387000000000, -0.0037413100000000, -0.0004408800000000 ] - [ 0.0186715200000000, -0.0200577500000000, 0.0010251200000000 ] - [ 0.0015540200000000, -0.0009883400000000, -0.0003982000000000 ] - [ 0.0016530400000000, -0.0009554100000000, 0.0008357400000000 ] - [ 0.0466344800000000, 0.0361670300000000, -0.0032260100000000 ] - [ 0.0034778200000000, 0.0054514800000000, -0.0007027400000000 ] - [ 0.0032386000000000, 0.0049254500000000, 0.0003260000000000 ] - [ -0.0433198300000000, 0.0345526700000000, 0.0026052900000000 ] - [ -0.0038900100000000, 0.0067472600000000, 0.0003674600000000 ] - [ -0.0036946100000000, 0.0062855600000000, -0.0007039200000000 ] - [ -0.0088578300000000, -0.0014323200000000, 0.0187461400000000 ] - [ -0.0086458700000000, -0.0015401600000000, -0.0184754800000000 ] - [ -0.0043794500000000, 0.0008607400000000, -0.0000039300000000 ] - [ 0.0029721800000000, -0.0028073700000000, -0.0187890300000000 ] - [ 0.0027644100000000, -0.0029190800000000, 0.0183719800000000 ] - [ -0.0014627800000000, -0.0005502900000000, -0.0000402100000000 ] - [ -0.0064701100000000, 0.0000749700000000, -0.0001301600000000 ] - [ 0.0020039500000000, -0.0000205700000000, -0.0021961300000000 ] - [ 0.0019992100000000, -0.0000197100000000, 0.0021281300000000 ] - [ 0.0123329300000000, 0.0014892100000000, 0.0000621400000000 ] - [ 0.0038572000000000, 0.0013921000000000, 0.0021252000000000 ] - [ 0.0038563900000000, 0.0013928700000000, -0.0021811100000000 ] - [ 0.0032178800000000, -0.0042512800000000, -0.0003865400000000 ] - [ 0.0031892900000000, -0.0042633500000000, 0.0003067200000000 ] - [ 0.0014293300000000, -0.0023677100000000, -0.0001281800000000 ] - [ -0.0027389700000000, -0.0028571200000000, 0.0000068600000000 ] - [ -0.0027088200000000, -0.0028674600000000, -0.0006881400000000 ] - [ -0.0009432600000000, -0.0009733600000000, -0.0002500800000000 ] - [ -0.0018598800000000, 0.0005771500000000, 0.0000410800000000 ] - [ -0.0001946400000000, -0.0004887500000000, 0.0002216700000000 ] - [ -0.0018781600000000, 0.0005804500000000, 0.0004716500000000 ] - [ 0.0041336300000000, 0.0033618700000000, 0.0003465100000000 ] - [ 0.0024736900000000, 0.0022970300000000, 0.0001679600000000 ] - [ 0.0041498100000000, 0.0033636700000000, -0.0000840000000000 ] - [ -0.0113269900000000, -0.0009781000000000, -0.0041906000000000 ] - [ -0.0113272500000000, -0.0007474100000000, -0.0041903400000000 ] - [ -0.0113269200000000, -0.0007240100000000, -0.0041869000000000 ] - [ 0.0113279900000000, 0.0009352700000000, 0.0041882400000000 ] - [ 0.0113279400000000, 0.0007262000000000, 0.0041883000000000 ] - [ 0.0113280900000000, 0.0007343200000000, 0.0041922300000000 ] - [ -0.0034037600000000, -0.0029212400000000, -0.0003220100000000 ] - [ -0.0034534400000000, -0.0029488800000000, 0.0000339200000000 ] - [ -0.0021471600000000, -0.0021134800000000, -0.0001701700000000 ] - [ 0.0011371300000000, -0.0001411800000000, -0.0000670100000000 ] - [ 0.0011860700000000, -0.0001681600000000, -0.0004238900000000 ] - [ -0.0001211100000000, 0.0006671300000000, -0.0002163500000000 ] - [ 0.0016787300000000, 0.0017640800000000, 0.0001348600000000 ] - [ 0.0006669500000000, 0.0006002500000000, 0.0002406500000000 ] - [ 0.0016472100000000, 0.0017530700000000, 0.0004830500000000 ] - [ -0.0021565700000000, 0.0031538600000000, 0.0002434800000000 ] - [ -0.0011470900000000, 0.0019895500000000, 0.0001408700000000 ] - [ -0.0021239900000000, 0.0031412500000000, -0.0001027400000000 ] - [ -0.0097864600000000, -0.0042547600000000, -0.0000751600000000 ] - [ -0.0036866300000000, -0.0013399200000000, 0.0014427400000000 ] - [ -0.0036149300000000, -0.0013035300000000, -0.0013551600000000 ] - [ 0.0039290400000000, -0.0028385100000000, 0.0001352000000000 ] - [ -0.0021714900000000, 0.0000748900000000, -0.0013835100000000 ] - [ -0.0022377100000000, 0.0001092800000000, 0.0014273000000000 ] - [ 0.0066041800000000, -0.0011870100000000, -0.0122795800000000 ] - [ 0.0042908100000000, -0.0006584400000000, -0.0001845300000000 ] - [ 0.0064144500000000, -0.0011997700000000, 0.0123596600000000 ] - [ -0.0007444700000000, 0.0002267700000000, 0.0122803000000000 ] - [ 0.0015592200000000, 0.0007528600000000, 0.0002611500000000 ] - [ -0.0005510800000000, 0.0002182600000000, -0.0122434300000000 ] - [ 0.0099522500000000, -0.0262060900000000, -0.0009447700000000 ] - [ 0.0023348200000000, -0.0045861000000000, 0.0005918700000000 ] - [ 0.0022694900000000, -0.0043994200000000, -0.0004391000000000 ] - [ -0.0094806700000000, -0.0249244800000000, 0.0013279800000000 ] - [ -0.0018575700000000, -0.0031917700000000, -0.0002149000000000 ] - [ -0.0017940100000000, -0.0030159800000000, 0.0008232200000000 ] - [ 0.0224442700000000, 0.0048503500000000, -0.0008899000000000 ] - [ 0.0009610500000000, -0.0002638600000000, -0.0018418900000000 ] - [ 0.0002139900000000, 0.0000910600000000, 0.0007138200000000 ] - [ -0.0210520400000000, 0.0068061500000000, 0.0004195800000000 ] - [ 0.0012368000000000, 0.0024870800000000, 0.0014843900000000 ] - [ 0.0020290600000000, 0.0028634500000000, -0.0011081800000000 ] - [ -0.0113303800000000, -0.0043042900000000, 0.0041845400000000 ] - [ -0.0113294200000000, -0.0016667800000000, 0.0041931200000000 ] - [ -0.0113302200000000, -0.0042715800000000, 0.0041814400000000 ] - [ -0.0001793700000000, -0.0211652500000000, -0.0002721600000000 ] - [ -0.0001682700000000, -0.0040682000000000, -0.0002710000000000 ] - [ -0.0001697600000000, -0.0041030100000000, -0.0002663200000000 ] - [ 0.0001669900000000, 0.0032903700000000, -0.0002669100000000 ] - [ 0.0001688600000000, 0.0033076200000000, -0.0002722500000000 ] - [ 0.0001728300000000, 0.0013608700000000, -0.0002682200000000 ] - [ -0.0001699800000000, -0.0019710600000000, 0.0002677800000000 ] - [ -0.0001711100000000, -0.0009981600000000, 0.0002698400000000 ] - [ -0.0001699000000000, -0.0019522500000000, 0.0002696500000000 ] - [ 0.0001857600000000, 0.0149738200000000, 0.0002680800000000 ] - [ 0.0001680600000000, 0.0028792900000000, 0.0002683300000000 ] - [ 0.0001701500000000, 0.0027285400000000, 0.0002723200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014445300000000, 0.0000000000000000, -0.3642728500000000 ] - [ -0.0066538800000000, 0.0000000000000000, 0.1508910500000000 ] - [ -0.0276280000000000, 0.0000000000000000, 0.1499226200000000 ] - [ 0.0018797300000000, 0.0027642700000000, -0.0101795600000000 ] - [ 0.0130008100000000, -0.0140089900000000, 0.0047574400000000 ] - [ -0.0070960200000000, 0.0154208500000000, 0.0047754800000000 ] - [ 0.0018797300000000, -0.0027642700000000, -0.0101795600000000 ] - [ 0.0130008100000000, 0.0140089900000000, 0.0047574400000000 ] - [ -0.0070960200000000, -0.0154208500000000, 0.0047754800000000 ] - [ -0.0059719700000000, -0.0013463700000000, -0.0019476000000000 ] - [ -0.0004333200000000, 0.0013131600000000, -0.0018986900000000 ] - [ -0.0033197300000000, 0.0000038300000000, 0.0039963800000000 ] - [ -0.0059719700000000, 0.0013463700000000, -0.0019476000000000 ] - [ -0.0004333200000000, -0.0013131600000000, -0.0018986900000000 ] - [ -0.0033197300000000, -0.0000038300000000, 0.0039963800000000 ] - [ 0.0122450100000000, 0.0000000000000000, 0.0033334200000000 ] - [ 0.0133817100000000, 0.0000000000000000, 0.0033315000000000 ] - [ 0.0129013400000000, 0.0000000000000000, 0.0051382500000000 ] - [ -0.0136139900000000, 0.0000000000000000, -0.0044945000000000 ] - [ -0.0137258500000000, 0.0000000000000000, -0.0027731700000000 ] - [ -0.0140337600000000, 0.0000000000000000, -0.0046541200000000 ] - [ 0.0010716600000000, -0.0006119400000000, -0.0012147600000000 ] - [ 0.0025562100000000, -0.0001806800000000, 0.0027380300000000 ] - [ 0.0038254400000000, 0.0003553900000000, -0.0017191500000000 ] - [ 0.0010716600000000, 0.0006119400000000, -0.0012147600000000 ] - [ 0.0025562100000000, 0.0001806800000000, 0.0027380300000000 ] - [ 0.0038254400000000, -0.0003553900000000, -0.0017191500000000 ] - [ -0.0032356400000000, 0.0005312200000000, -0.0093163900000000 ] - [ -0.0164349600000000, 0.0076972100000000, 0.0040413500000000 ] - [ 0.0106375300000000, -0.0072113300000000, 0.0035060500000000 ] - [ -0.0032356400000000, -0.0005312200000000, -0.0093163900000000 ] - [ -0.0164349600000000, -0.0076972100000000, 0.0040413500000000 ] - [ 0.0106375300000000, 0.0072113300000000, 0.0035060500000000 ] - [ 0.0149753500000000, 0.0000000000000000, -0.0103351900000000 ] - [ 0.0131144300000000, 0.0000000000000000, -0.0004972900000000 ] - [ 0.0153927100000000, 0.0000000000000000, -0.0011809900000000 ] - [ 0.0317669800000000, 0.0000000000000000, 0.0004180000000000 ] - [ -0.0176922100000000, 0.0000000000000000, 0.1520584700000000 ] - [ 0.0129094400000000, 0.0000000000000000, -0.0758160500000000 ] - [ -0.0018322500000000, -0.0018740900000000, 0.0013541600000000 ] - [ -0.0002381300000000, 0.0002861400000000, -0.0005682300000000 ] - [ -0.0033380400000000, -0.0036066400000000, -0.0003384200000000 ] - [ -0.0018322500000000, 0.0018740900000000, 0.0013541600000000 ] - [ -0.0002381300000000, -0.0002861400000000, -0.0005682300000000 ] - [ -0.0033380400000000, 0.0036066400000000, -0.0003384200000000 ] - [ -0.0066673800000000, -0.0069579900000000, 0.0143324000000000 ] - [ -0.0126419600000000, -0.0193784900000000, -0.0086208800000000 ] - [ 0.0148596400000000, 0.0220636800000000, -0.0074628100000000 ] - [ -0.0066673800000000, 0.0069579900000000, 0.0143324000000000 ] - [ -0.0126419600000000, 0.0193784900000000, -0.0086208800000000 ] - [ 0.0148596400000000, -0.0220636800000000, -0.0074628100000000 ] - [ -0.0015492300000000, 0.0010170700000000, 0.0055978600000000 ] - [ -0.0041013400000000, 0.0005726900000000, 0.0059111100000000 ] - [ -0.0026814700000000, 0.0005725300000000, -0.0120560600000000 ] - [ -0.0015492300000000, -0.0010170700000000, 0.0055978600000000 ] - [ -0.0041013400000000, -0.0005726900000000, 0.0059111100000000 ] - [ -0.0026814700000000, -0.0005725300000000, -0.0120560600000000 ] - [ 0.0031406300000000, -0.0007187900000000, 0.0025701300000000 ] - [ 0.0009794100000000, -0.0007186400000000, -0.0013872100000000 ] - [ 0.0052183500000000, -0.0007791000000000, -0.0012224000000000 ] - [ 0.0031406300000000, 0.0007187900000000, 0.0025701300000000 ] - [ 0.0009794100000000, 0.0007186400000000, -0.0013872100000000 ] - [ 0.0052183500000000, 0.0007791000000000, -0.0012224000000000 ] - [ 0.0009956800000000, -0.0014282000000000, 0.0000210700000000 ] - [ -0.0001712100000000, -0.0002781600000000, 0.0000129500000000 ] - [ 0.0004098400000000, -0.0008124700000000, -0.0005735500000000 ] - [ 0.0009956800000000, 0.0014282000000000, 0.0000210700000000 ] - [ -0.0001712100000000, 0.0002781600000000, 0.0000129500000000 ] - [ 0.0004098400000000, 0.0008124700000000, -0.0005735500000000 ] - [ 0.0005955400000000, -0.0013248300000000, 0.0003038800000000 ] - [ 0.0013942100000000, -0.0015011100000000, -0.0000442300000000 ] - [ 0.0021171100000000, -0.0016596400000000, 0.0003080500000000 ] - [ 0.0005955400000000, 0.0013248300000000, 0.0003038800000000 ] - [ 0.0013942100000000, 0.0015011100000000, -0.0000442300000000 ] - [ 0.0021171100000000, 0.0016596400000000, 0.0003080500000000 ] - [ -0.0112124500000000, 0.0000000000000000, -0.0028759100000000 ] - [ -0.0112838800000000, 0.0000000000000000, -0.0048381300000000 ] - [ -0.0112399500000000, 0.0000000000000000, -0.0048127200000000 ] - [ 0.0114292400000000, 0.0000000000000000, 0.0054251400000000 ] - [ 0.0113557300000000, 0.0000000000000000, 0.0035167500000000 ] - [ 0.0114246400000000, 0.0000000000000000, 0.0036671400000000 ] - [ -0.0012804300000000, -0.0014861600000000, -0.0000804800000000 ] - [ -0.0004438500000000, -0.0010635300000000, -0.0000945200000000 ] - [ -0.0009207700000000, -0.0012993100000000, -0.0004052300000000 ] - [ -0.0012804300000000, 0.0014861600000000, -0.0000804800000000 ] - [ -0.0004438500000000, 0.0010635300000000, -0.0000945200000000 ] - [ -0.0009207700000000, 0.0012993100000000, -0.0004052300000000 ] - [ 0.0001807100000000, -0.0003891900000000, 0.0003118500000000 ] - [ -0.0001212400000000, -0.0006047500000000, -0.0001033000000000 ] - [ -0.0003135800000000, -0.0006470900000000, 0.0003849200000000 ] - [ 0.0001807100000000, 0.0003891900000000, 0.0003118500000000 ] - [ -0.0001212400000000, 0.0006047500000000, -0.0001033000000000 ] - [ -0.0003135800000000, 0.0006470900000000, 0.0003849200000000 ] - [ -0.0024273000000000, -0.0004741100000000, 0.0020120300000000 ] - [ -0.0010318800000000, 0.0000831200000000, -0.0009651500000000 ] - [ -0.0047295300000000, -0.0014440000000000, -0.0008152600000000 ] - [ -0.0024273000000000, 0.0004741100000000, 0.0020120300000000 ] - [ -0.0010318800000000, -0.0000831200000000, -0.0009651500000000 ] - [ -0.0047295300000000, 0.0014440000000000, -0.0008152600000000 ] - [ 0.0042587600000000, -0.0017181500000000, 0.0042088700000000 ] - [ 0.0031501700000000, -0.0008093100000000, -0.0091823700000000 ] - [ 0.0021833400000000, -0.0000783800000000, 0.0049363100000000 ] - [ 0.0042587600000000, 0.0017181500000000, 0.0042088700000000 ] - [ 0.0031501700000000, 0.0008093100000000, -0.0091823700000000 ] - [ 0.0021833400000000, 0.0000783800000000, 0.0049363100000000 ] - [ -0.0002162400000000, 0.0000395200000000, 0.0010383500000000 ] - [ -0.0002247800000000, 0.0021500700000000, -0.0002865500000000 ] - [ 0.0002813000000000, -0.0029579700000000, -0.0001233200000000 ] - [ -0.0002162400000000, -0.0000395200000000, 0.0010383500000000 ] - [ -0.0002247800000000, -0.0021500700000000, -0.0002865500000000 ] - [ 0.0002813000000000, 0.0029579700000000, -0.0001233200000000 ] - [ 0.0088132000000000, -0.0072886500000000, 0.0128615100000000 ] - [ 0.0161350200000000, -0.0099631800000000, -0.0086514400000000 ] - [ -0.0151020600000000, 0.0076800300000000, -0.0076370500000000 ] - [ 0.0088132000000000, 0.0072886500000000, 0.0128615100000000 ] - [ 0.0161350200000000, 0.0099631800000000, -0.0086514400000000 ] - [ -0.0151020600000000, -0.0076800300000000, -0.0076370500000000 ] - [ -0.0111944300000000, 0.0000000000000000, 0.0070503100000000 ] - [ -0.0113858700000000, 0.0000000000000000, -0.0020551900000000 ] - [ -0.0119067100000000, 0.0000000000000000, 0.0076201500000000 ] - [ -0.0002450300000000, 0.0000000000000000, 0.0010555100000000 ] - [ -0.0011648400000000, 0.0000000000000000, -0.0009234900000000 ] - [ 0.0008644600000000, 0.0000000000000000, -0.0007544900000000 ] - [ 0.0017827700000000, 0.0000000000000000, 0.0000231800000000 ] - [ -0.0015727900000000, 0.0000000000000000, 0.0000351700000000 ] - [ 0.0002168500000000, 0.0000000000000000, -0.0009863500000000 ] - [ -0.0000001900000000, 0.0000000000000000, 0.0004387200000000 ] - [ -0.0001493900000000, 0.0000000000000000, -0.0001169400000000 ] - [ -0.0002608700000000, 0.0000000000000000, 0.0004827400000000 ] - [ 0.0000241000000000, 0.0000000000000000, 0.0013952400000000 ] - [ 0.0015806700000000, 0.0000000000000000, -0.0003272200000000 ] - [ -0.0012767200000000, 0.0000000000000000, -0.0002599200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0227502400000000, 0.0000000000000000, 0.3622216300000000 ] - [ -0.0200981700000000, 0.0000000000000000, -0.1433148900000000 ] - [ 0.0012110300000000, 0.0000000000000000, -0.1442888900000000 ] - [ 0.0037156700000000, -0.0027599900000000, 0.0103136700000000 ] - [ -0.0072957700000000, 0.0137863600000000, -0.0047245900000000 ] - [ 0.0129122500000000, -0.0158202600000000, -0.0046906400000000 ] - [ 0.0037156700000000, 0.0027599900000000, 0.0103136700000000 ] - [ -0.0072957700000000, -0.0137863600000000, -0.0047245900000000 ] - [ 0.0129122500000000, 0.0158202600000000, -0.0046906400000000 ] - [ 0.0002631700000000, 0.0011304600000000, 0.0020543800000000 ] - [ -0.0052970900000000, -0.0015279000000000, 0.0019781000000000 ] - [ -0.0023862400000000, -0.0002310100000000, -0.0039300800000000 ] - [ 0.0002631700000000, -0.0011304600000000, 0.0020543800000000 ] - [ -0.0052970900000000, 0.0015279000000000, 0.0019781000000000 ] - [ -0.0023862400000000, 0.0002310100000000, -0.0039300800000000 ] - [ 0.0143974800000000, 0.0000000000000000, 0.0045730000000000 ] - [ 0.0132546400000000, 0.0000000000000000, 0.0045727800000000 ] - [ 0.0137465400000000, 0.0000000000000000, 0.0027614700000000 ] - [ -0.0130754900000000, 0.0000000000000000, -0.0034083400000000 ] - [ -0.0129600100000000, 0.0000000000000000, -0.0051375700000000 ] - [ -0.0126575400000000, 0.0000000000000000, -0.0032492600000000 ] - [ 0.0046123600000000, 0.0003791400000000, 0.0011483300000000 ] - [ 0.0031268000000000, -0.0000536000000000, -0.0028359800000000 ] - [ 0.0018457000000000, -0.0005920900000000, 0.0016322900000000 ] - [ 0.0046123600000000, -0.0003791400000000, 0.0011483300000000 ] - [ 0.0031268000000000, 0.0000536000000000, -0.0028359800000000 ] - [ 0.0018457000000000, 0.0005920900000000, 0.0016322900000000 ] - [ -0.0025167300000000, -0.0007170100000000, 0.0092773300000000 ] - [ 0.0107379700000000, -0.0079080800000000, -0.0041143200000000 ] - [ -0.0164683100000000, 0.0070701000000000, -0.0036297400000000 ] - [ -0.0025167300000000, 0.0007170100000000, 0.0092773300000000 ] - [ 0.0107379700000000, 0.0079080800000000, -0.0041143200000000 ] - [ -0.0164683100000000, -0.0070701000000000, -0.0036297400000000 ] - [ 0.0117885100000000, 0.0000000000000000, 0.0024564600000000 ] - [ 0.0136034300000000, 0.0000000000000000, -0.0074206400000000 ] - [ 0.0113197300000000, 0.0000000000000000, -0.0067344400000000 ] - [ -0.0100409900000000, 0.0000000000000000, -0.0141147300000000 ] - [ 0.0387012500000000, 0.0000000000000000, -0.1449948900000000 ] - [ 0.0097102900000000, 0.0000000000000000, 0.0680906000000000 ] - [ -0.0005120900000000, -0.0009515400000000, -0.0009667500000000 ] - [ -0.0020771200000000, -0.0030817100000000, 0.0009581500000000 ] - [ 0.0010399100000000, 0.0008296100000000, 0.0007302300000000 ] - [ -0.0005120900000000, 0.0009515400000000, -0.0009667500000000 ] - [ -0.0020771200000000, 0.0030817100000000, 0.0009581500000000 ] - [ 0.0010399100000000, -0.0008296100000000, 0.0007302300000000 ] - [ 0.0056413100000000, 0.0050338500000000, -0.0143644800000000 ] - [ 0.0122431600000000, 0.0180958800000000, 0.0082035600000000 ] - [ -0.0154527500000000, -0.0236327100000000, 0.0072340500000000 ] - [ 0.0056413100000000, -0.0050338500000000, -0.0143644800000000 ] - [ 0.0122431600000000, -0.0180958800000000, 0.0082035600000000 ] - [ -0.0154527500000000, 0.0236327100000000, 0.0072340500000000 ] - [ -0.0043009900000000, 0.0003840700000000, -0.0057548400000000 ] - [ -0.0017248200000000, 0.0008389000000000, -0.0059290700000000 ] - [ -0.0031758900000000, 0.0008170700000000, 0.0120648200000000 ] - [ -0.0043009900000000, -0.0003840700000000, -0.0057548400000000 ] - [ -0.0017248200000000, -0.0008389000000000, -0.0059290700000000 ] - [ -0.0031758900000000, -0.0008170700000000, 0.0120648200000000 ] - [ 0.0027368200000000, -0.0007002700000000, -0.0026467900000000 ] - [ 0.0048869800000000, -0.0007004500000000, 0.0013329100000000 ] - [ 0.0006274600000000, -0.0006383200000000, 0.0011589400000000 ] - [ 0.0027368200000000, 0.0007002700000000, -0.0026467900000000 ] - [ 0.0048869800000000, 0.0007004500000000, 0.0013329100000000 ] - [ 0.0006274600000000, 0.0006383200000000, 0.0011589400000000 ] - [ -0.0005064500000000, 0.0000323100000000, -0.0004024700000000 ] - [ 0.0006650900000000, -0.0011216600000000, -0.0003928800000000 ] - [ 0.0000764100000000, -0.0005829100000000, 0.0001964400000000 ] - [ -0.0005064500000000, -0.0000323100000000, -0.0004024700000000 ] - [ 0.0006650900000000, 0.0011216600000000, -0.0003928800000000 ] - [ 0.0000764100000000, 0.0005829100000000, 0.0001964400000000 ] - [ 0.0016920800000000, -0.0014661500000000, 0.0000839400000000 ] - [ 0.0008892400000000, -0.0012866400000000, 0.0004346600000000 ] - [ 0.0001654400000000, -0.0011285100000000, 0.0000785700000000 ] - [ 0.0016920800000000, 0.0014661500000000, 0.0000839400000000 ] - [ 0.0008892400000000, 0.0012866400000000, 0.0004346600000000 ] - [ 0.0001654400000000, 0.0011285100000000, 0.0000785700000000 ] - [ -0.0114373400000000, 0.0000000000000000, -0.0055088700000000 ] - [ -0.0113668400000000, 0.0000000000000000, -0.0035370200000000 ] - [ -0.0114112100000000, 0.0000000000000000, -0.0035645000000000 ] - [ 0.0112287500000000, 0.0000000000000000, 0.0029501500000000 ] - [ 0.0113016400000000, 0.0000000000000000, 0.0048671700000000 ] - [ 0.0112327500000000, 0.0000000000000000, 0.0047159800000000 ] - [ -0.0009766700000000, -0.0012901600000000, -0.0003086000000000 ] - [ -0.0018154800000000, -0.0017140800000000, -0.0002964200000000 ] - [ -0.0013401800000000, -0.0014779000000000, 0.0000188100000000 ] - [ -0.0009766700000000, 0.0012901600000000, -0.0003086000000000 ] - [ -0.0018154800000000, 0.0017140800000000, -0.0002964200000000 ] - [ -0.0013401800000000, 0.0014779000000000, 0.0000188100000000 ] - [ -0.0006557200000000, -0.0009948800000000, 0.0000670600000000 ] - [ -0.0003540200000000, -0.0007797300000000, 0.0004856600000000 ] - [ -0.0001583900000000, -0.0007347700000000, -0.0000053600000000 ] - [ -0.0006557200000000, 0.0009948800000000, 0.0000670600000000 ] - [ -0.0003540200000000, 0.0007797300000000, 0.0004856600000000 ] - [ -0.0001583900000000, 0.0007347700000000, -0.0000053600000000 ] - [ -0.0034017000000000, -0.0009281500000000, -0.0019575600000000 ] - [ -0.0048270800000000, -0.0014982600000000, 0.0010311400000000 ] - [ -0.0011107000000000, 0.0000364900000000, 0.0008868000000000 ] - [ -0.0034017000000000, 0.0009281500000000, -0.0019575600000000 ] - [ -0.0048270800000000, 0.0014982600000000, 0.0010311400000000 ] - [ -0.0011107000000000, -0.0000364900000000, 0.0008868000000000 ] - [ 0.0016076400000000, 0.0002934400000000, -0.0041770300000000 ] - [ 0.0027138500000000, -0.0006149100000000, 0.0092974900000000 ] - [ 0.0036969100000000, -0.0013531300000000, -0.0048873300000000 ] - [ 0.0016076400000000, -0.0002934400000000, -0.0041770300000000 ] - [ 0.0027138500000000, 0.0006149100000000, 0.0092974900000000 ] - [ 0.0036969100000000, 0.0013531300000000, -0.0048873300000000 ] - [ 0.0006787500000000, -0.0014010800000000, -0.0006644400000000 ] - [ 0.0006984500000000, -0.0035334900000000, 0.0006677300000000 ] - [ 0.0001882600000000, 0.0016022200000000, 0.0005062100000000 ] - [ 0.0006787500000000, 0.0014010800000000, -0.0006644400000000 ] - [ 0.0006984500000000, 0.0035334900000000, 0.0006677300000000 ] - [ 0.0001882600000000, -0.0016022200000000, 0.0005062100000000 ] - [ -0.0058910300000000, 0.0040153700000000, -0.0129998400000000 ] - [ -0.0139125100000000, 0.0072124500000000, 0.0082413500000000 ] - [ 0.0175084400000000, -0.0105386200000000, 0.0073898900000000 ] - [ -0.0058910300000000, -0.0040153700000000, -0.0129998400000000 ] - [ -0.0139125100000000, -0.0072124500000000, 0.0082413500000000 ] - [ 0.0175084400000000, 0.0105386200000000, 0.0073898900000000 ] - [ -0.0114709200000000, 0.0000000000000000, 0.0013204700000000 ] - [ -0.0112763200000000, 0.0000000000000000, 0.0104641900000000 ] - [ -0.0107558000000000, 0.0000000000000000, 0.0007401600000000 ] - [ -0.0000929200000000, 0.0000000000000000, -0.0015920300000000 ] - [ 0.0008295100000000, 0.0000000000000000, 0.0003965200000000 ] - [ -0.0012099300000000, 0.0000000000000000, 0.0002139300000000 ] - [ -0.0014536900000000, 0.0000000000000000, -0.0005660300000000 ] - [ 0.0019043900000000, 0.0000000000000000, -0.0005719500000000 ] - [ 0.0001225400000000, 0.0000000000000000, 0.0004519000000000 ] - [ -0.0003402100000000, 0.0000000000000000, 0.0000971200000000 ] - [ -0.0001905900000000, 0.0000000000000000, 0.0006577100000000 ] - [ -0.0000782100000000, 0.0000000000000000, 0.0000548800000000 ] - [ 0.0003050500000000, 0.0000000000000000, -0.0008599800000000 ] - [ -0.0012436300000000, 0.0000000000000000, 0.0008670700000000 ] - [ 0.0016278300000000, 0.0000000000000000, 0.0008042800000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060080900000000, -0.0350160000000000, 0.0030198300000000 ] - [ -0.0212561500000000, 0.0032471400000000, -0.0060782300000000 ] - [ -0.0218444200000000, 0.0031308000000000, 0.0141078400000000 ] - [ -0.3936787700000000, -0.0420723800000000, -0.0010897600000000 ] - [ -0.0136890200000000, 0.0006111000000000, 0.0123239400000000 ] - [ -0.0136909200000000, 0.0005590600000000, -0.0123594300000000 ] - [ -0.0244112700000000, -0.0131548700000000, -0.0000744800000000 ] - [ -0.0043650300000000, -0.0016800900000000, -0.0007166200000000 ] - [ -0.0043661400000000, -0.0017326100000000, 0.0008916000000000 ] - [ -0.0068798300000000, 0.0024675700000000, -0.0001088500000000 ] - [ -0.0068792000000000, 0.0024383600000000, 0.0001463600000000 ] - [ -0.0051440800000000, 0.0009733100000000, 0.0000374000000000 ] - [ 0.0165473000000000, 0.0080506300000000, -0.0425124700000000 ] - [ 0.0165463700000000, 0.0075843400000000, 0.0431969300000000 ] - [ 0.0000491100000000, 0.0009441400000000, 0.0000450700000000 ] - [ 0.0252511900000000, -0.0085004200000000, 0.0015042300000000 ] - [ 0.0252755200000000, -0.0085802500000000, 0.0070883500000000 ] - [ 0.0174547700000000, -0.0022999800000000, 0.0044229800000000 ] - [ -0.0025219500000000, 0.0053244900000000, -0.0021751200000000 ] - [ -0.0080559600000000, 0.0018232600000000, -0.0036679500000000 ] - [ -0.0028050700000000, 0.0051641400000000, -0.0049487600000000 ] - [ 0.0121280300000000, 0.0000415900000000, -0.0015038900000000 ] - [ 0.0086492800000000, -0.0000248000000000, -0.0000518600000000 ] - [ 0.0120572600000000, 0.0000148400000000, 0.0014150200000000 ] - [ 0.0104893800000000, 0.0002282400000000, -0.0010020300000000 ] - [ 0.0083549900000000, 0.0001049800000000, -0.0000553300000000 ] - [ 0.0104022200000000, 0.0002458600000000, 0.0009170300000000 ] - [ 0.0068594200000000, 0.0037412200000000, -0.0000339200000000 ] - [ 0.0007009900000000, 0.0010726100000000, -0.0018366800000000 ] - [ 0.0004523700000000, 0.0008914000000000, 0.0016500200000000 ] - [ 0.0132654000000000, -0.0065875300000000, -0.0000089800000000 ] - [ 0.0005744700000000, -0.0008671800000000, -0.0031910200000000 ] - [ 0.0003797900000000, -0.0006697100000000, 0.0029934600000000 ] - [ 0.0699091600000000, 0.0546071400000000, -0.0042956500000000 ] - [ 0.0109884800000000, 0.0001445100000000, -0.0175249300000000 ] - [ 0.0097907800000000, -0.0004219300000000, 0.0096192200000000 ] - [ 0.0109627500000000, 0.0020613300000000, -0.0168534300000000 ] - [ 0.0102598100000000, 0.0022993900000000, 0.0085212900000000 ] - [ 0.0120682500000000, -0.0005875600000000, -0.0040780200000000 ] - [ 0.2199860200000000, 0.0795854900000000, 0.0026568000000000 ] - [ 0.0092381300000000, 0.0029650000000000, 0.0022345900000000 ] - [ 0.0089616500000000, 0.0028866000000000, -0.0017136700000000 ] - [ 0.0147055900000000, -0.0109763600000000, 0.0008411900000000 ] - [ 0.0033752700000000, -0.0002859100000000, 0.0009157200000000 ] - [ 0.0031962900000000, -0.0001864600000000, -0.0005800000000000 ] - [ 0.0077570800000000, 0.0094726000000000, -0.0007484800000000 ] - [ 0.0020650500000000, 0.0012546500000000, 0.0002911600000000 ] - [ 0.0022076200000000, 0.0014757900000000, -0.0006058000000000 ] - [ 0.0317790600000000, -0.0514173900000000, -0.0000526900000000 ] - [ 0.0077040000000000, -0.0086363100000000, -0.0006256600000000 ] - [ 0.0079024200000000, -0.0089227200000000, -0.0000123000000000 ] - [ 0.0005600800000000, 0.0014934800000000, -0.0018627400000000 ] - [ 0.0005105500000000, 0.0015556300000000, 0.0016839900000000 ] - [ -0.0007923800000000, 0.0006586000000000, -0.0001007500000000 ] - [ 0.0311636700000000, 0.0029349800000000, -0.0185570100000000 ] - [ 0.0303537800000000, 0.0027063600000000, 0.0168456600000000 ] - [ -0.0035862200000000, -0.0006653200000000, -0.0000493300000000 ] - [ 0.0070044900000000, -0.0023628900000000, 0.0000203400000000 ] - [ 0.0049549900000000, -0.0017850800000000, -0.0008646800000000 ] - [ 0.0049694300000000, -0.0017869400000000, 0.0008347100000000 ] - [ -0.0076430700000000, -0.0068591300000000, -0.0007648300000000 ] - [ 0.0068952000000000, 0.0018874800000000, -0.0078004900000000 ] - [ 0.0068853500000000, 0.0018335400000000, 0.0076954900000000 ] - [ -0.0082580900000000, 0.0089808400000000, 0.0028326100000000 ] - [ -0.0083561600000000, 0.0093591500000000, -0.0039003400000000 ] - [ -0.0016263400000000, 0.0018025800000000, -0.0003716600000000 ] - [ 0.0012857200000000, 0.0032013900000000, 0.0002205400000000 ] - [ 0.0012647100000000, 0.0031489100000000, -0.0005361200000000 ] - [ 0.0009214600000000, 0.0017076500000000, -0.0002397400000000 ] - [ 0.0012061900000000, -0.0023764500000000, 0.0001097800000000 ] - [ 0.0012108600000000, -0.0017372000000000, 0.0002198300000000 ] - [ 0.0011638700000000, -0.0023519300000000, 0.0003226200000000 ] - [ -0.0090932100000000, -0.0041313200000000, -0.0012222000000000 ] - [ -0.0018545600000000, -0.0002482400000000, 0.0002834300000000 ] - [ -0.0089923600000000, -0.0040917000000000, 0.0019212900000000 ] - [ -0.0135526600000000, 0.0011462300000000, -0.0042857500000000 ] - [ -0.0127252000000000, 0.0007487500000000, -0.0069807200000000 ] - [ -0.0125785800000000, 0.0006419700000000, -0.0020280700000000 ] - [ 0.0093086800000000, -0.0012096200000000, 0.0038739700000000 ] - [ 0.0100014000000000, -0.0008289500000000, 0.0026131500000000 ] - [ 0.0100293900000000, -0.0008138800000000, 0.0052820400000000 ] - [ -0.0067291900000000, -0.0033440100000000, 0.0000147400000000 ] - [ -0.0067061000000000, -0.0033344900000000, -0.0001336400000000 ] - [ -0.0044842600000000, -0.0026903100000000, -0.0001689800000000 ] - [ -0.0060658000000000, 0.0036948700000000, 0.0001037000000000 ] - [ -0.0060928100000000, 0.0036933500000000, -0.0001379700000000 ] - [ -0.0044374400000000, 0.0029015000000000, -0.0001830800000000 ] - [ -0.0035468100000000, -0.0041391100000000, -0.0000392200000000 ] - [ -0.0024610500000000, -0.0029650800000000, 0.0001216200000000 ] - [ -0.0034676900000000, -0.0040382000000000, -0.0000464100000000 ] - [ -0.0037619400000000, 0.0034262400000000, 0.0001320600000000 ] - [ -0.0024138800000000, 0.0026070400000000, 0.0001402500000000 ] - [ -0.0036894600000000, 0.0033602400000000, 0.0000161400000000 ] - [ -0.0079925700000000, -0.0017301900000000, -0.0000166000000000 ] - [ -0.0052119100000000, -0.0013243600000000, 0.0002980500000000 ] - [ -0.0051643400000000, -0.0013075200000000, -0.0002916600000000 ] - [ -0.0067584500000000, 0.0015460300000000, -0.0000110300000000 ] - [ -0.0050980700000000, 0.0012551500000000, 0.0001897900000000 ] - [ -0.0050413400000000, 0.0012332800000000, -0.0001854000000000 ] - [ -0.0000587000000000, 0.0000719500000000, 0.0027254600000000 ] - [ 0.0006346800000000, -0.0001378900000000, 0.0001948900000000 ] - [ 0.0000000900000000, 0.0000131000000000, -0.0027318800000000 ] - [ -0.0007005400000000, -0.0000032100000000, 0.0044760900000000 ] - [ 0.0005238700000000, 0.0000988600000000, 0.0001673300000000 ] - [ -0.0006242600000000, 0.0000541000000000, -0.0044685400000000 ] - [ -0.0124835200000000, 0.0080003500000000, 0.0007555100000000 ] - [ -0.0011306200000000, 0.0012107400000000, 0.0010134700000000 ] - [ -0.0007974000000000, 0.0007467700000000, -0.0008711300000000 ] - [ -0.0097451700000000, -0.0131322500000000, 0.0017050900000000 ] - [ -0.0017134500000000, -0.0020098900000000, 0.0009481000000000 ] - [ -0.0013633300000000, -0.0014915300000000, -0.0010497300000000 ] - [ -0.0025849900000000, 0.0007378200000000, -0.0005214900000000 ] - [ 0.0011041200000000, -0.0014277200000000, 0.0007395800000000 ] - [ 0.0010844300000000, -0.0014362900000000, -0.0007920200000000 ] - [ -0.0049677600000000, 0.0012884700000000, -0.0004697500000000 ] - [ 0.0013495500000000, 0.0016487200000000, 0.0007722500000000 ] - [ 0.0012883400000000, 0.0016293300000000, -0.0009313700000000 ] - [ -0.0155927100000000, -0.0048876500000000, 0.0214708600000000 ] - [ -0.0100299600000000, -0.0002459000000000, 0.0040845000000000 ] - [ -0.0154642100000000, -0.0049849200000000, -0.0126920100000000 ] - [ 0.0169831000000000, 0.0058716000000000, -0.0002233000000000 ] - [ 0.0012437200000000, 0.0029544800000000, -0.0012942900000000 ] - [ 0.0012285200000000, 0.0030109800000000, 0.0008104600000000 ] - [ 0.0008074100000000, -0.0055321900000000, 0.0015168000000000 ] - [ 0.0008487600000000, -0.0055183200000000, -0.0020246500000000 ] - [ 0.0003954900000000, -0.0015414600000000, -0.0002586600000000 ] - [ -0.0015418500000000, -0.0000789500000000, 0.0004857700000000 ] - [ -0.0009881200000000, -0.0000310700000000, 0.0002782400000000 ] - [ -0.0015565600000000, -0.0000758000000000, 0.0000691500000000 ] - [ -0.0017307000000000, 0.0007534100000000, 0.0002407600000000 ] - [ -0.0003301100000000, 0.0001209600000000, 0.0005402000000000 ] - [ -0.0003115000000000, 0.0001289700000000, 0.0000029100000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0325381500000000, 0.0348886700000000, 0.0048551800000000 ] - [ -0.0054010800000000, -0.0032582600000000, 0.0139319600000000 ] - [ -0.0048153700000000, -0.0031398000000000, -0.0061887500000000 ] - [ 0.4134679300000000, 0.0473090100000000, 0.0014403500000000 ] - [ 0.0194115000000000, -0.0008442400000000, -0.0122674300000000 ] - [ 0.0194093300000000, -0.0007986000000000, 0.0124657800000000 ] - [ 0.0300184100000000, 0.0132803100000000, 0.0001580900000000 ] - [ 0.0100266200000000, 0.0019167100000000, 0.0008031200000000 ] - [ 0.0100253500000000, 0.0019734200000000, -0.0008077800000000 ] - [ 0.0011424800000000, -0.0026842700000000, 0.0001858900000000 ] - [ 0.0011433800000000, -0.0026546500000000, -0.0000539300000000 ] - [ -0.0005787800000000, -0.0012028500000000, 0.0000473800000000 ] - [ -0.0221522700000000, -0.0077017300000000, 0.0421045000000000 ] - [ -0.0221532800000000, -0.0072427700000000, -0.0426110600000000 ] - [ -0.0057763100000000, -0.0007191500000000, 0.0000393200000000 ] - [ 0.0015150400000000, 0.0084152700000000, 0.0063672700000000 ] - [ 0.0014890500000000, 0.0084947700000000, 0.0008528500000000 ] - [ 0.0092222300000000, 0.0022879000000000, 0.0034893100000000 ] - [ -0.0240790600000000, -0.0052859500000000, -0.0057146400000000 ] - [ -0.0185899100000000, -0.0018134700000000, -0.0042375500000000 ] - [ -0.0237992700000000, -0.0051284100000000, -0.0029686500000000 ] - [ -0.0063732700000000, -0.0002737200000000, 0.0014175400000000 ] - [ -0.0029169400000000, -0.0002095500000000, -0.0000319400000000 ] - [ -0.0063028700000000, -0.0002473700000000, -0.0014975400000000 ] - [ -0.0047392600000000, 0.0000047400000000, 0.0009157000000000 ] - [ -0.0026198700000000, 0.0001280100000000, -0.0000284900000000 ] - [ -0.0046506900000000, -0.0000142900000000, -0.0010008300000000 ] - [ -0.0124950700000000, -0.0039520300000000, -0.0000525100000000 ] - [ -0.0063624800000000, -0.0013101600000000, 0.0017495400000000 ] - [ -0.0061130800000000, -0.0011222800000000, -0.0017290000000000 ] - [ -0.0189420400000000, 0.0067952000000000, -0.0000770500000000 ] - [ -0.0062429200000000, 0.0011066900000000, 0.0031065300000000 ] - [ -0.0060472100000000, 0.0009037400000000, -0.0030778400000000 ] - [ -0.0432356900000000, -0.0546618300000000, -0.0035732600000000 ] - [ 0.0156951100000000, -0.0001338500000000, 0.0096499600000000 ] - [ 0.0168984200000000, 0.0004354300000000, -0.0174882800000000 ] - [ 0.0116856200000000, -0.0020650600000000, 0.0084197000000000 ] - [ 0.0123838000000000, -0.0022999700000000, -0.0168055500000000 ] - [ 0.0105826600000000, 0.0005875600000000, -0.0042930300000000 ] - [ -0.2367136600000000, -0.0897347500000000, -0.0025297600000000 ] - [ -0.0115582000000000, -0.0057661400000000, -0.0018842100000000 ] - [ -0.0112750900000000, -0.0056835900000000, 0.0021361900000000 ] - [ -0.0169434500000000, 0.0137852800000000, -0.0004527200000000 ] - [ -0.0056372000000000, 0.0030615200000000, -0.0005295400000000 ] - [ -0.0054560500000000, 0.0029597900000000, 0.0009694000000000 ] - [ -0.0081936600000000, -0.0108124400000000, 0.0003653700000000 ] - [ -0.0025285000000000, -0.0026224900000000, -0.0006689000000000 ] - [ -0.0026749000000000, -0.0028493100000000, 0.0002260700000000 ] - [ -0.0323620900000000, 0.0539847900000000, -0.0003111800000000 ] - [ -0.0082020200000000, 0.0100615000000000, 0.0002470800000000 ] - [ -0.0084038100000000, 0.0103527100000000, -0.0003587200000000 ] - [ -0.0063859200000000, -0.0000811600000000, 0.0017854300000000 ] - [ -0.0063366700000000, -0.0001423900000000, -0.0017372500000000 ] - [ -0.0050431600000000, 0.0007475600000000, 0.0000356000000000 ] - [ -0.0372775500000000, -0.0043623300000000, 0.0178647200000000 ] - [ -0.0364504700000000, -0.0041313200000000, -0.0162789900000000 ] - [ -0.0021903200000000, -0.0007295100000000, -0.0000144400000000 ] - [ -0.0011221500000000, 0.0009371100000000, -0.0000840600000000 ] - [ 0.0009156300000000, 0.0003627500000000, 0.0007901800000000 ] - [ 0.0009023400000000, 0.0003643300000000, -0.0008857600000000 ] - [ 0.0143244100000000, 0.0087490800000000, 0.0006898000000000 ] - [ -0.0009800500000000, -0.0004522700000000, 0.0076645300000000 ] - [ -0.0009708000000000, -0.0003993100000000, -0.0076877400000000 ] - [ 0.0086693500000000, -0.0103029000000000, -0.0031585800000000 ] - [ 0.0087666800000000, -0.0106754700000000, 0.0034619100000000 ] - [ 0.0021105200000000, -0.0031882600000000, -0.0000089700000000 ] - [ -0.0007922100000000, -0.0017857100000000, -0.0005945100000000 ] - [ -0.0007714200000000, -0.0017340000000000, 0.0001518200000000 ] - [ -0.0004307000000000, -0.0003088200000000, -0.0001396000000000 ] - [ 0.0010674000000000, -0.0004135000000000, 0.0002775900000000 ] - [ 0.0010666400000000, -0.0010484300000000, 0.0001695300000000 ] - [ 0.0011089500000000, -0.0004373400000000, 0.0000669100000000 ] - [ 0.0113282700000000, 0.0068852300000000, 0.0016080800000000 ] - [ 0.0041274000000000, 0.0030289000000000, 0.0001054500000000 ] - [ 0.0112290300000000, 0.0068457500000000, -0.0015308700000000 ] - [ -0.0091208900000000, -0.0011322700000000, -0.0040945800000000 ] - [ -0.0099398700000000, -0.0007407000000000, -0.0014294300000000 ] - [ -0.0100843600000000, -0.0006352500000000, -0.0063254100000000 ] - [ 0.0133298400000000, 0.0012000200000000, 0.0045041300000000 ] - [ 0.0126436900000000, 0.0008230000000000, 0.0057532300000000 ] - [ 0.0126169300000000, 0.0008086800000000, 0.0031098500000000 ] - [ 0.0044148300000000, 0.0005490900000000, -0.0004004400000000 ] - [ 0.0043943100000000, 0.0005404800000000, -0.0002557300000000 ] - [ 0.0021937200000000, -0.0000980200000000, -0.0002184200000000 ] - [ 0.0037574600000000, -0.0008948100000000, -0.0004891100000000 ] - [ 0.0037857400000000, -0.0008940300000000, -0.0002517300000000 ] - [ 0.0021454200000000, -0.0001106000000000, -0.0002046000000000 ] - [ 0.0030450700000000, 0.0027310800000000, 0.0004166800000000 ] - [ 0.0019665100000000, 0.0015642300000000, 0.0002583200000000 ] - [ 0.0029667000000000, 0.0026303400000000, 0.0004250700000000 ] - [ 0.0032602600000000, -0.0020236700000000, 0.0002463900000000 ] - [ 0.0019213100000000, -0.0012087800000000, 0.0002403900000000 ] - [ 0.0031878200000000, -0.0019577500000000, 0.0003637400000000 ] - [ 0.0021140400000000, 0.0003126300000000, 0.0000803100000000 ] - [ -0.0006560700000000, -0.0000920900000000, -0.0002363000000000 ] - [ -0.0007036300000000, -0.0001095800000000, 0.0003593000000000 ] - [ 0.0008807100000000, -0.0001267500000000, 0.0000746600000000 ] - [ -0.0007721800000000, 0.0001631600000000, -0.0001285800000000 ] - [ -0.0008295900000000, 0.0001847400000000, 0.0002506800000000 ] - [ 0.0058893100000000, -0.0014774400000000, -0.0026503800000000 ] - [ 0.0052003600000000, -0.0012704400000000, -0.0001310400000000 ] - [ 0.0058307800000000, -0.0014200600000000, 0.0027867300000000 ] - [ 0.0065367100000000, 0.0014095200000000, -0.0044033200000000 ] - [ 0.0053138100000000, 0.0013100600000000, -0.0001044700000000 ] - [ 0.0064599300000000, 0.0013537900000000, 0.0045232700000000 ] - [ 0.0128962200000000, -0.0092730800000000, -0.0003689000000000 ] - [ 0.0015999800000000, -0.0025881800000000, -0.0006359200000000 ] - [ 0.0012641500000000, -0.0021200100000000, 0.0012515400000000 ] - [ 0.0101730500000000, 0.0144509900000000, -0.0013227200000000 ] - [ 0.0021835700000000, 0.0033872600000000, -0.0005700200000000 ] - [ 0.0018289000000000, 0.0028620600000000, 0.0014274600000000 ] - [ 0.0048390000000000, -0.0035078000000000, 0.0001317500000000 ] - [ 0.0011429300000000, -0.0013413600000000, -0.0011230600000000 ] - [ 0.0011693100000000, -0.0013363400000000, 0.0004032300000000 ] - [ 0.0071952300000000, 0.0014530100000000, 0.0000765200000000 ] - [ 0.0009020900000000, 0.0011219100000000, -0.0011617300000000 ] - [ 0.0009686800000000, 0.0011442200000000, 0.0005459100000000 ] - [ -0.0070379400000000, 0.0049025900000000, -0.0130651300000000 ] - [ -0.0126280000000000, 0.0002351000000000, 0.0042826800000000 ] - [ -0.0071704100000000, 0.0049929200000000, 0.0209537200000000 ] - [ -0.0174496400000000, -0.0056617900000000, -0.0003230600000000 ] - [ -0.0015773400000000, -0.0029754100000000, 0.0007572700000000 ] - [ -0.0015614300000000, -0.0030312200000000, -0.0013514600000000 ] - [ -0.0004571300000000, 0.0054868400000000, -0.0020296300000000 ] - [ -0.0004976300000000, 0.0054718200000000, 0.0014609600000000 ] - [ -0.0000486500000000, 0.0015346900000000, -0.0002787200000000 ] - [ 0.0011907600000000, 0.0000787600000000, 0.0000522000000000 ] - [ 0.0006399500000000, 0.0000313300000000, 0.0002606300000000 ] - [ 0.0012049200000000, 0.0000753100000000, 0.0004689900000000 ] - [ 0.0020578500000000, -0.0007549500000000, 0.0002974600000000 ] - [ 0.0006665800000000, -0.0001236200000000, 0.0000001000000000 ] - [ 0.0006476400000000, -0.0001316400000000, 0.0005359900000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0789198000000000, 0.0844648500000000, 0.0066786500000000 ] - [ -0.0113533500000000, 0.0011298500000000, 0.0195510100000000 ] - [ -0.0103859100000000, 0.0008250800000000, -0.0099791400000000 ] - [ -0.0384305300000000, -0.3000669000000000, -0.0020619900000000 ] - [ 0.0035161000000000, -0.0088235800000000, -0.0046023400000000 ] - [ 0.0035682300000000, -0.0088284300000000, 0.0051713800000000 ] - [ 0.0160238400000000, 0.0855430600000000, -0.0005209000000000 ] - [ 0.0046795800000000, 0.0064609700000000, -0.0061117500000000 ] - [ 0.0046261000000000, 0.0064660400000000, 0.0060899600000000 ] - [ -0.0053805900000000, 0.0076803400000000, 0.0010136700000000 ] - [ -0.0054100600000000, 0.0076800300000000, -0.0008656500000000 ] - [ -0.0039330200000000, 0.0009596300000000, 0.0000970300000000 ] - [ 0.0045412400000000, -0.0088673100000000, -0.0190896400000000 ] - [ 0.0050079000000000, -0.0088653800000000, 0.0195368500000000 ] - [ -0.0020229200000000, -0.0002923500000000, 0.0002156900000000 ] - [ 0.0112881200000000, -0.0025865500000000, 0.0053597500000000 ] - [ 0.0116763100000000, -0.0027404200000000, 0.0027234400000000 ] - [ 0.0130274500000000, -0.0008335800000000, 0.0040693800000000 ] - [ -0.0119248600000000, 0.0021972200000000, -0.0034501800000000 ] - [ -0.0132399500000000, 0.0007076000000000, -0.0038866300000000 ] - [ -0.0121164000000000, 0.0020686500000000, -0.0044275300000000 ] - [ 0.0030198700000000, -0.0009467300000000, -0.0000944800000000 ] - [ 0.0029477100000000, -0.0004276600000000, -0.0000060300000000 ] - [ 0.0029930200000000, -0.0009372800000000, -0.0000052700000000 ] - [ 0.0027500400000000, 0.0008914100000000, -0.0000178500000000 ] - [ 0.0028678400000000, 0.0004561500000000, -0.0000072600000000 ] - [ 0.0027307200000000, 0.0008657800000000, -0.0000896300000000 ] - [ -0.0066730500000000, 0.0112995400000000, -0.0003912400000000 ] - [ -0.0040297900000000, 0.0034914900000000, 0.0001084300000000 ] - [ -0.0038468600000000, 0.0031346600000000, -0.0001215300000000 ] - [ -0.0095312700000000, -0.0153528800000000, -0.0003880400000000 ] - [ -0.0038256000000000, -0.0032201000000000, 0.0002841500000000 ] - [ -0.0036271500000000, -0.0028985700000000, -0.0002876000000000 ] - [ 0.0609620200000000, 0.0267620300000000, -0.0045639500000000 ] - [ 0.0169951400000000, -0.0003183500000000, -0.0117534300000000 ] - [ 0.0162043800000000, -0.0003714200000000, 0.0032037000000000 ] - [ 0.0148914000000000, -0.0040319400000000, 0.0157478700000000 ] - [ 0.0162416600000000, -0.0047014200000000, -0.0259963700000000 ] - [ 0.0118485800000000, 0.0001312900000000, -0.0048778400000000 ] - [ 0.0704169900000000, 0.0426027000000000, 0.0007638200000000 ] - [ 0.0009893000000000, 0.0007104000000000, 0.0011484100000000 ] - [ 0.0007901300000000, 0.0005484100000000, -0.0008581500000000 ] - [ -0.0007848300000000, -0.0136325700000000, 0.0003776700000000 ] - [ -0.0008376900000000, 0.0006303800000000, 0.0008928200000000 ] - [ -0.0008690500000000, 0.0006635800000000, -0.0006364900000000 ] - [ -0.0208175100000000, -0.0449878900000000, 0.0014900700000000 ] - [ -0.0040003900000000, -0.0069343400000000, -0.0004447800000000 ] - [ -0.0041174500000000, -0.0070909600000000, 0.0000127500000000 ] - [ -0.0232874800000000, 0.1273942000000000, -0.0016788300000000 ] - [ -0.0035522100000000, 0.0062001200000000, -0.0010209600000000 ] - [ -0.0038138600000000, 0.0067120800000000, 0.0001561600000000 ] - [ -0.0023921000000000, -0.0057489600000000, -0.0073902900000000 ] - [ -0.0024926900000000, -0.0058555600000000, 0.0075516300000000 ] - [ -0.0021957000000000, -0.0000932700000000, -0.0000289200000000 ] - [ 0.0036117800000000, 0.0165805200000000, -0.0102783800000000 ] - [ 0.0029758000000000, 0.0160818800000000, 0.0087821700000000 ] - [ -0.0027733500000000, 0.0004799400000000, -0.0001339300000000 ] - [ 0.0039757200000000, -0.0048051500000000, 0.0000373500000000 ] - [ 0.0035054400000000, -0.0016651300000000, 0.0006596100000000 ] - [ 0.0034886400000000, -0.0016500200000000, -0.0007834000000000 ] - [ -0.0042137600000000, 0.0071756100000000, -0.0002765500000000 ] - [ 0.0046927300000000, 0.0018603800000000, -0.0022159200000000 ] - [ 0.0047450400000000, 0.0018744300000000, 0.0019035500000000 ] - [ -0.0011052600000000, 0.0053566600000000, 0.0000506400000000 ] - [ -0.0012503300000000, 0.0054322500000000, -0.0006060400000000 ] - [ -0.0002125500000000, 0.0002176300000000, -0.0002379200000000 ] - [ 0.0016666600000000, -0.0001600500000000, -0.0008096300000000 ] - [ 0.0017018000000000, -0.0000024300000000, 0.0004830000000000 ] - [ 0.0007041600000000, 0.0010606400000000, -0.0001781900000000 ] - [ 0.0027673100000000, -0.0029553900000000, 0.0001236100000000 ] - [ 0.0019141000000000, -0.0019038300000000, 0.0001787800000000 ] - [ 0.0027830900000000, -0.0029509600000000, 0.0001979800000000 ] - [ -0.0011191000000000, 0.0005631400000000, -0.0005820900000000 ] - [ 0.0007926800000000, 0.0011777100000000, 0.0001968100000000 ] - [ -0.0008932300000000, 0.0006874000000000, 0.0009724000000000 ] - [ -0.0108097500000000, 0.0003944800000000, -0.0042429100000000 ] - [ -0.0112616200000000, 0.0002648800000000, -0.0041003300000000 ] - [ -0.0112516000000000, 0.0002193400000000, -0.0044039900000000 ] - [ 0.0109860600000000, -0.0005279800000000, 0.0041703300000000 ] - [ 0.0111783800000000, -0.0003441900000000, 0.0037707100000000 ] - [ 0.0111959200000000, -0.0003341600000000, 0.0045022300000000 ] - [ -0.0007368700000000, -0.0010350600000000, -0.0002354100000000 ] - [ -0.0007853900000000, -0.0010583500000000, -0.0001896300000000 ] - [ -0.0009983700000000, -0.0012557700000000, -0.0001992900000000 ] - [ -0.0006475200000000, 0.0012242600000000, -0.0002141200000000 ] - [ -0.0006867500000000, 0.0012433800000000, -0.0001760400000000 ] - [ -0.0010042400000000, 0.0013469000000000, -0.0002065900000000 ] - [ -0.0005673800000000, -0.0013695100000000, 0.0001231300000000 ] - [ -0.0003846200000000, -0.0009903000000000, 0.0001864200000000 ] - [ -0.0005253900000000, -0.0013067800000000, 0.0001899100000000 ] - [ -0.0005535400000000, 0.0010290800000000, 0.0001755700000000 ] - [ -0.0003391800000000, 0.0008174100000000, 0.0001936200000000 ] - [ -0.0005221700000000, 0.0010003300000000, 0.0002259100000000 ] - [ -0.0029669500000000, -0.0000232300000000, 0.0000783400000000 ] - [ -0.0029299300000000, -0.0005248800000000, -0.0000452700000000 ] - [ -0.0029422000000000, -0.0005351200000000, 0.0000648900000000 ] - [ -0.0025993900000000, 0.0000070000000000, 0.0000873100000000 ] - [ -0.0029062600000000, 0.0005114300000000, -0.0000008400000000 ] - [ -0.0029228600000000, 0.0005267800000000, 0.0000192900000000 ] - [ 0.0030003800000000, -0.0011988700000000, -0.0000977800000000 ] - [ 0.0029286400000000, -0.0008974200000000, 0.0000004500000000 ] - [ 0.0029248100000000, -0.0011669300000000, 0.0001770600000000 ] - [ 0.0030252600000000, 0.0013070400000000, -0.0004430000000000 ] - [ 0.0029303700000000, 0.0008968800000000, -0.0000151700000000 ] - [ 0.0029721700000000, 0.0012795900000000, 0.0005130100000000 ] - [ -0.0112219700000000, 0.0121935000000000, 0.0008056500000000 ] - [ -0.0017961000000000, 0.0026441800000000, 0.0005513800000000 ] - [ -0.0015702600000000, 0.0022605900000000, -0.0001469800000000 ] - [ -0.0087552800000000, -0.0126054300000000, 0.0013653700000000 ] - [ -0.0019856300000000, -0.0028688600000000, 0.0006140400000000 ] - [ -0.0017321200000000, -0.0024503100000000, -0.0002930900000000 ] - [ 0.0157600700000000, -0.0104885600000000, 0.0009380000000000 ] - [ 0.0042486700000000, -0.0034138000000000, -0.0014242600000000 ] - [ 0.0040072400000000, -0.0032659700000000, 0.0005903600000000 ] - [ 0.0195439800000000, 0.0079954000000000, 0.0004300000000000 ] - [ 0.0035820300000000, 0.0028508600000000, -0.0009464600000000 ] - [ 0.0033876300000000, 0.0027807500000000, 0.0002655400000000 ] - [ -0.0150704600000000, -0.0019214400000000, 0.0136250100000000 ] - [ -0.0113937700000000, 0.0000109900000000, 0.0042514600000000 ] - [ -0.0149485900000000, -0.0019905200000000, -0.0042568500000000 ] - [ -0.0100807100000000, -0.0076622100000000, -0.0005530200000000 ] - [ -0.0004569000000000, 0.0008619200000000, 0.0008295500000000 ] - [ -0.0004687200000000, 0.0007998800000000, -0.0014505800000000 ] - [ -0.0016379800000000, -0.0028518600000000, 0.0011338500000000 ] - [ -0.0017033500000000, -0.0029101300000000, -0.0016490500000000 ] - [ 0.0000830000000000, -0.0005609400000000, -0.0002809100000000 ] - [ -0.0003521100000000, 0.0000130500000000, 0.0002966900000000 ] - [ -0.0002587600000000, 0.0000034500000000, 0.0002667400000000 ] - [ -0.0003518200000000, 0.0000139400000000, 0.0002466300000000 ] - [ 0.0013275000000000, -0.0006062300000000, 0.0003097200000000 ] - [ 0.0002529800000000, -0.0000067800000000, 0.0002157500000000 ] - [ 0.0002424400000000, -0.0000040300000000, 0.0002841500000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0517665000000000, -0.0840469900000000, 0.0011573800000000 ] - [ -0.0153336700000000, -0.0011461800000000, -0.0116884900000000 ] - [ -0.0162917700000000, -0.0008478500000000, 0.0178168300000000 ] - [ 0.0506765700000000, 0.2923425300000000, 0.0020132600000000 ] - [ 0.0021608800000000, 0.0086190100000000, 0.0045878300000000 ] - [ 0.0021149600000000, 0.0086142700000000, -0.0049714600000000 ] - [ -0.0104085800000000, -0.0857082100000000, 0.0006073300000000 ] - [ 0.0009762900000000, -0.0062401500000000, 0.0062420400000000 ] - [ 0.0010313000000000, -0.0062351700000000, -0.0060506900000000 ] - [ -0.0002901000000000, -0.0079075400000000, -0.0009527600000000 ] - [ -0.0002604400000000, -0.0079076400000000, 0.0009749100000000 ] - [ -0.0017593800000000, -0.0011917700000000, -0.0000138500000000 ] - [ -0.0102873200000000, 0.0090045000000000, 0.0190204500000000 ] - [ -0.0107456100000000, 0.0090064700000000, -0.0192951300000000 ] - [ -0.0036886000000000, 0.0005138500000000, -0.0001311400000000 ] - [ 0.0154361300000000, 0.0025898000000000, 0.0025198300000000 ] - [ 0.0150492500000000, 0.0027408500000000, 0.0052009000000000 ] - [ 0.0136490200000000, 0.0008389700000000, 0.0038360100000000 ] - [ -0.0146984500000000, -0.0021957500000000, -0.0044422000000000 ] - [ -0.0134108900000000, -0.0007112000000000, -0.0040147300000000 ] - [ -0.0145107300000000, -0.0020699200000000, -0.0034814500000000 ] - [ 0.0027068100000000, 0.0007156400000000, 0.0000015500000000 ] - [ 0.0027649000000000, 0.0001968100000000, -0.0000775000000000 ] - [ 0.0027322500000000, 0.0007065600000000, -0.0000699600000000 ] - [ 0.0029751000000000, -0.0006575200000000, -0.0000666600000000 ] - [ 0.0028467100000000, -0.0002247000000000, -0.0000795600000000 ] - [ 0.0029927700000000, -0.0006320800000000, 0.0000073300000000 ] - [ 0.0010171600000000, -0.0115350500000000, 0.0003093400000000 ] - [ -0.0016483500000000, -0.0037282400000000, -0.0001965900000000 ] - [ -0.0018342000000000, -0.0033665400000000, 0.0000402900000000 ] - [ 0.0038485800000000, 0.0155122200000000, 0.0003027200000000 ] - [ -0.0018534200000000, 0.0034557200000000, -0.0003786300000000 ] - [ -0.0020547100000000, 0.0031298900000000, 0.0002129300000000 ] - [ -0.0341709900000000, -0.0265387000000000, -0.0033157200000000 ] - [ 0.0096608100000000, 0.0003357400000000, 0.0038511500000000 ] - [ 0.0104580600000000, 0.0003924900000000, -0.0110805500000000 ] - [ 0.0078164100000000, 0.0039843200000000, -0.0241210300000000 ] - [ 0.0064586200000000, 0.0046571100000000, 0.0177588500000000 ] - [ 0.0108069400000000, -0.0001317500000000, -0.0034798500000000 ] - [ -0.0747671100000000, -0.0450330700000000, -0.0004044300000000 ] - [ -0.0032688800000000, -0.0035016800000000, -0.0007673800000000 ] - [ -0.0030714300000000, -0.0033392300000000, 0.0012547900000000 ] - [ -0.0013940500000000, 0.0163546700000000, 0.0000149100000000 ] - [ -0.0014141300000000, 0.0021427400000000, -0.0005082800000000 ] - [ -0.0013826000000000, 0.0021076700000000, 0.0010295700000000 ] - [ 0.0204112300000000, 0.0435815000000000, -0.0018744200000000 ] - [ 0.0035457400000000, 0.0055747300000000, 0.0000604700000000 ] - [ 0.0036542500000000, 0.0057204200000000, -0.0003841900000000 ] - [ 0.0183744300000000, -0.1164649800000000, 0.0014095300000000 ] - [ 0.0030507300000000, -0.0047748300000000, 0.0006501300000000 ] - [ 0.0032978900000000, -0.0052653500000000, -0.0005331700000000 ] - [ -0.0034505600000000, 0.0071997600000000, 0.0073407500000000 ] - [ -0.0033497400000000, 0.0073080700000000, -0.0076371900000000 ] - [ -0.0036524000000000, 0.0015030900000000, -0.0000337100000000 ] - [ -0.0097499900000000, -0.0179385200000000, 0.0107221500000000 ] - [ -0.0091170200000000, -0.0174277300000000, -0.0093732300000000 ] - [ -0.0030390100000000, -0.0018797600000000, 0.0000690500000000 ] - [ 0.0018833900000000, 0.0033843400000000, -0.0001014300000000 ] - [ 0.0023544600000000, 0.0002490800000000, -0.0007400000000000 ] - [ 0.0023715300000000, 0.0002339300000000, 0.0007381800000000 ] - [ 0.0099648900000000, -0.0056250400000000, 0.0002124600000000 ] - [ 0.0011907900000000, -0.0004406900000000, 0.0021212100000000 ] - [ 0.0011402100000000, -0.0004547000000000, -0.0019415300000000 ] - [ 0.0015794100000000, -0.0067523400000000, -0.0004126500000000 ] - [ 0.0017202200000000, -0.0068235600000000, 0.0002069500000000 ] - [ 0.0006972500000000, -0.0016114900000000, -0.0001420000000000 ] - [ -0.0012049200000000, 0.0015510100000000, 0.0004384200000000 ] - [ -0.0012396500000000, 0.0013933100000000, -0.0008731400000000 ] - [ -0.0002262100000000, 0.0003254400000000, -0.0002009800000000 ] - [ -0.0005151800000000, 0.0001791300000000, 0.0002643100000000 ] - [ 0.0003522500000000, -0.0008762700000000, 0.0002110700000000 ] - [ -0.0005315600000000, 0.0001755800000000, 0.0001918400000000 ] - [ 0.0033869100000000, 0.0022206300000000, 0.0009589000000000 ] - [ 0.0014838500000000, 0.0016081700000000, 0.0001920900000000 ] - [ 0.0031661300000000, 0.0020981700000000, -0.0005749400000000 ] - [ -0.0118578600000000, -0.0003933500000000, -0.0041355900000000 ] - [ -0.0113990700000000, -0.0002646300000000, -0.0042929700000000 ] - [ -0.0114083900000000, -0.0002197200000000, -0.0039636800000000 ] - [ 0.0116594100000000, 0.0005263000000000, 0.0042071000000000 ] - [ 0.0114710100000000, 0.0003439700000000, 0.0046019400000000 ] - [ 0.0114539000000000, 0.0003344400000000, 0.0038823000000000 ] - [ -0.0015575700000000, -0.0017576100000000, -0.0001519300000000 ] - [ -0.0015091200000000, -0.0017345600000000, -0.0001992500000000 ] - [ -0.0012853200000000, -0.0015320900000000, -0.0001875700000000 ] - [ -0.0016442100000000, 0.0015673900000000, -0.0001738600000000 ] - [ -0.0016050800000000, 0.0015482800000000, -0.0002135600000000 ] - [ -0.0012777800000000, 0.0014399500000000, -0.0001805800000000 ] - [ 0.0000750400000000, -0.0000305000000000, 0.0002557000000000 ] - [ -0.0001027600000000, -0.0004056400000000, 0.0001938700000000 ] - [ 0.0000347600000000, -0.0000914600000000, 0.0001890700000000 ] - [ 0.0000586100000000, 0.0003748000000000, 0.0002037000000000 ] - [ -0.0001487900000000, 0.0005805300000000, 0.0001872400000000 ] - [ 0.0000277400000000, 0.0004026600000000, 0.0001527100000000 ] - [ -0.0029097200000000, -0.0013931400000000, -0.0000153000000000 ] - [ -0.0029311400000000, -0.0008897300000000, 0.0001112000000000 ] - [ -0.0029181900000000, -0.0008800400000000, -0.0000010200000000 ] - [ -0.0032695100000000, 0.0014099100000000, -0.0000248300000000 ] - [ -0.0029558100000000, 0.0009044000000000, 0.0000643000000000 ] - [ -0.0029388600000000, 0.0008882900000000, 0.0000444800000000 ] - [ 0.0028414600000000, -0.0002100900000000, 0.0001688900000000 ] - [ 0.0029150500000000, -0.0005128800000000, 0.0000661200000000 ] - [ 0.0029181600000000, -0.0002429300000000, -0.0001209700000000 ] - [ 0.0028171500000000, 0.0001031400000000, 0.0005212700000000 ] - [ 0.0029133900000000, 0.0005135300000000, 0.0000803200000000 ] - [ 0.0028709800000000, 0.0001321400000000, -0.0004664900000000 ] - [ 0.0116208800000000, -0.0135170900000000, -0.0004253100000000 ] - [ 0.0022744700000000, -0.0040359700000000, -0.0001705000000000 ] - [ 0.0020481600000000, -0.0036499400000000, 0.0005245800000000 ] - [ 0.0092167300000000, 0.0139784500000000, -0.0009866000000000 ] - [ 0.0024635800000000, 0.0042564100000000, -0.0002335200000000 ] - [ 0.0022085900000000, 0.0038333400000000, 0.0006716800000000 ] - [ -0.0135119200000000, 0.0077317900000000, -0.0013243000000000 ] - [ -0.0019908800000000, 0.0006402400000000, 0.0010396100000000 ] - [ -0.0017389700000000, 0.0004865200000000, -0.0009733000000000 ] - [ -0.0171982300000000, -0.0052171000000000, -0.0008198700000000 ] - [ -0.0013174600000000, -0.0000698300000000, 0.0005579700000000 ] - [ -0.0011169300000000, 0.0000041400000000, -0.0006498500000000 ] - [ -0.0075687300000000, 0.0019104900000000, -0.0052196900000000 ] - [ -0.0112578700000000, -0.0000172000000000, 0.0041231100000000 ] - [ -0.0076966200000000, 0.0019758800000000, 0.0125771200000000 ] - [ 0.0106583900000000, 0.0049427800000000, 0.0000312000000000 ] - [ 0.0001243500000000, -0.0008844100000000, -0.0013748700000000 ] - [ 0.0001354000000000, -0.0008235400000000, 0.0009176400000000 ] - [ 0.0019597100000000, 0.0028494300000000, -0.0016549100000000 ] - [ 0.0020258400000000, 0.0029056400000000, 0.0010938100000000 ] - [ 0.0002611100000000, 0.0005645700000000, -0.0002565600000000 ] - [ 0.0000060100000000, -0.0000158900000000, 0.0002420100000000 ] - [ -0.0000857900000000, -0.0000045900000000, 0.0002723400000000 ] - [ 0.0000055100000000, -0.0000166300000000, 0.0002904800000000 ] - [ -0.0009940000000000, 0.0006132000000000, 0.0002280500000000 ] - [ 0.0000849000000000, 0.0000072600000000, 0.0003251700000000 ] - [ 0.0000963400000000, 0.0000046700000000, 0.0002547900000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0140858700000000, 0.0013140800000000, -0.0063050500000000 ] - [ -0.0254318500000000, 0.0114399200000000, 0.0086123000000000 ] - [ -0.0015513000000000, -0.0114181900000000, 0.0087366300000000 ] - [ -0.0010231100000000, -0.0023399500000000, -0.2667225200000000 ] - [ -0.0095748600000000, 0.0049560400000000, 0.0828020400000000 ] - [ 0.0151346400000000, -0.0047144700000000, 0.0822145700000000 ] - [ 0.0026344800000000, 0.0006698100000000, -0.0073076000000000 ] - [ 0.0036657300000000, -0.0059795500000000, 0.0033959900000000 ] - [ 0.0020556000000000, 0.0062685900000000, 0.0034175300000000 ] - [ -0.0029684400000000, -0.0010238800000000, -0.0017024000000000 ] - [ -0.0027211900000000, 0.0008786000000000, -0.0017151400000000 ] - [ -0.0028517200000000, -0.0000529600000000, 0.0035443400000000 ] - [ -0.0455666600000000, -0.0192003300000000, -0.0075310100000000 ] - [ 0.0396488400000000, 0.0192736300000000, -0.0073411900000000 ] - [ -0.0028231700000000, -0.0000501500000000, 0.0162650900000000 ] - [ 0.0070025200000000, 0.0051449500000000, 0.0020105400000000 ] - [ 0.0196744800000000, -0.0051716900000000, 0.0019533500000000 ] - [ 0.0134171500000000, -0.0000168300000000, 0.0079153600000000 ] - [ -0.0090823300000000, 0.0031435300000000, -0.0051273900000000 ] - [ -0.0131674200000000, 0.0000539700000000, -0.0011618200000000 ] - [ -0.0176038800000000, -0.0031497600000000, -0.0056274600000000 ] - [ 0.0043453200000000, -0.0000682200000000, -0.0009284200000000 ] - [ 0.0028829900000000, -0.0001513200000000, 0.0016013100000000 ] - [ 0.0014277000000000, -0.0001483600000000, -0.0007934000000000 ] - [ 0.0038379300000000, 0.0001433400000000, -0.0007452400000000 ] - [ 0.0028868900000000, 0.0001524900000000, 0.0012732700000000 ] - [ 0.0019187300000000, 0.0000693800000000, -0.0006606000000000 ] - [ -0.0028009400000000, 0.0002424400000000, -0.0015610000000000 ] - [ -0.0046190100000000, -0.0002638500000000, 0.0005900800000000 ] - [ -0.0011375300000000, -0.0000309200000000, 0.0007852400000000 ] - [ -0.0027456500000000, -0.0002431100000000, -0.0022820500000000 ] - [ -0.0059830700000000, 0.0004449300000000, 0.0009381800000000 ] - [ 0.0002004100000000, -0.0001367900000000, 0.0011538000000000 ] - [ 0.0151908800000000, 0.0013952300000000, -0.0132480000000000 ] - [ 0.0038446900000000, -0.0065873200000000, 0.0000620500000000 ] - [ 0.0222688300000000, 0.0064070600000000, -0.0003101800000000 ] - [ 0.0106944400000000, 0.0009795800000000, 0.0006342300000000 ] - [ 0.0117121000000000, -0.0010226100000000, 0.0007236200000000 ] - [ 0.0116327100000000, -0.0002176200000000, -0.0145277700000000 ] - [ 0.0025508000000000, -0.0000230000000000, 0.0271282400000000 ] - [ 0.0104316800000000, 0.0045768200000000, -0.0031728900000000 ] - [ -0.0126110500000000, -0.0073004400000000, -0.0033727400000000 ] - [ -0.0007287600000000, 0.0009603200000000, 0.0011413400000000 ] - [ -0.0007477700000000, 0.0026686500000000, -0.0003297600000000 ] - [ -0.0015598600000000, 0.0001397100000000, -0.0002762800000000 ] - [ -0.0005159300000000, -0.0012849400000000, 0.0007584700000000 ] - [ -0.0005870800000000, -0.0015756100000000, -0.0006428300000000 ] - [ 0.0001219200000000, 0.0001827700000000, -0.0009356500000000 ] - [ -0.0003789700000000, 0.0015729400000000, 0.0164393600000000 ] - [ 0.0116777400000000, -0.0173361900000000, -0.0067388800000000 ] - [ -0.0120615000000000, 0.0184893800000000, -0.0059699800000000 ] - [ -0.0031878800000000, -0.0003653000000000, 0.0025403600000000 ] - [ -0.0026672100000000, 0.0017356300000000, 0.0025572400000000 ] - [ -0.0029018200000000, 0.0007010200000000, -0.0054050100000000 ] - [ -0.0182021200000000, 0.0048042900000000, 0.0546967500000000 ] - [ 0.0134451200000000, -0.0063293800000000, 0.0563199400000000 ] - [ -0.0027797800000000, -0.0007114600000000, -0.0348128200000000 ] - [ 0.0029525700000000, -0.0007450800000000, 0.0032922800000000 ] - [ 0.0021173900000000, -0.0005685000000000, -0.0017162500000000 ] - [ 0.0037268500000000, -0.0008645000000000, -0.0016797300000000 ] - [ 0.0019106000000000, 0.0001150900000000, 0.0271938100000000 ] - [ -0.0052604500000000, -0.0026915600000000, -0.0122090400000000 ] - [ 0.0110246700000000, 0.0041069000000000, -0.0120025100000000 ] - [ 0.0091461900000000, -0.0056899100000000, 0.0007946300000000 ] - [ -0.0086488200000000, 0.0043174200000000, 0.0002856800000000 ] - [ 0.0002031200000000, -0.0005827400000000, -0.0017038600000000 ] - [ 0.0000577900000000, -0.0005230300000000, 0.0000215100000000 ] - [ 0.0004269100000000, 0.0019323100000000, 0.0002253500000000 ] - [ 0.0002199300000000, 0.0006409200000000, -0.0008144100000000 ] - [ 0.0005518200000000, -0.0017529100000000, 0.0003435300000000 ] - [ 0.0011555500000000, -0.0014057800000000, -0.0001204000000000 ] - [ 0.0016888500000000, -0.0010309300000000, 0.0003597500000000 ] - [ -0.0101083800000000, -0.0042424400000000, 0.0010806900000000 ] - [ 0.0011263200000000, 0.0013888700000000, -0.0006363300000000 ] - [ 0.0124104100000000, 0.0070430000000000, 0.0006716600000000 ] - [ -0.0112336400000000, -0.0000121500000000, 0.0003504200000000 ] - [ -0.0116999300000000, 0.0002664200000000, -0.0063978400000000 ] - [ -0.0110710100000000, -0.0002427100000000, -0.0065142800000000 ] - [ 0.0113689600000000, 0.0000141400000000, 0.0074524000000000 ] - [ 0.0108981900000000, -0.0002299700000000, 0.0024962700000000 ] - [ 0.0116869700000000, 0.0002063900000000, 0.0026052400000000 ] - [ 0.0005601000000000, -0.0009915600000000, -0.0001500100000000 ] - [ -0.0028835800000000, -0.0018068700000000, 0.0000668000000000 ] - [ -0.0011389000000000, -0.0013915200000000, -0.0004973400000000 ] - [ 0.0000401600000000, 0.0008638300000000, -0.0001935000000000 ] - [ -0.0023513700000000, 0.0019382500000000, 0.0001096900000000 ] - [ -0.0011417700000000, 0.0013909100000000, -0.0004943100000000 ] - [ -0.0012045600000000, -0.0018543300000000, 0.0000938700000000 ] - [ -0.0002904000000000, -0.0007688200000000, -0.0000784500000000 ] - [ 0.0007312800000000, 0.0004906900000000, 0.0005797900000000 ] - [ -0.0009547600000000, 0.0010129600000000, 0.0002626500000000 ] - [ -0.0002838700000000, 0.0007553900000000, -0.0000917500000000 ] - [ 0.0004658000000000, 0.0003651400000000, 0.0003960700000000 ] - [ -0.0029633500000000, -0.0006964600000000, 0.0016044400000000 ] - [ -0.0024420800000000, -0.0006091000000000, -0.0007082800000000 ] - [ -0.0034200700000000, -0.0008119000000000, -0.0008047100000000 ] - [ -0.0029377700000000, 0.0006890500000000, 0.0013271600000000 ] - [ -0.0025478600000000, 0.0006217100000000, -0.0005629800000000 ] - [ -0.0033091200000000, 0.0007983600000000, -0.0006660400000000 ] - [ 0.0027615700000000, -0.0006824200000000, 0.0009998200000000 ] - [ 0.0029317400000000, -0.0007189200000000, -0.0016722400000000 ] - [ 0.0030429900000000, -0.0007274100000000, 0.0007802800000000 ] - [ 0.0027954800000000, 0.0006570100000000, 0.0013193000000000 ] - [ 0.0029355800000000, 0.0007174400000000, -0.0023016900000000 ] - [ 0.0030064200000000, 0.0007508200000000, 0.0010875200000000 ] - [ -0.0001273500000000, -0.0002832500000000, 0.0009418200000000 ] - [ 0.0019332700000000, -0.0015840100000000, -0.0002270700000000 ] - [ -0.0013257600000000, 0.0000416900000000, -0.0000081300000000 ] - [ -0.0000964500000000, 0.0001380000000000, 0.0009143900000000 ] - [ 0.0017736200000000, 0.0025469400000000, -0.0003575600000000 ] - [ -0.0011713500000000, -0.0009811600000000, 0.0002318500000000 ] - [ 0.0014270200000000, -0.0014966500000000, 0.0004839300000000 ] - [ 0.0031111800000000, -0.0024396200000000, -0.0002451500000000 ] - [ -0.0008142200000000, -0.0003287700000000, -0.0008051500000000 ] - [ 0.0013767300000000, 0.0015023200000000, 0.0007168900000000 ] - [ 0.0037581300000000, 0.0018896600000000, -0.0003841800000000 ] - [ -0.0014933500000000, 0.0009038200000000, -0.0007523400000000 ] - [ -0.0101115100000000, 0.0007580500000000, 0.0074732800000000 ] - [ -0.0112541200000000, -0.0000196800000000, -0.0025337200000000 ] - [ -0.0128446900000000, -0.0010442300000000, 0.0077107300000000 ] - [ 0.0000390000000000, -0.0007218400000000, 0.0091259000000000 ] - [ -0.0000094100000000, 0.0076445300000000, -0.0049039100000000 ] - [ -0.0003294900000000, -0.0077734000000000, -0.0050055000000000 ] - [ 0.0013443800000000, 0.0025205800000000, 0.0004485900000000 ] - [ -0.0010112500000000, -0.0025989500000000, 0.0003523800000000 ] - [ 0.0001545000000000, -0.0000014600000000, -0.0015367100000000 ] - [ -0.0003852900000000, 0.0000510800000000, 0.0003801700000000 ] - [ -0.0001797800000000, -0.0000027900000000, 0.0000703200000000 ] - [ 0.0000297400000000, -0.0000536000000000, 0.0003565800000000 ] - [ 0.0001669800000000, -0.0000061300000000, 0.0004858300000000 ] - [ 0.0005352800000000, -0.0001161100000000, 0.0001820400000000 ] - [ -0.0001849500000000, 0.0001185400000000, 0.0001439000000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0122573400000000, -0.0017704600000000, 0.0141879900000000 ] - [ -0.0013276400000000, -0.0113797500000000, -0.0008521000000000 ] - [ -0.0252096000000000, 0.0114743200000000, -0.0007455700000000 ] - [ 0.0014992600000000, 0.0017315600000000, 0.2670293100000000 ] - [ 0.0152460600000000, -0.0051853000000000, -0.0821092100000000 ] - [ -0.0094547300000000, 0.0044750700000000, -0.0826969000000000 ] - [ 0.0028660200000000, -0.0004587000000000, 0.0073908200000000 ] - [ 0.0019651100000000, 0.0061603100000000, -0.0033317800000000 ] - [ 0.0035742100000000, -0.0060858900000000, -0.0033108300000000 ] - [ -0.0027676900000000, 0.0008168600000000, 0.0018002600000000 ] - [ -0.0030143000000000, -0.0010867600000000, 0.0017875100000000 ] - [ -0.0028607200000000, -0.0001637200000000, -0.0034605600000000 ] - [ 0.0402406300000000, 0.0196322400000000, 0.0074207200000000 ] - [ -0.0449657500000000, -0.0188385300000000, 0.0076111400000000 ] - [ -0.0028162500000000, 0.0002972100000000, -0.0161797700000000 ] - [ 0.0197579100000000, -0.0052187800000000, 0.0058872900000000 ] - [ 0.0070908900000000, 0.0050952400000000, 0.0059575400000000 ] - [ 0.0132981900000000, -0.0000150800000000, -0.0000102300000000 ] - [ -0.0174945900000000, -0.0030914900000000, -0.0027659100000000 ] - [ -0.0134437100000000, -0.0000301500000000, -0.0067367500000000 ] - [ -0.0089762700000000, 0.0031992600000000, -0.0022761400000000 ] - [ 0.0014235000000000, -0.0001636400000000, 0.0008317500000000 ] - [ 0.0028623000000000, -0.0000802100000000, -0.0016844600000000 ] - [ 0.0043394500000000, -0.0000829600000000, 0.0007215500000000 ] - [ 0.0019187900000000, 0.0000935200000000, 0.0006581700000000 ] - [ 0.0028591900000000, 0.0000791000000000, -0.0013603800000000 ] - [ 0.0038362500000000, 0.0001652400000000, 0.0005820300000000 ] - [ -0.0028187600000000, -0.0004576200000000, 0.0014791800000000 ] - [ -0.0010320100000000, 0.0000423200000000, -0.0006843000000000 ] - [ -0.0045150300000000, -0.0001922900000000, -0.0008603700000000 ] - [ -0.0028128000000000, 0.0004467000000000, 0.0021978400000000 ] - [ 0.0003149900000000, -0.0002190200000000, -0.0010465300000000 ] - [ -0.0058693500000000, 0.0003637000000000, -0.0012150200000000 ] - [ 0.0119831700000000, -0.0009938000000000, 0.0053444700000000 ] - [ 0.0227877700000000, 0.0065777800000000, -0.0080952600000000 ] - [ 0.0043543900000000, -0.0064207400000000, -0.0074456400000000 ] - [ 0.0119487900000000, -0.0009604600000000, -0.0091632400000000 ] - [ 0.0109206400000000, 0.0010538500000000, -0.0089265300000000 ] - [ 0.0110344400000000, 0.0002034300000000, 0.0061678300000000 ] - [ -0.0040958300000000, -0.0025321200000000, -0.0266805500000000 ] - [ -0.0126864800000000, -0.0073565300000000, 0.0035123100000000 ] - [ 0.0103535200000000, 0.0045204000000000, 0.0038043900000000 ] - [ -0.0014673300000000, 0.0017303300000000, -0.0007513600000000 ] - [ -0.0014841400000000, 0.0001055200000000, 0.0007241900000000 ] - [ -0.0006743600000000, 0.0026334800000000, 0.0006592200000000 ] - [ 0.0001067400000000, 0.0000071700000000, -0.0011449700000000 ] - [ 0.0001324100000000, 0.0002072500000000, 0.0002723200000000 ] - [ -0.0005774600000000, -0.0015496900000000, 0.0005498400000000 ] - [ 0.0003010700000000, -0.0008466100000000, -0.0168613000000000 ] - [ -0.0120997100000000, 0.0186766200000000, 0.0063086300000000 ] - [ 0.0116355800000000, -0.0171389400000000, 0.0056519700000000 ] - [ -0.0026348800000000, 0.0017793400000000, -0.0026499200000000 ] - [ -0.0031551200000000, -0.0003197400000000, -0.0025797200000000 ] - [ -0.0029295600000000, 0.0007149500000000, 0.0053402300000000 ] - [ 0.0142510100000000, -0.0059966600000000, -0.0611692000000000 ] - [ -0.0174823100000000, 0.0051132100000000, -0.0502363800000000 ] - [ -0.0030987700000000, -0.0007000400000000, 0.0347428400000000 ] - [ 0.0029404300000000, -0.0006839600000000, -0.0033550700000000 ] - [ 0.0037521100000000, -0.0008529800000000, 0.0016548900000000 ] - [ 0.0021430000000000, -0.0005569500000000, 0.0016152900000000 ] - [ 0.0033916900000000, 0.0009827300000000, -0.0272471400000000 ] - [ 0.0110949800000000, 0.0040892300000000, 0.0120627400000000 ] - [ -0.0051859600000000, -0.0027085800000000, 0.0120165700000000 ] - [ -0.0087729500000000, 0.0043563700000000, -0.0011700100000000 ] - [ 0.0090172000000000, -0.0056469100000000, -0.0006782600000000 ] - [ 0.0002457300000000, -0.0007726700000000, 0.0013225400000000 ] - [ 0.0004316200000000, 0.0019331900000000, -0.0004024700000000 ] - [ 0.0000628900000000, -0.0005212600000000, -0.0006038400000000 ] - [ 0.0002658900000000, 0.0007596600000000, 0.0004356400000000 ] - [ 0.0017248800000000, -0.0010407200000000, 0.0000450100000000 ] - [ 0.0011166500000000, -0.0013815600000000, 0.0005103100000000 ] - [ 0.0005874500000000, -0.0017619000000000, 0.0000283700000000 ] - [ 0.0122868400000000, 0.0069714100000000, -0.0007069100000000 ] - [ 0.0011053700000000, 0.0013723900000000, 0.0010261900000000 ] - [ -0.0102248000000000, -0.0043117700000000, -0.0002633200000000 ] - [ -0.0114351000000000, 0.0000225400000000, -0.0087301400000000 ] - [ -0.0109675100000000, -0.0002596600000000, -0.0019912400000000 ] - [ -0.0115957300000000, 0.0002486900000000, -0.0018580200000000 ] - [ 0.0112699100000000, -0.0000242800000000, 0.0009238600000000 ] - [ 0.0117433500000000, 0.0002211200000000, 0.0058725600000000 ] - [ 0.0109551300000000, -0.0002145100000000, 0.0057792700000000 ] - [ -0.0028780100000000, -0.0018052200000000, -0.0002377500000000 ] - [ 0.0005654700000000, -0.0009903200000000, -0.0004543200000000 ] - [ -0.0011631200000000, -0.0014016900000000, 0.0001111200000000 ] - [ -0.0023480400000000, 0.0019357700000000, -0.0001941400000000 ] - [ 0.0000425500000000, 0.0008617300000000, -0.0004979200000000 ] - [ -0.0011588000000000, 0.0014044700000000, 0.0001081100000000 ] - [ 0.0006949800000000, 0.0004318900000000, 0.0002835700000000 ] - [ -0.0002123700000000, -0.0006445200000000, 0.0004578400000000 ] - [ -0.0012392300000000, -0.0019116300000000, -0.0002024300000000 ] - [ 0.0004445300000000, 0.0004003500000000, 0.0001169000000000 ] - [ -0.0002168900000000, 0.0006525800000000, 0.0004724000000000 ] - [ -0.0009755100000000, 0.0010473300000000, -0.0000179700000000 ] - [ -0.0029281000000000, -0.0007245500000000, -0.0015414800000000 ] - [ -0.0034290500000000, -0.0008076800000000, 0.0007764200000000 ] - [ -0.0024504900000000, -0.0006055800000000, 0.0008660500000000 ] - [ -0.0029425700000000, 0.0007291800000000, -0.0012648900000000 ] - [ -0.0033249900000000, 0.0007961100000000, 0.0006280500000000 ] - [ -0.0025632900000000, 0.0006189300000000, 0.0007279700000000 ] - [ 0.0030647900000000, -0.0007229600000000, -0.0009240800000000 ] - [ 0.0028985200000000, -0.0006886200000000, 0.0017391700000000 ] - [ 0.0027845200000000, -0.0006790400000000, -0.0007291100000000 ] - [ 0.0030277600000000, 0.0007486400000000, -0.0012224400000000 ] - [ 0.0028960000000000, 0.0006896500000000, 0.0023671000000000 ] - [ 0.0028181000000000, 0.0006565300000000, -0.0010590500000000 ] - [ 0.0005291200000000, -0.0010507200000000, -0.0005593600000000 ] - [ -0.0014648400000000, 0.0002135100000000, 0.0006136800000000 ] - [ 0.0017975600000000, -0.0014159900000000, 0.0003792000000000 ] - [ 0.0005189800000000, 0.0011778500000000, -0.0005279000000000 ] - [ -0.0013124600000000, -0.0011827500000000, 0.0007456900000000 ] - [ 0.0016361600000000, 0.0023492600000000, 0.0001337200000000 ] - [ 0.0008230700000000, -0.0012732700000000, -0.0008764800000000 ] - [ -0.0008530600000000, -0.0003364800000000, -0.0001267500000000 ] - [ 0.0030736300000000, -0.0024469000000000, 0.0004120200000000 ] - [ 0.0008076000000000, 0.0012702200000000, -0.0011111800000000 ] - [ -0.0014836700000000, 0.0008904700000000, 0.0000033900000000 ] - [ 0.0037662900000000, 0.0018763400000000, 0.0003608400000000 ] - [ -0.0126052700000000, -0.0008249200000000, 0.0010973600000000 ] - [ -0.0113825900000000, 0.0000170300000000, 0.0109083700000000 ] - [ -0.0098734700000000, 0.0009765200000000, 0.0004815700000000 ] - [ -0.0004095900000000, 0.0012939000000000, -0.0096869900000000 ] - [ -0.0003142800000000, -0.0076065400000000, 0.0043322600000000 ] - [ 0.0000053800000000, 0.0078092500000000, 0.0044979900000000 ] - [ -0.0010007400000000, -0.0025584600000000, -0.0009859600000000 ] - [ 0.0013554700000000, 0.0025591900000000, -0.0008913000000000 ] - [ 0.0001878900000000, -0.0000195800000000, 0.0009991800000000 ] - [ 0.0000321900000000, -0.0000525100000000, 0.0001591300000000 ] - [ -0.0001699500000000, 0.0000026700000000, 0.0004689700000000 ] - [ -0.0003836400000000, 0.0000513100000000, 0.0001802000000000 ] - [ 0.0001577200000000, 0.0000141500000000, 0.0000518200000000 ] - [ -0.0001989600000000, 0.0001148400000000, 0.0003599500000000 ] - [ 0.0005218400000000, -0.0001196500000000, 0.0003941500000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0050563300000000, 0.0000000000000000, 0.0244941100000000 ] - [ -0.0092674500000000, 0.0000000000000000, 0.0055483100000000 ] - [ -0.0004805300000000, 0.0000000000000000, -0.0236137800000000 ] - [ 0.0024809000000000, 0.0034248200000000, -0.0005856500000000 ] - [ 0.0035990200000000, 0.0003892800000000, 0.0003386200000000 ] - [ 0.0017848200000000, 0.0047687800000000, 0.0004391000000000 ] - [ 0.0024809000000000, -0.0034248200000000, -0.0005856500000000 ] - [ 0.0035990200000000, -0.0003892800000000, 0.0003386200000000 ] - [ 0.0017848200000000, -0.0047687800000000, 0.0004391000000000 ] - [ -0.0050635800000000, -0.0006440900000000, -0.0000574800000000 ] - [ -0.0040927700000000, -0.0001946600000000, -0.0002225000000000 ] - [ -0.0042367900000000, -0.0001841600000000, 0.0004092600000000 ] - [ -0.0050635800000000, 0.0006440900000000, -0.0000574800000000 ] - [ -0.0040927700000000, 0.0001946600000000, -0.0002225000000000 ] - [ -0.0042367900000000, 0.0001841600000000, 0.0004092600000000 ] - [ 0.0112393300000000, 0.0000000000000000, 0.0038393100000000 ] - [ 0.0117626500000000, 0.0000000000000000, 0.0038648100000000 ] - [ 0.0117099100000000, 0.0000000000000000, 0.0039108400000000 ] - [ -0.0149366200000000, 0.0000000000000000, -0.0039796600000000 ] - [ -0.0149510200000000, 0.0000000000000000, -0.0040473400000000 ] - [ -0.0154881700000000, 0.0000000000000000, -0.0040522400000000 ] - [ 0.0015274400000000, -0.0002629400000000, 0.0003776700000000 ] - [ 0.0015539400000000, -0.0002454100000000, -0.0004063700000000 ] - [ 0.0008403000000000, -0.0004522100000000, -0.0000907900000000 ] - [ 0.0015274400000000, 0.0002629400000000, 0.0003776700000000 ] - [ 0.0015539400000000, 0.0002454100000000, -0.0004063700000000 ] - [ 0.0008403000000000, 0.0004522100000000, -0.0000907900000000 ] - [ -0.0071208400000000, 0.0036292500000000, 0.0012026000000000 ] - [ -0.0015670400000000, -0.0000390400000000, 0.0000202100000000 ] - [ -0.0069952700000000, 0.0035079000000000, -0.0015233300000000 ] - [ -0.0071208400000000, -0.0036292500000000, 0.0012026000000000 ] - [ -0.0015670400000000, 0.0000390400000000, 0.0000202100000000 ] - [ -0.0069952700000000, -0.0035079000000000, -0.0015233300000000 ] - [ 0.0181464900000000, 0.0000000000000000, -0.0038171300000000 ] - [ 0.0157663700000000, 0.0000000000000000, -0.0040072900000000 ] - [ 0.0183933800000000, 0.0000000000000000, -0.0045231800000000 ] - [ -0.0280888400000000, 0.0000000000000000, 0.0063289200000000 ] - [ 0.0124615200000000, 0.0000000000000000, 0.0023214600000000 ] - [ 0.0124450900000000, 0.0000000000000000, -0.0125953600000000 ] - [ -0.0033285000000000, -0.0024498800000000, 0.0000856900000000 ] - [ -0.0023550300000000, -0.0019717100000000, 0.0001575400000000 ] - [ -0.0035130600000000, -0.0026016400000000, 0.0002567700000000 ] - [ -0.0033285000000000, 0.0024498800000000, 0.0000856900000000 ] - [ -0.0023550300000000, 0.0019717100000000, 0.0001575400000000 ] - [ -0.0035130600000000, 0.0026016400000000, 0.0002567700000000 ] - [ 0.0019183600000000, 0.0049566700000000, 0.0052822900000000 ] - [ -0.0002033000000000, -0.0004782400000000, -0.0003005700000000 ] - [ 0.0026878700000000, 0.0067820100000000, -0.0070050500000000 ] - [ 0.0019183600000000, -0.0049566700000000, 0.0052822900000000 ] - [ -0.0002033000000000, 0.0004782400000000, -0.0003005700000000 ] - [ 0.0026878700000000, -0.0067820100000000, -0.0070050500000000 ] - [ -0.0018969000000000, 0.0008964300000000, 0.0003930300000000 ] - [ -0.0023801400000000, 0.0007593100000000, 0.0008486800000000 ] - [ -0.0022534300000000, 0.0007904500000000, -0.0013592600000000 ] - [ -0.0018969000000000, -0.0008964300000000, 0.0003930300000000 ] - [ -0.0023801400000000, -0.0007593100000000, 0.0008486800000000 ] - [ -0.0022534300000000, -0.0007904500000000, -0.0013592600000000 ] - [ 0.0033605500000000, -0.0006917900000000, 0.0002871500000000 ] - [ 0.0031661300000000, -0.0007415200000000, -0.0000943300000000 ] - [ 0.0034782000000000, -0.0007022500000000, -0.0002780200000000 ] - [ 0.0033605500000000, 0.0006917900000000, 0.0002871500000000 ] - [ 0.0031661300000000, 0.0007415200000000, -0.0000943300000000 ] - [ 0.0034782000000000, 0.0007022500000000, -0.0002780200000000 ] - [ 0.0010220500000000, -0.0014339700000000, -0.0001410600000000 ] - [ 0.0007746200000000, -0.0012054000000000, -0.0001406900000000 ] - [ 0.0008118900000000, -0.0012294500000000, -0.0001924000000000 ] - [ 0.0010220500000000, 0.0014339700000000, -0.0001410600000000 ] - [ 0.0007746200000000, 0.0012054000000000, -0.0001406900000000 ] - [ 0.0008118900000000, 0.0012294500000000, -0.0001924000000000 ] - [ 0.0019143500000000, -0.0016991700000000, 0.0001835800000000 ] - [ 0.0019559400000000, -0.0017138700000000, 0.0001605900000000 ] - [ 0.0022343100000000, -0.0017716500000000, 0.0001692200000000 ] - [ 0.0019143500000000, 0.0016991700000000, 0.0001835800000000 ] - [ 0.0019559400000000, 0.0017138700000000, 0.0001605900000000 ] - [ 0.0022343100000000, 0.0017716500000000, 0.0001692200000000 ] - [ -0.0110291000000000, 0.0000000000000000, -0.0040919100000000 ] - [ -0.0110680100000000, 0.0000000000000000, -0.0041678500000000 ] - [ -0.0110291300000000, 0.0000000000000000, -0.0041554400000000 ] - [ 0.0116324400000000, 0.0000000000000000, 0.0042286700000000 ] - [ 0.0115859500000000, 0.0000000000000000, 0.0042175900000000 ] - [ 0.0116375000000000, 0.0000000000000000, 0.0042724000000000 ] - [ 0.0000177000000000, -0.0009145400000000, -0.0002195400000000 ] - [ -0.0003012900000000, -0.0010424500000000, -0.0002325500000000 ] - [ -0.0003043100000000, -0.0010446000000000, -0.0002002200000000 ] - [ 0.0000177000000000, 0.0009145400000000, -0.0002195400000000 ] - [ -0.0003012900000000, 0.0010424500000000, -0.0002325500000000 ] - [ -0.0003043100000000, 0.0010446000000000, -0.0002002200000000 ] - [ 0.0003032800000000, -0.0002118300000000, 0.0001769800000000 ] - [ 0.0002986500000000, -0.0002098300000000, 0.0002514600000000 ] - [ 0.0005075800000000, -0.0000731800000000, 0.0002308100000000 ] - [ 0.0003032800000000, 0.0002118300000000, 0.0001769800000000 ] - [ 0.0002986500000000, 0.0002098300000000, 0.0002514600000000 ] - [ 0.0005075800000000, 0.0000731800000000, 0.0002308100000000 ] - [ -0.0022069500000000, -0.0003551000000000, -0.0002397300000000 ] - [ -0.0027799900000000, -0.0006342100000000, 0.0000094400000000 ] - [ -0.0022833500000000, -0.0003966000000000, 0.0003494500000000 ] - [ -0.0022069500000000, 0.0003551000000000, -0.0002397300000000 ] - [ -0.0027799900000000, 0.0006342100000000, 0.0000094400000000 ] - [ -0.0022833500000000, 0.0003966000000000, 0.0003494500000000 ] - [ 0.0035747600000000, -0.0009031300000000, -0.0019157800000000 ] - [ 0.0035284400000000, -0.0008771900000000, 0.0019003000000000 ] - [ 0.0038610000000000, -0.0012893300000000, 0.0001129600000000 ] - [ 0.0035747600000000, 0.0009031300000000, -0.0019157800000000 ] - [ 0.0035284400000000, 0.0008771900000000, 0.0019003000000000 ] - [ 0.0038610000000000, 0.0012893300000000, 0.0001129600000000 ] - [ -0.0011060600000000, 0.0015734300000000, 0.0002713500000000 ] - [ -0.0004190200000000, 0.0000412000000000, 0.0002233800000000 ] - [ -0.0011393900000000, 0.0015635400000000, 0.0002890300000000 ] - [ -0.0011060600000000, -0.0015734300000000, 0.0002713500000000 ] - [ -0.0004190200000000, -0.0000412000000000, 0.0002233800000000 ] - [ -0.0011393900000000, -0.0015635400000000, 0.0002890300000000 ] - [ 0.0068989400000000, -0.0074668500000000, -0.0087443300000000 ] - [ -0.0004744000000000, -0.0006769300000000, -0.0003504300000000 ] - [ 0.0061073400000000, -0.0068102200000000, 0.0084428800000000 ] - [ 0.0068989400000000, 0.0074668500000000, -0.0087443300000000 ] - [ -0.0004744000000000, 0.0006769300000000, -0.0003504300000000 ] - [ 0.0061073400000000, 0.0068102200000000, 0.0084428800000000 ] - [ -0.0118952900000000, 0.0000000000000000, 0.0038616900000000 ] - [ -0.0119441800000000, 0.0000000000000000, 0.0046355800000000 ] - [ -0.0120835000000000, 0.0000000000000000, 0.0044346800000000 ] - [ -0.0001914600000000, 0.0000000000000000, -0.0001530400000000 ] - [ -0.0002235800000000, 0.0000000000000000, -0.0003109400000000 ] - [ -0.0001379200000000, 0.0000000000000000, -0.0003880000000000 ] - [ 0.0009998600000000, 0.0000000000000000, -0.0002481100000000 ] - [ 0.0003787100000000, 0.0000000000000000, -0.0002170200000000 ] - [ 0.0004136000000000, 0.0000000000000000, -0.0003426200000000 ] - [ -0.0000316800000000, 0.0000000000000000, 0.0002084100000000 ] - [ -0.0000316300000000, 0.0000000000000000, 0.0003205700000000 ] - [ 0.0000341800000000, 0.0000000000000000, 0.0002742100000000 ] - [ 0.0004808600000000, 0.0000000000000000, -0.0000457900000000 ] - [ 0.0000532900000000, 0.0000000000000000, 0.0002527000000000 ] - [ 0.0004193500000000, 0.0000000000000000, 0.0006025100000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0221534700000000, 0.0000000000000000, -0.0172890600000000 ] - [ -0.0173840400000000, 0.0000000000000000, 0.0023501100000000 ] - [ -0.0268162600000000, 0.0000000000000000, 0.0327342400000000 ] - [ 0.0032054400000000, -0.0036517000000000, 0.0006686400000000 ] - [ 0.0021144400000000, -0.0006522600000000, -0.0002588500000000 ] - [ 0.0039110800000000, -0.0050155400000000, -0.0003528700000000 ] - [ 0.0032054400000000, 0.0036517000000000, 0.0006686400000000 ] - [ 0.0021144400000000, 0.0006522600000000, -0.0002588500000000 ] - [ 0.0039110800000000, 0.0050155400000000, -0.0003528700000000 ] - [ -0.0006337400000000, 0.0004047100000000, 0.0001433200000000 ] - [ -0.0015993600000000, -0.0000376100000000, 0.0003030800000000 ] - [ -0.0014535400000000, -0.0000468200000000, -0.0003224700000000 ] - [ -0.0006337400000000, -0.0004047100000000, 0.0001433200000000 ] - [ -0.0015993600000000, 0.0000376100000000, 0.0003030800000000 ] - [ -0.0014535400000000, 0.0000468200000000, -0.0003224700000000 ] - [ 0.0154308900000000, 0.0000000000000000, 0.0040663700000000 ] - [ 0.0149076600000000, 0.0000000000000000, 0.0040376600000000 ] - [ 0.0149590300000000, 0.0000000000000000, 0.0039965700000000 ] - [ -0.0117279200000000, 0.0000000000000000, -0.0039270200000000 ] - [ -0.0117148300000000, 0.0000000000000000, -0.0038572000000000 ] - [ -0.0111765000000000, 0.0000000000000000, -0.0038536500000000 ] - [ 0.0041695000000000, 0.0000293500000000, -0.0004677700000000 ] - [ 0.0041417100000000, 0.0000115500000000, 0.0003256200000000 ] - [ 0.0048622100000000, 0.0002204500000000, 0.0000078500000000 ] - [ 0.0041695000000000, -0.0000293500000000, -0.0004677700000000 ] - [ 0.0041417100000000, -0.0000115500000000, 0.0003256200000000 ] - [ 0.0048622100000000, -0.0002204500000000, 0.0000078500000000 ] - [ 0.0014330900000000, -0.0038738100000000, -0.0012928900000000 ] - [ -0.0041647400000000, -0.0001760200000000, -0.0001080300000000 ] - [ 0.0012972200000000, -0.0037456500000000, 0.0014480300000000 ] - [ 0.0014330900000000, 0.0038738100000000, -0.0012928900000000 ] - [ -0.0041647400000000, 0.0001760200000000, -0.0001080300000000 ] - [ 0.0012972200000000, 0.0037456500000000, 0.0014480300000000 ] - [ 0.0085106700000000, 0.0000000000000000, -0.0040954800000000 ] - [ 0.0108978900000000, 0.0000000000000000, -0.0038994000000000 ] - [ 0.0082632100000000, 0.0000000000000000, -0.0033735200000000 ] - [ 0.0517129400000000, 0.0000000000000000, -0.0152659700000000 ] - [ 0.0103163200000000, 0.0000000000000000, -0.0109195800000000 ] - [ 0.0102995400000000, 0.0000000000000000, 0.0044750800000000 ] - [ 0.0010571200000000, -0.0003310000000000, 0.0003015400000000 ] - [ 0.0000875300000000, -0.0008062400000000, 0.0002317900000000 ] - [ 0.0012436200000000, -0.0001766000000000, 0.0001333700000000 ] - [ 0.0010571200000000, 0.0003310000000000, 0.0003015400000000 ] - [ 0.0000875300000000, 0.0008062400000000, 0.0002317900000000 ] - [ 0.0012436200000000, 0.0001766000000000, 0.0001333700000000 ] - [ -0.0023939900000000, -0.0062959400000000, -0.0055869700000000 ] - [ -0.0003049300000000, -0.0009549100000000, -0.0000778500000000 ] - [ -0.0031855400000000, -0.0081564200000000, 0.0065562800000000 ] - [ -0.0023939900000000, 0.0062959400000000, -0.0055869700000000 ] - [ -0.0003049300000000, 0.0009549100000000, -0.0000778500000000 ] - [ -0.0031855400000000, 0.0081564200000000, 0.0065562800000000 ] - [ -0.0039629000000000, 0.0005054500000000, -0.0004633900000000 ] - [ -0.0034723800000000, 0.0006522500000000, -0.0008928800000000 ] - [ -0.0036001900000000, 0.0006200700000000, 0.0012830000000000 ] - [ -0.0039629000000000, -0.0005054500000000, -0.0004633900000000 ] - [ -0.0034723800000000, -0.0006522500000000, -0.0008928800000000 ] - [ -0.0036001900000000, -0.0006200700000000, 0.0012830000000000 ] - [ 0.0024918500000000, -0.0007212700000000, -0.0003492300000000 ] - [ 0.0026822800000000, -0.0006712600000000, 0.0000306700000000 ] - [ 0.0023730100000000, -0.0007103200000000, 0.0002113200000000 ] - [ 0.0024918500000000, 0.0007212700000000, -0.0003492300000000 ] - [ 0.0026822800000000, 0.0006712600000000, 0.0000306700000000 ] - [ 0.0023730100000000, 0.0007103200000000, 0.0002113200000000 ] - [ -0.0005412600000000, 0.0000440100000000, -0.0002395700000000 ] - [ -0.0002943800000000, -0.0001833700000000, -0.0002392800000000 ] - [ -0.0003323500000000, -0.0001586600000000, -0.0001870100000000 ] - [ -0.0005412600000000, -0.0000440100000000, -0.0002395700000000 ] - [ -0.0002943800000000, 0.0001833700000000, -0.0002392800000000 ] - [ -0.0003323500000000, 0.0001586600000000, -0.0001870100000000 ] - [ 0.0003546100000000, -0.0010820300000000, 0.0002046800000000 ] - [ 0.0003144900000000, -0.0010676900000000, 0.0002283900000000 ] - [ 0.0000355100000000, -0.0010085600000000, 0.0002182000000000 ] - [ 0.0003546100000000, 0.0010820300000000, 0.0002046800000000 ] - [ 0.0003144900000000, 0.0010676900000000, 0.0002283900000000 ] - [ 0.0000355100000000, 0.0010085600000000, 0.0002182000000000 ] - [ -0.0116264800000000, 0.0000000000000000, -0.0042887500000000 ] - [ -0.0115874200000000, 0.0000000000000000, -0.0042125100000000 ] - [ -0.0116265600000000, 0.0000000000000000, -0.0042268900000000 ] - [ 0.0110215000000000, 0.0000000000000000, 0.0041533600000000 ] - [ 0.0110679000000000, 0.0000000000000000, 0.0041638500000000 ] - [ 0.0110163100000000, 0.0000000000000000, 0.0041067300000000 ] - [ -0.0022917400000000, -0.0018679000000000, -0.0001699000000000 ] - [ -0.0019705700000000, -0.0017396200000000, -0.0001560400000000 ] - [ -0.0019652200000000, -0.0017354300000000, -0.0001870800000000 ] - [ -0.0022917400000000, 0.0018679000000000, -0.0001699000000000 ] - [ -0.0019705700000000, 0.0017396200000000, -0.0001560400000000 ] - [ -0.0019652200000000, 0.0017354300000000, -0.0001870800000000 ] - [ -0.0007857000000000, -0.0011785700000000, 0.0002030700000000 ] - [ -0.0007800200000000, -0.0011791800000000, 0.0001287000000000 ] - [ -0.0009902900000000, -0.0013166700000000, 0.0001481700000000 ] - [ -0.0007857000000000, 0.0011785700000000, 0.0002030700000000 ] - [ -0.0007800200000000, 0.0011791800000000, 0.0001287000000000 ] - [ -0.0009902900000000, 0.0013166700000000, 0.0001481700000000 ] - [ -0.0036483700000000, -0.0010593200000000, 0.0003061600000000 ] - [ -0.0030683800000000, -0.0007766400000000, 0.0000557200000000 ] - [ -0.0035701700000000, -0.0010170900000000, -0.0002896800000000 ] - [ -0.0036483700000000, 0.0010593200000000, 0.0003061600000000 ] - [ -0.0030683800000000, 0.0007766400000000, 0.0000557200000000 ] - [ -0.0035701700000000, 0.0010170900000000, -0.0002896800000000 ] - [ 0.0022751600000000, -0.0005095200000000, 0.0020023000000000 ] - [ 0.0023228100000000, -0.0005361400000000, -0.0018560800000000 ] - [ 0.0019998100000000, -0.0001246300000000, -0.0000528900000000 ] - [ 0.0022751600000000, 0.0005095200000000, 0.0020023000000000 ] - [ 0.0023228100000000, 0.0005361400000000, -0.0018560800000000 ] - [ 0.0019998100000000, 0.0001246300000000, -0.0000528900000000 ] - [ 0.0015924600000000, -0.0029722400000000, 0.0001061400000000 ] - [ 0.0008998700000000, -0.0014247700000000, 0.0001574300000000 ] - [ 0.0016249200000000, -0.0029587700000000, 0.0000907100000000 ] - [ 0.0015924600000000, 0.0029722400000000, 0.0001061400000000 ] - [ 0.0008998700000000, 0.0014247700000000, 0.0001574300000000 ] - [ 0.0016249200000000, 0.0029587700000000, 0.0000907100000000 ] - [ -0.0046368100000000, 0.0047475600000000, 0.0084402900000000 ] - [ 0.0027893100000000, -0.0021326900000000, -0.0000407800000000 ] - [ -0.0038272700000000, 0.0040708800000000, -0.0089099100000000 ] - [ -0.0046368100000000, -0.0047475600000000, 0.0084402900000000 ] - [ 0.0027893100000000, 0.0021326900000000, -0.0000407800000000 ] - [ -0.0038272700000000, -0.0040708800000000, -0.0089099100000000 ] - [ -0.0107578900000000, 0.0000000000000000, 0.0045290300000000 ] - [ -0.0107089700000000, 0.0000000000000000, 0.0037376000000000 ] - [ -0.0105697400000000, 0.0000000000000000, 0.0039454300000000 ] - [ -0.0001486100000000, 0.0000000000000000, -0.0003848600000000 ] - [ -0.0001191300000000, 0.0000000000000000, -0.0002278400000000 ] - [ -0.0002028900000000, 0.0000000000000000, -0.0001533000000000 ] - [ -0.0006540900000000, 0.0000000000000000, -0.0002900100000000 ] - [ -0.0000390300000000, 0.0000000000000000, -0.0003209600000000 ] - [ -0.0000744100000000, 0.0000000000000000, -0.0001953300000000 ] - [ -0.0003101400000000, 0.0000000000000000, 0.0003300700000000 ] - [ -0.0003100100000000, 0.0000000000000000, 0.0002177800000000 ] - [ -0.0003765200000000, 0.0000000000000000, 0.0002629700000000 ] - [ -0.0001412500000000, 0.0000000000000000, 0.0005883900000000 ] - [ 0.0002910800000000, 0.0000000000000000, 0.0002874600000000 ] - [ -0.0000792200000000, 0.0000000000000000, -0.0000675000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0134635400000000, 0.0015187700000000, 0.0034444300000000 ] - [ -0.0133443600000000, 0.0012149200000000, 0.0039241200000000 ] - [ -0.0134873400000000, 0.0062806400000000, 0.0047035200000000 ] - [ 0.0049008700000000, -0.0041163600000000, 0.0010083900000000 ] - [ 0.0022728500000000, -0.0000048800000000, -0.0001721300000000 ] - [ 0.0051449700000000, -0.0048007100000000, -0.0009902500000000 ] - [ 0.0007726000000000, -0.0039005400000000, -0.0009321400000000 ] - [ 0.0034468200000000, 0.0002680100000000, 0.0002489800000000 ] - [ 0.0005442100000000, -0.0045583500000000, 0.0010857100000000 ] - [ -0.0039855900000000, 0.0002769200000000, 0.0000265500000000 ] - [ -0.0034854900000000, 0.0001039200000000, -0.0002060900000000 ] - [ -0.0035898000000000, 0.0001499300000000, 0.0003062600000000 ] - [ -0.0017058400000000, 0.0005105200000000, 0.0000608900000000 ] - [ -0.0022081100000000, 0.0003348500000000, 0.0002847200000000 ] - [ -0.0020992200000000, 0.0003791300000000, -0.0002203800000000 ] - [ 0.0133349400000000, -0.0009783600000000, 0.0039517600000000 ] - [ 0.0133349200000000, -0.0007240700000000, 0.0039501300000000 ] - [ 0.0133333200000000, -0.0007474400000000, 0.0039515500000000 ] - [ -0.0133327200000000, 0.0007265000000000, -0.0039519700000000 ] - [ -0.0133330400000000, 0.0007340900000000, -0.0039513800000000 ] - [ -0.0133320000000000, 0.0009363800000000, -0.0039513700000000 ] - [ 0.0020214300000000, -0.0004603200000000, 0.0001798000000000 ] - [ 0.0020344900000000, -0.0004504500000000, -0.0002507800000000 ] - [ 0.0016441500000000, -0.0006425600000000, -0.0000594200000000 ] - [ 0.0036742600000000, -0.0002277600000000, -0.0002703700000000 ] - [ 0.0036578700000000, -0.0002180500000000, 0.0001684800000000 ] - [ 0.0040545400000000, -0.0004116800000000, -0.0000212200000000 ] - [ 0.0020577900000000, -0.0020340500000000, -0.0008369400000000 ] - [ -0.0026254900000000, -0.0000909400000000, -0.0000272900000000 ] - [ 0.0021383100000000, -0.0020951700000000, 0.0009755100000000 ] - [ -0.0077330300000000, -0.0017971200000000, 0.0007461000000000 ] - [ -0.0031065300000000, 0.0001195200000000, -0.0000642000000000 ] - [ -0.0078394600000000, -0.0018706100000000, -0.0010462100000000 ] - [ 0.0133339800000000, -0.0043053800000000, -0.0039570100000000 ] - [ 0.0133330800000000, -0.0016670500000000, -0.0039534000000000 ] - [ 0.0133335100000000, -0.0042723100000000, -0.0039451400000000 ] - [ 0.0115333300000000, -0.0266903700000000, -0.0044688000000000 ] - [ 0.0113809300000000, 0.0049865700000000, -0.0043304000000000 ] - [ 0.0113760200000000, 0.0049870700000000, -0.0040125700000000 ] - [ -0.0003340300000000, -0.0003269600000000, -0.0000066500000000 ] - [ -0.0007801400000000, -0.0010748900000000, 0.0002058500000000 ] - [ -0.0002535400000000, -0.0003259900000000, 0.0005008600000000 ] - [ -0.0019373400000000, 0.0024558400000000, 0.0003974800000000 ] - [ -0.0014874200000000, 0.0017026900000000, 0.0001837400000000 ] - [ -0.0020157200000000, 0.0024527400000000, -0.0001154700000000 ] - [ 0.0042564700000000, 0.0024470500000000, 0.0058514300000000 ] - [ -0.0009372500000000, -0.0018882400000000, -0.0001801000000000 ] - [ 0.0043641800000000, 0.0029373500000000, -0.0079196700000000 ] - [ -0.0046702300000000, 0.0038203900000000, -0.0061459700000000 ] - [ 0.0004202900000000, -0.0004397900000000, -0.0001940500000000 ] - [ -0.0048069500000000, 0.0043515600000000, 0.0074678300000000 ] - [ -0.0018758700000000, 0.0007542000000000, 0.0000680400000000 ] - [ -0.0024476200000000, 0.0008917300000000, 0.0012576500000000 ] - [ -0.0023591000000000, 0.0009321200000000, -0.0016999700000000 ] - [ -0.0039853600000000, -0.0006438300000000, -0.0001414300000000 ] - [ -0.0034049400000000, -0.0005196500000000, -0.0012926000000000 ] - [ -0.0034948500000000, -0.0004777400000000, 0.0016164400000000 ] - [ 0.0034254000000000, -0.0008351000000000, 0.0001236200000000 ] - [ 0.0030521900000000, -0.0008026100000000, -0.0000557200000000 ] - [ 0.0034386900000000, -0.0008443500000000, -0.0001366600000000 ] - [ 0.0024296300000000, 0.0005785800000000, -0.0001879500000000 ] - [ 0.0027959500000000, 0.0006100300000000, -0.0000069500000000 ] - [ 0.0024138700000000, 0.0005686100000000, 0.0000711000000000 ] - [ -0.0001391700000000, -0.0002512600000000, -0.0002137200000000 ] - [ -0.0000170100000000, -0.0003656500000000, -0.0002210000000000 ] - [ -0.0000421300000000, -0.0003500500000000, -0.0001896600000000 ] - [ 0.0006186800000000, 0.0011385600000000, -0.0001670600000000 ] - [ 0.0004972300000000, 0.0010243800000000, -0.0001591100000000 ] - [ 0.0005218100000000, 0.0010387700000000, -0.0001896600000000 ] - [ 0.0013902700000000, -0.0015686300000000, 0.0001976600000000 ] - [ 0.0014131600000000, -0.0015809100000000, 0.0001779600000000 ] - [ 0.0015105400000000, -0.0016429200000000, 0.0001859700000000 ] - [ 0.0008795500000000, 0.0012136200000000, 0.0001903900000000 ] - [ 0.0008571800000000, 0.0012012800000000, 0.0002108900000000 ] - [ 0.0007590900000000, 0.0011383600000000, 0.0002011800000000 ] - [ -0.0113281600000000, 0.0001353800000000, -0.0041900800000000 ] - [ -0.0113280600000000, 0.0001212500000000, -0.0041889900000000 ] - [ -0.0113281000000000, 0.0001351700000000, -0.0041906500000000 ] - [ 0.0113275200000000, -0.0001262200000000, 0.0041896300000000 ] - [ 0.0113275300000000, -0.0001121400000000, 0.0041903400000000 ] - [ 0.0113275600000000, -0.0001273600000000, 0.0041889700000000 ] - [ -0.0006263600000000, -0.0010592500000000, -0.0002049200000000 ] - [ -0.0007692700000000, -0.0011559700000000, -0.0002134300000000 ] - [ -0.0007753600000000, -0.0011582600000000, -0.0001910800000000 ] - [ -0.0016464100000000, 0.0017238900000000, -0.0001847000000000 ] - [ -0.0015018200000000, 0.0016263900000000, -0.0001754000000000 ] - [ -0.0014935700000000, 0.0016225200000000, -0.0001960900000000 ] - [ -0.0005455500000000, -0.0010738700000000, 0.0001873900000000 ] - [ -0.0005419900000000, -0.0010719600000000, 0.0001611200000000 ] - [ -0.0006389400000000, -0.0011714900000000, 0.0001667500000000 ] - [ 0.0000642900000000, 0.0003170900000000, 0.0001924800000000 ] - [ 0.0000616200000000, 0.0003176800000000, 0.0002189900000000 ] - [ 0.0001572400000000, 0.0002191300000000, 0.0002118000000000 ] - [ -0.0023146700000000, -0.0003736700000000, -0.0001255100000000 ] - [ -0.0027096400000000, -0.0005463000000000, 0.0000302800000000 ] - [ -0.0023545200000000, -0.0003931000000000, 0.0002075200000000 ] - [ -0.0035423600000000, 0.0010402800000000, 0.0001905400000000 ] - [ -0.0031379700000000, 0.0008639900000000, 0.0000354100000000 ] - [ -0.0034973400000000, 0.0010189100000000, -0.0001476000000000 ] - [ 0.0023213300000000, -0.0007291000000000, 0.0014679100000000 ] - [ 0.0023393900000000, -0.0007091500000000, -0.0013517800000000 ] - [ 0.0020469300000000, -0.0006632200000000, -0.0000058600000000 ] - [ 0.0035291700000000, 0.0006838000000000, -0.0013762800000000 ] - [ 0.0035130100000000, 0.0007041600000000, 0.0013977300000000 ] - [ 0.0038108200000000, 0.0007552400000000, 0.0000592800000000 ] - [ -0.0007284400000000, 0.0015882000000000, 0.0001941900000000 ] - [ -0.0002748500000000, 0.0002294800000000, 0.0002210600000000 ] - [ -0.0007284000000000, 0.0015940000000000, 0.0003856100000000 ] - [ 0.0012115700000000, 0.0029835100000000, 0.0001858000000000 ] - [ 0.0007546600000000, 0.0016126100000000, 0.0001598700000000 ] - [ 0.0012102700000000, 0.0029829900000000, -0.0000089500000000 ] - [ -0.0077940400000000, 0.0021896000000000, 0.0077037700000000 ] - [ 0.0006734800000000, -0.0013402500000000, 0.0000100100000000 ] - [ -0.0072719300000000, 0.0016436500000000, -0.0075729700000000 ] - [ 0.0099815100000000, 0.0049755100000000, -0.0080011600000000 ] - [ 0.0016427200000000, 0.0014719800000000, -0.0003970400000000 ] - [ 0.0095165800000000, 0.0044517700000000, 0.0071147800000000 ] - [ -0.0113273200000000, 0.0004415600000000, 0.0041964500000000 ] - [ -0.0113272800000000, 0.0004548400000000, 0.0041859700000000 ] - [ -0.0113277600000000, 0.0007672200000000, 0.0041879800000000 ] - [ -0.0001699800000000, 0.0011674400000000, -0.0002692300000000 ] - [ -0.0001721100000000, 0.0005403100000000, -0.0002694500000000 ] - [ -0.0001707600000000, 0.0013200000000000, -0.0002705300000000 ] - [ 0.0001711400000000, -0.0004247800000000, -0.0002695300000000 ] - [ 0.0001705600000000, -0.0002714500000000, -0.0002690200000000 ] - [ 0.0001705700000000, -0.0002906700000000, -0.0002691400000000 ] - [ -0.0001714100000000, 0.0003080500000000, 0.0002692400000000 ] - [ -0.0001711800000000, 0.0003053900000000, 0.0002692300000000 ] - [ -0.0001716800000000, 0.0003911600000000, 0.0002684800000000 ] - [ 0.0001705600000000, -0.0014872800000000, 0.0002688800000000 ] - [ 0.0001729100000000, -0.0007147000000000, 0.0002702800000000 ] - [ 0.0001711300000000, -0.0014864700000000, 0.0002695400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0061171800000000, 0.0000000000000000, 0.0138955800000000 ] - [ -0.0126604800000000, 0.0000000000000000, -0.0683296800000000 ] - [ -0.0361044600000000, 0.0000000000000000, 0.1448598300000000 ] - [ -0.0098208200000000, 0.0198954100000000, 0.0049932700000000 ] - [ 0.0029282800000000, -0.0007698800000000, -0.0103551900000000 ] - [ 0.0155881900000000, -0.0220883600000000, 0.0048573800000000 ] - [ -0.0098208200000000, -0.0198954100000000, 0.0049932700000000 ] - [ 0.0029282800000000, 0.0007698800000000, -0.0103551900000000 ] - [ 0.0155881900000000, 0.0220883600000000, 0.0048573800000000 ] - [ -0.0027372600000000, -0.0001594800000000, 0.0046002400000000 ] - [ -0.0050177300000000, -0.0003374000000000, -0.0022833900000000 ] - [ -0.0000703100000000, -0.0000207100000000, -0.0021834100000000 ] - [ -0.0027372600000000, 0.0001594800000000, 0.0046002400000000 ] - [ -0.0050177300000000, 0.0003374000000000, -0.0022833900000000 ] - [ -0.0000703100000000, 0.0000207100000000, -0.0021834100000000 ] - [ 0.0136579400000000, 0.0000000000000000, 0.0052733700000000 ] - [ 0.0130106200000000, 0.0000000000000000, 0.0033286400000000 ] - [ 0.0142497400000000, 0.0000000000000000, 0.0032934500000000 ] - [ -0.0131156600000000, 0.0000000000000000, -0.0046259200000000 ] - [ -0.0129873300000000, 0.0000000000000000, -0.0044836900000000 ] - [ -0.0130186300000000, 0.0000000000000000, -0.0027095800000000 ] - [ 0.0044221900000000, 0.0002995900000000, -0.0017283800000000 ] - [ 0.0017548900000000, -0.0004285500000000, -0.0016450400000000 ] - [ 0.0031502900000000, -0.0001038700000000, 0.0032364500000000 ] - [ 0.0044221900000000, -0.0002995900000000, -0.0017283800000000 ] - [ 0.0017548900000000, 0.0004285500000000, -0.0016450400000000 ] - [ 0.0031502900000000, 0.0001038700000000, 0.0032364500000000 ] - [ 0.0144419200000000, -0.0095424200000000, 0.0031968500000000 ] - [ -0.0028983300000000, -0.0002033400000000, -0.0067920700000000 ] - [ -0.0197825500000000, 0.0083679600000000, 0.0035489800000000 ] - [ 0.0144419200000000, 0.0095424200000000, 0.0031968500000000 ] - [ -0.0028983300000000, 0.0002033400000000, -0.0067920700000000 ] - [ -0.0197825500000000, -0.0083679600000000, 0.0035489800000000 ] - [ 0.0141229000000000, 0.0000000000000000, -0.0010516600000000 ] - [ 0.0129017100000000, 0.0000000000000000, -0.0102396100000000 ] - [ 0.0106395100000000, 0.0000000000000000, -0.0005184200000000 ] - [ 0.0209185200000000, 0.0000000000000000, -0.3502193400000000 ] - [ 0.0026759800000000, 0.0000000000000000, 0.0867865800000000 ] - [ 0.0178176000000000, 0.0000000000000000, 0.0857796000000000 ] - [ -0.0033549200000000, -0.0037864900000000, -0.0000820000000000 ] - [ -0.0007432500000000, -0.0012045900000000, 0.0010740100000000 ] - [ 0.0019865700000000, 0.0014347200000000, -0.0002938300000000 ] - [ -0.0033549200000000, 0.0037864900000000, -0.0000820000000000 ] - [ -0.0007432500000000, 0.0012045900000000, 0.0010740100000000 ] - [ 0.0019865700000000, -0.0014347200000000, -0.0002938300000000 ] - [ 0.0231723700000000, 0.0327222300000000, 0.0083729700000000 ] - [ -0.0010451500000000, -0.0019203900000000, 0.0040655000000000 ] - [ -0.0270450600000000, -0.0392129200000000, 0.0060801700000000 ] - [ 0.0231723700000000, -0.0327222300000000, 0.0083729700000000 ] - [ -0.0010451500000000, 0.0019203900000000, 0.0040655000000000 ] - [ -0.0270450600000000, 0.0392129200000000, 0.0060801700000000 ] - [ -0.0027402800000000, 0.0006865700000000, -0.0149998700000000 ] - [ -0.0016127000000000, 0.0013911900000000, 0.0081757500000000 ] - [ -0.0045509600000000, 0.0001245000000000, 0.0081582500000000 ] - [ -0.0027402800000000, -0.0006865700000000, -0.0149998700000000 ] - [ -0.0016127000000000, -0.0013911900000000, 0.0081757500000000 ] - [ -0.0045509600000000, -0.0001245000000000, 0.0081582500000000 ] - [ 0.0055152700000000, -0.0008296800000000, -0.0012331200000000 ] - [ 0.0028061500000000, -0.0006821500000000, 0.0025115700000000 ] - [ 0.0001120700000000, -0.0005569400000000, -0.0014162800000000 ] - [ 0.0055152700000000, 0.0008296800000000, -0.0012331200000000 ] - [ 0.0028061500000000, 0.0006821500000000, 0.0025115700000000 ] - [ 0.0001120700000000, 0.0005569400000000, -0.0014162800000000 ] - [ 0.0001524400000000, -0.0005898700000000, -0.0006417400000000 ] - [ 0.0007360800000000, -0.0010927100000000, 0.0000239900000000 ] - [ -0.0004791700000000, -0.0001354600000000, 0.0000274500000000 ] - [ 0.0001524400000000, 0.0005898700000000, -0.0006417400000000 ] - [ 0.0007360800000000, 0.0010927100000000, 0.0000239900000000 ] - [ -0.0004791700000000, 0.0001354600000000, 0.0000274500000000 ] - [ 0.0016646700000000, -0.0015703600000000, 0.0003332000000000 ] - [ 0.0002728100000000, -0.0010722000000000, 0.0003225400000000 ] - [ 0.0010312800000000, -0.0013372400000000, -0.0000636500000000 ] - [ 0.0016646700000000, 0.0015703600000000, 0.0003332000000000 ] - [ 0.0002728100000000, 0.0010722000000000, 0.0003225400000000 ] - [ 0.0010312800000000, 0.0013372400000000, -0.0000636500000000 ] - [ -0.0113621100000000, 0.0000000000000000, -0.0048834300000000 ] - [ -0.0113485100000000, 0.0000000000000000, -0.0028360600000000 ] - [ -0.0114249200000000, 0.0000000000000000, -0.0048727600000000 ] - [ 0.0112896900000000, 0.0000000000000000, 0.0036290700000000 ] - [ 0.0113010200000000, 0.0000000000000000, 0.0054162700000000 ] - [ 0.0112445100000000, 0.0000000000000000, 0.0035011800000000 ] - [ -0.0013103200000000, -0.0014662000000000, -0.0004267900000000 ] - [ -0.0016758300000000, -0.0016429900000000, -0.0000814900000000 ] - [ -0.0009086400000000, -0.0012710800000000, -0.0000553000000000 ] - [ -0.0013103200000000, 0.0014662000000000, -0.0004267900000000 ] - [ -0.0016758300000000, 0.0016429900000000, -0.0000814900000000 ] - [ -0.0009086400000000, 0.0012710800000000, -0.0000553000000000 ] - [ -0.0006161000000000, -0.0009493000000000, 0.0003765500000000 ] - [ -0.0000500200000000, -0.0005815600000000, 0.0003282700000000 ] - [ -0.0003583400000000, -0.0008196900000000, -0.0001504400000000 ] - [ -0.0006161000000000, 0.0009493000000000, 0.0003765500000000 ] - [ -0.0000500200000000, 0.0005815600000000, 0.0003282700000000 ] - [ -0.0003583400000000, 0.0008196900000000, -0.0001504400000000 ] - [ -0.0053385100000000, -0.0017348300000000, -0.0008112300000000 ] - [ -0.0029667300000000, -0.0007283000000000, 0.0018999700000000 ] - [ -0.0007061600000000, 0.0002280800000000, -0.0008754200000000 ] - [ -0.0053385100000000, 0.0017348300000000, -0.0008112300000000 ] - [ -0.0029667300000000, 0.0007283000000000, 0.0018999700000000 ] - [ -0.0007061600000000, -0.0002280800000000, -0.0008754200000000 ] - [ 0.0019909900000000, -0.0002425800000000, 0.0058712400000000 ] - [ 0.0035513000000000, -0.0010563200000000, 0.0055353000000000 ] - [ 0.0026006300000000, -0.0004505900000000, -0.0110098200000000 ] - [ 0.0019909900000000, 0.0002425800000000, 0.0058712400000000 ] - [ 0.0035513000000000, 0.0010563200000000, 0.0055353000000000 ] - [ 0.0026006300000000, 0.0004505900000000, -0.0110098200000000 ] - [ 0.0007748300000000, -0.0041798700000000, -0.0002692600000000 ] - [ 0.0003384400000000, -0.0008043700000000, 0.0010233900000000 ] - [ 0.0002128000000000, 0.0020027800000000, -0.0003967000000000 ] - [ 0.0007748300000000, 0.0041798700000000, -0.0002692600000000 ] - [ 0.0003384400000000, 0.0008043700000000, 0.0010233900000000 ] - [ 0.0002128000000000, -0.0020027800000000, -0.0003967000000000 ] - [ -0.0255689700000000, 0.0153297000000000, 0.0103377000000000 ] - [ 0.0015113600000000, -0.0015251200000000, 0.0040112300000000 ] - [ 0.0285795500000000, -0.0183673600000000, 0.0078375000000000 ] - [ -0.0255689700000000, -0.0153297000000000, 0.0103377000000000 ] - [ 0.0015113600000000, 0.0015251200000000, 0.0040112300000000 ] - [ 0.0285795500000000, 0.0183673600000000, 0.0078375000000000 ] - [ -0.0116652500000000, 0.0000000000000000, 0.0080026400000000 ] - [ -0.0108803300000000, 0.0000000000000000, 0.0076350300000000 ] - [ -0.0110826200000000, 0.0000000000000000, -0.0030947600000000 ] - [ 0.0011604600000000, 0.0000000000000000, -0.0006174400000000 ] - [ -0.0001822300000000, 0.0000000000000000, 0.0010704800000000 ] - [ -0.0015464700000000, 0.0000000000000000, -0.0009302600000000 ] - [ 0.0002625900000000, 0.0000000000000000, -0.0011318900000000 ] - [ 0.0008375600000000, 0.0000000000000000, 0.0001532400000000 ] - [ -0.0005636400000000, 0.0000000000000000, 0.0001396900000000 ] - [ -0.0003352500000000, 0.0000000000000000, 0.0004965000000000 ] - [ -0.0000453200000000, 0.0000000000000000, 0.0004920200000000 ] - [ -0.0002076400000000, 0.0000000000000000, -0.0001824200000000 ] - [ -0.0015793600000000, 0.0000000000000000, -0.0000548100000000 ] - [ 0.0001822100000000, 0.0000000000000000, 0.0010988800000000 ] - [ 0.0019259700000000, 0.0000000000000000, -0.0000809800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0320206700000000, 0.0000000000000000, -0.0006345200000000 ] - [ -0.0139258600000000, 0.0000000000000000, 0.0755794400000000 ] - [ 0.0113314700000000, 0.0000000000000000, -0.1521884100000000 ] - [ 0.0154510600000000, -0.0199711500000000, -0.0048037200000000 ] - [ 0.0027127500000000, 0.0006289400000000, 0.0103394500000000 ] - [ -0.0097390300000000, 0.0216668300000000, -0.0047919100000000 ] - [ 0.0154510600000000, 0.0199711500000000, -0.0048037200000000 ] - [ 0.0027127500000000, -0.0006289400000000, 0.0103394500000000 ] - [ -0.0097390300000000, -0.0216668300000000, -0.0047919100000000 ] - [ -0.0029284000000000, -0.0000514600000000, -0.0044790900000000 ] - [ -0.0007198600000000, 0.0001034600000000, 0.0023719700000000 ] - [ -0.0056206400000000, -0.0002126500000000, 0.0022240500000000 ] - [ -0.0029284000000000, 0.0000514600000000, -0.0044790900000000 ] - [ -0.0007198600000000, -0.0001034600000000, 0.0023719700000000 ] - [ -0.0056206400000000, 0.0002126500000000, 0.0022240500000000 ] - [ 0.0130081800000000, 0.0000000000000000, 0.0026386500000000 ] - [ 0.0136398200000000, 0.0000000000000000, 0.0045750800000000 ] - [ 0.0124098800000000, 0.0000000000000000, 0.0045940300000000 ] - [ -0.0135625700000000, 0.0000000000000000, -0.0032740500000000 ] - [ -0.0136921700000000, 0.0000000000000000, -0.0034339400000000 ] - [ -0.0136550900000000, 0.0000000000000000, -0.0051833500000000 ] - [ 0.0012825000000000, -0.0005304800000000, 0.0016468700000000 ] - [ 0.0039266100000000, 0.0001919300000000, 0.0015284600000000 ] - [ 0.0025199400000000, -0.0001398200000000, -0.0032929700000000 ] - [ 0.0012825000000000, 0.0005304800000000, 0.0016468700000000 ] - [ 0.0039266100000000, -0.0001919300000000, 0.0015284600000000 ] - [ 0.0025199400000000, 0.0001398200000000, -0.0032929700000000 ] - [ -0.0200907400000000, 0.0093018900000000, -0.0031787900000000 ] - [ -0.0026999300000000, -0.0000735000000000, 0.0066490500000000 ] - [ 0.0138611700000000, -0.0084650600000000, -0.0036797200000000 ] - [ -0.0200907400000000, -0.0093018900000000, -0.0031787900000000 ] - [ -0.0026999300000000, 0.0000735000000000, 0.0066490500000000 ] - [ 0.0138611700000000, 0.0084650600000000, -0.0036797200000000 ] - [ 0.0125991800000000, 0.0000000000000000, -0.0067798300000000 ] - [ 0.0137997500000000, 0.0000000000000000, 0.0022817700000000 ] - [ 0.0160590500000000, 0.0000000000000000, -0.0073983700000000 ] - [ -0.0006995600000000, 0.0000000000000000, 0.3503426300000000 ] - [ 0.0197511500000000, 0.0000000000000000, -0.0935757500000000 ] - [ 0.0045722400000000, 0.0000000000000000, -0.0945790700000000 ] - [ 0.0010220900000000, 0.0009766600000000, 0.0004539500000000 ] - [ -0.0015538700000000, -0.0015955100000000, -0.0006785100000000 ] - [ -0.0042733700000000, -0.0042024600000000, 0.0006888700000000 ] - [ 0.0010220900000000, -0.0009766600000000, 0.0004539500000000 ] - [ -0.0015538700000000, 0.0015955100000000, -0.0006785100000000 ] - [ -0.0042733700000000, 0.0042024600000000, 0.0006888700000000 ] - [ -0.0232914900000000, -0.0336403400000000, -0.0087978500000000 ] - [ 0.0006638300000000, 0.0006807000000000, -0.0044075000000000 ] - [ 0.0266076500000000, 0.0378082500000000, -0.0062229100000000 ] - [ -0.0232914900000000, 0.0336403400000000, -0.0087978500000000 ] - [ 0.0006638300000000, -0.0006807000000000, -0.0044075000000000 ] - [ 0.0266076500000000, -0.0378082500000000, -0.0062229100000000 ] - [ -0.0031370000000000, 0.0007006800000000, 0.0147934500000000 ] - [ -0.0042188300000000, 0.0000173600000000, -0.0082005200000000 ] - [ -0.0013068300000000, 0.0012754700000000, -0.0081016000000000 ] - [ -0.0031370000000000, -0.0007006800000000, 0.0147934500000000 ] - [ -0.0042188300000000, -0.0000173600000000, -0.0082005200000000 ] - [ -0.0013068300000000, -0.0012754700000000, -0.0081016000000000 ] - [ 0.0003598500000000, -0.0005880900000000, 0.0011365200000000 ] - [ 0.0030659100000000, -0.0007322700000000, -0.0025545100000000 ] - [ 0.0057194700000000, -0.0008566100000000, 0.0013605100000000 ] - [ 0.0003598500000000, 0.0005880900000000, 0.0011365200000000 ] - [ 0.0030659100000000, 0.0007322700000000, -0.0025545100000000 ] - [ 0.0057194700000000, 0.0008566100000000, 0.0013605100000000 ] - [ 0.0003247400000000, -0.0007956300000000, 0.0002573300000000 ] - [ -0.0002436900000000, -0.0003058200000000, -0.0004056900000000 ] - [ 0.0009614600000000, -0.0012564400000000, -0.0004030200000000 ] - [ 0.0003247400000000, 0.0007956300000000, 0.0002573300000000 ] - [ -0.0002436900000000, 0.0003058200000000, -0.0004056900000000 ] - [ 0.0009614600000000, 0.0012564400000000, -0.0004030200000000 ] - [ 0.0006222400000000, -0.0012174500000000, 0.0000535900000000 ] - [ 0.0020040600000000, -0.0017124300000000, 0.0000681800000000 ] - [ 0.0012372900000000, -0.0014455300000000, 0.0004484200000000 ] - [ 0.0006222400000000, 0.0012174500000000, 0.0000535900000000 ] - [ 0.0020040600000000, 0.0017124300000000, 0.0000681800000000 ] - [ 0.0012372900000000, 0.0014455300000000, 0.0004484200000000 ] - [ -0.0112904300000000, 0.0000000000000000, -0.0035138100000000 ] - [ -0.0113038300000000, 0.0000000000000000, -0.0055328400000000 ] - [ -0.0112279200000000, 0.0000000000000000, -0.0035038200000000 ] - [ 0.0113653000000000, 0.0000000000000000, 0.0047359800000000 ] - [ 0.0113544600000000, 0.0000000000000000, 0.0029751800000000 ] - [ 0.0114102300000000, 0.0000000000000000, 0.0048822200000000 ] - [ -0.0009538900000000, -0.0013119600000000, 0.0000351100000000 ] - [ -0.0005964700000000, -0.0011392900000000, -0.0003090300000000 ] - [ -0.0013560300000000, -0.0015068600000000, -0.0003303800000000 ] - [ -0.0009538900000000, 0.0013119600000000, 0.0000351100000000 ] - [ -0.0005964700000000, 0.0011392900000000, -0.0003090300000000 ] - [ -0.0013560300000000, 0.0015068600000000, -0.0003303800000000 ] - [ 0.0001342000000000, -0.0004401400000000, 0.0000020300000000 ] - [ -0.0004266400000000, -0.0008040300000000, 0.0000550900000000 ] - [ -0.0001178700000000, -0.0005674800000000, 0.0005261900000000 ] - [ 0.0001342000000000, 0.0004401400000000, 0.0000020300000000 ] - [ -0.0004266400000000, 0.0008040300000000, 0.0000550900000000 ] - [ -0.0001178700000000, 0.0005674800000000, 0.0005261900000000 ] - [ -0.0005280800000000, 0.0003157100000000, 0.0008533600000000 ] - [ -0.0028987300000000, -0.0006889100000000, -0.0018203700000000 ] - [ -0.0051227100000000, -0.0016313500000000, 0.0009450900000000 ] - [ -0.0005280800000000, -0.0003157100000000, 0.0008533600000000 ] - [ -0.0028987300000000, 0.0006889100000000, -0.0018203700000000 ] - [ -0.0051227100000000, 0.0016313500000000, 0.0009450900000000 ] - [ 0.0038585700000000, -0.0011705400000000, -0.0058158700000000 ] - [ 0.0023094500000000, -0.0003615300000000, -0.0053608500000000 ] - [ 0.0032854300000000, -0.0009874200000000, 0.0109742500000000 ] - [ 0.0038585700000000, 0.0011705400000000, -0.0058158700000000 ] - [ 0.0023094500000000, 0.0003615300000000, -0.0053608500000000 ] - [ 0.0032854300000000, 0.0009874200000000, 0.0109742500000000 ] - [ -0.0002966200000000, 0.0027845500000000, 0.0006352700000000 ] - [ 0.0001374700000000, -0.0005947900000000, -0.0006359500000000 ] - [ 0.0002567700000000, -0.0033420600000000, 0.0007789600000000 ] - [ -0.0002966200000000, -0.0027845500000000, 0.0006352700000000 ] - [ 0.0001374700000000, 0.0005947900000000, -0.0006359500000000 ] - [ 0.0002567700000000, 0.0033420600000000, 0.0007789600000000 ] - [ 0.0275490800000000, -0.0178937600000000, -0.0107063300000000 ] - [ 0.0006332700000000, -0.0011844000000000, -0.0043603300000000 ] - [ -0.0262181200000000, 0.0155836900000000, -0.0080635100000000 ] - [ 0.0275490800000000, 0.0178937600000000, -0.0107063300000000 ] - [ 0.0006332700000000, 0.0011844000000000, -0.0043603300000000 ] - [ -0.0262181200000000, -0.0155836900000000, -0.0080635100000000 ] - [ -0.0109978100000000, 0.0000000000000000, 0.0003726000000000 ] - [ -0.0117782200000000, 0.0000000000000000, 0.0008114600000000 ] - [ -0.0115721900000000, 0.0000000000000000, 0.0114089100000000 ] - [ -0.0014858900000000, 0.0000000000000000, 0.0000705000000000 ] - [ -0.0001500900000000, 0.0000000000000000, -0.0015963800000000 ] - [ 0.0011994400000000, 0.0000000000000000, 0.0003940000000000 ] - [ 0.0000515300000000, 0.0000000000000000, 0.0005860200000000 ] - [ -0.0004860700000000, 0.0000000000000000, -0.0006935400000000 ] - [ 0.0009035500000000, 0.0000000000000000, -0.0006702400000000 ] - [ -0.0000073500000000, 0.0000000000000000, 0.0000396800000000 ] - [ -0.0002947500000000, 0.0000000000000000, 0.0000503900000000 ] - [ -0.0001318200000000, 0.0000000000000000, 0.0007155400000000 ] - [ 0.0019103000000000, 0.0000000000000000, 0.0005804300000000 ] - [ 0.0001470300000000, 0.0000000000000000, -0.0005527900000000 ] - [ -0.0015663300000000, 0.0000000000000000, 0.0006260300000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0133551100000000, -0.0198019700000000, 0.0032919600000000 ] - [ -0.0067670200000000, -0.0027834200000000, 0.0017800300000000 ] - [ -0.0068448500000000, -0.0026856900000000, 0.0048535400000000 ] - [ 0.2382754500000000, 0.0761969700000000, 0.0035091500000000 ] - [ 0.0129722000000000, 0.0018227400000000, -0.0113910900000000 ] - [ 0.0132461100000000, 0.0020169900000000, 0.0115510200000000 ] - [ 0.0186833000000000, -0.0002425100000000, 0.0004099700000000 ] - [ 0.0071603400000000, -0.0001465200000000, -0.0003853800000000 ] - [ 0.0073346600000000, -0.0001754200000000, 0.0003951000000000 ] - [ -0.0027609100000000, -0.0017559500000000, 0.0006227600000000 ] - [ -0.0028025000000000, -0.0017720100000000, -0.0005024900000000 ] - [ -0.0027663600000000, -0.0008949800000000, 0.0000228700000000 ] - [ -0.0130215900000000, -0.0021288200000000, 0.0112455200000000 ] - [ -0.0129238200000000, -0.0019062700000000, -0.0112826500000000 ] - [ -0.0058230400000000, -0.0002291400000000, 0.0000312200000000 ] - [ 0.0069856500000000, 0.0029949300000000, 0.0044990400000000 ] - [ 0.0069960400000000, 0.0030118900000000, 0.0029759100000000 ] - [ 0.0099125000000000, 0.0013321700000000, 0.0036987100000000 ] - [ -0.0198463500000000, -0.0023194500000000, -0.0046355300000000 ] - [ -0.0170982800000000, -0.0010114000000000, -0.0041592700000000 ] - [ -0.0197543800000000, -0.0022699900000000, -0.0037967400000000 ] - [ -0.0026834000000000, 0.0002438400000000, 0.0016672100000000 ] - [ -0.0004821700000000, 0.0000274500000000, -0.0000532800000000 ] - [ -0.0027044800000000, 0.0002921700000000, -0.0017459700000000 ] - [ -0.0020732000000000, -0.0003408700000000, 0.0011467700000000 ] - [ -0.0004327700000000, -0.0000210500000000, -0.0000508100000000 ] - [ -0.0020443500000000, -0.0003798600000000, -0.0012283300000000 ] - [ -0.0065474300000000, -0.0146597300000000, 0.0002555500000000 ] - [ -0.0028776300000000, -0.0032240900000000, 0.0019305400000000 ] - [ -0.0028948100000000, -0.0029698300000000, -0.0019738900000000 ] - [ -0.0089488100000000, 0.0183246000000000, 0.0002390700000000 ] - [ -0.0026400100000000, 0.0025574700000000, 0.0025655200000000 ] - [ -0.0026999600000000, 0.0023556000000000, -0.0026573000000000 ] - [ 0.0154732600000000, -0.0223583800000000, 0.0033572800000000 ] - [ 0.0166511600000000, 0.0001356400000000, 0.0110529800000000 ] - [ 0.0180177600000000, 0.0009028500000000, -0.0201534300000000 ] - [ 0.0091465100000000, 0.0007948100000000, -0.0063616900000000 ] - [ 0.0089625000000000, 0.0008745000000000, -0.0010765800000000 ] - [ 0.0101126500000000, 0.0003521800000000, -0.0037857400000000 ] - [ -0.3096352100000000, -0.1384972100000000, -0.0070886700000000 ] - [ -0.0097883000000000, -0.0058191600000000, -0.0007246600000000 ] - [ -0.0097804300000000, -0.0058385400000000, 0.0012353800000000 ] - [ -0.0212894300000000, 0.0171173300000000, -0.0006893500000000 ] - [ -0.0056650600000000, 0.0032665400000000, -0.0003192900000000 ] - [ -0.0056597800000000, 0.0032500100000000, 0.0008788200000000 ] - [ 0.0018576300000000, 0.0076195100000000, -0.0004439300000000 ] - [ -0.0006614300000000, -0.0001258100000000, 0.0000002000000000 ] - [ -0.0006875500000000, -0.0001466200000000, -0.0002637000000000 ] - [ -0.0258877100000000, 0.0482951500000000, 0.0013814100000000 ] - [ -0.0038550400000000, 0.0047930900000000, 0.0008696800000000 ] - [ -0.0038903100000000, 0.0047649600000000, -0.0008509200000000 ] - [ -0.0041617200000000, 0.0002828300000000, -0.0001526700000000 ] - [ -0.0040934900000000, 0.0002451000000000, 0.0000648200000000 ] - [ -0.0036485700000000, 0.0006225400000000, 0.0000499600000000 ] - [ 0.0011474700000000, 0.0007304800000000, -0.0302233200000000 ] - [ 0.0006251400000000, 0.0005305000000000, 0.0296137800000000 ] - [ -0.0016602300000000, -0.0007816900000000, -0.0000211400000000 ] - [ 0.0019359400000000, 0.0002384100000000, -0.0000598700000000 ] - [ 0.0022583000000000, -0.0001647000000000, 0.0004701400000000 ] - [ 0.0022324900000000, -0.0001624500000000, -0.0005184100000000 ] - [ 0.0261666700000000, 0.0120908600000000, 0.0001272800000000 ] - [ 0.0027823200000000, 0.0010428100000000, 0.0039144900000000 ] - [ 0.0027674000000000, 0.0010563300000000, -0.0039653300000000 ] - [ 0.0042988900000000, -0.0051265100000000, -0.0007507000000000 ] - [ 0.0043103400000000, -0.0052066500000000, 0.0007206700000000 ] - [ 0.0019132600000000, -0.0027008700000000, -0.0000834100000000 ] - [ 0.0005286900000000, 0.0004161600000000, -0.0003519400000000 ] - [ 0.0005418300000000, 0.0004467300000000, 0.0000165600000000 ] - [ 0.0003872700000000, 0.0006586300000000, -0.0001516100000000 ] - [ 0.0019884100000000, -0.0012781600000000, 0.0002024700000000 ] - [ 0.0017206300000000, -0.0014395300000000, 0.0001727200000000 ] - [ 0.0019881900000000, -0.0012811800000000, 0.0001166800000000 ] - [ 0.0071907500000000, 0.0043891600000000, 0.0008058900000000 ] - [ 0.0034994700000000, 0.0025649400000000, 0.0001362000000000 ] - [ 0.0071904700000000, 0.0043922800000000, -0.0006299300000000 ] - [ -0.0102331100000000, -0.0003757900000000, -0.0040878000000000 ] - [ -0.0105104100000000, -0.0002780700000000, -0.0033247700000000 ] - [ -0.0105515300000000, -0.0002552900000000, -0.0047108600000000 ] - [ 0.0124778800000000, 0.0005105900000000, 0.0043671600000000 ] - [ 0.0121588100000000, 0.0003667600000000, 0.0047297300000000 ] - [ 0.0121546000000000, 0.0003597500000000, 0.0039643900000000 ] - [ 0.0020517900000000, -0.0002565300000000, -0.0002470100000000 ] - [ 0.0020343700000000, -0.0002624700000000, -0.0002950600000000 ] - [ 0.0009153300000000, -0.0006135200000000, -0.0002232300000000 ] - [ 0.0017416500000000, 0.0001600800000000, -0.0002835200000000 ] - [ 0.0017382600000000, 0.0001620700000000, -0.0002874900000000 ] - [ 0.0008894600000000, 0.0004999200000000, -0.0002232900000000 ] - [ 0.0019014000000000, 0.0015378800000000, 0.0002535900000000 ] - [ 0.0011800800000000, 0.0007724100000000, 0.0002543400000000 ] - [ 0.0018757400000000, 0.0015070400000000, 0.0004216200000000 ] - [ 0.0019428600000000, -0.0012065400000000, 0.0001446600000000 ] - [ 0.0011187400000000, -0.0005438000000000, 0.0002383400000000 ] - [ 0.0019279500000000, -0.0012008800000000, 0.0003979200000000 ] - [ 0.0007872500000000, -0.0006114900000000, 0.0000470300000000 ] - [ -0.0018815700000000, -0.0005392800000000, -0.0005046000000000 ] - [ -0.0018831200000000, -0.0005428000000000, 0.0006145200000000 ] - [ -0.0002952000000000, 0.0006850400000000, 0.0000601000000000 ] - [ -0.0018526700000000, 0.0005507000000000, -0.0003909900000000 ] - [ -0.0018638000000000, 0.0005540100000000, 0.0004926600000000 ] - [ 0.0047540600000000, -0.0007954000000000, -0.0031109700000000 ] - [ 0.0042136600000000, -0.0008901800000000, -0.0000335000000000 ] - [ 0.0047816000000000, -0.0007781500000000, 0.0031429500000000 ] - [ 0.0049016400000000, 0.0006856400000000, -0.0037819200000000 ] - [ 0.0041526500000000, 0.0009304300000000, 0.0000166100000000 ] - [ 0.0049025300000000, 0.0006466200000000, 0.0038706000000000 ] - [ 0.0245073300000000, -0.0177894400000000, -0.0006014500000000 ] - [ 0.0014792800000000, -0.0031764000000000, -0.0005703200000000 ] - [ 0.0012090300000000, -0.0027901300000000, 0.0012546400000000 ] - [ 0.0228533100000000, 0.0340849600000000, -0.0037722800000000 ] - [ 0.0022243300000000, 0.0040761000000000, -0.0007197000000000 ] - [ 0.0018872400000000, 0.0035534000000000, 0.0017456600000000 ] - [ -0.0080910500000000, 0.0044135200000000, -0.0007683700000000 ] - [ -0.0019229300000000, 0.0003353200000000, -0.0001911100000000 ] - [ -0.0017597900000000, 0.0002609500000000, -0.0002268000000000 ] - [ -0.0079454300000000, -0.0032380100000000, -0.0004919400000000 ] - [ -0.0016892200000000, -0.0000477500000000, -0.0003865400000000 ] - [ -0.0015587800000000, -0.0000078700000000, -0.0000328900000000 ] - [ -0.0055485800000000, 0.0088404700000000, -0.0222154900000000 ] - [ -0.0129490700000000, 0.0004769500000000, 0.0046099900000000 ] - [ -0.0063483200000000, 0.0083394100000000, 0.0313254400000000 ] - [ 0.0121067100000000, -0.0204076900000000, -0.0000251700000000 ] - [ -0.0008741000000000, -0.0020537500000000, 0.0004175900000000 ] - [ -0.0008840900000000, -0.0020913100000000, -0.0009859800000000 ] - [ 0.0006475200000000, 0.0021406900000000, -0.0009463200000000 ] - [ 0.0006713700000000, 0.0021388600000000, 0.0003975900000000 ] - [ 0.0002879500000000, 0.0008839800000000, -0.0002731400000000 ] - [ 0.0008355300000000, 0.0000502300000000, 0.0000008800000000 ] - [ 0.0003429800000000, -0.0000074200000000, 0.0002655900000000 ] - [ 0.0008642000000000, 0.0000521300000000, 0.0005245300000000 ] - [ 0.0008574900000000, 0.0007015400000000, 0.0002470400000000 ] - [ 0.0002259800000000, 0.0000466600000000, 0.0000151500000000 ] - [ 0.0002258600000000, 0.0000311100000000, 0.0005422800000000 ]- atom: 40 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0403626900000000, 0.0200016200000000, 0.0046169800000000 ] - [ -0.0199665300000000, 0.0028093200000000, 0.0061619200000000 ] - [ -0.0198900400000000, 0.0027154900000000, 0.0030211500000000 ] - [ -0.2184204500000000, -0.0691452000000000, -0.0031436100000000 ] - [ -0.0072620300000000, -0.0020411900000000, 0.0115727200000000 ] - [ -0.0075466500000000, -0.0022432500000000, -0.0115659300000000 ] - [ -0.0129618000000000, 0.0003687100000000, -0.0003281000000000 ] - [ -0.0014897700000000, 0.0003688900000000, 0.0005006700000000 ] - [ -0.0016747200000000, 0.0004025500000000, -0.0003404500000000 ] - [ -0.0029026400000000, 0.0015242200000000, -0.0005503300000000 ] - [ -0.0028595200000000, 0.0015404500000000, 0.0005991700000000 ] - [ -0.0029128400000000, 0.0006644900000000, 0.0000622900000000 ] - [ 0.0073950800000000, 0.0023796400000000, -0.0111505600000000 ] - [ 0.0072942200000000, 0.0021555700000000, 0.0113534400000000 ] - [ 0.0001543500000000, 0.0004641700000000, 0.0000531300000000 ] - [ 0.0197336600000000, -0.0029986700000000, 0.0034074800000000 ] - [ 0.0197211100000000, -0.0030158200000000, 0.0049318200000000 ] - [ 0.0167875700000000, -0.0013363700000000, 0.0042095300000000 ] - [ -0.0067752900000000, 0.0023199600000000, -0.0032696800000000 ] - [ -0.0095398900000000, 0.0010142900000000, -0.0037446900000000 ] - [ -0.0068676800000000, 0.0022700400000000, -0.0041052400000000 ] - [ 0.0084208600000000, -0.0004814600000000, -0.0017813300000000 ] - [ 0.0061987600000000, -0.0002623800000000, -0.0000294000000000 ] - [ 0.0084432100000000, -0.0005307100000000, 0.0016908500000000 ] - [ 0.0078068100000000, 0.0005790200000000, -0.0012481700000000 ] - [ 0.0061519500000000, 0.0002550800000000, -0.0000327300000000 ] - [ 0.0077807100000000, 0.0006189200000000, 0.0011593200000000 ] - [ 0.0008770500000000, 0.0146096300000000, -0.0003500600000000 ] - [ -0.0028398400000000, 0.0030133900000000, -0.0020338600000000 ] - [ -0.0028122200000000, 0.0027741700000000, 0.0019138900000000 ] - [ 0.0032142300000000, -0.0184152800000000, -0.0003306100000000 ] - [ -0.0030891200000000, -0.0023402800000000, -0.0026767200000000 ] - [ -0.0030228900000000, -0.0021466700000000, 0.0026019700000000 ] - [ 0.0098246700000000, 0.0211328900000000, -0.0113596700000000 ] - [ 0.0099475600000000, -0.0001389000000000, -0.0190006500000000 ] - [ 0.0085834600000000, -0.0009118600000000, 0.0124557900000000 ] - [ 0.0135316800000000, -0.0008078400000000, -0.0019864700000000 ] - [ 0.0137182200000000, -0.0008868800000000, -0.0073378800000000 ] - [ 0.0125544000000000, -0.0003547000000000, -0.0045984000000000 ] - [ 0.2954086600000000, 0.1302415200000000, 0.0073711700000000 ] - [ 0.0075531400000000, 0.0030611300000000, 0.0010895900000000 ] - [ 0.0075603300000000, 0.0030912700000000, -0.0008303400000000 ] - [ 0.0191509400000000, -0.0142897400000000, 0.0010837900000000 ] - [ 0.0034324600000000, -0.0004995400000000, 0.0007043400000000 ] - [ 0.0034369400000000, -0.0004888400000000, -0.0004923300000000 ] - [ -0.0023418300000000, -0.0090283200000000, 0.0000629300000000 ] - [ 0.0001861100000000, -0.0012606800000000, -0.0003840900000000 ] - [ 0.0002104800000000, -0.0012429100000000, -0.0001121400000000 ] - [ 0.0251748900000000, -0.0471756600000000, -0.0017821200000000 ] - [ 0.0033916700000000, -0.0034289900000000, -0.0012619700000000 ] - [ 0.0034255900000000, -0.0033986100000000, 0.0004839500000000 ] - [ -0.0016986200000000, 0.0011429100000000, 0.0001219900000000 ] - [ -0.0017673900000000, 0.0011815500000000, -0.0001606500000000 ] - [ -0.0022075800000000, 0.0007935500000000, -0.0001168500000000 ] - [ -0.0070726900000000, -0.0021830800000000, 0.0301090400000000 ] - [ -0.0065476600000000, -0.0019857200000000, -0.0296261400000000 ] - [ -0.0042053900000000, -0.0006359100000000, -0.0000447900000000 ] - [ 0.0039036800000000, -0.0016482400000000, -0.0000039700000000 ] - [ 0.0035911600000000, -0.0012482300000000, -0.0005407000000000 ] - [ 0.0036186300000000, -0.0012509700000000, 0.0004627000000000 ] - [ -0.0200997700000000, -0.0105750100000000, -0.0001933900000000 ] - [ 0.0030563900000000, 0.0003648400000000, -0.0039878400000000 ] - [ 0.0030724400000000, 0.0003517400000000, 0.0039096300000000 ] - [ -0.0038421000000000, 0.0037520500000000, 0.0003707500000000 ] - [ -0.0038532200000000, 0.0038319900000000, -0.0011034300000000 ] - [ -0.0014452800000000, 0.0013233700000000, -0.0002966400000000 ] - [ -0.0000626700000000, 0.0009617400000000, -0.0000268200000000 ] - [ -0.0000751400000000, 0.0009319100000000, -0.0003988400000000 ] - [ 0.0000852600000000, 0.0007227400000000, -0.0002276200000000 ] - [ 0.0002591700000000, -0.0014945000000000, 0.0001863400000000 ] - [ 0.0005363100000000, -0.0013367900000000, 0.0002170100000000 ] - [ 0.0002589900000000, -0.0014909800000000, 0.0002723200000000 ] - [ -0.0049457900000000, -0.0016180200000000, -0.0004164100000000 ] - [ -0.0012455100000000, 0.0002097100000000, 0.0002530100000000 ] - [ -0.0049455000000000, -0.0016219800000000, 0.0010176200000000 ] - [ -0.0124305000000000, 0.0003764000000000, -0.0042945900000000 ] - [ -0.0121515700000000, 0.0002787600000000, -0.0050571200000000 ] - [ -0.0121106300000000, 0.0002557300000000, -0.0036704800000000 ] - [ 0.0101679700000000, -0.0005104700000000, 0.0040122000000000 ] - [ 0.0104886800000000, -0.0003668300000000, 0.0036523000000000 ] - [ 0.0104928600000000, -0.0003594500000000, 0.0044129100000000 ] - [ -0.0043504000000000, -0.0025351700000000, -0.0001417100000000 ] - [ -0.0043316600000000, -0.0025292100000000, -0.0000920100000000 ] - [ -0.0032019200000000, -0.0021732900000000, -0.0001634700000000 ] - [ -0.0040352400000000, 0.0026299400000000, -0.0001054300000000 ] - [ -0.0040309600000000, 0.0026276200000000, -0.0001006700000000 ] - [ -0.0031748200000000, 0.0022868600000000, -0.0001635400000000 ] - [ -0.0023983500000000, -0.0029402600000000, 0.0001266700000000 ] - [ -0.0016717300000000, -0.0021699500000000, 0.0001252900000000 ] - [ -0.0023723400000000, -0.0029097200000000, -0.0000446700000000 ] - [ -0.0024415500000000, 0.0026127700000000, 0.0002367600000000 ] - [ -0.0016094800000000, 0.0019413900000000, 0.0001420400000000 ] - [ -0.0024273200000000, 0.0026076400000000, -0.0000214300000000 ] - [ -0.0066889500000000, -0.0007977700000000, 0.0000169000000000 ] - [ -0.0039737500000000, -0.0008722000000000, 0.0005791900000000 ] - [ -0.0039733300000000, -0.0008694000000000, -0.0005598600000000 ] - [ -0.0055855300000000, 0.0007258400000000, 0.0000036000000000 ] - [ -0.0040051700000000, 0.0008622700000000, 0.0004607900000000 ] - [ -0.0039963500000000, 0.0008587700000000, -0.0004360500000000 ] - [ 0.0010853700000000, -0.0006171800000000, 0.0032145000000000 ] - [ 0.0016295000000000, -0.0005213800000000, 0.0000921000000000 ] - [ 0.0010565900000000, -0.0006355100000000, -0.0031124500000000 ] - [ 0.0009427000000000, 0.0007294600000000, 0.0038960700000000 ] - [ 0.0016937700000000, 0.0004813100000000, 0.0000436300000000 ] - [ 0.0009410200000000, 0.0007704200000000, -0.0038564500000000 ] - [ -0.0245674400000000, 0.0167785900000000, 0.0009976200000000 ] - [ -0.0009989000000000, 0.0017992800000000, 0.0009521300000000 ] - [ -0.0007347200000000, 0.0014231600000000, -0.0008834600000000 ] - [ -0.0227395000000000, -0.0331263900000000, 0.0041976000000000 ] - [ -0.0017503100000000, -0.0027033900000000, 0.0011006600000000 ] - [ -0.0014258600000000, -0.0022012000000000, -0.0013840900000000 ] - [ 0.0104808900000000, -0.0072608400000000, 0.0003834900000000 ] - [ 0.0042307500000000, -0.0031356500000000, -0.0001968300000000 ] - [ 0.0040707300000000, -0.0030635400000000, -0.0001591200000000 ] - [ 0.0104228500000000, 0.0060803000000000, 0.0001068600000000 ] - [ 0.0039976800000000, 0.0028442500000000, -0.0000040100000000 ] - [ 0.0038694100000000, 0.0028058700000000, -0.0003513900000000 ] - [ -0.0170834100000000, -0.0089360600000000, 0.0309051400000000 ] - [ -0.0096831000000000, -0.0004922900000000, 0.0037328600000000 ] - [ -0.0162817400000000, -0.0084495800000000, -0.0234741500000000 ] - [ -0.0123386700000000, 0.0203010100000000, -0.0005107300000000 ] - [ 0.0005332900000000, 0.0020642900000000, -0.0009651400000000 ] - [ 0.0005441400000000, 0.0021026800000000, 0.0004562400000000 ] - [ -0.0003145700000000, -0.0021425600000000, 0.0004110400000000 ] - [ -0.0003384100000000, -0.0021419500000000, -0.0009391700000000 ] - [ 0.0000513200000000, -0.0008855400000000, -0.0002643200000000 ] - [ -0.0011868100000000, -0.0000527100000000, 0.0005406000000000 ] - [ -0.0006897000000000, 0.0000072200000000, 0.0002732400000000 ] - [ -0.0012163800000000, -0.0000550800000000, 0.0000099800000000 ] - [ -0.0005226700000000, -0.0006995500000000, 0.0002917100000000 ] - [ 0.0001172800000000, -0.0000485200000000, 0.0005277500000000 ] - [ 0.0001169300000000, -0.0000335500000000, -0.0000062200000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027191400000000, -0.0214600600000000, 0.0034862500000000 ] - [ -0.0106477000000000, -0.0023342300000000, 0.0017231200000000 ] - [ -0.0107720900000000, -0.0023702900000000, 0.0056414300000000 ] - [ 0.0885889800000000, 0.0435787900000000, 0.0013135800000000 ] - [ 0.0071179000000000, 0.0018308100000000, -0.0058289300000000 ] - [ 0.0071946400000000, 0.0019904100000000, 0.0059689900000000 ] - [ 0.0151511200000000, -0.0148843800000000, 0.0004255600000000 ] - [ 0.0044147400000000, -0.0006123900000000, 0.0012810800000000 ] - [ 0.0045124600000000, -0.0006453500000000, -0.0012312000000000 ] - [ -0.0018748700000000, -0.0016774400000000, -0.0003069900000000 ] - [ -0.0018989500000000, -0.0016741100000000, 0.0004013900000000 ] - [ -0.0025049800000000, -0.0006274300000000, 0.0000300700000000 ] - [ -0.0083238900000000, -0.0007028500000000, 0.0056103400000000 ] - [ -0.0082862700000000, -0.0005797600000000, -0.0055963800000000 ] - [ -0.0044751100000000, -0.0000976900000000, 0.0000335200000000 ] - [ 0.0109701200000000, 0.0019582400000000, 0.0040196100000000 ] - [ 0.0109531700000000, 0.0019603400000000, 0.0036862200000000 ] - [ 0.0119214100000000, 0.0008989900000000, 0.0038443600000000 ] - [ -0.0160207000000000, -0.0015491400000000, -0.0042732000000000 ] - [ -0.0149100500000000, -0.0007191000000000, -0.0040393200000000 ] - [ -0.0159791400000000, -0.0015224700000000, -0.0038533200000000 ] - [ 0.0009225200000000, 0.0002211300000000, 0.0003600800000000 ] - [ 0.0015591800000000, 0.0000219400000000, -0.0000467300000000 ] - [ 0.0009131500000000, 0.0002442400000000, -0.0004427800000000 ] - [ 0.0005646900000000, -0.0000351300000000, 0.0004931300000000 ] - [ 0.0013492900000000, 0.0000694800000000, -0.0000493000000000 ] - [ 0.0005644000000000, -0.0000540200000000, -0.0005751400000000 ] - [ -0.0049457600000000, -0.0092133400000000, 0.0000691100000000 ] - [ -0.0028040200000000, -0.0021406000000000, 0.0010056300000000 ] - [ -0.0027944700000000, -0.0019861000000000, -0.0010961300000000 ] - [ -0.0029185700000000, 0.0066782700000000, 0.0000727700000000 ] - [ -0.0025864500000000, 0.0015745100000000, 0.0004516800000000 ] - [ -0.0026052400000000, 0.0015002700000000, -0.0005225400000000 ] - [ 0.0226779200000000, 0.0056172200000000, 0.0016730400000000 ] - [ 0.0142919200000000, 0.0011043200000000, 0.0046242800000000 ] - [ 0.0151507100000000, 0.0014693700000000, -0.0130145400000000 ] - [ 0.0102714500000000, 0.0010600900000000, -0.0065834600000000 ] - [ 0.0101185800000000, 0.0010583400000000, -0.0013563500000000 ] - [ 0.0107466700000000, 0.0003128900000000, -0.0039933000000000 ] - [ -0.1360005200000000, -0.1278920100000000, -0.0043190400000000 ] - [ -0.0055841900000000, -0.0041142200000000, -0.0001548100000000 ] - [ -0.0055559500000000, -0.0041117800000000, 0.0005954100000000 ] - [ -0.0167277700000000, 0.0297681400000000, -0.0005131200000000 ] - [ -0.0030007100000000, 0.0021651700000000, -0.0001873700000000 ] - [ -0.0030129500000000, 0.0021639700000000, 0.0006952200000000 ] - [ 0.0051918000000000, 0.0133746600000000, -0.0007248900000000 ] - [ 0.0002208900000000, 0.0006213800000000, -0.0001677300000000 ] - [ 0.0002336500000000, 0.0006499600000000, -0.0001874600000000 ] - [ -0.0033306200000000, 0.0456071400000000, 0.0014276400000000 ] - [ -0.0017774100000000, 0.0025005400000000, 0.0004828600000000 ] - [ -0.0017463700000000, 0.0024444000000000, -0.0006607200000000 ] - [ -0.0038034600000000, 0.0012266500000000, 0.0019789800000000 ] - [ -0.0037319200000000, 0.0012210300000000, -0.0020921800000000 ] - [ -0.0034410900000000, 0.0007487600000000, 0.0000044200000000 ] - [ -0.0005309100000000, -0.0016118000000000, -0.0158505800000000 ] - [ -0.0008194500000000, -0.0015436500000000, 0.0155922500000000 ] - [ -0.0020590500000000, -0.0007340700000000, -0.0000368200000000 ] - [ 0.0017464600000000, 0.0006655200000000, -0.0000594900000000 ] - [ 0.0025233800000000, -0.0003273000000000, -0.0000928600000000 ] - [ 0.0025156100000000, -0.0003263800000000, 0.0000408800000000 ] - [ 0.0143285100000000, 0.0077135400000000, 0.0000492500000000 ] - [ 0.0029844600000000, 0.0009452200000000, 0.0018559300000000 ] - [ 0.0029806000000000, 0.0009544300000000, -0.0019007300000000 ] - [ 0.0023787300000000, -0.0031937200000000, -0.0003745800000000 ] - [ 0.0023680700000000, -0.0032191100000000, 0.0001797700000000 ] - [ 0.0011129400000000, -0.0017798100000000, -0.0001366000000000 ] - [ -0.0000401800000000, 0.0003269400000000, -0.0001741700000000 ] - [ -0.0000332200000000, 0.0003264200000000, -0.0002172100000000 ] - [ 0.0001528900000000, 0.0004957700000000, -0.0001806500000000 ] - [ 0.0010323100000000, -0.0010383500000000, 0.0001883300000000 ] - [ 0.0011872000000000, -0.0012822200000000, 0.0001895400000000 ] - [ 0.0010284300000000, -0.0010379100000000, 0.0001897600000000 ] - [ 0.0041247300000000, 0.0028062900000000, 0.0005158300000000 ] - [ 0.0023070600000000, 0.0019927500000000, 0.0001664000000000 ] - [ 0.0041213100000000, 0.0028059600000000, -0.0002190500000000 ] - [ -0.0109487300000000, -0.0002506200000000, -0.0041362200000000 ] - [ -0.0110065000000000, -0.0001888500000000, -0.0038710800000000 ] - [ -0.0110209800000000, -0.0001766000000000, -0.0043647900000000 ] - [ 0.0118010400000000, 0.0003302500000000, 0.0042659200000000 ] - [ 0.0116738800000000, 0.0002339600000000, 0.0044400200000000 ] - [ 0.0116707300000000, 0.0002310000000000, 0.0040725700000000 ] - [ -0.0000048200000000, -0.0010589800000000, -0.0002197500000000 ] - [ -0.0000102000000000, -0.0010591100000000, -0.0002205800000000 ] - [ -0.0003597600000000, -0.0011317400000000, -0.0002046100000000 ] - [ 0.0000932900000000, 0.0008308900000000, -0.0002282600000000 ] - [ 0.0000914900000000, 0.0008314400000000, -0.0002409400000000 ] - [ -0.0002454300000000, 0.0009797000000000, -0.0002070800000000 ] - [ 0.0007623700000000, 0.0004001800000000, 0.0002279400000000 ] - [ 0.0004241300000000, 0.0000271800000000, 0.0002218200000000 ] - [ 0.0007529400000000, 0.0003872200000000, 0.0002948400000000 ] - [ 0.0005292800000000, 0.0000843300000000, 0.0001867100000000 ] - [ 0.0002740700000000, 0.0002606100000000, 0.0002059300000000 ] - [ 0.0005233400000000, 0.0000887000000000, 0.0002387700000000 ] - [ -0.0019747100000000, -0.0008258100000000, 0.0000343700000000 ] - [ -0.0025328100000000, -0.0006922100000000, -0.0000716000000000 ] - [ -0.0025373700000000, -0.0006960900000000, 0.0001564600000000 ] - [ -0.0017502300000000, 0.0006929600000000, 0.0000349100000000 ] - [ -0.0024157100000000, 0.0006311300000000, -0.0001787700000000 ] - [ -0.0024221500000000, 0.0006322000000000, 0.0002644500000000 ] - [ 0.0038776100000000, -0.0006710600000000, -0.0016719000000000 ] - [ 0.0035614300000000, -0.0007458800000000, -0.0000018800000000 ] - [ 0.0038939300000000, -0.0006476400000000, 0.0017673200000000 ] - [ 0.0034979300000000, 0.0006671800000000, -0.0007814700000000 ] - [ 0.0033630700000000, 0.0007613500000000, 0.0000221000000000 ] - [ 0.0035114700000000, 0.0006588700000000, 0.0008421400000000 ] - [ 0.0076545700000000, -0.0107867500000000, -0.0004513700000000 ] - [ 0.0012071100000000, -0.0026353400000000, -0.0001206800000000 ] - [ 0.0010828200000000, -0.0024526300000000, 0.0006298800000000 ] - [ 0.0130698500000000, 0.0225222800000000, -0.0022824500000000 ] - [ 0.0014026500000000, 0.0026728200000000, -0.0003426000000000 ] - [ 0.0012020200000000, 0.0023550400000000, 0.0010657200000000 ] - [ -0.0047008000000000, 0.0026326100000000, -0.0005268200000000 ] - [ -0.0005958400000000, -0.0003173300000000, -0.0001266000000000 ] - [ -0.0005208600000000, -0.0003491500000000, -0.0002518800000000 ] - [ -0.0035046700000000, -0.0009345500000000, -0.0003495800000000 ] - [ -0.0003064000000000, 0.0007727300000000, -0.0001001700000000 ] - [ -0.0002661200000000, 0.0007946800000000, -0.0002893000000000 ] - [ -0.0052438500000000, 0.0035818600000000, -0.0123456200000000 ] - [ -0.0120522700000000, 0.0000643800000000, 0.0043538500000000 ] - [ -0.0059114100000000, 0.0030449600000000, 0.0210449500000000 ] - [ -0.0070663300000000, -0.0012923300000000, -0.0003472600000000 ] - [ -0.0004386600000000, -0.0013276000000000, -0.0001046000000000 ] - [ -0.0004437600000000, -0.0013452200000000, -0.0004349100000000 ] - [ 0.0004864200000000, 0.0013201100000000, -0.0006335500000000 ] - [ 0.0005063100000000, 0.0013210200000000, 0.0000906600000000 ] - [ 0.0002365900000000, 0.0005524700000000, -0.0002702800000000 ] - [ 0.0002720500000000, -0.0001093600000000, 0.0001711300000000 ] - [ 0.0000625200000000, -0.0000697700000000, 0.0002680400000000 ] - [ 0.0002901400000000, -0.0001110000000000, 0.0003624300000000 ] - [ 0.0004689000000000, 0.0015039900000000, 0.0002499900000000 ] - [ 0.0001851900000000, 0.0002174800000000, 0.0001821600000000 ] - [ 0.0001820600000000, 0.0002139600000000, 0.0003735000000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0293965500000000, 0.0215232600000000, 0.0044106800000000 ] - [ -0.0160518800000000, 0.0023626800000000, 0.0061619900000000 ] - [ -0.0159300800000000, 0.0023999700000000, 0.0022761800000000 ] - [ -0.0805779300000000, -0.0440569000000000, -0.0011953400000000 ] - [ -0.0014517000000000, -0.0020589100000000, 0.0059907800000000 ] - [ -0.0015361300000000, -0.0022235300000000, -0.0059634000000000 ] - [ -0.0096107400000000, 0.0151068900000000, -0.0003438200000000 ] - [ 0.0012686900000000, 0.0008332800000000, -0.0012131200000000 ] - [ 0.0011654000000000, 0.0008682500000000, 0.0013323800000000 ] - [ -0.0038376100000000, 0.0014557700000000, 0.0004053100000000 ] - [ -0.0038128300000000, 0.0014511200000000, -0.0003295900000000 ] - [ -0.0031935200000000, 0.0003994300000000, 0.0000539900000000 ] - [ 0.0026921500000000, 0.0009553000000000, -0.0056026300000000 ] - [ 0.0026510600000000, 0.0008315900000000, 0.0057576200000000 ] - [ -0.0011974500000000, 0.0003344300000000, 0.0000497200000000 ] - [ 0.0157270400000000, -0.0019813500000000, 0.0038808600000000 ] - [ 0.0157435000000000, -0.0019842400000000, 0.0042191500000000 ] - [ 0.0147611400000000, -0.0009092000000000, 0.0040604800000000 ] - [ -0.0106141100000000, 0.0015681200000000, -0.0036254400000000 ] - [ -0.0117399100000000, 0.0007270900000000, -0.0038631000000000 ] - [ -0.0106567900000000, 0.0015404600000000, -0.0040511400000000 ] - [ 0.0047976300000000, -0.0004561000000000, -0.0004562800000000 ] - [ 0.0041507800000000, -0.0002555900000000, -0.0000364400000000 ] - [ 0.0048062400000000, -0.0004795800000000, 0.0003705700000000 ] - [ 0.0051521400000000, 0.0002706500000000, -0.0005827100000000 ] - [ 0.0043612000000000, 0.0001641500000000, -0.0000359400000000 ] - [ 0.0051533300000000, 0.0002899600000000, 0.0004964900000000 ] - [ -0.0006985700000000, 0.0090058800000000, -0.0001543800000000 ] - [ -0.0028898900000000, 0.0019129400000000, -0.0010971900000000 ] - [ -0.0028942000000000, 0.0017653900000000, 0.0010218800000000 ] - [ -0.0027534700000000, -0.0065340900000000, -0.0001593500000000 ] - [ -0.0031127600000000, -0.0013452800000000, -0.0005469400000000 ] - [ -0.0030905000000000, -0.0012750000000000, 0.0004496700000000 ] - [ 0.0028462400000000, -0.0060289300000000, -0.0096382100000000 ] - [ 0.0123522100000000, -0.0011191500000000, -0.0125544600000000 ] - [ 0.0114912400000000, -0.0014854100000000, 0.0052036300000000 ] - [ 0.0123897000000000, -0.0010692100000000, -0.0018203700000000 ] - [ 0.0125429700000000, -0.0010687600000000, -0.0069949400000000 ] - [ 0.0119115600000000, -0.0003155700000000, -0.0043851900000000 ] - [ 0.1325709500000000, 0.1259880400000000, 0.0047378100000000 ] - [ 0.0033453800000000, 0.0013507800000000, 0.0005360200000000 ] - [ 0.0033241500000000, 0.0013535600000000, -0.0002010200000000 ] - [ 0.0146840200000000, -0.0276212600000000, 0.0009142000000000 ] - [ 0.0007386200000000, 0.0006154900000000, 0.0005772200000000 ] - [ 0.0007536100000000, 0.0006140200000000, -0.0003092200000000 ] - [ -0.0056896300000000, -0.0148108700000000, 0.0003443500000000 ] - [ -0.0007017200000000, -0.0020145700000000, -0.0002082600000000 ] - [ -0.0007163300000000, -0.0020447100000000, -0.0001933600000000 ] - [ 0.0030718600000000, -0.0438312400000000, -0.0017953700000000 ] - [ 0.0013234000000000, -0.0011471800000000, -0.0008681700000000 ] - [ 0.0012909000000000, -0.0010895300000000, 0.0002876300000000 ] - [ -0.0020387300000000, 0.0001889200000000, -0.0020781500000000 ] - [ -0.0021113900000000, 0.0001947400000000, 0.0020623800000000 ] - [ -0.0024043600000000, 0.0006642300000000, -0.0000691700000000 ] - [ -0.0053676500000000, 0.0001832800000000, 0.0159044200000000 ] - [ -0.0050762400000000, 0.0001192200000000, -0.0157679500000000 ] - [ -0.0038016800000000, -0.0006777600000000, -0.0000263800000000 ] - [ 0.0041309900000000, -0.0020946000000000, -0.0000040900000000 ] - [ 0.0033329900000000, -0.0010885000000000, 0.0000328800000000 ] - [ 0.0033418500000000, -0.0010897800000000, -0.0001063500000000 ] - [ -0.0086143300000000, -0.0063034900000000, -0.0001150200000000 ] - [ 0.0028664500000000, 0.0004638600000000, -0.0019460300000000 ] - [ 0.0028710800000000, 0.0004548200000000, 0.0018624400000000 ] - [ -0.0019210200000000, 0.0018315400000000, -0.0000022600000000 ] - [ -0.0019115000000000, 0.0018579900000000, -0.0005658700000000 ] - [ -0.0006425900000000, 0.0004021600000000, -0.0002429600000000 ] - [ 0.0005262700000000, 0.0010714800000000, -0.0002060600000000 ] - [ 0.0005197000000000, 0.0010727500000000, -0.0001621300000000 ] - [ 0.0003296500000000, 0.0008967700000000, -0.0001976800000000 ] - [ 0.0012421700000000, -0.0017486300000000, 0.0002005900000000 ] - [ 0.0010844000000000, -0.0015016000000000, 0.0002002300000000 ] - [ 0.0012451000000000, -0.0017482700000000, 0.0001978300000000 ] - [ -0.0018895700000000, -0.0000445400000000, -0.0001334000000000 ] - [ -0.0000482700000000, 0.0007831100000000, 0.0002230900000000 ] - [ -0.0018855800000000, -0.0000448600000000, 0.0006131200000000 ] - [ -0.0117108800000000, 0.0002540800000000, -0.0042450500000000 ] - [ -0.0116520300000000, 0.0001912600000000, -0.0045116900000000 ] - [ -0.0116374200000000, 0.0001786300000000, -0.0040129700000000 ] - [ 0.0108471500000000, -0.0003344500000000, 0.0041126300000000 ] - [ 0.0109760600000000, -0.0002367600000000, 0.0039380900000000 ] - [ 0.0109792000000000, -0.0002335300000000, 0.0043090100000000 ] - [ -0.0022832700000000, -0.0017287100000000, -0.0001690400000000 ] - [ -0.0022771300000000, -0.0017285700000000, -0.0001674300000000 ] - [ -0.0019200800000000, -0.0016527200000000, -0.0001818300000000 ] - [ -0.0023768500000000, 0.0019570400000000, -0.0001609500000000 ] - [ -0.0023747300000000, 0.0019561100000000, -0.0001478000000000 ] - [ -0.0020329900000000, 0.0018049900000000, -0.0001795000000000 ] - [ -0.0012540500000000, -0.0018014100000000, 0.0001511900000000 ] - [ -0.0009121200000000, -0.0014236700000000, 0.0001582500000000 ] - [ -0.0012436000000000, -0.0017874200000000, 0.0000829600000000 ] - [ -0.0010215500000000, 0.0013155400000000, 0.0001936100000000 ] - [ -0.0007613200000000, 0.0011344700000000, 0.0001748900000000 ] - [ -0.0010159200000000, 0.0013107300000000, 0.0001395200000000 ] - [ -0.0038997300000000, -0.0005874800000000, 0.0000290300000000 ] - [ -0.0033229700000000, -0.0007203000000000, 0.0001399400000000 ] - [ -0.0033186900000000, -0.0007174500000000, -0.0000950900000000 ] - [ -0.0041148700000000, 0.0007217800000000, 0.0000283000000000 ] - [ -0.0034409900000000, 0.0007822900000000, 0.0002445100000000 ] - [ -0.0034363000000000, 0.0007811100000000, -0.0002031700000000 ] - [ 0.0019660300000000, -0.0007388000000000, 0.0017501300000000 ] - [ 0.0022840200000000, -0.0006650200000000, 0.0000642700000000 ] - [ 0.0019496200000000, -0.0007635400000000, -0.0017165000000000 ] - [ 0.0023477100000000, 0.0007445400000000, 0.0008633500000000 ] - [ 0.0024833500000000, 0.0006498700000000, 0.0000406100000000 ] - [ 0.0023342500000000, 0.0007541700000000, -0.0007966000000000 ] - [ -0.0072668000000000, 0.0095423800000000, 0.0008401800000000 ] - [ -0.0007269900000000, 0.0012520800000000, 0.0005019800000000 ] - [ -0.0006042800000000, 0.0010733700000000, -0.0002544100000000 ] - [ -0.0126363300000000, -0.0212564500000000, 0.0026674000000000 ] - [ -0.0009233600000000, -0.0012882400000000, 0.0007233800000000 ] - [ -0.0007274100000000, -0.0009800200000000, -0.0006937400000000 ] - [ 0.0069750400000000, -0.0054158300000000, 0.0001360500000000 ] - [ 0.0028757500000000, -0.0024694400000000, -0.0002587800000000 ] - [ 0.0028036700000000, -0.0024392900000000, -0.0001355600000000 ] - [ 0.0058151900000000, 0.0037310800000000, -0.0000406600000000 ] - [ 0.0025865600000000, 0.0020117100000000, -0.0002865000000000 ] - [ 0.0025479700000000, 0.0019911700000000, -0.0000982600000000 ] - [ -0.0174578100000000, -0.0035834500000000, 0.0208790900000000 ] - [ -0.0105952200000000, -0.0000667900000000, 0.0040140300000000 ] - [ -0.0167919900000000, -0.0030501200000000, -0.0129066700000000 ] - [ 0.0067576000000000, 0.0013776200000000, -0.0001935100000000 ] - [ 0.0001005800000000, 0.0013458800000000, -0.0004384700000000 ] - [ 0.0001061100000000, 0.0013644400000000, -0.0000992200000000 ] - [ -0.0001460800000000, -0.0013354700000000, 0.0000973000000000 ] - [ -0.0001653800000000, -0.0013380200000000, -0.0006309300000000 ] - [ 0.0001041700000000, -0.0005584500000000, -0.0002669600000000 ] - [ -0.0006172000000000, 0.0001073400000000, 0.0003679300000000 ] - [ -0.0004059300000000, 0.0000693700000000, 0.0002710600000000 ] - [ -0.0006357800000000, 0.0001083100000000, 0.0001740900000000 ] - [ -0.0001349800000000, -0.0015026200000000, 0.0002880800000000 ] - [ 0.0001547700000000, -0.0002178300000000, 0.0003590100000000 ] - [ 0.0001576700000000, -0.0002147000000000, 0.0001647500000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0124919000000000, -0.0008199400000000, 0.0051126500000000 ] - [ -0.0128726500000000, -0.0006406600000000, 0.0034214900000000 ] - [ -0.0135198200000000, 0.0005880100000000, 0.0031848400000000 ] - [ 0.0046653300000000, 0.0001257000000000, 0.0269200700000000 ] - [ 0.0009104700000000, -0.0011766500000000, -0.0035468700000000 ] - [ 0.0048959000000000, 0.0008398600000000, -0.0033010300000000 ] - [ 0.0034963100000000, -0.0000651300000000, 0.0009897800000000 ] - [ 0.0020635900000000, 0.0009555400000000, -0.0004238900000000 ] - [ 0.0035615000000000, -0.0005793400000000, -0.0004869800000000 ] - [ -0.0027644700000000, -0.0001839700000000, 0.0001900100000000 ] - [ -0.0029760600000000, -0.0001106500000000, 0.0002113000000000 ] - [ -0.0028736000000000, -0.0001313200000000, -0.0002736600000000 ] - [ -0.0014323900000000, 0.0008819200000000, 0.0009060000000000 ] - [ -0.0045736000000000, -0.0006620500000000, 0.0005413600000000 ] - [ -0.0029357600000000, 0.0001127700000000, -0.0007898300000000 ] - [ 0.0134167000000000, -0.0001546000000000, 0.0040596900000000 ] - [ 0.0129344700000000, 0.0002757300000000, 0.0040678800000000 ] - [ 0.0132531000000000, 0.0000267300000000, 0.0037113800000000 ] - [ -0.0136668100000000, -0.0002271100000000, -0.0038476200000000 ] - [ -0.0134115500000000, -0.0000227500000000, -0.0041633800000000 ] - [ -0.0133183500000000, 0.0001292800000000, -0.0038389000000000 ] - [ 0.0027886900000000, -0.0001212000000000, 0.0002207000000000 ] - [ 0.0028252900000000, -0.0001099800000000, -0.0003462100000000 ] - [ 0.0026417600000000, -0.0000739700000000, 0.0000003300000000 ] - [ 0.0027906800000000, 0.0001360300000000, 0.0002668700000000 ] - [ 0.0028400700000000, 0.0001029100000000, -0.0003448000000000 ] - [ 0.0025508000000000, 0.0000966500000000, -0.0000452300000000 ] - [ -0.0031838400000000, -0.0012756200000000, 0.0006392400000000 ] - [ -0.0019078800000000, 0.0011258400000000, -0.0000931000000000 ] - [ -0.0034371200000000, -0.0008892000000000, -0.0006591000000000 ] - [ -0.0031206300000000, 0.0007405300000000, 0.0008720900000000 ] - [ -0.0018735500000000, -0.0006420000000000, -0.0002338700000000 ] - [ -0.0035799700000000, 0.0005686100000000, -0.0006010400000000 ] - [ 0.0150054500000000, 0.0007976800000000, 0.0090134200000000 ] - [ 0.0156575800000000, 0.0016717400000000, -0.0124291700000000 ] - [ 0.0121753100000000, -0.0009065600000000, -0.0114345100000000 ] - [ 0.0112200000000000, -0.0002011200000000, -0.0044516200000000 ] - [ 0.0113906900000000, 0.0003089700000000, -0.0046888600000000 ] - [ 0.0112911700000000, 0.0000118400000000, -0.0033120900000000 ] - [ -0.0077348500000000, -0.0056341600000000, -0.0350342600000000 ] - [ -0.0000879300000000, -0.0009876200000000, 0.0013997900000000 ] - [ -0.0020282600000000, -0.0017311000000000, 0.0013986500000000 ] - [ -0.0020295600000000, 0.0021291900000000, -0.0023134500000000 ] - [ -0.0004429100000000, 0.0008849300000000, 0.0005146500000000 ] - [ -0.0016419500000000, 0.0017696900000000, 0.0005132600000000 ] - [ -0.0001060200000000, -0.0002616500000000, -0.0000768300000000 ] - [ -0.0002318800000000, -0.0007956400000000, -0.0001542300000000 ] - [ -0.0003028600000000, -0.0006725400000000, -0.0001200600000000 ] - [ -0.0006702900000000, 0.0022246600000000, -0.0051170200000000 ] - [ -0.0005970800000000, 0.0015561100000000, 0.0001195600000000 ] - [ -0.0000676900000000, 0.0000995500000000, 0.0000954000000000 ] - [ -0.0030462800000000, 0.0008961500000000, -0.0003147300000000 ] - [ -0.0028454800000000, 0.0004955200000000, -0.0004574600000000 ] - [ -0.0029303100000000, 0.0006993800000000, 0.0006984400000000 ] - [ -0.0099735800000000, -0.0042259300000000, -0.0012699500000000 ] - [ 0.0035855500000000, 0.0025254100000000, -0.0006350700000000 ] - [ -0.0029144600000000, -0.0007112000000000, 0.0018642500000000 ] - [ 0.0028906000000000, -0.0006774700000000, -0.0002917800000000 ] - [ 0.0030822600000000, -0.0007610500000000, 0.0000955600000000 ] - [ 0.0027882900000000, -0.0006485000000000, 0.0001015900000000 ] - [ 0.0034650500000000, 0.0010131700000000, -0.0006073900000000 ] - [ 0.0033752300000000, 0.0008808100000000, 0.0005455000000000 ] - [ 0.0025472800000000, 0.0005851200000000, 0.0004224100000000 ] - [ -0.0000459400000000, -0.0005272400000000, -0.0002439000000000 ] - [ 0.0006831400000000, -0.0010376200000000, -0.0002001300000000 ] - [ 0.0002819800000000, -0.0007463600000000, -0.0001103000000000 ] - [ 0.0002518600000000, 0.0007429600000000, -0.0002073200000000 ] - [ 0.0002647900000000, 0.0006539500000000, -0.0002136800000000 ] - [ 0.0002532500000000, 0.0007059700000000, -0.0001433600000000 ] - [ 0.0012133700000000, -0.0013961500000000, 0.0001790400000000 ] - [ 0.0011582500000000, -0.0013970500000000, 0.0002212000000000 ] - [ 0.0011272200000000, -0.0013977800000000, 0.0001793000000000 ] - [ 0.0019576300000000, 0.0018070200000000, 0.0001277500000000 ] - [ 0.0011945300000000, 0.0014201400000000, 0.0002429700000000 ] - [ 0.0005233700000000, 0.0010659200000000, 0.0001323600000000 ] - [ -0.0113041200000000, -0.0000072900000000, -0.0044460700000000 ] - [ -0.0112945300000000, -0.0000162900000000, -0.0040639100000000 ] - [ -0.0113177500000000, 0.0000035000000000, -0.0040478300000000 ] - [ 0.0113516600000000, 0.0000098000000000, 0.0039580900000000 ] - [ 0.0113653900000000, 0.0000188900000000, 0.0043023000000000 ] - [ 0.0113339800000000, -0.0000025200000000, 0.0043290900000000 ] - [ -0.0010848100000000, -0.0013668300000000, -0.0001999600000000 ] - [ -0.0010358600000000, -0.0013657000000000, -0.0002172900000000 ] - [ -0.0011066100000000, -0.0013801300000000, -0.0001671600000000 ] - [ -0.0010464200000000, 0.0013578900000000, -0.0001987000000000 ] - [ -0.0010421100000000, 0.0013448700000000, -0.0002236300000000 ] - [ -0.0011057300000000, 0.0013773400000000, -0.0001666700000000 ] - [ -0.0001481900000000, -0.0005825700000000, 0.0001751600000000 ] - [ -0.0002216300000000, -0.0006670800000000, 0.0002280900000000 ] - [ -0.0002008100000000, -0.0006799000000000, 0.0001700200000000 ] - [ -0.0001879500000000, 0.0006625100000000, 0.0001660600000000 ] - [ -0.0002219500000000, 0.0006753100000000, 0.0002282600000000 ] - [ -0.0001963300000000, 0.0006505400000000, 0.0001795400000000 ] - [ -0.0028016200000000, -0.0007069600000000, -0.0001635700000000 ] - [ -0.0030896900000000, -0.0007215700000000, 0.0000852200000000 ] - [ -0.0027808800000000, -0.0006897500000000, 0.0001950400000000 ] - [ -0.0027410100000000, 0.0007014700000000, -0.0001906400000000 ] - [ -0.0030937500000000, 0.0007165600000000, 0.0000610700000000 ] - [ -0.0027844500000000, 0.0006908100000000, 0.0002150800000000 ] - [ 0.0029333000000000, -0.0007041800000000, -0.0008315300000000 ] - [ 0.0029057600000000, -0.0007166100000000, 0.0010086800000000 ] - [ 0.0030798600000000, -0.0007126300000000, 0.0000638700000000 ] - [ 0.0028558700000000, 0.0007275200000000, -0.0006555600000000 ] - [ 0.0029214900000000, 0.0007137100000000, 0.0007568700000000 ] - [ 0.0030825900000000, 0.0006943000000000, -0.0000988400000000 ] - [ 0.0010570000000000, -0.0016582600000000, -0.0015693900000000 ] - [ -0.0006242100000000, 0.0003824300000000, 0.0005066900000000 ] - [ 0.0007005100000000, -0.0012420000000000, 0.0005296600000000 ] - [ 0.0023413700000000, 0.0039161400000000, 0.0009769800000000 ] - [ -0.0011693000000000, -0.0013914600000000, 0.0007470400000000 ] - [ 0.0010564100000000, 0.0019249200000000, 0.0008108400000000 ] - [ 0.0005556100000000, -0.0010563500000000, -0.0003062600000000 ] - [ 0.0011390800000000, -0.0014581000000000, -0.0001760900000000 ] - [ 0.0011026000000000, -0.0013336900000000, -0.0001032000000000 ] - [ 0.0008381000000000, 0.0012410600000000, -0.0004759000000000 ] - [ 0.0009444600000000, 0.0014860800000000, -0.0000860400000000 ] - [ 0.0012948000000000, 0.0012974000000000, -0.0000282600000000 ] - [ -0.0199914200000000, -0.0079252600000000, 0.0147966600000000 ] - [ -0.0114823700000000, -0.0002078300000000, 0.0083796900000000 ] - [ -0.0027285800000000, 0.0072695900000000, 0.0120683300000000 ] - [ 0.0002462700000000, -0.0005557100000000, -0.0035410800000000 ] - [ -0.0000232100000000, -0.0002782300000000, -0.0000715800000000 ] - [ -0.0003135500000000, 0.0002013100000000, -0.0000830900000000 ] - [ 0.0001791400000000, -0.0000254000000000, -0.0003357400000000 ] - [ 0.0001889100000000, 0.0001067900000000, -0.0003075000000000 ] - [ 0.0001774700000000, 0.0000165400000000, -0.0001933100000000 ] - [ -0.0001902000000000, -0.0000048300000000, 0.0002168800000000 ] - [ -0.0001730700000000, -0.0000012400000000, 0.0003204500000000 ] - [ -0.0000870400000000, -0.0000158900000000, 0.0002660300000000 ] - [ 0.0002458400000000, 0.0002475200000000, 0.0002321500000000 ] - [ 0.0000697600000000, -0.0000250400000000, 0.0002736900000000 ] - [ 0.0002406700000000, 0.0000153900000000, 0.0003431900000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0142089500000000, 0.0008471100000000, 0.0027898800000000 ] - [ -0.0137982700000000, 0.0006370200000000, 0.0044904700000000 ] - [ -0.0131493700000000, -0.0005929900000000, 0.0047121800000000 ] - [ -0.0005148200000000, -0.0010425100000000, -0.0268890400000000 ] - [ 0.0047617200000000, 0.0009368700000000, 0.0036310800000000 ] - [ 0.0007764900000000, -0.0010767300000000, 0.0033849000000000 ] - [ 0.0022029600000000, 0.0002976000000000, -0.0009045400000000 ] - [ 0.0036143600000000, -0.0007114100000000, 0.0005118700000000 ] - [ 0.0021161300000000, 0.0008225700000000, 0.0005672700000000 ] - [ -0.0029326300000000, -0.0000431100000000, -0.0001093400000000 ] - [ -0.0027209600000000, -0.0001168900000000, -0.0001206500000000 ] - [ -0.0028239100000000, -0.0000990800000000, 0.0003576600000000 ] - [ -0.0042633000000000, -0.0006591800000000, -0.0008824600000000 ] - [ -0.0011217100000000, 0.0008851500000000, -0.0003945000000000 ] - [ -0.0027584600000000, 0.0001176100000000, 0.0008726800000000 ] - [ 0.0132552000000000, 0.0001513800000000, 0.0038398700000000 ] - [ 0.0137392500000000, -0.0002797800000000, 0.0038378200000000 ] - [ 0.0134133700000000, -0.0000269000000000, 0.0041917000000000 ] - [ -0.0129922100000000, 0.0002306000000000, -0.0040501000000000 ] - [ -0.0132511600000000, 0.0000233600000000, -0.0037397800000000 ] - [ -0.0133414500000000, -0.0001264100000000, -0.0040675300000000 ] - [ 0.0029113200000000, -0.0001114200000000, -0.0003011200000000 ] - [ 0.0028751500000000, -0.0001219800000000, 0.0002631700000000 ] - [ 0.0030572700000000, -0.0001579100000000, -0.0000878300000000 ] - [ 0.0029048300000000, 0.0000983600000000, -0.0003414800000000 ] - [ 0.0028618900000000, 0.0001292500000000, 0.0002581300000000 ] - [ 0.0031438700000000, 0.0001371100000000, -0.0000463300000000 ] - [ -0.0025313400000000, 0.0009865300000000, -0.0007219100000000 ] - [ -0.0037716900000000, -0.0013383500000000, 0.0000254500000000 ] - [ -0.0022417600000000, 0.0006741600000000, 0.0005587700000000 ] - [ -0.0025749500000000, -0.0005095200000000, -0.0009563400000000 ] - [ -0.0038091100000000, 0.0008626700000000, 0.0001535400000000 ] - [ -0.0021022000000000, -0.0003465400000000, 0.0005127900000000 ] - [ 0.0121100900000000, -0.0005102800000000, -0.0168477700000000 ] - [ 0.0110231000000000, -0.0016561800000000, 0.0044656500000000 ] - [ 0.0145008200000000, 0.0009158900000000, 0.0035939900000000 ] - [ 0.0114356900000000, 0.0002031800000000, -0.0039151600000000 ] - [ 0.0112670100000000, -0.0003068100000000, -0.0037053400000000 ] - [ 0.0113653500000000, -0.0000102200000000, -0.0050656600000000 ] - [ 0.0067152600000000, 0.0034206900000000, 0.0353767600000000 ] - [ -0.0021540500000000, -0.0017839500000000, -0.0010075800000000 ] - [ -0.0002137600000000, -0.0010398500000000, -0.0010086300000000 ] - [ -0.0002561700000000, 0.0007017200000000, 0.0027012900000000 ] - [ -0.0018145600000000, 0.0018892900000000, -0.0001240400000000 ] - [ -0.0006178700000000, 0.0010043800000000, -0.0001252900000000 ] - [ -0.0003831800000000, -0.0011433800000000, -0.0003037200000000 ] - [ -0.0002487100000000, -0.0005977200000000, -0.0002256600000000 ] - [ -0.0001786600000000, -0.0007197100000000, -0.0002572800000000 ] - [ 0.0002067000000000, -0.0009687600000000, 0.0047277600000000 ] - [ 0.0001177600000000, -0.0001613500000000, -0.0004983800000000 ] - [ -0.0004128200000000, 0.0012949300000000, -0.0004732900000000 ] - [ -0.0028028400000000, 0.0005134100000000, 0.0002586300000000 ] - [ -0.0030034100000000, 0.0009143600000000, 0.0003843100000000 ] - [ -0.0029185000000000, 0.0007110400000000, -0.0007613100000000 ] - [ 0.0042073200000000, 0.0028516900000000, 0.0012388400000000 ] - [ -0.0093538800000000, -0.0038999600000000, 0.0005321200000000 ] - [ -0.0029378500000000, -0.0007018400000000, -0.0019270400000000 ] - [ 0.0029596100000000, -0.0007359700000000, 0.0002281500000000 ] - [ 0.0027732700000000, -0.0006532400000000, -0.0001610900000000 ] - [ 0.0030671700000000, -0.0007657400000000, -0.0001609800000000 ] - [ 0.0022869100000000, 0.0003596800000000, 0.0005433900000000 ] - [ 0.0024851400000000, 0.0005344700000000, -0.0006191800000000 ] - [ 0.0033129800000000, 0.0008298400000000, -0.0004763900000000 ] - [ 0.0005231800000000, -0.0008558700000000, -0.0001328800000000 ] - [ -0.0002073900000000, -0.0003446200000000, -0.0001837300000000 ] - [ 0.0001983600000000, -0.0006437700000000, -0.0002686000000000 ] - [ 0.0002290700000000, 0.0006478100000000, -0.0001716600000000 ] - [ 0.0002163900000000, 0.0007375200000000, -0.0001667400000000 ] - [ 0.0002283000000000, 0.0006846400000000, -0.0002347200000000 ] - [ 0.0010577500000000, -0.0013879400000000, 0.0002090300000000 ] - [ 0.0011140400000000, -0.0013862000000000, 0.0001688600000000 ] - [ 0.0011432200000000, -0.0013854100000000, 0.0002093000000000 ] - [ 0.0003100400000000, 0.0009745200000000, 0.0002553300000000 ] - [ 0.0010775900000000, 0.0013632300000000, 0.0001464700000000 ] - [ 0.0017456100000000, 0.0017150800000000, 0.0002600400000000 ] - [ -0.0113531900000000, 0.0000081800000000, -0.0039334400000000 ] - [ -0.0113624400000000, 0.0000168700000000, -0.0043179000000000 ] - [ -0.0113389100000000, -0.0000034700000000, -0.0043279200000000 ] - [ 0.0113020800000000, -0.0000109000000000, 0.0044201700000000 ] - [ 0.0112890300000000, -0.0000194200000000, 0.0040744900000000 ] - [ 0.0113206800000000, 0.0000024300000000, 0.0040539100000000 ] - [ -0.0011904100000000, -0.0014172600000000, -0.0001879800000000 ] - [ -0.0012392500000000, -0.0014187100000000, -0.0001714500000000 ] - [ -0.0011667300000000, -0.0014029700000000, -0.0002191300000000 ] - [ -0.0012247900000000, 0.0014248700000000, -0.0001899000000000 ] - [ -0.0012291300000000, 0.0014379200000000, -0.0001658700000000 ] - [ -0.0011659000000000, 0.0014048300000000, -0.0002197500000000 ] - [ -0.0003333800000000, -0.0008092100000000, 0.0002036400000000 ] - [ -0.0002612200000000, -0.0007249600000000, 0.0001526900000000 ] - [ -0.0002795800000000, -0.0007103600000000, 0.0002100200000000 ] - [ -0.0002957500000000, 0.0007314800000000, 0.0002130400000000 ] - [ -0.0002608600000000, 0.0007174400000000, 0.0001531900000000 ] - [ -0.0002872000000000, 0.0007423600000000, 0.0002006700000000 ] - [ -0.0030489200000000, -0.0007056100000000, 0.0002268500000000 ] - [ -0.0027658100000000, -0.0006907400000000, -0.0000223500000000 ] - [ -0.0030738600000000, -0.0007235900000000, -0.0001273300000000 ] - [ -0.0031047400000000, 0.0007099900000000, 0.0002536900000000 ] - [ -0.0027617500000000, 0.0006962100000000, -0.0000012500000000 ] - [ -0.0030713800000000, 0.0007216300000000, -0.0001470600000000 ] - [ 0.0029189300000000, -0.0007064400000000, 0.0008688700000000 ] - [ 0.0029417500000000, -0.0006959600000000, -0.0009421500000000 ] - [ 0.0027721400000000, -0.0006986400000000, 0.0000257100000000 ] - [ 0.0029926800000000, 0.0006850200000000, 0.0007101200000000 ] - [ 0.0029264900000000, 0.0006985200000000, -0.0006918600000000 ] - [ 0.0027662000000000, 0.0007191900000000, 0.0001702200000000 ] - [ -0.0005484900000000, 0.0002539300000000, 0.0019473400000000 ] - [ 0.0010923000000000, -0.0017572400000000, -0.0001254000000000 ] - [ -0.0002293200000000, -0.0001352900000000, -0.0001503300000000 ] - [ -0.0017592400000000, -0.0023623500000000, -0.0006166200000000 ] - [ 0.0016276300000000, 0.0027488600000000, -0.0003634600000000 ] - [ -0.0005947900000000, -0.0005650700000000, -0.0004361500000000 ] - [ 0.0017076000000000, -0.0017193200000000, -0.0000838100000000 ] - [ 0.0011336300000000, -0.0013259500000000, -0.0002118400000000 ] - [ 0.0011701000000000, -0.0014498200000000, -0.0002823100000000 ] - [ 0.0014370700000000, 0.0015500700000000, 0.0000853100000000 ] - [ 0.0013273200000000, 0.0012996900000000, -0.0003017000000000 ] - [ 0.0009761700000000, 0.0014881400000000, -0.0003586000000000 ] - [ -0.0028056800000000, 0.0077809400000000, -0.0062488400000000 ] - [ -0.0111730600000000, 0.0001987500000000, 0.0000054100000000 ] - [ -0.0200826700000000, -0.0074191200000000, -0.0038340300000000 ] - [ -0.0006212500000000, 0.0005843200000000, 0.0029974400000000 ] - [ -0.0003151400000000, 0.0002779900000000, -0.0004673500000000 ] - [ -0.0000253200000000, -0.0002016700000000, -0.0004556200000000 ] - [ 0.0001617400000000, 0.0000219400000000, -0.0001992500000000 ] - [ 0.0001520600000000, -0.0001114500000000, -0.0002343400000000 ] - [ 0.0001655200000000, -0.0000165600000000, -0.0003437900000000 ] - [ -0.0001524900000000, 0.0000028400000000, 0.0003201700000000 ] - [ -0.0001703200000000, 0.0000004700000000, 0.0002191400000000 ] - [ -0.0002556500000000, 0.0000135300000000, 0.0002730200000000 ] - [ 0.0000992700000000, -0.0002322600000000, 0.0003060700000000 ] - [ 0.0002693400000000, 0.0000254100000000, 0.0002653400000000 ] - [ 0.0000992600000000, -0.0000147000000000, 0.0001981600000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0358745600000000, 0.0436353900000000, -0.0021455900000000 ] - [ -0.0076999300000000, 0.0034516000000000, 0.0190411300000000 ] - [ -0.0068219700000000, 0.0036710900000000, -0.0084828800000000 ] - [ 0.0108068600000000, -0.0206507100000000, -0.0002665000000000 ] - [ 0.0052840000000000, -0.0039891600000000, 0.0003915400000000 ] - [ 0.0051415500000000, -0.0038800500000000, -0.0003185700000000 ] - [ 0.0349410700000000, 0.0214681000000000, -0.0003112300000000 ] - [ 0.0109893500000000, 0.0036675200000000, -0.0117670100000000 ] - [ 0.0107916900000000, 0.0034191100000000, 0.0118881400000000 ] - [ -0.0113745700000000, 0.0013565300000000, 0.0088843200000000 ] - [ -0.0112773300000000, 0.0012132900000000, -0.0089262700000000 ] - [ -0.0047108800000000, 0.0003381600000000, 0.0000622800000000 ] - [ -0.0018290500000000, 0.0015839300000000, -0.0001386200000000 ] - [ -0.0018101900000000, 0.0015496500000000, 0.0002277100000000 ] - [ -0.0021713500000000, 0.0005792000000000, 0.0000637900000000 ] - [ 0.0088575600000000, -0.0029439800000000, 0.0043684000000000 ] - [ 0.0088385300000000, -0.0029738500000000, 0.0032003500000000 ] - [ 0.0111585900000000, -0.0011836700000000, 0.0037845700000000 ] - [ -0.0176126700000000, 0.0019162600000000, -0.0043685200000000 ] - [ -0.0157718900000000, 0.0009054000000000, -0.0040672500000000 ] - [ -0.0175363100000000, 0.0018830000000000, -0.0038731800000000 ] - [ -0.0004424700000000, -0.0004360800000000, 0.0009081500000000 ] - [ 0.0006384600000000, -0.0002564100000000, -0.0000033400000000 ] - [ -0.0003650100000000, -0.0003945900000000, -0.0010271500000000 ] - [ -0.0006549200000000, 0.0004201700000000, 0.0006548700000000 ] - [ 0.0006852800000000, 0.0002109000000000, -0.0000098500000000 ] - [ -0.0005823600000000, 0.0003890500000000, -0.0007591300000000 ] - [ -0.0154945300000000, 0.0112511500000000, -0.0003676000000000 ] - [ -0.0042122000000000, 0.0019116400000000, 0.0016518900000000 ] - [ -0.0038806300000000, 0.0016882100000000, -0.0015996500000000 ] - [ -0.0127931800000000, -0.0088474400000000, -0.0003472400000000 ] - [ -0.0047905900000000, -0.0020992600000000, 0.0014984900000000 ] - [ -0.0044425000000000, -0.0018481800000000, -0.0014446100000000 ] - [ 0.0274774400000000, -0.0096805500000000, -0.0043946400000000 ] - [ 0.0172784000000000, -0.0020897800000000, -0.0044051200000000 ] - [ 0.0171162800000000, -0.0020258200000000, -0.0039099500000000 ] - [ 0.0134916100000000, 0.0044551700000000, 0.0189605000000000 ] - [ 0.0142725700000000, 0.0045773700000000, -0.0308561400000000 ] - [ 0.0113774900000000, -0.0006744500000000, -0.0050295900000000 ] - [ 0.0009476500000000, 0.0040209100000000, 0.0003313300000000 ] - [ -0.0015859400000000, -0.0009197200000000, 0.0001323900000000 ] - [ -0.0015605800000000, -0.0009327400000000, 0.0002035500000000 ] - [ -0.0266394200000000, 0.0045025400000000, -0.0002401000000000 ] - [ -0.0047895600000000, 0.0029069000000000, 0.0003645100000000 ] - [ -0.0047545800000000, 0.0029379500000000, -0.0001602100000000 ] - [ -0.1184525000000000, -0.1152174600000000, 0.0052452300000000 ] - [ -0.0064421200000000, -0.0093288000000000, -0.0003134100000000 ] - [ -0.0064472800000000, -0.0093600600000000, -0.0001904200000000 ] - [ -0.0186016400000000, 0.0210842100000000, 0.0012819400000000 ] - [ -0.0026525100000000, 0.0036948800000000, -0.0008544400000000 ] - [ -0.0026568700000000, 0.0037013800000000, 0.0002211000000000 ] - [ 0.0012641400000000, 0.0046641300000000, -0.0232713900000000 ] - [ 0.0011255500000000, 0.0050225700000000, 0.0234431900000000 ] - [ -0.0024470400000000, 0.0002477200000000, -0.0000641200000000 ] - [ -0.0042840500000000, 0.0002240400000000, 0.0010342800000000 ] - [ -0.0043268700000000, 0.0002623700000000, -0.0009284400000000 ] - [ -0.0037487400000000, -0.0004057100000000, -0.0000546200000000 ] - [ 0.0222357200000000, 0.0016968200000000, 0.0001011700000000 ] - [ 0.0028782900000000, -0.0009511900000000, 0.0031147200000000 ] - [ 0.0028983500000000, -0.0009689000000000, -0.0031899100000000 ] - [ 0.0009449200000000, 0.0004757000000000, -0.0000421800000000 ] - [ 0.0022409000000000, 0.0003708900000000, 0.0001950200000000 ] - [ 0.0022539000000000, 0.0003701400000000, -0.0002824900000000 ] - [ 0.0000312100000000, -0.0000085800000000, -0.0002623700000000 ] - [ 0.0000303800000000, -0.0000120500000000, -0.0001193100000000 ] - [ 0.0001002800000000, -0.0003671100000000, -0.0001746900000000 ] - [ 0.0036442000000000, 0.0045215000000000, -0.0008128500000000 ] - [ 0.0036448500000000, 0.0045796900000000, 0.0007246300000000 ] - [ 0.0013935700000000, 0.0021267200000000, -0.0001154800000000 ] - [ 0.0051987000000000, -0.0035390300000000, 0.0004795100000000 ] - [ 0.0028122800000000, -0.0022678500000000, 0.0001531000000000 ] - [ 0.0052090400000000, -0.0035285300000000, -0.0002518200000000 ] - [ 0.0014301700000000, 0.0011086400000000, 0.0001824500000000 ] - [ 0.0012880200000000, 0.0013043100000000, 0.0001820300000000 ] - [ 0.0014438400000000, 0.0011153900000000, 0.0001695300000000 ] - [ -0.0105474800000000, 0.0003789500000000, -0.0041048100000000 ] - [ -0.0107568100000000, 0.0002816800000000, -0.0034702600000000 ] - [ -0.0107944200000000, 0.0002565900000000, -0.0046791800000000 ] - [ 0.0120746600000000, -0.0003981000000000, 0.0043095600000000 ] - [ 0.0118704600000000, -0.0003045100000000, 0.0045649500000000 ] - [ 0.0118653200000000, -0.0003013800000000, 0.0040018900000000 ] - [ 0.0009826000000000, -0.0003954300000000, -0.0002334400000000 ] - [ 0.0010090800000000, -0.0003854500000000, -0.0002870900000000 ] - [ 0.0002873100000000, -0.0007242800000000, -0.0002129500000000 ] - [ 0.0010366800000000, 0.0006237800000000, -0.0002401700000000 ] - [ 0.0010510400000000, 0.0006178000000000, -0.0002483000000000 ] - [ 0.0002259300000000, 0.0008740200000000, -0.0002128300000000 ] - [ 0.0010966600000000, 0.0002810200000000, 0.0001851000000000 ] - [ 0.0006142400000000, 0.0000218900000000, 0.0002115900000000 ] - [ 0.0010709200000000, 0.0002680000000000, 0.0002870600000000 ] - [ 0.0012122600000000, -0.0007675500000000, 0.0002333300000000 ] - [ 0.0007079600000000, -0.0002835700000000, 0.0002294700000000 ] - [ 0.0011867300000000, -0.0007485000000000, 0.0003501700000000 ] - [ -0.0002503700000000, 0.0005315300000000, 0.0000924100000000 ] - [ -0.0020828900000000, -0.0003478000000000, -0.0003128500000000 ] - [ -0.0021376600000000, -0.0003781200000000, 0.0003691600000000 ] - [ -0.0008877000000000, -0.0002618300000000, 0.0000790100000000 ] - [ -0.0021122600000000, 0.0003761200000000, -0.0002418500000000 ] - [ -0.0021581000000000, 0.0003983500000000, 0.0002985700000000 ] - [ 0.0043703200000000, -0.0014951900000000, -0.0025131300000000 ] - [ 0.0038013100000000, -0.0010720800000000, -0.0000945000000000 ] - [ 0.0042797300000000, -0.0014424100000000, 0.0026301200000000 ] - [ 0.0043460800000000, 0.0014448800000000, -0.0022517100000000 ] - [ 0.0038566400000000, 0.0010621000000000, -0.0001007900000000 ] - [ 0.0042444100000000, 0.0013927500000000, 0.0023784800000000 ] - [ -0.0027006600000000, 0.0056124600000000, 0.0005972500000000 ] - [ -0.0009378600000000, 0.0014141900000000, 0.0001968300000000 ] - [ -0.0008800100000000, 0.0012755400000000, 0.0003430800000000 ] - [ -0.0038683600000000, -0.0063558500000000, 0.0003893700000000 ] - [ -0.0007679800000000, -0.0008029700000000, 0.0001120900000000 ] - [ -0.0007231200000000, -0.0006947600000000, 0.0003573600000000 ] - [ 0.0254906900000000, -0.0088299500000000, 0.0006044300000000 ] - [ 0.0023702900000000, -0.0023545400000000, -0.0010496400000000 ] - [ 0.0021085900000000, -0.0022335900000000, 0.0002718200000000 ] - [ 0.0238726700000000, 0.0142104900000000, 0.0018504800000000 ] - [ 0.0031127400000000, 0.0025493200000000, -0.0015874300000000 ] - [ 0.0027892300000000, 0.0023548300000000, 0.0006318300000000 ] - [ -0.0126706700000000, 0.0009647900000000, 0.0047181400000000 ] - [ -0.0119853300000000, 0.0005120100000000, 0.0042912900000000 ] - [ -0.0127035200000000, 0.0009641700000000, 0.0041716700000000 ] - [ 0.0019301900000000, 0.0169971900000000, -0.0001195900000000 ] - [ -0.0006600400000000, 0.0022155900000000, 0.0005152100000000 ] - [ -0.0006486900000000, 0.0022398000000000, -0.0011164400000000 ] - [ 0.0006706900000000, -0.0019884000000000, -0.0009066200000000 ] - [ 0.0006407400000000, -0.0019920000000000, 0.0003695000000000 ] - [ 0.0000980100000000, -0.0007623500000000, -0.0002769000000000 ] - [ 0.0002368300000000, 0.0000587500000000, 0.0001559700000000 ] - [ 0.0000833900000000, 0.0000372400000000, 0.0002622200000000 ] - [ 0.0002361800000000, 0.0000573000000000, 0.0003802500000000 ] - [ 0.0023564100000000, 0.0004922000000000, 0.0003217700000000 ] - [ 0.0003710400000000, -0.0000735000000000, 0.0000659600000000 ] - [ 0.0003429500000000, -0.0000707700000000, 0.0004351600000000 ]- atom: 46 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0642999700000000, -0.0462965600000000, 0.0101750800000000 ] - [ -0.0190053000000000, -0.0034818900000000, -0.0112706700000000 ] - [ -0.0198807900000000, -0.0036965700000000, 0.0164047400000000 ] - [ -0.0051441600000000, 0.0205752800000000, 0.0003567100000000 ] - [ 0.0004021300000000, 0.0037821700000000, -0.0003065300000000 ] - [ 0.0005492500000000, 0.0036656000000000, 0.0004012400000000 ] - [ -0.0291922500000000, -0.0201045800000000, 0.0003703000000000 ] - [ -0.0053149400000000, -0.0034441500000000, 0.0119300700000000 ] - [ -0.0051123000000000, -0.0031834700000000, -0.0118882100000000 ] - [ 0.0057462400000000, -0.0016130400000000, -0.0087818100000000 ] - [ 0.0056481900000000, -0.0014698700000000, 0.0089938200000000 ] - [ -0.0009759900000000, -0.0005722600000000, 0.0000207300000000 ] - [ -0.0038677800000000, -0.0013577200000000, 0.0002251200000000 ] - [ -0.0038890200000000, -0.0013222000000000, -0.0001452100000000 ] - [ -0.0035260300000000, -0.0003495300000000, 0.0000189200000000 ] - [ 0.0178280000000000, 0.0029534100000000, 0.0035356300000000 ] - [ 0.0178459300000000, 0.0029819000000000, 0.0047055000000000 ] - [ 0.0155183900000000, 0.0011887500000000, 0.0041214900000000 ] - [ -0.0090380100000000, -0.0019185700000000, -0.0035355100000000 ] - [ -0.0108864400000000, -0.0009085600000000, -0.0038378500000000 ] - [ -0.0091152100000000, -0.0018868900000000, -0.0040309400000000 ] - [ 0.0061509900000000, 0.0002062000000000, -0.0009916300000000 ] - [ 0.0050674200000000, 0.0000245100000000, -0.0000817400000000 ] - [ 0.0060709900000000, 0.0001645500000000, 0.0009434000000000 ] - [ 0.0063679500000000, -0.0001917000000000, -0.0007456500000000 ] - [ 0.0050206300000000, 0.0000211000000000, -0.0000761700000000 ] - [ 0.0062956000000000, -0.0001601300000000, 0.0006816600000000 ] - [ 0.0098840900000000, -0.0115910300000000, 0.0002876900000000 ] - [ -0.0014818000000000, -0.0021585700000000, -0.0017469100000000 ] - [ -0.0018200400000000, -0.0019298800000000, 0.0015241200000000 ] - [ 0.0071248000000000, 0.0091243300000000, 0.0002677400000000 ] - [ -0.0008940400000000, 0.0023492800000000, -0.0015881300000000 ] - [ -0.0012510700000000, 0.0020923100000000, 0.0013622800000000 ] - [ -0.0009205200000000, 0.0097515800000000, -0.0035030900000000 ] - [ 0.0093633000000000, 0.0021029000000000, -0.0034865000000000 ] - [ 0.0095280100000000, 0.0020377800000000, -0.0040043400000000 ] - [ 0.0091798200000000, -0.0044713400000000, -0.0275039800000000 ] - [ 0.0083995800000000, -0.0045938200000000, 0.0227962800000000 ] - [ 0.0112751700000000, 0.0006825300000000, -0.0033218500000000 ] - [ -0.0032506400000000, -0.0068564900000000, 0.0000548300000000 ] - [ -0.0006862800000000, -0.0018682000000000, 0.0002567100000000 ] - [ -0.0007119900000000, -0.0018536400000000, 0.0001869400000000 ] - [ 0.0244229800000000, -0.0019011100000000, 0.0006374600000000 ] - [ 0.0025278000000000, -0.0001314100000000, 0.0000197300000000 ] - [ 0.0024928700000000, -0.0001639200000000, 0.0005546300000000 ] - [ 0.1197204200000000, 0.1156177700000000, -0.0058113600000000 ] - [ 0.0059955300000000, 0.0079856600000000, -0.0000697800000000 ] - [ 0.0059902400000000, 0.0080004800000000, -0.0001742500000000 ] - [ 0.0183230600000000, -0.0198123400000000, -0.0016787300000000 ] - [ 0.0021909200000000, -0.0023272800000000, 0.0004798300000000 ] - [ 0.0021866600000000, -0.0023233200000000, -0.0005989500000000 ] - [ -0.0071838100000000, -0.0032417700000000, 0.0232748600000000 ] - [ -0.0070464400000000, -0.0035991500000000, -0.0235734800000000 ] - [ -0.0034127500000000, 0.0011676100000000, 0.0000041900000000 ] - [ -0.0015640000000000, -0.0016448900000000, -0.0011027100000000 ] - [ -0.0015192300000000, -0.0016832700000000, 0.0008657100000000 ] - [ -0.0021017400000000, -0.0010096700000000, -0.0000054700000000 ] - [ -0.0161353200000000, -0.0030330200000000, -0.0001679300000000 ] - [ 0.0029664900000000, -0.0004557000000000, -0.0031850800000000 ] - [ 0.0029462800000000, -0.0004381900000000, 0.0031355000000000 ] - [ 0.0049183500000000, 0.0009364000000000, -0.0000227500000000 ] - [ 0.0036126300000000, 0.0010427600000000, -0.0002617200000000 ] - [ 0.0035989900000000, 0.0010435200000000, 0.0002203000000000 ] - [ 0.0004503100000000, -0.0013858400000000, -0.0001174600000000 ] - [ 0.0004499100000000, -0.0013811400000000, -0.0002617700000000 ] - [ 0.0003809100000000, -0.0010256500000000, -0.0002045400000000 ] - [ -0.0031821600000000, -0.0031361300000000, 0.0004313900000000 ] - [ -0.0031814900000000, -0.0031929900000000, -0.0011040800000000 ] - [ -0.0009184800000000, -0.0007434700000000, -0.0002633400000000 ] - [ -0.0029437100000000, 0.0007616900000000, -0.0000890700000000 ] - [ -0.0005470800000000, -0.0005113400000000, 0.0002366900000000 ] - [ -0.0029557000000000, 0.0007522700000000, 0.0006389900000000 ] - [ 0.0008376200000000, 0.0016740400000000, 0.0002054900000000 ] - [ 0.0009851500000000, 0.0014798500000000, 0.0002070700000000 ] - [ 0.0008256300000000, 0.0016671800000000, 0.0002180200000000 ] - [ -0.0121097100000000, -0.0003790900000000, -0.0042776800000000 ] - [ -0.0119003900000000, -0.0002821400000000, -0.0049110200000000 ] - [ -0.0118628100000000, -0.0002572800000000, -0.0037006500000000 ] - [ 0.0105766500000000, 0.0003986100000000, 0.0040701000000000 ] - [ 0.0107812200000000, 0.0003053300000000, 0.0038161200000000 ] - [ 0.0107863500000000, 0.0003022200000000, 0.0043793400000000 ] - [ -0.0032643800000000, -0.0023905600000000, -0.0001547400000000 ] - [ -0.0032899600000000, -0.0024007300000000, -0.0001018200000000 ] - [ -0.0025641800000000, -0.0020594800000000, -0.0001739000000000 ] - [ -0.0033179800000000, 0.0021622000000000, -0.0001494300000000 ] - [ -0.0033327600000000, 0.0021680500000000, -0.0001405200000000 ] - [ -0.0025014900000000, 0.0019087400000000, -0.0001743000000000 ] - [ -0.0015840800000000, -0.0016750200000000, 0.0001946800000000 ] - [ -0.0010991100000000, -0.0014143000000000, 0.0001686700000000 ] - [ -0.0015570100000000, -0.0016612200000000, 0.0000911000000000 ] - [ -0.0016989200000000, 0.0021627100000000, 0.0001460500000000 ] - [ -0.0011927600000000, 0.0016771500000000, 0.0001513100000000 ] - [ -0.0016737100000000, 0.0021436800000000, 0.0000288000000000 ] - [ -0.0056043600000000, -0.0019460800000000, -0.0000296400000000 ] - [ -0.0037732500000000, -0.0010663900000000, 0.0003789900000000 ] - [ -0.0037170800000000, -0.0010363500000000, -0.0003049800000000 ] - [ -0.0049818300000000, 0.0016822700000000, -0.0000167400000000 ] - [ -0.0037435800000000, 0.0010385800000000, 0.0003083300000000 ] - [ -0.0036976500000000, 0.0010159600000000, -0.0002371500000000 ] - [ 0.0014751800000000, 0.0000881000000000, 0.0025952100000000 ] - [ 0.0020465100000000, -0.0003390100000000, 0.0001618600000000 ] - [ 0.0015667600000000, 0.0000341600000000, -0.0025855200000000 ] - [ 0.0015016600000000, -0.0000353000000000, 0.0023181300000000 ] - [ 0.0019919700000000, 0.0003495500000000, 0.0001678300000000 ] - [ 0.0016047600000000, 0.0000182700000000, -0.0023215300000000 ] - [ 0.0031979300000000, -0.0070341100000000, -0.0002225100000000 ] - [ 0.0014274700000000, -0.0028204800000000, 0.0001823700000000 ] - [ 0.0013694000000000, -0.0026793200000000, 0.0000363900000000 ] - [ 0.0044118500000000, 0.0078027400000000, -0.0000138500000000 ] - [ 0.0012578900000000, 0.0022052800000000, 0.0002689500000000 ] - [ 0.0012131800000000, 0.0020948500000000, 0.0000219800000000 ] - [ -0.0235834200000000, 0.0060906500000000, -0.0010006300000000 ] - [ -0.0001092900000000, -0.0004193100000000, 0.0006668900000000 ] - [ 0.0001639200000000, -0.0005455400000000, -0.0006581700000000 ] - [ -0.0217188000000000, -0.0114966700000000, -0.0022501600000000 ] - [ -0.0008632800000000, 0.0002219500000000, 0.0012093500000000 ] - [ -0.0005248500000000, 0.0004243900000000, -0.0010192800000000 ] - [ -0.0099721000000000, -0.0009742500000000, 0.0036485600000000 ] - [ -0.0106658500000000, -0.0005168700000000, 0.0040912600000000 ] - [ -0.0099393000000000, -0.0009737700000000, 0.0042167100000000 ] - [ -0.0022361700000000, -0.0170776200000000, -0.0004208200000000 ] - [ 0.0003236600000000, -0.0022228600000000, -0.0010576200000000 ] - [ 0.0003121400000000, -0.0022475600000000, 0.0005822600000000 ] - [ -0.0003374500000000, 0.0019978400000000, 0.0003694000000000 ] - [ -0.0003065300000000, 0.0019984800000000, -0.0009089100000000 ] - [ 0.0002407300000000, 0.0007671200000000, -0.0002602200000000 ] - [ -0.0005779500000000, -0.0000598300000000, 0.0003818800000000 ] - [ -0.0004238700000000, -0.0000376000000000, 0.0002768400000000 ] - [ -0.0005769000000000, -0.0000594100000000, 0.0001568800000000 ] - [ -0.0020405100000000, -0.0005067600000000, 0.0002151100000000 ] - [ -0.0000337300000000, 0.0000739100000000, 0.0004750500000000 ] - [ -0.0000049500000000, 0.0000710100000000, 0.0001037200000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040921000000000, 0.0337178600000000, -0.0019957000000000 ] - [ -0.0068896800000000, 0.0055743100000000, 0.0267330700000000 ] - [ -0.0055443700000000, 0.0060730000000000, -0.0148309300000000 ] - [ 0.0129745500000000, -0.0444177300000000, -0.0006020800000000 ] - [ 0.0050041700000000, -0.0065182400000000, 0.0008950800000000 ] - [ 0.0047845800000000, -0.0063752900000000, -0.0008375800000000 ] - [ 0.0580641100000000, 0.1265517400000000, -0.0012299200000000 ] - [ 0.0124803100000000, 0.0061148200000000, -0.0177390000000000 ] - [ 0.0121990600000000, 0.0056281900000000, 0.0180188300000000 ] - [ -0.0128286900000000, 0.0060318800000000, 0.0049939100000000 ] - [ -0.0124488300000000, 0.0059581800000000, -0.0049498800000000 ] - [ -0.0053382700000000, 0.0008011100000000, 0.0001366600000000 ] - [ -0.0004095100000000, -0.0006081400000000, -0.0011826200000000 ] - [ -0.0003594000000000, -0.0007659800000000, 0.0012683000000000 ] - [ -0.0018419100000000, 0.0004782900000000, 0.0000999800000000 ] - [ 0.0090096000000000, -0.0035532800000000, 0.0043713500000000 ] - [ 0.0090669000000000, -0.0035418700000000, 0.0032204700000000 ] - [ 0.0110971300000000, -0.0016653500000000, 0.0038360700000000 ] - [ -0.0169514200000000, 0.0024513000000000, -0.0042501100000000 ] - [ -0.0156878900000000, 0.0012908900000000, -0.0040372900000000 ] - [ -0.0169430700000000, 0.0024391900000000, -0.0039952400000000 ] - [ -0.0005740300000000, -0.0007838100000000, 0.0010985700000000 ] - [ 0.0005917900000000, -0.0004065500000000, 0.0000197100000000 ] - [ -0.0004748200000000, -0.0007217400000000, -0.0012395500000000 ] - [ 0.0001287200000000, 0.0004449100000000, 0.0002654300000000 ] - [ 0.0009453600000000, 0.0002343000000000, 0.0000078800000000 ] - [ 0.0001941400000000, 0.0004164400000000, -0.0003826500000000 ] - [ -0.0115452600000000, 0.0128104500000000, -0.0004244700000000 ] - [ -0.0047437700000000, 0.0032249800000000, 0.0008608600000000 ] - [ -0.0042827900000000, 0.0028439600000000, -0.0007762600000000 ] - [ -0.0166096300000000, -0.0131895700000000, -0.0005586600000000 ] - [ -0.0055388000000000, -0.0034467100000000, 0.0018168400000000 ] - [ -0.0050248300000000, -0.0030303600000000, -0.0017031200000000 ] - [ 0.0413893200000000, -0.0256388800000000, -0.0046686700000000 ] - [ 0.0185621900000000, -0.0038783100000000, -0.0068082100000000 ] - [ 0.0181539200000000, -0.0036981900000000, -0.0016488000000000 ] - [ 0.0169662700000000, 0.0031883200000000, 0.0289378200000000 ] - [ 0.0188022400000000, 0.0037051000000000, -0.0424857100000000 ] - [ 0.0115691700000000, -0.0011539000000000, -0.0054622700000000 ] - [ 0.0071857600000000, 0.0127227700000000, 0.0006350300000000 ] - [ -0.0005844700000000, -0.0000438300000000, 0.0002194800000000 ] - [ -0.0005645200000000, -0.0000722200000000, 0.0000941700000000 ] - [ -0.0493598900000000, 0.0464487400000000, -0.0014170800000000 ] - [ -0.0052104800000000, 0.0031498300000000, 0.0007893900000000 ] - [ -0.0052401400000000, 0.0032064300000000, -0.0006621500000000 ] - [ -0.1160752700000000, -0.2662757500000000, 0.0070749600000000 ] - [ -0.0089044700000000, -0.0135798400000000, -0.0004230500000000 ] - [ -0.0088943800000000, -0.0136018400000000, -0.0003667600000000 ] - [ -0.0206405200000000, 0.0503626500000000, 0.0015646800000000 ] - [ -0.0032471000000000, 0.0049794600000000, -0.0013007400000000 ] - [ -0.0032539800000000, 0.0049907500000000, 0.0005245600000000 ] - [ 0.0069407100000000, 0.0003991300000000, -0.0369589400000000 ] - [ 0.0067577900000000, 0.0008692700000000, 0.0367916800000000 ] - [ -0.0015383400000000, -0.0002372300000000, -0.0001265200000000 ] - [ -0.0046523800000000, 0.0014114200000000, 0.0019661500000000 ] - [ -0.0047185700000000, 0.0014879700000000, -0.0017241700000000 ] - [ -0.0038389500000000, -0.0001479100000000, -0.0000802400000000 ] - [ 0.0144013500000000, -0.0051804600000000, 0.0001379200000000 ] - [ 0.0037951300000000, -0.0018140300000000, 0.0030450800000000 ] - [ 0.0038577700000000, -0.0018205700000000, -0.0032057800000000 ] - [ -0.0000942700000000, 0.0014736300000000, -0.0000226700000000 ] - [ 0.0022557500000000, 0.0006038600000000, -0.0002690200000000 ] - [ 0.0022807500000000, 0.0005909200000000, 0.0001439400000000 ] - [ -0.0004428600000000, 0.0009842500000000, -0.0002654600000000 ] - [ -0.0004477900000000, 0.0009848300000000, -0.0001734100000000 ] - [ -0.0000883000000000, -0.0000350800000000, -0.0001921600000000 ] - [ 0.0041147800000000, 0.0039921000000000, -0.0004802300000000 ] - [ 0.0040569000000000, 0.0039918600000000, 0.0004142800000000 ] - [ 0.0016717900000000, 0.0024031000000000, -0.0001169600000000 ] - [ 0.0055638700000000, -0.0038984400000000, 0.0003578900000000 ] - [ 0.0031443500000000, -0.0024794900000000, 0.0001435900000000 ] - [ 0.0056440800000000, -0.0039246400000000, -0.0001514300000000 ] - [ 0.0008629800000000, 0.0010217800000000, 0.0001463600000000 ] - [ 0.0011055500000000, 0.0011920000000000, 0.0001838500000000 ] - [ 0.0008937100000000, 0.0010206200000000, 0.0002353700000000 ] - [ -0.0105900900000000, 0.0004423400000000, -0.0040875100000000 ] - [ -0.0107933800000000, 0.0003435300000000, -0.0036310600000000 ] - [ -0.0108178800000000, 0.0003282500000000, -0.0045813500000000 ] - [ 0.0119467700000000, -0.0004748600000000, 0.0043149400000000 ] - [ 0.0118091000000000, -0.0003772400000000, 0.0044425300000000 ] - [ 0.0118104900000000, -0.0003759100000000, 0.0040797700000000 ] - [ 0.0010655100000000, -0.0003068000000000, -0.0002094600000000 ] - [ 0.0010964400000000, -0.0002934400000000, -0.0003073800000000 ] - [ 0.0003316000000000, -0.0006669100000000, -0.0002221600000000 ] - [ 0.0007657800000000, 0.0007797800000000, -0.0002405100000000 ] - [ 0.0007710300000000, 0.0007751400000000, -0.0002291000000000 ] - [ 0.0001056300000000, 0.0009534500000000, -0.0002145400000000 ] - [ 0.0007356900000000, -0.0001424600000000, 0.0001864700000000 ] - [ 0.0004768300000000, -0.0001785200000000, 0.0002031500000000 ] - [ 0.0007230100000000, -0.0001466400000000, 0.0002477300000000 ] - [ 0.0012196500000000, -0.0008207400000000, 0.0002265600000000 ] - [ 0.0007371300000000, -0.0003421600000000, 0.0002346100000000 ] - [ 0.0012008800000000, -0.0008146400000000, 0.0003732400000000 ] - [ 0.0003206600000000, 0.0011061200000000, 0.0001216700000000 ] - [ -0.0020264100000000, -0.0002283700000000, -0.0004051900000000 ] - [ -0.0021020500000000, -0.0002699500000000, 0.0004405500000000 ] - [ -0.0015821400000000, -0.0001845600000000, 0.0000910200000000 ] - [ -0.0021978800000000, 0.0003680300000000, -0.0000987200000000 ] - [ -0.0022561300000000, 0.0003961000000000, 0.0001364900000000 ] - [ 0.0039583200000000, -0.0015904700000000, -0.0012034500000000 ] - [ 0.0036603900000000, -0.0011234500000000, -0.0001308800000000 ] - [ 0.0038657500000000, -0.0015243300000000, 0.0013618000000000 ] - [ 0.0045778000000000, 0.0015954800000000, -0.0027554900000000 ] - [ 0.0039511100000000, 0.0011203900000000, -0.0001502200000000 ] - [ 0.0044313100000000, 0.0015075600000000, 0.0029116600000000 ] - [ -0.0061070400000000, 0.0112908300000000, 0.0010654000000000 ] - [ -0.0018785800000000, 0.0030750300000000, 0.0003338300000000 ] - [ -0.0017381200000000, 0.0027804300000000, 0.0002266700000000 ] - [ -0.0068943400000000, -0.0074921800000000, 0.0005129500000000 ] - [ -0.0012684100000000, -0.0015331600000000, 0.0002928500000000 ] - [ -0.0011581800000000, -0.0013013300000000, 0.0001485800000000 ] - [ 0.0185444300000000, -0.0115311000000000, 0.0007600400000000 ] - [ 0.0036195500000000, -0.0033284000000000, -0.0012637000000000 ] - [ 0.0032465800000000, -0.0031523300000000, 0.0003634300000000 ] - [ 0.0346423500000000, 0.0231733100000000, 0.0029334700000000 ] - [ 0.0045166000000000, 0.0033663200000000, -0.0022585700000000 ] - [ 0.0040168700000000, 0.0030608200000000, 0.0010536800000000 ] - [ -0.0136038400000000, 0.0022840500000000, 0.0076987700000000 ] - [ -0.0120586800000000, 0.0009189600000000, 0.0042949500000000 ] - [ -0.0135916900000000, 0.0022874500000000, 0.0014837800000000 ] - [ 0.0036560700000000, 0.0336694600000000, -0.0000272700000000 ] - [ -0.0006920600000000, 0.0031573100000000, 0.0007801300000000 ] - [ -0.0006798500000000, 0.0032075100000000, -0.0014083000000000 ] - [ -0.0007982100000000, -0.0018860400000000, -0.0000729200000000 ] - [ -0.0009367400000000, -0.0018454400000000, -0.0004726200000000 ] - [ 0.0000575900000000, -0.0010151000000000, -0.0002841500000000 ] - [ 0.0001197900000000, 0.0002438900000000, 0.0001869600000000 ] - [ 0.0000395500000000, 0.0001294800000000, 0.0002600700000000 ] - [ 0.0001164200000000, 0.0002412200000000, 0.0003531100000000 ] - [ 0.0020466700000000, -0.0007736500000000, 0.0003448800000000 ] - [ 0.0004271700000000, -0.0003252300000000, 0.0000790300000000 ] - [ 0.0003861700000000, -0.0003181900000000, 0.0004061200000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0342828800000000, -0.0370011900000000, 0.0100125000000000 ] - [ -0.0198323500000000, -0.0056375200000000, -0.0189627500000000 ] - [ -0.0211600000000000, -0.0061263500000000, 0.0226451200000000 ] - [ -0.0073125200000000, 0.0441500900000000, 0.0006912500000000 ] - [ 0.0006791000000000, 0.0062908100000000, -0.0008364800000000 ] - [ 0.0009064900000000, 0.0061317200000000, 0.0009456500000000 ] - [ -0.0474255100000000, -0.1173039200000000, 0.0011955800000000 ] - [ -0.0067934600000000, -0.0058603500000000, 0.0178870000000000 ] - [ -0.0064986800000000, -0.0053446800000000, -0.0179913200000000 ] - [ 0.0072042400000000, -0.0062263500000000, -0.0049682100000000 ] - [ 0.0068334500000000, -0.0061529200000000, 0.0050954100000000 ] - [ -0.0003479000000000, -0.0010312400000000, -0.0000527000000000 ] - [ -0.0052926100000000, 0.0007911100000000, 0.0012711600000000 ] - [ -0.0053460700000000, 0.0009485800000000, -0.0011869400000000 ] - [ -0.0038574800000000, -0.0002536400000000, -0.0000183900000000 ] - [ 0.0176781800000000, 0.0035772900000000, 0.0035308000000000 ] - [ 0.0176222800000000, 0.0035658600000000, 0.0046831800000000 ] - [ 0.0155801000000000, 0.0016756900000000, 0.0040675100000000 ] - [ -0.0096905000000000, -0.0024665800000000, -0.0036480500000000 ] - [ -0.0109678700000000, -0.0012991800000000, -0.0038650200000000 ] - [ -0.0097013500000000, -0.0024546700000000, -0.0039090900000000 ] - [ 0.0062956600000000, 0.0005535300000000, -0.0011882200000000 ] - [ 0.0051203800000000, 0.0001760500000000, -0.0001050800000000 ] - [ 0.0061926000000000, 0.0004910500000000, 0.0011628400000000 ] - [ 0.0055786400000000, -0.0002074200000000, -0.0003478900000000 ] - [ 0.0047608200000000, -0.0000006400000000, -0.0000952200000000 ] - [ 0.0055114900000000, -0.0001786400000000, 0.0002988500000000 ] - [ 0.0057279900000000, -0.0129024200000000, 0.0003420900000000 ] - [ -0.0009446500000000, -0.0034571900000000, -0.0009374900000000 ] - [ -0.0014155800000000, -0.0030684200000000, 0.0006810800000000 ] - [ 0.0109728800000000, 0.0133969400000000, 0.0004803200000000 ] - [ -0.0001411900000000, 0.0036797600000000, -0.0019136800000000 ] - [ -0.0006709500000000, 0.0032543000000000, 0.0016263800000000 ] - [ -0.0143727800000000, 0.0254935900000000, -0.0032303000000000 ] - [ 0.0080982300000000, 0.0039007000000000, -0.0011280100000000 ] - [ 0.0085063900000000, 0.0037176100000000, -0.0062122100000000 ] - [ 0.0057156700000000, -0.0030777400000000, -0.0374244200000000 ] - [ 0.0038658400000000, -0.0035821400000000, 0.0345326200000000 ] - [ 0.0110913800000000, 0.0011742600000000, -0.0028625300000000 ] - [ -0.0094645300000000, -0.0154600400000000, -0.0002464300000000 ] - [ -0.0016806700000000, -0.0027390200000000, 0.0001724900000000 ] - [ -0.0016995500000000, -0.0027077800000000, 0.0002921200000000 ] - [ 0.0461194600000000, -0.0429870600000000, 0.0017766000000000 ] - [ 0.0029520900000000, -0.0003832100000000, -0.0004054700000000 ] - [ 0.0029805900000000, -0.0004411600000000, 0.0010547900000000 ] - [ 0.1148685500000000, 0.2589339700000000, -0.0075944400000000 ] - [ 0.0084536900000000, 0.0122296900000000, 0.0000322700000000 ] - [ 0.0084171700000000, 0.0122077300000000, 0.0000172100000000 ] - [ 0.0202556900000000, -0.0493126900000000, -0.0019515100000000 ] - [ 0.0027756200000000, -0.0035928200000000, 0.0009226200000000 ] - [ 0.0027659800000000, -0.0035818300000000, -0.0008969900000000 ] - [ -0.0128134100000000, 0.0008490600000000, 0.0367337800000000 ] - [ -0.0126297700000000, 0.0003819500000000, -0.0367269400000000 ] - [ -0.0043104600000000, 0.0016402700000000, 0.0000669300000000 ] - [ -0.0011867500000000, -0.0028112400000000, -0.0020805600000000 ] - [ -0.0011187200000000, -0.0028877900000000, 0.0017044100000000 ] - [ -0.0020053600000000, -0.0012629500000000, 0.0000221700000000 ] - [ -0.0086140300000000, 0.0036877800000000, -0.0002000300000000 ] - [ 0.0020612400000000, 0.0003964500000000, -0.0031270900000000 ] - [ 0.0019995500000000, 0.0004026100000000, 0.0031602400000000 ] - [ 0.0059740300000000, -0.0000347500000000, -0.0000419700000000 ] - [ 0.0036036700000000, 0.0008155400000000, 0.0002029900000000 ] - [ 0.0035770900000000, 0.0008282300000000, -0.0002066000000000 ] - [ 0.0009279700000000, -0.0023742500000000, -0.0001152500000000 ] - [ 0.0009317700000000, -0.0023739200000000, -0.0002065900000000 ] - [ 0.0005718300000000, -0.0013577600000000, -0.0001870000000000 ] - [ -0.0036559500000000, -0.0026302900000000, 0.0001033400000000 ] - [ -0.0035986900000000, -0.0026304100000000, -0.0007991700000000 ] - [ -0.0011968900000000, -0.0010234600000000, -0.0002621000000000 ] - [ -0.0033145500000000, 0.0011258200000000, 0.0000293000000000 ] - [ -0.0008798100000000, -0.0002985600000000, 0.0002460100000000 ] - [ -0.0033938600000000, 0.0011517600000000, 0.0005418100000000 ] - [ 0.0014084100000000, 0.0017665600000000, 0.0002414900000000 ] - [ 0.0011693400000000, 0.0015933600000000, 0.0002051100000000 ] - [ 0.0013789600000000, 0.0017671600000000, 0.0001521000000000 ] - [ -0.0120672900000000, -0.0004451500000000, -0.0042945300000000 ] - [ -0.0118642200000000, -0.0003455900000000, -0.0047522900000000 ] - [ -0.0118393300000000, -0.0003303100000000, -0.0037961300000000 ] - [ 0.0107032800000000, 0.0004778300000000, 0.0040638700000000 ] - [ 0.0108419800000000, 0.0003798400000000, 0.0039356500000000 ] - [ 0.0108407800000000, 0.0003785400000000, 0.0043027300000000 ] - [ -0.0033508300000000, -0.0024811200000000, -0.0001789700000000 ] - [ -0.0033821800000000, -0.0024948800000000, -0.0000809400000000 ] - [ -0.0026113000000000, -0.0021179900000000, -0.0001645600000000 ] - [ -0.0030425100000000, 0.0020022600000000, -0.0001485400000000 ] - [ -0.0030485100000000, 0.0020067600000000, -0.0001602700000000 ] - [ -0.0023799400000000, 0.0018278300000000, -0.0001725000000000 ] - [ -0.0012213700000000, -0.0012490500000000, 0.0001927000000000 ] - [ -0.0009608700000000, -0.0012116700000000, 0.0001771500000000 ] - [ -0.0012070800000000, -0.0012437400000000, 0.0001311600000000 ] - [ -0.0017116600000000, 0.0022227400000000, 0.0001524200000000 ] - [ -0.0012247000000000, 0.0017387400000000, 0.0001460800000000 ] - [ -0.0016925300000000, 0.0022158800000000, 0.0000053600000000 ] - [ -0.0061923200000000, -0.0025259100000000, -0.0000596200000000 ] - [ -0.0038328300000000, -0.0011858900000000, 0.0004729000000000 ] - [ -0.0037548100000000, -0.0011440800000000, -0.0003775600000000 ] - [ -0.0042731400000000, 0.0015928400000000, -0.0000288900000000 ] - [ -0.0036580800000000, 0.0010444100000000, 0.0001609800000000 ] - [ -0.0035990200000000, 0.0010156300000000, -0.0000709300000000 ] - [ 0.0018940200000000, 0.0001773100000000, 0.0012522900000000 ] - [ 0.0021892200000000, -0.0002875200000000, 0.0001999500000000 ] - [ 0.0019875900000000, 0.0001097200000000, -0.0012869700000000 ] - [ 0.0012632100000000, -0.0001840500000000, 0.0028352500000000 ] - [ 0.0018939300000000, 0.0002914900000000, 0.0002205700000000 ] - [ 0.0014115900000000, -0.0000937800000000, -0.0028709400000000 ] - [ 0.0065426800000000, -0.0126201600000000, -0.0006797400000000 ] - [ 0.0023586300000000, -0.0044655200000000, 0.0000478200000000 ] - [ 0.0022184600000000, -0.0041678500000000, 0.0001487600000000 ] - [ 0.0072660700000000, 0.0087089800000000, -0.0001264300000000 ] - [ 0.0017419600000000, 0.0029078100000000, 0.0000887500000000 ] - [ 0.0016326000000000, 0.0026739700000000, 0.0002299500000000 ] - [ -0.0160206200000000, 0.0087967800000000, -0.0011520000000000 ] - [ -0.0013546900000000, 0.0005580100000000, 0.0008754400000000 ] - [ -0.0009662000000000, 0.0003726400000000, -0.0007431700000000 ] - [ -0.0325673200000000, -0.0206064400000000, -0.0033453900000000 ] - [ -0.0022614900000000, -0.0005939600000000, 0.0018808500000000 ] - [ -0.0017375700000000, -0.0002734000000000, -0.0014358100000000 ] - [ -0.0090581700000000, -0.0022869800000000, 0.0007350300000000 ] - [ -0.0105920900000000, -0.0009230100000000, 0.0040869500000000 ] - [ -0.0090699900000000, -0.0022893800000000, 0.0068308100000000 ] - [ -0.0039640100000000, -0.0333923800000000, -0.0005101300000000 ] - [ 0.0003562200000000, -0.0031695700000000, -0.0013226400000000 ] - [ 0.0003434700000000, -0.0032183400000000, 0.0008733500000000 ] - [ 0.0011124700000000, 0.0019081100000000, -0.0004536400000000 ] - [ 0.0012502500000000, 0.0018663000000000, -0.0000781900000000 ] - [ 0.0002818200000000, 0.0010218600000000, -0.0002531600000000 ] - [ -0.0004629700000000, -0.0002484200000000, 0.0003513600000000 ] - [ -0.0003815100000000, -0.0001319300000000, 0.0002791300000000 ] - [ -0.0004594400000000, -0.0002468500000000, 0.0001840500000000 ] - [ -0.0017001300000000, 0.0008006400000000, 0.0001926800000000 ] - [ -0.0000894600000000, 0.0003314800000000, 0.0004614100000000 ] - [ -0.0000471800000000, 0.0003238500000000, 0.0001336100000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0156541100000000, -0.0025030400000000, 0.0182293000000000 ] - [ -0.0128075700000000, 0.0005142900000000, -0.0034313800000000 ] - [ -0.0134844000000000, -0.0005351000000000, -0.0044411900000000 ] - [ 0.0022947300000000, 0.0015903100000000, 0.0009945400000000 ] - [ 0.0024271800000000, 0.0000861900000000, -0.0006928500000000 ] - [ 0.0033233200000000, -0.0003650000000000, -0.0004232500000000 ] - [ 0.0027060000000000, 0.0010839200000000, 0.0167029500000000 ] - [ 0.0030243100000000, -0.0002283900000000, -0.0057796800000000 ] - [ 0.0024156900000000, 0.0009507100000000, -0.0064710800000000 ] - [ 0.0008235500000000, -0.0005262100000000, 0.0005161800000000 ] - [ -0.0058518000000000, 0.0001111500000000, 0.0010328600000000 ] - [ -0.0026716900000000, -0.0001629700000000, -0.0014716600000000 ] - [ -0.0025018900000000, -0.0005562600000000, 0.0004529900000000 ] - [ -0.0032542200000000, 0.0007460300000000, 0.0002585900000000 ] - [ -0.0027978500000000, 0.0001051800000000, -0.0005839800000000 ] - [ 0.0140970000000000, 0.0004958400000000, 0.0041518600000000 ] - [ 0.0130129500000000, -0.0001987300000000, 0.0041649200000000 ] - [ 0.0134525500000000, 0.0000600000000000, 0.0035659200000000 ] - [ -0.0135089800000000, 0.0000561900000000, -0.0038274000000000 ] - [ -0.0132281000000000, -0.0000490900000000, -0.0042471700000000 ] - [ -0.0127334100000000, -0.0002914100000000, -0.0037579800000000 ] - [ 0.0030704500000000, -0.0000501500000000, -0.0001302500000000 ] - [ 0.0029147700000000, -0.0001116500000000, -0.0003102400000000 ] - [ 0.0030777100000000, -0.0001167400000000, 0.0003426900000000 ] - [ 0.0029031100000000, 0.0001014400000000, 0.0000342700000000 ] - [ 0.0028972200000000, 0.0001186100000000, -0.0003257000000000 ] - [ 0.0030192900000000, 0.0001518900000000, 0.0001624700000000 ] - [ -0.0022942400000000, -0.0007306300000000, 0.0007098300000000 ] - [ -0.0020149500000000, -0.0004805100000000, -0.0004591100000000 ] - [ -0.0039010300000000, 0.0002164700000000, -0.0002401200000000 ] - [ -0.0013716700000000, 0.0012719200000000, 0.0006795700000000 ] - [ -0.0020761900000000, 0.0005457400000000, -0.0005851200000000 ] - [ -0.0040747200000000, -0.0003615000000000, -0.0000023200000000 ] - [ 0.0121003700000000, 0.0011409500000000, -0.0030985400000000 ] - [ 0.0138740200000000, -0.0004075500000000, -0.0044208100000000 ] - [ 0.0123658200000000, 0.0006275300000000, -0.0042769900000000 ] - [ 0.0167173100000000, 0.0059550700000000, 0.0043419000000000 ] - [ 0.0044907400000000, -0.0077511700000000, 0.0020189200000000 ] - [ 0.0112170800000000, 0.0000095100000000, 0.0000513200000000 ] - [ -0.0013881100000000, -0.0019302500000000, 0.0003071600000000 ] - [ -0.0012125900000000, -0.0013895300000000, 0.0002622600000000 ] - [ -0.0009448700000000, -0.0013716100000000, 0.0002313200000000 ] - [ 0.0004897100000000, -0.0002554800000000, -0.0047238300000000 ] - [ -0.0018097500000000, 0.0018689500000000, 0.0004780400000000 ] - [ -0.0000774900000000, 0.0007192200000000, 0.0005038800000000 ] - [ 0.0051922700000000, 0.0068294600000000, -0.0348931800000000 ] - [ -0.0002473200000000, -0.0008855800000000, 0.0004145000000000 ] - [ -0.0003608600000000, -0.0009213500000000, 0.0004321100000000 ] - [ 0.0012290200000000, -0.0010425500000000, -0.0024087800000000 ] - [ 0.0001756100000000, -0.0000240700000000, 0.0001574600000000 ] - [ -0.0009016100000000, 0.0017981000000000, 0.0001589300000000 ] - [ -0.0088748600000000, -0.0067998100000000, 0.0068140200000000 ] - [ 0.0029000600000000, 0.0082776600000000, 0.0059539400000000 ] - [ -0.0030210900000000, 0.0007164600000000, 0.0029259000000000 ] - [ -0.0028525900000000, -0.0007886200000000, -0.0005888800000000 ] - [ -0.0028946000000000, -0.0007591700000000, -0.0001435600000000 ] - [ -0.0029338900000000, -0.0007213500000000, 0.0010038200000000 ] - [ 0.0023832200000000, -0.0006831300000000, -0.0031772800000000 ] - [ 0.0035682300000000, -0.0008834400000000, 0.0007684500000000 ] - [ 0.0021990100000000, -0.0004893700000000, 0.0008989900000000 ] - [ 0.0030806600000000, 0.0006930400000000, -0.0006278100000000 ] - [ 0.0030968800000000, 0.0006815100000000, 0.0002877000000000 ] - [ 0.0027229600000000, 0.0007386500000000, 0.0002127600000000 ] - [ 0.0001689400000000, -0.0006799200000000, -0.0002390500000000 ] - [ 0.0003120500000000, -0.0007712600000000, -0.0002408900000000 ] - [ 0.0002259900000000, -0.0006985600000000, -0.0001068300000000 ] - [ -0.0006713600000000, 0.0000914900000000, -0.0003043800000000 ] - [ 0.0008648900000000, 0.0009900200000000, -0.0003068300000000 ] - [ 0.0001686400000000, 0.0006247000000000, -0.0000391400000000 ] - [ 0.0016980100000000, -0.0015778800000000, 0.0001380100000000 ] - [ 0.0010316900000000, -0.0013394700000000, 0.0002738100000000 ] - [ 0.0002251200000000, -0.0010185700000000, 0.0001858500000000 ] - [ 0.0012982100000000, 0.0013750700000000, 0.0001755200000000 ] - [ 0.0010992400000000, 0.0013835700000000, 0.0002400400000000 ] - [ 0.0009282100000000, 0.0014181500000000, 0.0001702000000000 ] - [ -0.0113773000000000, -0.0000227900000000, -0.0046397700000000 ] - [ -0.0113250800000000, 0.0000005100000000, -0.0039756300000000 ] - [ -0.0113769200000000, -0.0000306100000000, -0.0039729000000000 ] - [ 0.0112868400000000, 0.0000221400000000, 0.0038504700000000 ] - [ 0.0113411600000000, 0.0000023800000000, 0.0043759900000000 ] - [ 0.0112668000000000, 0.0000288500000000, 0.0043274400000000 ] - [ -0.0013668600000000, -0.0014963900000000, -0.0002140600000000 ] - [ -0.0011966300000000, -0.0014287700000000, -0.0002095100000000 ] - [ -0.0011987900000000, -0.0014222500000000, -0.0001557600000000 ] - [ -0.0013437100000000, 0.0014407500000000, -0.0002053600000000 ] - [ -0.0010877600000000, 0.0013875800000000, -0.0002186400000000 ] - [ -0.0011818700000000, 0.0014059200000000, -0.0001560900000000 ] - [ -0.0002351000000000, -0.0006919500000000, 0.0001850200000000 ] - [ -0.0002613700000000, -0.0007077700000000, 0.0002286300000000 ] - [ -0.0003373000000000, -0.0007527600000000, 0.0001527800000000 ] - [ -0.0002822700000000, 0.0007309600000000, 0.0001971100000000 ] - [ -0.0002786700000000, 0.0007387500000000, 0.0002273900000000 ] - [ -0.0003994100000000, 0.0008774700000000, 0.0001307800000000 ] - [ -0.0033529300000000, -0.0009238100000000, -0.0001973400000000 ] - [ -0.0030615900000000, -0.0007612200000000, 0.0002179100000000 ] - [ -0.0027777600000000, -0.0006560600000000, 0.0000507800000000 ] - [ -0.0030111400000000, 0.0007476100000000, -0.0001995600000000 ] - [ -0.0030609500000000, 0.0007508600000000, 0.0001761200000000 ] - [ -0.0027893200000000, 0.0006559200000000, 0.0001138600000000 ] - [ 0.0028388300000000, -0.0006453100000000, -0.0001234300000000 ] - [ 0.0029117700000000, -0.0006963400000000, 0.0006545400000000 ] - [ 0.0029477900000000, -0.0006910400000000, -0.0004745200000000 ] - [ 0.0027277500000000, 0.0006092900000000, 0.0001805200000000 ] - [ 0.0028939000000000, 0.0006914200000000, 0.0007596500000000 ] - [ 0.0028856600000000, 0.0006737900000000, -0.0008440700000000 ] - [ 0.0006495900000000, -0.0015605000000000, 0.0000213900000000 ] - [ 0.0002471800000000, -0.0008398000000000, 0.0002799600000000 ] - [ 0.0003933000000000, -0.0007349400000000, 0.0001756500000000 ] - [ 0.0004503100000000, 0.0010185900000000, -0.0000677000000000 ] - [ 0.0001619900000000, 0.0007993200000000, 0.0002668400000000 ] - [ 0.0004080500000000, 0.0006554600000000, 0.0002165200000000 ] - [ 0.0003529900000000, -0.0007540900000000, -0.0019531300000000 ] - [ 0.0003663300000000, -0.0010759800000000, 0.0001221700000000 ] - [ 0.0021971500000000, -0.0018296200000000, 0.0001465200000000 ] - [ -0.0027556100000000, -0.0010254300000000, 0.0006100900000000 ] - [ 0.0002100100000000, 0.0008499800000000, 0.0003646800000000 ] - [ 0.0026862700000000, 0.0022635100000000, 0.0004278100000000 ] - [ -0.0112445500000000, -0.0000041800000000, 0.0037262100000000 ] - [ -0.0112959800000000, -0.0000309900000000, 0.0050205100000000 ] - [ -0.0112280200000000, -0.0001973100000000, 0.0036126300000000 ] - [ -0.0002915500000000, -0.0011072800000000, 0.0006753000000000 ] - [ -0.0001557700000000, 0.0006137000000000, 0.0001575000000000 ] - [ -0.0001805800000000, -0.0008461500000000, 0.0002001300000000 ] - [ -0.0005312200000000, 0.0004287800000000, -0.0002107200000000 ] - [ 0.0008925700000000, -0.0002938100000000, -0.0002096000000000 ] - [ 0.0001581200000000, 0.0000331000000000, -0.0001055700000000 ] - [ -0.0001782000000000, -0.0000252500000000, 0.0002689500000000 ] - [ -0.0001760700000000, -0.0000108700000000, 0.0003077000000000 ] - [ -0.0002004900000000, -0.0000351700000000, 0.0002330300000000 ] - [ 0.0000237700000000, 0.0001489100000000, 0.0002237300000000 ] - [ 0.0000764800000000, 0.0000231600000000, 0.0003314700000000 ] - [ 0.0003002200000000, 0.0000118100000000, 0.0002871000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0103703000000000, 0.0033229700000000, -0.0104664400000000 ] - [ -0.0138667500000000, -0.0005162000000000, 0.0112674500000000 ] - [ -0.0131887600000000, 0.0005352600000000, 0.0123859000000000 ] - [ 0.0034088100000000, -0.0017742600000000, -0.0009101200000000 ] - [ 0.0032602700000000, -0.0003108400000000, 0.0007929700000000 ] - [ 0.0023630900000000, 0.0001407300000000, 0.0004915600000000 ] - [ 0.0024477600000000, -0.0020074600000000, -0.0165977400000000 ] - [ 0.0026793800000000, 0.0004603600000000, 0.0058438900000000 ] - [ 0.0032877500000000, -0.0007203000000000, 0.0065773600000000 ] - [ -0.0065387500000000, 0.0002868400000000, -0.0004479500000000 ] - [ 0.0001396500000000, -0.0003514600000000, -0.0009317600000000 ] - [ -0.0030343300000000, -0.0000669700000000, 0.0015558200000000 ] - [ -0.0031900200000000, 0.0007997700000000, -0.0003772700000000 ] - [ -0.0024391100000000, -0.0005027500000000, -0.0001661600000000 ] - [ -0.0028982400000000, 0.0001276000000000, 0.0006664800000000 ] - [ 0.0125656300000000, -0.0004995900000000, 0.0037464000000000 ] - [ 0.0136513700000000, 0.0001946100000000, 0.0037409300000000 ] - [ 0.0132060400000000, -0.0000623300000000, 0.0043369000000000 ] - [ -0.0131630000000000, -0.0000526300000000, -0.0040728200000000 ] - [ -0.0134426300000000, 0.0000510800000000, -0.0036575100000000 ] - [ -0.0139390300000000, 0.0002947200000000, -0.0041486700000000 ] - [ 0.0026149700000000, -0.0001829100000000, 0.0000590200000000 ] - [ 0.0027786400000000, -0.0001188900000000, 0.0002266000000000 ] - [ 0.0026066700000000, -0.0001156000000000, -0.0004402200000000 ] - [ 0.0027891800000000, 0.0001293800000000, -0.0001121800000000 ] - [ 0.0027972900000000, 0.0001121500000000, 0.0002389700000000 ] - [ 0.0026719000000000, 0.0000786900000000, -0.0002522100000000 ] - [ -0.0034188200000000, 0.0005004000000000, -0.0007930200000000 ] - [ -0.0036652600000000, 0.0002417200000000, 0.0003821000000000 ] - [ -0.0017777700000000, -0.0004551200000000, 0.0001478600000000 ] - [ -0.0043994800000000, -0.0010800900000000, -0.0007633600000000 ] - [ -0.0035954200000000, -0.0003027200000000, 0.0005182900000000 ] - [ -0.0015972000000000, 0.0006039300000000, -0.0000999000000000 ] - [ 0.0145347500000000, -0.0011316200000000, -0.0048028800000000 ] - [ 0.0128007900000000, 0.0004001500000000, -0.0034656700000000 ] - [ 0.0143115800000000, -0.0006351900000000, -0.0036467000000000 ] - [ 0.0058481500000000, -0.0060428500000000, -0.0128311500000000 ] - [ 0.0180521200000000, 0.0076362400000000, -0.0102855400000000 ] - [ 0.0114399900000000, -0.0000042600000000, -0.0084243800000000 ] - [ -0.0008809800000000, -0.0008608900000000, 0.0000803700000000 ] - [ -0.0010607800000000, -0.0013952600000000, 0.0001250900000000 ] - [ -0.0013288800000000, -0.0014117800000000, 0.0001600700000000 ] - [ -0.0026739000000000, 0.0029668000000000, 0.0051212300000000 ] - [ -0.0004748400000000, 0.0009202600000000, -0.0000906400000000 ] - [ -0.0022088300000000, 0.0020697500000000, -0.0001138500000000 ] - [ -0.0058600100000000, -0.0078267300000000, 0.0346339400000000 ] - [ -0.0002311700000000, -0.0005015700000000, -0.0008087600000000 ] - [ -0.0001172800000000, -0.0004652400000000, -0.0007910900000000 ] - [ -0.0017320100000000, 0.0024740700000000, 0.0020310000000000 ] - [ -0.0006443700000000, 0.0013975500000000, -0.0005374500000000 ] - [ 0.0004326200000000, -0.0004262800000000, -0.0005360300000000 ] - [ 0.0030964800000000, 0.0083144600000000, -0.0069421600000000 ] - [ -0.0086794700000000, -0.0067626200000000, -0.0059607000000000 ] - [ -0.0028244900000000, 0.0006911300000000, -0.0029902300000000 ] - [ -0.0030011000000000, -0.0006294900000000, 0.0005500300000000 ] - [ -0.0029579900000000, -0.0006591400000000, 0.0000546900000000 ] - [ -0.0029173700000000, -0.0006905400000000, -0.0010664300000000 ] - [ 0.0034273300000000, -0.0007267400000000, 0.0031146500000000 ] - [ 0.0022896500000000, -0.0005303700000000, -0.0008357500000000 ] - [ 0.0036597400000000, -0.0009244900000000, -0.0009583100000000 ] - [ 0.0027617400000000, 0.0007143800000000, 0.0005625700000000 ] - [ 0.0027568000000000, 0.0007296100000000, -0.0003563100000000 ] - [ 0.0031305600000000, 0.0006722800000000, -0.0002730800000000 ] - [ 0.0003116700000000, -0.0007128000000000, -0.0001397800000000 ] - [ 0.0001674800000000, -0.0006208700000000, -0.0001416700000000 ] - [ 0.0002557800000000, -0.0006930400000000, -0.0002725100000000 ] - [ 0.0011577600000000, 0.0013044800000000, -0.0000729900000000 ] - [ -0.0003790100000000, 0.0004061500000000, -0.0000755400000000 ] - [ 0.0003165200000000, 0.0007694000000000, -0.0003394300000000 ] - [ 0.0005764600000000, -0.0012052100000000, 0.0002490600000000 ] - [ 0.0012447900000000, -0.0014452700000000, 0.0001155000000000 ] - [ 0.0020492800000000, -0.0017638100000000, 0.0002024700000000 ] - [ 0.0009730700000000, 0.0014066700000000, 0.0002113500000000 ] - [ 0.0011749900000000, 0.0014001200000000, 0.0001487400000000 ] - [ 0.0013437700000000, 0.0013626800000000, 0.0002173300000000 ] - [ -0.0112786400000000, 0.0000236100000000, -0.0037401200000000 ] - [ -0.0113304400000000, 0.0000000600000000, -0.0044060100000000 ] - [ -0.0112781000000000, 0.0000308400000000, -0.0044031200000000 ] - [ 0.0113696800000000, -0.0000226500000000, 0.0045279700000000 ] - [ 0.0113151600000000, -0.0000025700000000, 0.0040013600000000 ] - [ 0.0113898100000000, -0.0000287200000000, 0.0040546700000000 ] - [ -0.0009002200000000, -0.0012841400000000, -0.0001738500000000 ] - [ -0.0010700100000000, -0.0013518400000000, -0.0001807800000000 ] - [ -0.0010696800000000, -0.0013586500000000, -0.0002311200000000 ] - [ -0.0009241100000000, 0.0013411000000000, -0.0001839500000000 ] - [ -0.0011799700000000, 0.0013941500000000, -0.0001715100000000 ] - [ -0.0010855700000000, 0.0013745400000000, -0.0002309400000000 ] - [ -0.0002444800000000, -0.0006978800000000, 0.0001936100000000 ] - [ -0.0002185400000000, -0.0006814800000000, 0.0001516500000000 ] - [ -0.0001412100000000, -0.0006357900000000, 0.0002265300000000 ] - [ -0.0001949600000000, 0.0006565200000000, 0.0001812500000000 ] - [ -0.0002004600000000, 0.0006498700000000, 0.0001536600000000 ] - [ -0.0000779200000000, 0.0005091800000000, 0.0002496500000000 ] - [ -0.0024773400000000, -0.0004788000000000, 0.0002602300000000 ] - [ -0.0027923500000000, -0.0006514600000000, -0.0001588500000000 ] - [ -0.0030757600000000, -0.0007574300000000, 0.0000195600000000 ] - [ -0.0028363200000000, 0.0006637400000000, 0.0002619900000000 ] - [ -0.0027930700000000, 0.0006626900000000, -0.0001154300000000 ] - [ -0.0030649000000000, 0.0007573400000000, -0.0000477000000000 ] - [ 0.0030131900000000, -0.0007670700000000, 0.0001753600000000 ] - [ 0.0029390300000000, -0.0007152000000000, -0.0005894900000000 ] - [ 0.0029048500000000, -0.0007218900000000, 0.0005501100000000 ] - [ 0.0031279500000000, 0.0008043400000000, -0.0001486900000000 ] - [ 0.0029575500000000, 0.0007206300000000, -0.0006959100000000 ] - [ 0.0029710600000000, 0.0007411400000000, 0.0009372500000000 ] - [ -0.0001702200000000, 0.0001847300000000, 0.0003553800000000 ] - [ 0.0002327700000000, -0.0005533800000000, 0.0000977200000000 ] - [ 0.0000867800000000, -0.0006567900000000, 0.0002066400000000 ] - [ 0.0000470900000000, 0.0003790200000000, 0.0004448700000000 ] - [ 0.0003189300000000, 0.0005946300000000, 0.0001126900000000 ] - [ 0.0000728500000000, 0.0007364900000000, 0.0001647800000000 ] - [ 0.0019523200000000, -0.0020454900000000, 0.0015639100000000 ] - [ 0.0018894400000000, -0.0016986000000000, -0.0005097100000000 ] - [ 0.0000587100000000, -0.0009446800000000, -0.0005333800000000 ] - [ 0.0052137400000000, 0.0039238800000000, -0.0009833400000000 ] - [ 0.0020313000000000, 0.0019160400000000, -0.0007457200000000 ] - [ -0.0004439000000000, 0.0005033900000000, -0.0008190700000000 ] - [ -0.0114097300000000, 0.0000041800000000, 0.0046313100000000 ] - [ -0.0113619500000000, 0.0000306200000000, 0.0033606800000000 ] - [ -0.0114264000000000, 0.0001972600000000, 0.0047893700000000 ] - [ -0.0000671900000000, 0.0009674200000000, -0.0012179200000000 ] - [ -0.0001845600000000, -0.0006020800000000, -0.0006953400000000 ] - [ -0.0001601100000000, 0.0008586200000000, -0.0007408100000000 ] - [ 0.0008810400000000, -0.0004331500000000, -0.0003281500000000 ] - [ -0.0005429200000000, 0.0002885100000000, -0.0003291600000000 ] - [ 0.0001860000000000, -0.0000340400000000, -0.0004321400000000 ] - [ -0.0001628400000000, 0.0000256800000000, 0.0002676900000000 ] - [ -0.0001657000000000, 0.0000106900000000, 0.0002312400000000 ] - [ -0.0001406100000000, 0.0000348600000000, 0.0003056300000000 ] - [ 0.0003238500000000, -0.0001569500000000, 0.0003142300000000 ] - [ 0.0002626500000000, -0.0000232900000000, 0.0002070700000000 ] - [ 0.0000394600000000, -0.0000119600000000, 0.0002539400000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0181377100000000, -0.0059368500000000, 0.0053340900000000 ] - [ -0.0143152800000000, -0.0014627400000000, 0.0042001000000000 ] - [ -0.0177976600000000, -0.0057257200000000, 0.0027574800000000 ] - [ 0.0063267400000000, 0.0004317000000000, -0.0002328300000000 ] - [ 0.0049786600000000, 0.0006149100000000, 0.0000557300000000 ] - [ 0.0062766400000000, 0.0003310200000000, 0.0002853800000000 ] - [ 0.0372183700000000, -0.0065751400000000, -0.0159559000000000 ] - [ 0.0021427600000000, -0.0000173400000000, 0.0002027000000000 ] - [ 0.0363954800000000, -0.0059379900000000, 0.0152855200000000 ] - [ -0.0134044900000000, 0.0066171800000000, 0.0007877300000000 ] - [ 0.0010980700000000, -0.0019227400000000, -0.0080731100000000 ] - [ 0.0011075400000000, -0.0018709200000000, 0.0082308800000000 ] - [ 0.0012442400000000, 0.0011585800000000, 0.0000363600000000 ] - [ -0.0008032800000000, 0.0006758500000000, -0.0007536100000000 ] - [ -0.0008155500000000, 0.0006927800000000, 0.0008622700000000 ] - [ 0.0048823700000000, -0.0094642000000000, 0.0037488300000000 ] - [ 0.0127013600000000, -0.0009292800000000, 0.0016412500000000 ] - [ 0.0128008800000000, -0.0009273300000000, 0.0059175300000000 ] - [ -0.0148239100000000, 0.0007587900000000, -0.0058599500000000 ] - [ -0.0146435500000000, 0.0006894200000000, -0.0021302700000000 ] - [ -0.0212646500000000, 0.0068989400000000, -0.0044430000000000 ] - [ 0.0006763500000000, -0.0000920000000000, -0.0004338300000000 ] - [ 0.0007340000000000, -0.0001084700000000, 0.0003338600000000 ] - [ -0.0009926900000000, 0.0002197600000000, -0.0000440300000000 ] - [ 0.0005622100000000, 0.0001163000000000, -0.0005390700000000 ] - [ 0.0006098100000000, 0.0001286600000000, 0.0004456300000000 ] - [ -0.0022332000000000, 0.0001462000000000, -0.0000240100000000 ] - [ -0.0064815500000000, -0.0002183200000000, -0.0001597200000000 ] - [ -0.0052537100000000, -0.0001242700000000, -0.0000224400000000 ] - [ -0.0064051100000000, -0.0001649600000000, 0.0000540500000000 ] - [ -0.0058365200000000, 0.0001951200000000, -0.0001953900000000 ] - [ -0.0051407200000000, 0.0001225500000000, -0.0000258500000000 ] - [ -0.0057766900000000, 0.0001187400000000, 0.0000887400000000 ] - [ 0.0086871200000000, 0.0036835300000000, -0.0026239700000000 ] - [ 0.0112534800000000, 0.0013693500000000, -0.0037333000000000 ] - [ 0.0090043200000000, 0.0034892400000000, -0.0047119700000000 ] - [ 0.0123658900000000, 0.0010577400000000, -0.0039922600000000 ] - [ 0.0120031900000000, 0.0005708300000000, -0.0058199200000000 ] - [ 0.0118752900000000, 0.0004813900000000, -0.0028808600000000 ] - [ -0.0023661000000000, -0.0022758500000000, 0.0000719600000000 ] - [ -0.0018567500000000, -0.0019102000000000, 0.0001888700000000 ] - [ -0.0022974900000000, -0.0022034700000000, 0.0002739100000000 ] - [ 0.0029682000000000, -0.0010197600000000, -0.0068580500000000 ] - [ 0.0001411700000000, 0.0005164900000000, 0.0002064600000000 ] - [ 0.0024468000000000, -0.0007320100000000, 0.0066300400000000 ] - [ 0.0040119500000000, 0.0091991400000000, -0.0061733700000000 ] - [ 0.0002440600000000, 0.0006964100000000, -0.0002881600000000 ] - [ 0.0038738600000000, 0.0090127800000000, 0.0055964600000000 ] - [ -0.0016044800000000, 0.0024320300000000, -0.0001164900000000 ] - [ -0.0010660100000000, 0.0016133600000000, -0.0001978900000000 ] - [ -0.0016482300000000, 0.0024978600000000, -0.0001564100000000 ] - [ -0.0900801300000000, 0.0092652100000000, 0.0010718100000000 ] - [ -0.0096495900000000, 0.0025805400000000, -0.0118338900000000 ] - [ -0.0096491900000000, 0.0025406100000000, 0.0115851700000000 ] - [ -0.0048533600000000, -0.0013395200000000, 0.0000169600000000 ] - [ -0.0040741800000000, -0.0011708900000000, -0.0000481500000000 ] - [ -0.0040747400000000, -0.0011711200000000, -0.0000078100000000 ] - [ 0.0061508900000000, -0.0053856600000000, 0.0199776100000000 ] - [ -0.0009882900000000, 0.0007012600000000, -0.0000975900000000 ] - [ 0.0061514800000000, -0.0054675700000000, -0.0201670800000000 ] - [ 0.0014879500000000, 0.0000791400000000, 0.0011375800000000 ] - [ 0.0017830000000000, 0.0002662100000000, -0.0000580400000000 ] - [ 0.0014876900000000, 0.0000777100000000, -0.0012291800000000 ] - [ -0.0017643200000000, 0.0023645800000000, -0.0003510300000000 ] - [ -0.0004361400000000, -0.0000429200000000, 0.0000142600000000 ] - [ -0.0004490900000000, -0.0000180100000000, -0.0003602200000000 ] - [ 0.0196245900000000, 0.0123298800000000, 0.0003365800000000 ] - [ 0.0002121200000000, 0.0016220200000000, 0.0005421100000000 ] - [ 0.0001921300000000, 0.0015598600000000, -0.0008301900000000 ] - [ 0.0009762500000000, -0.0014426000000000, 0.0005775900000000 ] - [ 0.0009926500000000, -0.0014475600000000, -0.0002508800000000 ] - [ 0.0244844700000000, -0.0129379400000000, -0.0003990900000000 ] - [ 0.0004379900000000, 0.0009754600000000, 0.0003340300000000 ] - [ 0.0004658600000000, 0.0009848800000000, 0.0000393500000000 ] - [ 0.0001446200000000, 0.0001919100000000, 0.0002284100000000 ] - [ -0.0107736200000000, 0.0005143800000000, -0.0013676500000000 ] - [ -0.0110851600000000, 0.0001280400000000, -0.0040594300000000 ] - [ -0.0108926500000000, 0.0004998200000000, -0.0067854300000000 ] - [ 0.0120492100000000, -0.0006161500000000, 0.0066102700000000 ] - [ 0.0114698600000000, -0.0002142700000000, 0.0042247000000000 ] - [ 0.0119713800000000, -0.0005732800000000, 0.0019671500000000 ] - [ 0.0015232700000000, -0.0002025000000000, -0.0003772200000000 ] - [ -0.0000577400000000, -0.0008771600000000, -0.0000274600000000 ] - [ -0.0000671200000000, -0.0008817300000000, -0.0003374900000000 ] - [ 0.0026259800000000, 0.0004222800000000, -0.0003190300000000 ] - [ -0.0000871000000000, 0.0009943900000000, -0.0000316300000000 ] - [ -0.0000877500000000, 0.0009980100000000, -0.0003408200000000 ] - [ 0.0005764000000000, 0.0000378100000000, 0.0003242800000000 ] - [ 0.0005304300000000, -0.0000207800000000, 0.0000514000000000 ] - [ 0.0018166700000000, 0.0006576900000000, 0.0002773300000000 ] - [ 0.0006060600000000, -0.0002107400000000, 0.0003249100000000 ] - [ 0.0005508000000000, -0.0001342200000000, 0.0000404500000000 ] - [ 0.0024508400000000, -0.0025793400000000, 0.0006305300000000 ] - [ -0.0016992500000000, -0.0003544200000000, 0.0007002200000000 ] - [ -0.0019290000000000, -0.0004295600000000, 0.0000674700000000 ] - [ -0.0017181800000000, -0.0003665800000000, -0.0006174700000000 ] - [ -0.0015905000000000, 0.0003473000000000, 0.0008467000000000 ] - [ -0.0018949000000000, 0.0004226700000000, 0.0000579400000000 ] - [ -0.0016176400000000, 0.0003611500000000, -0.0007691000000000 ] - [ 0.0040040800000000, -0.0009943300000000, -0.0001175900000000 ] - [ 0.0039875000000000, -0.0009888800000000, 0.0001313500000000 ] - [ 0.0045685800000000, -0.0011096000000000, 0.0000411800000000 ] - [ 0.0039535300000000, 0.0009902000000000, -0.0000401800000000 ] - [ 0.0039337700000000, 0.0009846000000000, 0.0000509700000000 ] - [ 0.0043772000000000, 0.0010891400000000, 0.0000385100000000 ] - [ 0.0016684400000000, -0.0023572100000000, -0.0000115000000000 ] - [ 0.0011768400000000, -0.0017266500000000, 0.0001583200000000 ] - [ 0.0015659400000000, -0.0022097600000000, 0.0001472400000000 ] - [ 0.0016940300000000, 0.0017306200000000, 0.0001021000000000 ] - [ 0.0011217300000000, 0.0014331500000000, 0.0001768700000000 ] - [ 0.0016026100000000, 0.0016367700000000, 0.0002109600000000 ] - [ 0.0031268800000000, -0.0019694000000000, -0.0002634000000000 ] - [ 0.0023706500000000, -0.0018323600000000, -0.0001960700000000 ] - [ 0.0031279800000000, -0.0019830500000000, -0.0000351300000000 ] - [ 0.0029800700000000, 0.0023517600000000, -0.0001882100000000 ] - [ 0.0024337300000000, 0.0020324000000000, -0.0002120700000000 ] - [ 0.0030080000000000, 0.0023684100000000, -0.0000389500000000 ] - [ -0.0106743000000000, -0.0006066800000000, 0.0032536600000000 ] - [ -0.0107219400000000, -0.0005893900000000, 0.0048133500000000 ] - [ -0.0103920300000000, -0.0008847500000000, 0.0038517300000000 ] - [ -0.0024451900000000, -0.0010145500000000, 0.0001320900000000 ] - [ -0.0004778700000000, -0.0010083000000000, -0.0002695700000000 ] - [ -0.0024674400000000, -0.0009117500000000, -0.0006546500000000 ] - [ -0.0005405900000000, -0.0031584500000000, -0.0002422100000000 ] - [ -0.0003052900000000, -0.0006715100000000, 0.0001934900000000 ] - [ -0.0002993300000000, -0.0006916600000000, -0.0007585800000000 ] - [ 0.0001582700000000, 0.0000026900000000, 0.0003152000000000 ] - [ 0.0001532800000000, 0.0000069400000000, 0.0002207300000000 ] - [ 0.0005863600000000, 0.0000426300000000, 0.0002635500000000 ] - [ 0.0006571300000000, 0.0000359600000000, 0.0003003900000000 ] - [ 0.0005056200000000, 0.0000142600000000, 0.0002700600000000 ] - [ 0.0006533700000000, 0.0000333700000000, 0.0002472700000000 ]- atom: 52 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0085802300000000, 0.0058941400000000, 0.0025815000000000 ] - [ -0.0123664000000000, 0.0014545300000000, 0.0037046800000000 ] - [ -0.0089212400000000, 0.0056854000000000, 0.0051337500000000 ] - [ -0.0006202200000000, -0.0006270200000000, 0.0003202600000000 ] - [ 0.0007271900000000, -0.0008422600000000, 0.0000283500000000 ] - [ -0.0005707300000000, -0.0005262400000000, -0.0002025700000000 ] - [ -0.0312310000000000, 0.0067877400000000, 0.0164514300000000 ] - [ 0.0035379200000000, 0.0002482800000000, -0.0001161000000000 ] - [ -0.0304161300000000, 0.0061556100000000, -0.0155982200000000 ] - [ 0.0085644500000000, -0.0075472800000000, -0.0006935800000000 ] - [ -0.0067584600000000, 0.0016816900000000, 0.0081374700000000 ] - [ -0.0067681500000000, 0.0016307600000000, -0.0081238600000000 ] - [ -0.0068831300000000, -0.0009323600000000, 0.0000486400000000 ] - [ -0.0048706100000000, -0.0004411200000000, 0.0008305600000000 ] - [ -0.0048552400000000, -0.0004580600000000, -0.0007720000000000 ] - [ 0.0216965900000000, 0.0093406000000000, 0.0041507300000000 ] - [ 0.0139744500000000, 0.0009282700000000, 0.0062326500000000 ] - [ 0.0138754400000000, 0.0009263300000000, 0.0020092900000000 ] - [ -0.0118446400000000, -0.0007566700000000, -0.0020639100000000 ] - [ -0.0120247600000000, -0.0006883900000000, -0.0057494100000000 ] - [ -0.0054814900000000, -0.0068172700000000, -0.0034666900000000 ] - [ 0.0050021300000000, -0.0001415100000000, 0.0003434800000000 ] - [ 0.0049453200000000, -0.0001247300000000, -0.0004121600000000 ] - [ 0.0066467500000000, -0.0004514400000000, -0.0000397000000000 ] - [ 0.0051182300000000, 0.0001172900000000, 0.0004476600000000 ] - [ 0.0050705800000000, 0.0001046200000000, -0.0005239900000000 ] - [ 0.0078733900000000, 0.0000893300000000, -0.0000596000000000 ] - [ 0.0007564200000000, -0.0000102600000000, 0.0000723900000000 ] - [ -0.0004624000000000, -0.0001070500000000, -0.0000620300000000 ] - [ 0.0006801500000000, -0.0000639100000000, -0.0001344100000000 ] - [ 0.0001121200000000, 0.0000359700000000, 0.0001075600000000 ] - [ -0.0005753300000000, 0.0001090100000000, -0.0000592500000000 ] - [ 0.0000548700000000, 0.0001122400000000, -0.0001698300000000 ] - [ 0.0179398500000000, -0.0036659200000000, -0.0052748300000000 ] - [ 0.0153958400000000, -0.0013626000000000, -0.0041689900000000 ] - [ 0.0176298000000000, -0.0034771000000000, -0.0031972500000000 ] - [ 0.0103005500000000, -0.0010516200000000, -0.0043889400000000 ] - [ 0.0106572500000000, -0.0005647300000000, -0.0025744100000000 ] - [ 0.0107838000000000, -0.0004759000000000, -0.0054876900000000 ] - [ 0.0000973200000000, -0.0005109100000000, 0.0003155900000000 ] - [ -0.0004155400000000, -0.0008734400000000, 0.0002005000000000 ] - [ 0.0000291100000000, -0.0005822700000000, 0.0001161100000000 ] - [ -0.0052517300000000, 0.0038167500000000, 0.0073231100000000 ] - [ -0.0024036100000000, 0.0022591800000000, 0.0001827500000000 ] - [ -0.0047254200000000, 0.0035243600000000, -0.0063092100000000 ] - [ -0.0044360900000000, -0.0105552600000000, 0.0057976700000000 ] - [ -0.0007216800000000, -0.0020756100000000, -0.0000917500000000 ] - [ -0.0042977100000000, -0.0103744300000000, -0.0059825200000000 ] - [ 0.0011159000000000, -0.0010348100000000, -0.0002652200000000 ] - [ 0.0005810900000000, -0.0002206000000000, -0.0001815700000000 ] - [ 0.0011605800000000, -0.0011036800000000, -0.0002198500000000 ] - [ 0.0823019000000000, -0.0070748500000000, -0.0011723400000000 ] - [ 0.0037484800000000, -0.0011590800000000, 0.0117507300000000 ] - [ 0.0037490700000000, -0.0011194600000000, -0.0116360300000000 ] - [ -0.0010180000000000, -0.0000857700000000, -0.0000803000000000 ] - [ -0.0017875800000000, -0.0002490800000000, -0.0000216100000000 ] - [ -0.0017879400000000, -0.0002490600000000, -0.0000487700000000 ] - [ -0.0003448700000000, 0.0039421200000000, -0.0198850700000000 ] - [ 0.0068199100000000, -0.0021070000000000, 0.0000334900000000 ] - [ -0.0003443400000000, 0.0040234200000000, 0.0199463000000000 ] - [ 0.0043493700000000, 0.0013282600000000, -0.0011894400000000 ] - [ 0.0040581200000000, 0.0011423800000000, -0.0000073700000000 ] - [ 0.0043490400000000, 0.0013286600000000, 0.0011521700000000 ] - [ 0.0022094200000000, -0.0037046800000000, -0.0000321500000000 ] - [ 0.0009084900000000, -0.0013387600000000, -0.0003928700000000 ] - [ 0.0009221700000000, -0.0013651000000000, -0.0000203000000000 ] - [ -0.0187481000000000, -0.0106900500000000, -0.0007076200000000 ] - [ 0.0002595300000000, -0.0002374100000000, -0.0009182500000000 ] - [ 0.0002798400000000, -0.0001752400000000, 0.0004482600000000 ] - [ 0.0012804200000000, -0.0013329900000000, -0.0001878800000000 ] - [ 0.0012659900000000, -0.0013289800000000, 0.0006388600000000 ] - [ -0.0217828500000000, 0.0100064400000000, 0.0007790600000000 ] - [ 0.0018235200000000, 0.0018018200000000, 0.0000552300000000 ] - [ 0.0017980900000000, 0.0017938700000000, 0.0003479700000000 ] - [ 0.0021122200000000, 0.0025766900000000, 0.0001593900000000 ] - [ -0.0118793600000000, -0.0005099600000000, -0.0069754700000000 ] - [ -0.0115692900000000, -0.0001277600000000, -0.0043188300000000 ] - [ -0.0117616700000000, -0.0004956500000000, -0.0016284700000000 ] - [ 0.0106084300000000, 0.0006110300000000, 0.0017986900000000 ] - [ 0.0111822000000000, 0.0002137000000000, 0.0041563700000000 ] - [ 0.0106853600000000, 0.0005690100000000, 0.0063839800000000 ] - [ -0.0037670200000000, -0.0025673600000000, -0.0000137100000000 ] - [ -0.0022092200000000, -0.0019015600000000, -0.0003588600000000 ] - [ -0.0021988600000000, -0.0018960200000000, -0.0000507800000000 ] - [ -0.0048507800000000, 0.0023474800000000, -0.0000720100000000 ] - [ -0.0021787100000000, 0.0017839900000000, -0.0003550800000000 ] - [ -0.0021774100000000, 0.0017795700000000, -0.0000479000000000 ] - [ -0.0010541700000000, -0.0014216700000000, 0.0000567800000000 ] - [ -0.0010086100000000, -0.0013633700000000, 0.0003268900000000 ] - [ -0.0022772900000000, -0.0020336800000000, 0.0001025800000000 ] - [ -0.0010834000000000, 0.0015947600000000, 0.0000560800000000 ] - [ -0.0010281900000000, 0.0015180700000000, 0.0003382600000000 ] - [ -0.0029026300000000, 0.0039333700000000, -0.0002448900000000 ] - [ -0.0041417700000000, -0.0010539800000000, -0.0006276200000000 ] - [ -0.0039149800000000, -0.0009795400000000, -0.0000017000000000 ] - [ -0.0041235000000000, -0.0010423200000000, 0.0006734700000000 ] - [ -0.0042511700000000, 0.0010612800000000, -0.0007717000000000 ] - [ -0.0039496500000000, 0.0009871700000000, 0.0000062600000000 ] - [ -0.0042243500000000, 0.0010476400000000, 0.0008205600000000 ] - [ 0.0018552300000000, -0.0004197300000000, 0.0001827200000000 ] - [ 0.0018720800000000, -0.0004252900000000, -0.0000668900000000 ] - [ 0.0012983400000000, -0.0003065800000000, 0.0000225400000000 ] - [ 0.0019067200000000, 0.0004241600000000, 0.0001035500000000 ] - [ 0.0019256000000000, 0.0004297100000000, 0.0000125200000000 ] - [ 0.0014888500000000, 0.0003274500000000, 0.0000247500000000 ] - [ -0.0011765300000000, 0.0009586400000000, 0.0003887600000000 ] - [ -0.0006884800000000, 0.0003311600000000, 0.0002215200000000 ] - [ -0.0010739700000000, 0.0008111500000000, 0.0002327100000000 ] - [ -0.0012017600000000, -0.0003350000000000, 0.0002766000000000 ] - [ -0.0006331500000000, -0.0000387200000000, 0.0002038800000000 ] - [ -0.0011110200000000, -0.0002424600000000, 0.0001678700000000 ] - [ -0.0008327400000000, -0.0008190200000000, -0.0001262600000000 ] - [ -0.0000881400000000, -0.0009526900000000, -0.0001910800000000 ] - [ -0.0008344600000000, -0.0008054400000000, -0.0003514200000000 ] - [ -0.0006890000000000, 0.0004396600000000, -0.0002024200000000 ] - [ -0.0001502900000000, 0.0007549400000000, -0.0001760900000000 ] - [ -0.0007176100000000, 0.0004234400000000, -0.0003464400000000 ] - [ -0.0119743300000000, 0.0006006100000000, 0.0051218100000000 ] - [ -0.0119280300000000, 0.0005840000000000, 0.0035701900000000 ] - [ -0.0122534000000000, 0.0008786900000000, 0.0045363000000000 ] - [ 0.0021039300000000, 0.0009517100000000, -0.0007124600000000 ] - [ 0.0001353400000000, 0.0010022700000000, -0.0002695100000000 ] - [ 0.0021259700000000, 0.0008491600000000, 0.0001572500000000 ] - [ 0.0008656900000000, 0.0031378000000000, -0.0002955600000000 ] - [ 0.0006428400000000, 0.0006697900000000, -0.0007302300000000 ] - [ 0.0006366000000000, 0.0006912500000000, 0.0002192200000000 ] - [ -0.0004986300000000, -0.0000040500000000, 0.0002234300000000 ] - [ -0.0004935500000000, -0.0000072100000000, 0.0003175000000000 ] - [ -0.0009201400000000, -0.0000428800000000, 0.0002740400000000 ] - [ -0.0003120900000000, -0.0000372700000000, 0.0002383300000000 ] - [ -0.0001624700000000, -0.0000142500000000, 0.0002699900000000 ] - [ -0.0003084800000000, -0.0000330800000000, 0.0002919400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0142647000000000, -0.0021274900000000, 0.0042669400000000 ] - [ -0.0125825200000000, 0.0001462100000000, 0.0038290100000000 ] - [ -0.0143910700000000, -0.0022343200000000, 0.0038119000000000 ] - [ 0.0036466900000000, -0.0066025200000000, -0.0010365800000000 ] - [ 0.0028084300000000, -0.0009108000000000, 0.0000347200000000 ] - [ 0.0037081500000000, -0.0067109900000000, 0.0010773200000000 ] - [ -0.0006737000000000, 0.0173558200000000, -0.0056398300000000 ] - [ 0.0028017300000000, 0.0012956300000000, 0.0000482200000000 ] - [ -0.0004493400000000, 0.0168566300000000, 0.0060350200000000 ] - [ 0.0050351200000000, 0.0062744400000000, -0.0003896900000000 ] - [ -0.0039487000000000, 0.0010436400000000, 0.0034392100000000 ] - [ -0.0040016000000000, 0.0010302900000000, -0.0033373700000000 ] - [ -0.0044945500000000, -0.0039632900000000, 0.0000731300000000 ] - [ -0.0039225600000000, -0.0008269900000000, 0.0001912200000000 ] - [ -0.0039196100000000, -0.0008427200000000, -0.0000966000000000 ] - [ 0.0130419900000000, 0.0007760900000000, 0.0039611000000000 ] - [ 0.0133824500000000, 0.0006894600000000, 0.0040166100000000 ] - [ 0.0133387600000000, 0.0006886300000000, 0.0039655100000000 ] - [ -0.0126582600000000, -0.0006343300000000, -0.0031649200000000 ] - [ -0.0127517200000000, -0.0005989900000000, -0.0046881000000000 ] - [ -0.0093871200000000, -0.0035379100000000, -0.0037253900000000 ] - [ 0.0033901300000000, -0.0003130000000000, 0.0000438300000000 ] - [ 0.0033682700000000, -0.0002967700000000, -0.0001306400000000 ] - [ 0.0036764600000000, -0.0008169600000000, -0.0000215400000000 ] - [ 0.0034611700000000, 0.0002984100000000, 0.0000565600000000 ] - [ 0.0034436000000000, 0.0002882400000000, -0.0001453100000000 ] - [ 0.0038606800000000, 0.0008013800000000, -0.0000278300000000 ] - [ -0.0021453700000000, 0.0004843700000000, 0.0000039100000000 ] - [ -0.0022459100000000, 0.0000742100000000, -0.0000561600000000 ] - [ -0.0022017400000000, 0.0004564700000000, -0.0000884500000000 ] - [ -0.0020762300000000, -0.0003769200000000, -0.0000224500000000 ] - [ -0.0022840400000000, -0.0000744600000000, -0.0000577300000000 ] - [ -0.0021338200000000, -0.0003449400000000, -0.0000653800000000 ] - [ 0.0159598800000000, -0.0004645600000000, -0.0049570400000000 ] - [ 0.0141205300000000, 0.0000540900000000, -0.0040486200000000 ] - [ 0.0158336500000000, -0.0004765500000000, -0.0033143500000000 ] - [ 0.0115317500000000, 0.0000636800000000, -0.0041912500000000 ] - [ 0.0114148300000000, 0.0002286500000000, -0.0047613400000000 ] - [ 0.0113825800000000, 0.0001878700000000, -0.0035061700000000 ] - [ -0.0015726100000000, -0.0008764500000000, 0.0003854100000000 ] - [ -0.0012234800000000, -0.0013520100000000, 0.0001887800000000 ] - [ -0.0016100200000000, -0.0008811300000000, -0.0000153300000000 ] - [ -0.0025809100000000, 0.0004735500000000, 0.0037370800000000 ] - [ -0.0010539400000000, 0.0013577700000000, 0.0001993500000000 ] - [ -0.0023811600000000, 0.0005400100000000, -0.0030234300000000 ] - [ 0.0036907000000000, -0.0009134600000000, -0.0077142600000000 ] - [ -0.0006936900000000, -0.0016229400000000, -0.0001769200000000 ] - [ 0.0040461800000000, -0.0004495100000000, 0.0072977300000000 ] - [ -0.0011794000000000, 0.0028129500000000, -0.0001094800000000 ] - [ -0.0005441300000000, 0.0012553900000000, -0.0001740000000000 ] - [ -0.0012181800000000, 0.0028894000000000, -0.0001399500000000 ] - [ 0.0049356900000000, -0.0472606700000000, -0.0005974700000000 ] - [ -0.0011244600000000, 0.0012489900000000, 0.0029051800000000 ] - [ -0.0010845100000000, 0.0012490000000000, -0.0030428200000000 ] - [ -0.0023024300000000, 0.0008575000000000, -0.0000306800000000 ] - [ -0.0024660000000000, 0.0000840500000000, 0.0008402200000000 ] - [ -0.0024661700000000, 0.0000841900000000, -0.0008980300000000 ] - [ -0.0018192500000000, -0.0015833900000000, -0.0114124300000000 ] - [ 0.0043204200000000, -0.0012552500000000, -0.0000333200000000 ] - [ -0.0017376600000000, -0.0015830000000000, 0.0113860800000000 ] - [ 0.0035498700000000, 0.0013854300000000, -0.0003300300000000 ] - [ 0.0033620700000000, 0.0009729100000000, -0.0000301400000000 ] - [ 0.0035485000000000, 0.0013850400000000, 0.0002745300000000 ] - [ 0.0004718200000000, 0.0000560600000000, -0.0002008100000000 ] - [ 0.0005769600000000, -0.0008147200000000, -0.0001562400000000 ] - [ 0.0005762200000000, -0.0008016500000000, -0.0002143000000000 ] - [ 0.0026109100000000, -0.0037238000000000, -0.0002114100000000 ] - [ -0.0000290700000000, -0.0004196600000000, -0.0004059200000000 ] - [ -0.0000116000000000, -0.0004139300000000, -0.0000144000000000 ] - [ 0.0007775700000000, -0.0011388800000000, 0.0000723200000000 ] - [ 0.0007913600000000, -0.0011479700000000, 0.0003674200000000 ] - [ -0.0101492800000000, 0.0055765300000000, 0.0005194500000000 ] - [ 0.0016794600000000, 0.0017731900000000, 0.0001356500000000 ] - [ 0.0016778500000000, 0.0017723200000000, 0.0002478800000000 ] - [ 0.0020802000000000, 0.0027652500000000, 0.0001643300000000 ] - [ -0.0113234000000000, -0.0001375600000000, -0.0043347700000000 ] - [ -0.0113631900000000, -0.0000965200000000, -0.0042142100000000 ] - [ -0.0113127500000000, -0.0001283600000000, -0.0040742000000000 ] - [ 0.0109773300000000, 0.0003329600000000, 0.0031698300000000 ] - [ 0.0112566500000000, 0.0001589000000000, 0.0041706100000000 ] - [ 0.0110189900000000, 0.0003128700000000, 0.0051142800000000 ] - [ -0.0011517600000000, -0.0014039300000000, -0.0001903300000000 ] - [ -0.0012901000000000, -0.0014665300000000, -0.0002041100000000 ] - [ -0.0012858500000000, -0.0014647800000000, -0.0001781200000000 ] - [ -0.0012223000000000, 0.0012700900000000, -0.0001956800000000 ] - [ -0.0013000600000000, 0.0014042300000000, -0.0002096300000000 ] - [ -0.0012962600000000, 0.0014001700000000, -0.0001768100000000 ] - [ -0.0005702800000000, -0.0010320600000000, 0.0001461100000000 ] - [ -0.0005478400000000, -0.0010032400000000, 0.0002405700000000 ] - [ -0.0012073900000000, -0.0015800300000000, 0.0001478600000000 ] - [ -0.0005986500000000, 0.0011732200000000, 0.0001352100000000 ] - [ -0.0005683400000000, 0.0011309800000000, 0.0002406800000000 ] - [ -0.0014744900000000, 0.0025048800000000, -0.0000318600000000 ] - [ -0.0032735700000000, -0.0007596300000000, -0.0001413000000000 ] - [ -0.0031990600000000, -0.0007627900000000, 0.0000237100000000 ] - [ -0.0032615100000000, -0.0007526600000000, 0.0002012700000000 ] - [ -0.0032812600000000, 0.0007504600000000, -0.0001372500000000 ] - [ -0.0032066000000000, 0.0007641000000000, 0.0000273300000000 ] - [ -0.0032674600000000, 0.0007462300000000, 0.0001961300000000 ] - [ 0.0026399700000000, -0.0006583900000000, 0.0000628700000000 ] - [ 0.0026456300000000, -0.0006595800000000, 0.0000333100000000 ] - [ 0.0025272200000000, -0.0006691000000000, 0.0000109300000000 ] - [ 0.0026445500000000, 0.0006591800000000, 0.0000892900000000 ] - [ 0.0026498700000000, 0.0006585600000000, 0.0000095400000000 ] - [ 0.0025478600000000, 0.0006624800000000, 0.0000112100000000 ] - [ -0.0004966700000000, 0.0001899800000000, 0.0002859900000000 ] - [ -0.0001135100000000, -0.0002848000000000, 0.0002045900000000 ] - [ -0.0004438400000000, 0.0001013800000000, 0.0002235700000000 ] - [ -0.0005483100000000, -0.0001869300000000, 0.0002501900000000 ] - [ -0.0001239100000000, 0.0002791700000000, 0.0001998700000000 ] - [ -0.0004954500000000, -0.0001211500000000, 0.0002051900000000 ] - [ 0.0011592500000000, -0.0014294100000000, -0.0002170400000000 ] - [ 0.0009120100000000, -0.0013349000000000, -0.0002009000000000 ] - [ 0.0011990800000000, -0.0014385300000000, -0.0001805400000000 ] - [ 0.0010466000000000, 0.0014255300000000, -0.0001939700000000 ] - [ 0.0009514900000000, 0.0013508200000000, -0.0002042000000000 ] - [ 0.0010650100000000, 0.0014498400000000, -0.0001999600000000 ] - [ -0.0115218200000000, -0.0000271100000000, 0.0046520500000000 ] - [ -0.0114961200000000, -0.0000068600000000, 0.0038438700000000 ] - [ -0.0119075600000000, 0.0000404200000000, 0.0044593600000000 ] - [ -0.0005658800000000, 0.0073402500000000, 0.0064432800000000 ] - [ -0.0001846100000000, 0.0001713900000000, -0.0002784200000000 ] - [ -0.0005167400000000, 0.0076634100000000, -0.0072105600000000 ] - [ -0.0008040800000000, 0.0031809700000000, -0.0002792300000000 ] - [ 0.0002552300000000, 0.0004790200000000, -0.0004111500000000 ] - [ 0.0002543900000000, 0.0004784800000000, -0.0001210900000000 ] - [ -0.0002651900000000, -0.0000006200000000, 0.0002618400000000 ] - [ -0.0002620500000000, -0.0000019400000000, 0.0002797800000000 ] - [ -0.0003241400000000, 0.0000555800000000, 0.0002668800000000 ] - [ 0.0000572200000000, 0.0000182000000000, 0.0002578200000000 ] - [ 0.0000778300000000, -0.0000028800000000, 0.0002704700000000 ] - [ 0.0000636900000000, 0.0000157100000000, 0.0002783400000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0124031700000000, 0.0021126300000000, 0.0036331500000000 ] - [ -0.0140979300000000, -0.0001645400000000, 0.0040730600000000 ] - [ -0.0122710000000000, 0.0022254400000000, 0.0040777200000000 ] - [ 0.0020718100000000, 0.0063486700000000, 0.0011087500000000 ] - [ 0.0028977100000000, 0.0006863700000000, 0.0000487900000000 ] - [ 0.0020101800000000, 0.0064548600000000, -0.0009788700000000 ] - [ 0.0066241700000000, -0.0171640000000000, 0.0051687600000000 ] - [ 0.0028660600000000, -0.0010641300000000, 0.0000367400000000 ] - [ 0.0063892300000000, -0.0166534000000000, -0.0054136900000000 ] - [ -0.0105881500000000, -0.0065226400000000, 0.0004782200000000 ] - [ -0.0017157400000000, -0.0012858600000000, -0.0033764100000000 ] - [ -0.0016616800000000, -0.0012707900000000, 0.0034434600000000 ] - [ -0.0011950100000000, 0.0042275600000000, 0.0000119300000000 ] - [ -0.0017716000000000, 0.0010575500000000, -0.0001166600000000 ] - [ -0.0017720500000000, 0.0010717300000000, 0.0001881500000000 ] - [ 0.0135997000000000, -0.0007877500000000, 0.0039419900000000 ] - [ 0.0132862400000000, -0.0006836800000000, 0.0038759200000000 ] - [ 0.0133280200000000, -0.0006827500000000, 0.0039466300000000 ] - [ -0.0140097700000000, 0.0006312300000000, -0.0047460800000000 ] - [ -0.0139162400000000, 0.0005952700000000, -0.0032069100000000 ] - [ -0.0173189000000000, 0.0035554800000000, -0.0041800400000000 ] - [ 0.0022980900000000, 0.0000807800000000, -0.0001308700000000 ] - [ 0.0023196700000000, 0.0000653600000000, 0.0000489400000000 ] - [ 0.0020033800000000, 0.0005865500000000, -0.0000618400000000 ] - [ 0.0022287500000000, -0.0000660000000000, -0.0001422600000000 ] - [ 0.0022455700000000, -0.0000563800000000, 0.0000610900000000 ] - [ 0.0018181100000000, -0.0005702700000000, -0.0000561000000000 ] - [ -0.0035579200000000, -0.0007199800000000, -0.0000878400000000 ] - [ -0.0034568800000000, -0.0003090000000000, -0.0000287900000000 ] - [ -0.0035017800000000, -0.0006911300000000, 0.0000053900000000 ] - [ -0.0036258900000000, 0.0006127700000000, -0.0000630800000000 ] - [ -0.0034169000000000, 0.0003102200000000, -0.0000276500000000 ] - [ -0.0035674600000000, 0.0005798800000000, -0.0000175000000000 ] - [ 0.0106859300000000, 0.0004954300000000, -0.0029450800000000 ] - [ 0.0125321500000000, -0.0000400600000000, -0.0038539000000000 ] - [ 0.0108140900000000, 0.0005049900000000, -0.0045891600000000 ] - [ 0.0111400100000000, -0.0000469100000000, -0.0041772000000000 ] - [ 0.0112436000000000, -0.0002258500000000, -0.0036097100000000 ] - [ 0.0112747500000000, -0.0001842600000000, -0.0048799800000000 ] - [ -0.0007126800000000, -0.0019135300000000, 0.0000026000000000 ] - [ -0.0010533100000000, -0.0014360800000000, 0.0002004600000000 ] - [ -0.0006744500000000, -0.0019072100000000, 0.0004037100000000 ] - [ 0.0003327400000000, 0.0022688200000000, -0.0033405800000000 ] - [ -0.0012002800000000, 0.0014139300000000, 0.0001901000000000 ] - [ 0.0001343400000000, 0.0022035700000000, 0.0034018800000000 ] - [ -0.0042151000000000, -0.0004635100000000, 0.0074000000000000 ] - [ 0.0002264600000000, 0.0002557600000000, -0.0002022700000000 ] - [ -0.0045759500000000, -0.0009374000000000, -0.0077421300000000 ] - [ 0.0006901200000000, -0.0014106900000000, -0.0002685400000000 ] - [ 0.0000603000000000, 0.0001397800000000, -0.0002048500000000 ] - [ 0.0007277700000000, -0.0014869300000000, -0.0002400800000000 ] - [ -0.0113908800000000, 0.0486112000000000, 0.0005598900000000 ] - [ -0.0047844400000000, 0.0001783600000000, -0.0030690000000000 ] - [ -0.0048239800000000, 0.0001783400000000, 0.0030758200000000 ] - [ -0.0035561400000000, -0.0022663300000000, -0.0000331000000000 ] - [ -0.0033881300000000, -0.0014948100000000, -0.0008948400000000 ] - [ -0.0033880300000000, -0.0014947700000000, 0.0008265600000000 ] - [ 0.0076714800000000, 0.0002286200000000, 0.0114060900000000 ] - [ 0.0015124100000000, -0.0001460500000000, -0.0000298600000000 ] - [ 0.0075903300000000, 0.0002289900000000, -0.0115075700000000 ] - [ 0.0022989300000000, 0.0000245700000000, 0.0002763400000000 ] - [ 0.0024860200000000, 0.0004383600000000, -0.0000343900000000 ] - [ 0.0022997700000000, 0.0000242000000000, -0.0003499500000000 ] - [ 0.0000117700000000, -0.0014524000000000, -0.0001794000000000 ] - [ -0.0000958600000000, -0.0005773900000000, -0.0002227200000000 ] - [ -0.0000950600000000, -0.0005900000000000, -0.0001660500000000 ] - [ -0.0021174300000000, 0.0051448000000000, -0.0001677300000000 ] - [ 0.0005020400000000, 0.0018041900000000, 0.0000290800000000 ] - [ 0.0004842300000000, 0.0017970700000000, -0.0003674100000000 ] - [ 0.0014825200000000, -0.0016382300000000, 0.0003169200000000 ] - [ 0.0014697100000000, -0.0016291900000000, 0.0000212600000000 ] - [ 0.0125170300000000, -0.0084408800000000, -0.0001340500000000 ] - [ 0.0005915400000000, 0.0010100400000000, 0.0002527000000000 ] - [ 0.0005947700000000, 0.0010114800000000, 0.0001401300000000 ] - [ 0.0001940400000000, 0.0000056900000000, 0.0002227900000000 ] - [ -0.0113309000000000, 0.0001381700000000, -0.0040350000000000 ] - [ -0.0112925500000000, 0.0000961400000000, -0.0041641000000000 ] - [ -0.0113418600000000, 0.0001284600000000, -0.0043158500000000 ] - [ 0.0116807200000000, -0.0003333600000000, 0.0052200500000000 ] - [ 0.0113984800000000, -0.0001581500000000, 0.0042096000000000 ] - [ 0.0116387400000000, -0.0003127100000000, 0.0032547000000000 ] - [ -0.0011116000000000, -0.0013746700000000, -0.0001990200000000 ] - [ -0.0009793700000000, -0.0013151600000000, -0.0001839800000000 ] - [ -0.0009817700000000, -0.0013155700000000, -0.0002090400000000 ] - [ -0.0010367400000000, 0.0015084700000000, -0.0001944300000000 ] - [ -0.0009675600000000, 0.0013762500000000, -0.0001790100000000 ] - [ -0.0009704900000000, 0.0013789500000000, -0.0002106200000000 ] - [ 0.0000917700000000, -0.0003550900000000, 0.0002338800000000 ] - [ 0.0000694300000000, -0.0003835100000000, 0.0001391500000000 ] - [ 0.0007365400000000, 0.0001981800000000, 0.0002316700000000 ] - [ 0.0001197900000000, 0.0002157100000000, 0.0002447200000000 ] - [ 0.0000898300000000, 0.0002572500000000, 0.0001394200000000 ] - [ 0.0010030300000000, -0.0011273400000000, 0.0004129900000000 ] - [ -0.0025741600000000, -0.0006516600000000, 0.0002072600000000 ] - [ -0.0026494300000000, -0.0006481500000000, 0.0000414200000000 ] - [ -0.0025861000000000, -0.0006588100000000, -0.0001392300000000 ] - [ -0.0025673200000000, 0.0006607700000000, 0.0002032000000000 ] - [ -0.0026422700000000, 0.0006474900000000, 0.0000365900000000 ] - [ -0.0025812100000000, 0.0006650000000000, -0.0001360500000000 ] - [ 0.0032145700000000, -0.0007541800000000, 0.0000018900000000 ] - [ 0.0032092400000000, -0.0007531100000000, 0.0000315600000000 ] - [ 0.0033301500000000, -0.0007444600000000, 0.0000525600000000 ] - [ 0.0032106400000000, 0.0007536700000000, -0.0000257600000000 ] - [ 0.0032049100000000, 0.0007545300000000, 0.0000543200000000 ] - [ 0.0033093700000000, 0.0007520100000000, 0.0000511800000000 ] - [ 0.0009840000000000, -0.0015893800000000, 0.0000907300000000 ] - [ 0.0005998700000000, -0.0011132500000000, 0.0001751300000000 ] - [ 0.0009310600000000, -0.0014999400000000, 0.0001559800000000 ] - [ 0.0010352700000000, 0.0015811700000000, 0.0001282700000000 ] - [ 0.0006095800000000, 0.0011152100000000, 0.0001809600000000 ] - [ 0.0009816300000000, 0.0015134100000000, 0.0001742400000000 ] - [ 0.0011152200000000, -0.0013517000000000, -0.0001746500000000 ] - [ 0.0013612600000000, -0.0014462600000000, -0.0001858700000000 ] - [ 0.0010752600000000, -0.0013429100000000, -0.0002055200000000 ] - [ 0.0012247700000000, 0.0013580200000000, -0.0001962700000000 ] - [ 0.0013204100000000, 0.0014320800000000, -0.0001835800000000 ] - [ 0.0012075900000000, 0.0013342000000000, -0.0001860100000000 ] - [ -0.0111277900000000, 0.0000187400000000, 0.0037233400000000 ] - [ -0.0111544300000000, -0.0000013400000000, 0.0045387100000000 ] - [ -0.0107424700000000, -0.0000508400000000, 0.0039218200000000 ] - [ 0.0002261900000000, -0.0072623000000000, -0.0068819500000000 ] - [ -0.0001573400000000, -0.0001817000000000, -0.0002608200000000 ] - [ 0.0001781800000000, -0.0075785700000000, 0.0065659400000000 ] - [ 0.0011708700000000, -0.0032382800000000, -0.0002588400000000 ] - [ 0.0000856300000000, -0.0004755300000000, -0.0001265800000000 ] - [ 0.0000871800000000, -0.0004742700000000, -0.0004174600000000 ] - [ -0.0000759900000000, -0.0000006700000000, 0.0002762300000000 ] - [ -0.0000790800000000, 0.0000012800000000, 0.0002591400000000 ] - [ -0.0000154500000000, -0.0000573400000000, 0.0002707100000000 ] - [ 0.0002855500000000, -0.0000186300000000, 0.0002803400000000 ] - [ 0.0002642600000000, 0.0000032700000000, 0.0002697300000000 ] - [ 0.0002791400000000, -0.0000153000000000, 0.0002613100000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0057535600000000, 0.0188198400000000, 0.0096150700000000 ] - [ -0.0130529800000000, 0.0000327900000000, -0.0081181200000000 ] - [ -0.0325171500000000, -0.0183674500000000, 0.0098438600000000 ] - [ 0.0009778200000000, -0.0074717500000000, 0.0026559900000000 ] - [ 0.0027511500000000, -0.0001218600000000, -0.0053306200000000 ] - [ 0.0045119100000000, 0.0074821900000000, 0.0025933300000000 ] - [ -0.0163083800000000, 0.0108242900000000, 0.0610802100000000 ] - [ 0.0028278500000000, 0.0002225800000000, -0.0347330300000000 ] - [ 0.0185601400000000, -0.0087612600000000, 0.0503244300000000 ] - [ -0.0016199300000000, -0.0005855100000000, 0.0272469500000000 ] - [ -0.0105665000000000, 0.0018127500000000, -0.0119071800000000 ] - [ 0.0048544100000000, -0.0022781400000000, -0.0121494500000000 ] - [ -0.0029317200000000, 0.0000238800000000, 0.0033662800000000 ] - [ -0.0037248200000000, 0.0008738100000000, -0.0015921800000000 ] - [ -0.0020363600000000, -0.0005874000000000, -0.0016573700000000 ] - [ 0.0135362600000000, 0.0001923300000000, 0.0065615400000000 ] - [ 0.0102723900000000, -0.0021480500000000, 0.0027887300000000 ] - [ 0.0164127100000000, 0.0021670700000000, 0.0025668800000000 ] - [ -0.0154495100000000, 0.0014085800000000, -0.0049268200000000 ] - [ -0.0112501500000000, -0.0013952400000000, -0.0048234300000000 ] - [ -0.0130445900000000, -0.0001732100000000, -0.0019612000000000 ] - [ 0.0027114900000000, -0.0000834100000000, -0.0006327800000000 ] - [ 0.0030882800000000, -0.0001027200000000, -0.0007432600000000 ] - [ 0.0029329200000000, -0.0001743100000000, 0.0012547400000000 ] - [ 0.0026046100000000, 0.0000376600000000, -0.0007774200000000 ] - [ 0.0031964400000000, 0.0001483300000000, -0.0008842700000000 ] - [ 0.0029507200000000, 0.0001623500000000, 0.0015313700000000 ] - [ 0.0016270300000000, 0.0003726500000000, 0.0012332100000000 ] - [ -0.0026845500000000, -0.0000657600000000, -0.0023770800000000 ] - [ -0.0073081700000000, -0.0005979900000000, 0.0010284700000000 ] - [ -0.0001277800000000, -0.0000222800000000, 0.0009226600000000 ] - [ -0.0026585500000000, 0.0000795000000000, -0.0017480300000000 ] - [ -0.0055748600000000, 0.0002586500000000, 0.0007103600000000 ] - [ 0.0290468600000000, -0.0123642500000000, 0.0002444600000000 ] - [ 0.0138226300000000, -0.0002426100000000, -0.0131868900000000 ] - [ -0.0024534500000000, 0.0122193100000000, 0.0009719400000000 ] - [ 0.0117589000000000, 0.0001106000000000, -0.0190646100000000 ] - [ 0.0100053800000000, -0.0016597600000000, 0.0039663600000000 ] - [ 0.0121968000000000, 0.0012741700000000, 0.0039909300000000 ] - [ -0.0012513500000000, 0.0006510700000000, -0.0000941600000000 ] - [ -0.0010397500000000, -0.0013471200000000, 0.0009240500000000 ] - [ -0.0010001700000000, -0.0034525300000000, -0.0002231200000000 ] - [ -0.0315663000000000, 0.0174069700000000, -0.0011133900000000 ] - [ -0.0011394500000000, 0.0014061700000000, 0.0020885400000000 ] - [ 0.0282228000000000, -0.0141531000000000, -0.0003491000000000 ] - [ -0.0236091000000000, -0.0377582500000000, 0.0066434400000000 ] - [ -0.0002825100000000, -0.0008122600000000, 0.0027696600000000 ] - [ 0.0231641900000000, 0.0358367000000000, 0.0058195500000000 ] - [ 0.0008475000000000, -0.0013483800000000, -0.0007610200000000 ] - [ -0.0002542700000000, 0.0007357300000000, 0.0008451900000000 ] - [ -0.0011206100000000, 0.0023929200000000, -0.0002868200000000 ] - [ -0.0000393900000000, 0.0001272400000000, -0.2311825400000000 ] - [ 0.0087612400000000, -0.0023782500000000, 0.0391794000000000 ] - [ -0.0146414300000000, 0.0036670600000000, 0.0389118900000000 ] - [ -0.0028581700000000, -0.0007083200000000, -0.0064859400000000 ] - [ -0.0028941000000000, 0.0001594700000000, 0.0033933900000000 ] - [ -0.0029278100000000, -0.0015696700000000, 0.0034018400000000 ] - [ 0.0230842100000000, -0.0122318500000000, 0.0158465800000000 ] - [ 0.0030171300000000, -0.0007137600000000, 0.0121481800000000 ] - [ -0.0168998600000000, 0.0106249800000000, 0.0159036500000000 ] - [ 0.0041310100000000, 0.0010258300000000, -0.0011844500000000 ] - [ 0.0029638900000000, 0.0007124700000000, 0.0022684200000000 ] - [ 0.0017771600000000, 0.0004100000000000, -0.0011463600000000 ] - [ 0.0002655500000000, -0.0007135800000000, -0.0007832200000000 ] - [ 0.0004969700000000, -0.0005260000000000, 0.0000496000000000 ] - [ 0.0000175100000000, -0.0009374000000000, 0.0001348300000000 ] - [ -0.0000621100000000, 0.0004224200000000, -0.0033397600000000 ] - [ 0.0034052100000000, 0.0038778100000000, 0.0007308800000000 ] - [ -0.0029066000000000, -0.0023910700000000, 0.0006196900000000 ] - [ 0.0050798300000000, -0.0032747900000000, 0.0006409100000000 ] - [ -0.0028083000000000, 0.0005079000000000, 0.0007801300000000 ] - [ 0.0007545300000000, -0.0011936400000000, -0.0003758600000000 ] - [ 0.0016313100000000, 0.0013208700000000, 0.0003234300000000 ] - [ 0.0006361100000000, 0.0014574300000000, 0.0003248400000000 ] - [ 0.0011675200000000, 0.0014319500000000, -0.0000660500000000 ] - [ -0.0110901000000000, 0.0000993500000000, -0.0056119700000000 ] - [ -0.0112680200000000, 0.0000240900000000, -0.0016573600000000 ] - [ -0.0116511400000000, -0.0001603000000000, -0.0053420600000000 ] - [ 0.0115920800000000, -0.0001521500000000, 0.0033294600000000 ] - [ 0.0113494200000000, -0.0000013800000000, 0.0060493100000000 ] - [ 0.0110007100000000, 0.0001828700000000, 0.0033048400000000 ] - [ -0.0011961600000000, -0.0014090000000000, -0.0004139300000000 ] - [ -0.0007226500000000, -0.0011859300000000, -0.0001652600000000 ] - [ -0.0016117800000000, -0.0016304000000000, -0.0000104800000000 ] - [ -0.0011923500000000, 0.0014053600000000, -0.0003880100000000 ] - [ -0.0006050800000000, 0.0012902500000000, -0.0001428400000000 ] - [ -0.0017335600000000, 0.0015211600000000, -0.0000304600000000 ] - [ 0.0000258700000000, -0.0005732300000000, 0.0003340500000000 ] - [ -0.0005158700000000, -0.0008056600000000, 0.0002727900000000 ] - [ -0.0003105900000000, -0.0007694400000000, -0.0000418500000000 ] - [ 0.0000960500000000, 0.0002663400000000, 0.0003766100000000 ] - [ -0.0005858600000000, 0.0011127500000000, 0.0002081800000000 ] - [ -0.0003302500000000, 0.0008201700000000, -0.0000431900000000 ] - [ -0.0036037100000000, -0.0008845100000000, -0.0004857600000000 ] - [ -0.0029720000000000, -0.0007179900000000, 0.0009457000000000 ] - [ -0.0022941900000000, -0.0005397200000000, -0.0003577600000000 ] - [ -0.0037499500000000, 0.0008801400000000, -0.0005711400000000 ] - [ -0.0029635300000000, 0.0007140700000000, 0.0011254900000000 ] - [ -0.0021460500000000, 0.0005435100000000, -0.0004565200000000 ] - [ 0.0027645300000000, -0.0006727200000000, 0.0014702000000000 ] - [ 0.0030138300000000, -0.0007023700000000, 0.0016521900000000 ] - [ 0.0029185200000000, -0.0007230000000000, -0.0030357300000000 ] - [ 0.0028433200000000, 0.0006458200000000, 0.0010893600000000 ] - [ 0.0029341200000000, 0.0007259000000000, 0.0013025000000000 ] - [ 0.0029175600000000, 0.0007227500000000, -0.0022923100000000 ] - [ -0.0020642100000000, 0.0021256200000000, 0.0003551100000000 ] - [ 0.0000930400000000, -0.0004943300000000, 0.0009170900000000 ] - [ 0.0025701400000000, -0.0035603500000000, -0.0006985300000000 ] - [ -0.0023327400000000, -0.0005490000000000, 0.0000400600000000 ] - [ 0.0001009300000000, 0.0005191400000000, 0.0008122600000000 ] - [ 0.0028279700000000, 0.0020019900000000, -0.0003208400000000 ] - [ -0.0027176700000000, -0.0005633200000000, -0.0008794900000000 ] - [ 0.0011099700000000, -0.0013779400000000, 0.0005305900000000 ] - [ 0.0049852300000000, -0.0022062200000000, -0.0003260100000000 ] - [ -0.0020458000000000, -0.0003295000000000, -0.0010446900000000 ] - [ 0.0010598000000000, 0.0013523600000000, 0.0007814200000000 ] - [ 0.0042462600000000, 0.0031241300000000, -0.0001737000000000 ] - [ -0.0132947300000000, 0.0014340900000000, 0.0100504000000000 ] - [ -0.0094589600000000, -0.0013622200000000, 0.0096146400000000 ] - [ -0.0112556400000000, -0.0000154800000000, -0.0068118900000000 ] - [ 0.0003122000000000, 0.0150085300000000, 0.0046400300000000 ] - [ -0.0001559200000000, -0.0000143700000000, 0.0018771600000000 ] - [ -0.0005715200000000, -0.0152307100000000, 0.0049099400000000 ] - [ 0.0001454800000000, 0.0000914100000000, -0.0018031200000000 ] - [ 0.0006339100000000, -0.0013833600000000, 0.0006211300000000 ] - [ -0.0002517500000000, 0.0014130200000000, 0.0006370800000000 ] - [ -0.0001611500000000, 0.0000309000000000, 0.0003624400000000 ] - [ -0.0001894300000000, -0.0000356000000000, 0.0003819200000000 ] - [ -0.0001955400000000, 0.0000010900000000, 0.0000626300000000 ] - [ -0.0004028900000000, -0.0001210000000000, 0.0001265200000000 ] - [ 0.0001506500000000, 0.0000081000000000, 0.0005121700000000 ] - [ 0.0007360500000000, 0.0001208500000000, 0.0001713300000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0323531200000000, -0.0187166700000000, -0.0017398700000000 ] - [ -0.0136025200000000, -0.0000038400000000, 0.0160035600000000 ] - [ 0.0059311500000000, 0.0184798900000000, -0.0019947400000000 ] - [ 0.0046263100000000, 0.0072584400000000, -0.0025342300000000 ] - [ 0.0028881700000000, -0.0001263100000000, 0.0054156800000000 ] - [ 0.0010913300000000, -0.0077061000000000, -0.0025442900000000 ] - [ 0.0201580900000000, -0.0101802900000000, -0.0547717100000000 ] - [ 0.0028634800000000, 0.0000193800000000, 0.0348242200000000 ] - [ -0.0146053400000000, 0.0093968500000000, -0.0562187800000000 ] - [ -0.0030749800000000, -0.0000967500000000, -0.0271857100000000 ] - [ 0.0048144800000000, -0.0020326700000000, 0.0121103700000000 ] - [ -0.0106095500000000, 0.0020590700000000, 0.0121209600000000 ] - [ -0.0028281000000000, 0.0001624800000000, -0.0032814500000000 ] - [ -0.0020055200000000, -0.0006476600000000, 0.0017030300000000 ] - [ -0.0036917500000000, 0.0008125300000000, 0.0017138200000000 ] - [ 0.0133307300000000, -0.0000005400000000, 0.0013447000000000 ] - [ 0.0164101300000000, 0.0021602500000000, 0.0051694800000000 ] - [ 0.0102635600000000, -0.0021552600000000, 0.0052879100000000 ] - [ -0.0111882500000000, -0.0014172000000000, -0.0029298300000000 ] - [ -0.0153921400000000, 0.0013881900000000, -0.0031217500000000 ] - [ -0.0134414500000000, 0.0000374900000000, -0.0059310700000000 ] - [ 0.0030312100000000, -0.0001483200000000, 0.0005583400000000 ] - [ 0.0026530600000000, -0.0001279600000000, 0.0006510100000000 ] - [ 0.0028479400000000, -0.0000625000000000, -0.0013380500000000 ] - [ 0.0031397800000000, 0.0001940800000000, 0.0007068200000000 ] - [ 0.0025462100000000, 0.0000826600000000, 0.0007867500000000 ] - [ 0.0028544700000000, 0.0000687600000000, -0.0016157800000000 ] - [ -0.0072533900000000, -0.0005920600000000, -0.0013093900000000 ] - [ -0.0029571800000000, -0.0001611500000000, 0.0022933000000000 ] - [ 0.0016824700000000, 0.0003819300000000, -0.0011194400000000 ] - [ -0.0055045300000000, 0.0002446600000000, -0.0010014900000000 ] - [ -0.0029853900000000, 0.0001448700000000, 0.0016638600000000 ] - [ -0.0000571000000000, -0.0000395200000000, -0.0007996000000000 ] - [ -0.0022076600000000, 0.0121980200000000, -0.0081401000000000 ] - [ 0.0128890900000000, 0.0002039000000000, 0.0052944200000000 ] - [ 0.0292948000000000, -0.0123848200000000, -0.0088541700000000 ] - [ 0.0109024100000000, -0.0000995100000000, 0.0107307800000000 ] - [ 0.0126474600000000, 0.0016556700000000, -0.0122942200000000 ] - [ 0.0104557900000000, -0.0012761900000000, -0.0123876600000000 ] - [ -0.0009767800000000, -0.0034054200000000, 0.0004789200000000 ] - [ -0.0012058300000000, -0.0014203600000000, -0.0005347700000000 ] - [ -0.0012248400000000, 0.0007025100000000, 0.0006181300000000 ] - [ 0.0287699700000000, -0.0143506500000000, 0.0013970200000000 ] - [ -0.0011621600000000, 0.0013952200000000, -0.0017014100000000 ] - [ -0.0310206400000000, 0.0172088200000000, 0.0008192800000000 ] - [ 0.0229376400000000, 0.0359377800000000, -0.0071106700000000 ] - [ -0.0002138100000000, -0.0006174800000000, -0.0031454800000000 ] - [ -0.0238535900000000, -0.0376846800000000, -0.0060931100000000 ] - [ -0.0012899600000000, 0.0026982800000000, 0.0003776900000000 ] - [ -0.0002048500000000, 0.0006321900000000, -0.0012242100000000 ] - [ 0.0006736000000000, -0.0010366200000000, -0.0000891400000000 ] - [ -0.0022781800000000, 0.0012777500000000, 0.2308536100000000 ] - [ -0.0144607200000000, 0.0037404600000000, -0.0389819100000000 ] - [ 0.0089442300000000, -0.0023072200000000, -0.0392499600000000 ] - [ -0.0029551100000000, -0.0007059900000000, 0.0064226500000000 ] - [ -0.0029348600000000, -0.0015647900000000, -0.0034652700000000 ] - [ -0.0029011500000000, 0.0001651500000000, -0.0034571100000000 ] - [ -0.0170288600000000, 0.0106627500000000, -0.0159670700000000 ] - [ 0.0028855600000000, -0.0007172100000000, -0.0122123300000000 ] - [ 0.0229619700000000, -0.0121943200000000, -0.0159098900000000 ] - [ 0.0017495500000000, 0.0004011400000000, 0.0010827800000000 ] - [ 0.0029129100000000, 0.0007083000000000, -0.0023325600000000 ] - [ 0.0041038100000000, 0.0010163700000000, 0.0011208400000000 ] - [ 0.0002458500000000, -0.0007322200000000, 0.0004064700000000 ] - [ -0.0000059700000000, -0.0008756700000000, -0.0004359200000000 ] - [ 0.0004741400000000, -0.0004648000000000, -0.0005088900000000 ] - [ 0.0002069000000000, 0.0007594700000000, 0.0029510900000000 ] - [ -0.0029201000000000, -0.0024893100000000, -0.0011261300000000 ] - [ 0.0033930900000000, 0.0037808500000000, -0.0009841400000000 ] - [ -0.0027961500000000, 0.0004891900000000, -0.0002572900000000 ] - [ 0.0050935700000000, -0.0032939400000000, -0.0003843000000000 ] - [ 0.0010745000000000, -0.0013571300000000, 0.0007749600000000 ] - [ 0.0006496600000000, 0.0014674700000000, 0.0000612500000000 ] - [ 0.0016460100000000, 0.0013311400000000, 0.0000683500000000 ] - [ 0.0011109900000000, 0.0013760400000000, 0.0004535400000000 ] - [ -0.0115793500000000, -0.0001089800000000, -0.0028352900000000 ] - [ -0.0113934100000000, -0.0000255600000000, -0.0067234400000000 ] - [ -0.0110150800000000, 0.0001506600000000, -0.0029732900000000 ] - [ 0.0110466200000000, 0.0001639600000000, 0.0049940100000000 ] - [ 0.0113033700000000, 0.0000043600000000, 0.0023298400000000 ] - [ 0.0116400700000000, -0.0001714100000000, 0.0051262700000000 ] - [ -0.0011390400000000, -0.0014018600000000, 0.0000300600000000 ] - [ -0.0015742800000000, -0.0016085500000000, -0.0002272300000000 ] - [ -0.0006829600000000, -0.0011624400000000, -0.0003723300000000 ] - [ -0.0011618500000000, 0.0013996200000000, 0.0000019500000000 ] - [ -0.0016887200000000, 0.0015012600000000, -0.0002499700000000 ] - [ -0.0005590400000000, 0.0012687900000000, -0.0003524800000000 ] - [ -0.0005236600000000, -0.0008321500000000, 0.0000427700000000 ] - [ 0.0000194800000000, -0.0005976900000000, 0.0001112300000000 ] - [ -0.0002143700000000, -0.0006489700000000, 0.0004190900000000 ] - [ -0.0005953600000000, 0.0011433300000000, 0.0000000900000000 ] - [ 0.0000884800000000, 0.0002940800000000, 0.0001770400000000 ] - [ -0.0002080800000000, 0.0006381100000000, 0.0004137800000000 ] - [ -0.0022756600000000, -0.0005355700000000, 0.0005336700000000 ] - [ -0.0029026000000000, -0.0007000000000000, -0.0008812400000000 ] - [ -0.0035848000000000, -0.0008802500000000, 0.0004387800000000 ] - [ -0.0021314300000000, 0.0005392700000000, 0.0006152500000000 ] - [ -0.0029115500000000, 0.0007044600000000, -0.0010621200000000 ] - [ -0.0037352800000000, 0.0008755400000000, 0.0005394400000000 ] - [ 0.0030644200000000, -0.0007333300000000, -0.0014053500000000 ] - [ 0.0028154600000000, -0.0007040300000000, -0.0015867000000000 ] - [ 0.0028995200000000, -0.0006811600000000, 0.0031007400000000 ] - [ 0.0029866100000000, 0.0007605200000000, -0.0010260500000000 ] - [ 0.0028955800000000, 0.0006809700000000, -0.0012375400000000 ] - [ 0.0029034100000000, 0.0006824300000000, 0.0023560500000000 ] - [ 0.0025054300000000, -0.0034651500000000, 0.0000255000000000 ] - [ 0.0003617100000000, -0.0008642800000000, -0.0005378000000000 ] - [ -0.0021303000000000, 0.0022232600000000, 0.0010822300000000 ] - [ 0.0027751300000000, 0.0019068800000000, 0.0003384900000000 ] - [ 0.0003571200000000, 0.0008489600000000, -0.0004310000000000 ] - [ -0.0023879700000000, -0.0006481200000000, 0.0007030800000000 ] - [ 0.0049599700000000, -0.0022081500000000, 0.0004860100000000 ] - [ 0.0011362900000000, -0.0013954900000000, -0.0009171700000000 ] - [ -0.0027421300000000, -0.0005669100000000, -0.0000573900000000 ] - [ 0.0042790200000000, 0.0030922800000000, 0.0006555400000000 ] - [ 0.0011849600000000, 0.0014176000000000, -0.0011683700000000 ] - [ -0.0020093600000000, -0.0003601300000000, -0.0002123500000000 ] - [ -0.0093771300000000, -0.0014093100000000, -0.0016379900000000 ] - [ -0.0132153200000000, 0.0013877400000000, -0.0012819200000000 ] - [ -0.0114219900000000, 0.0000501800000000, 0.0151756600000000 ] - [ -0.0006136400000000, -0.0149038300000000, -0.0052129500000000 ] - [ -0.0001758100000000, 0.0000383700000000, -0.0024164200000000 ] - [ 0.0002692500000000, 0.0153480100000000, -0.0054199500000000 ] - [ 0.0001780000000000, 0.0000086600000000, 0.0012650700000000 ] - [ -0.0002853900000000, 0.0013896700000000, -0.0011672900000000 ] - [ 0.0006010500000000, -0.0014064200000000, -0.0011665000000000 ] - [ -0.0001884300000000, -0.0000324900000000, 0.0001743500000000 ] - [ -0.0001601500000000, 0.0000345700000000, 0.0001587800000000 ] - [ -0.0001639200000000, -0.0000039300000000, 0.0004756300000000 ] - [ 0.0007344100000000, 0.0001219600000000, 0.0004109700000000 ] - [ 0.0001830200000000, -0.0000068800000000, 0.0000282300000000 ] - [ -0.0004048800000000, -0.0001193400000000, 0.0003698400000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0149989400000000, 0.0000000000000000, 0.0038760900000000 ] - [ -0.0126310200000000, 0.0000000000000000, 0.0049949800000000 ] - [ -0.0125810400000000, 0.0000000000000000, 0.0029532300000000 ] - [ 0.0200759000000000, -0.0103446300000000, 0.0002672200000000 ] - [ 0.0042413400000000, -0.0004188700000000, -0.0001146900000000 ] - [ 0.0042557800000000, -0.0004071200000000, 0.0001843700000000 ] - [ 0.0200759000000000, 0.0103446300000000, 0.0002672200000000 ] - [ 0.0042413400000000, 0.0004188700000000, -0.0001146900000000 ] - [ 0.0042557800000000, 0.0004071200000000, 0.0001843700000000 ] - [ -0.0021623300000000, 0.0017569300000000, 0.0012307300000000 ] - [ -0.0022037100000000, 0.0016907800000000, -0.0011353100000000 ] - [ -0.0026212200000000, -0.0000262000000000, 0.0000588200000000 ] - [ -0.0021623300000000, -0.0017569300000000, 0.0012307300000000 ] - [ -0.0022037100000000, -0.0016907800000000, -0.0011353100000000 ] - [ -0.0026212200000000, 0.0000262000000000, 0.0000588200000000 ] - [ 0.0101976900000000, 0.0000000000000000, 0.0057033400000000 ] - [ 0.0103783600000000, 0.0000000000000000, 0.0023236700000000 ] - [ 0.0129098900000000, 0.0000000000000000, 0.0039056300000000 ] - [ -0.0145405900000000, 0.0000000000000000, -0.0041235000000000 ] - [ -0.0139157200000000, 0.0000000000000000, -0.0039733200000000 ] - [ -0.0145484000000000, 0.0000000000000000, -0.0038609100000000 ] - [ 0.0014787600000000, -0.0002967900000000, 0.0001650600000000 ] - [ 0.0020325000000000, -0.0002032700000000, -0.0000378300000000 ] - [ 0.0014641900000000, -0.0002964900000000, -0.0002477900000000 ] - [ 0.0014787600000000, 0.0002967900000000, 0.0001650600000000 ] - [ 0.0020325000000000, 0.0002032700000000, -0.0000378300000000 ] - [ 0.0014641900000000, 0.0002964900000000, -0.0002477900000000 ] - [ -0.0047453800000000, -0.0012663600000000, -0.0000380000000000 ] - [ -0.0033509200000000, -0.0001988400000000, 0.0003230900000000 ] - [ -0.0033310900000000, -0.0001876300000000, -0.0003944700000000 ] - [ -0.0047453800000000, 0.0012663600000000, -0.0000380000000000 ] - [ -0.0033509200000000, 0.0001988400000000, 0.0003230900000000 ] - [ -0.0033310900000000, 0.0001876300000000, -0.0003944700000000 ] - [ 0.0044539800000000, 0.0000000000000000, -0.0040908000000000 ] - [ 0.0134845500000000, 0.0000000000000000, -0.0025438600000000 ] - [ 0.0136121300000000, 0.0000000000000000, -0.0054009300000000 ] - [ 0.0113076400000000, 0.0000000000000000, -0.0028623800000000 ] - [ 0.0113626800000000, 0.0000000000000000, -0.0055722300000000 ] - [ 0.0112760200000000, 0.0000000000000000, -0.0042070400000000 ] - [ 0.0109447200000000, -0.0082016900000000, 0.0006223200000000 ] - [ -0.0018473300000000, -0.0016655900000000, 0.0000500300000000 ] - [ -0.0018373700000000, -0.0016596400000000, 0.0003401900000000 ] - [ 0.0109447200000000, 0.0082016900000000, 0.0006223200000000 ] - [ -0.0018473300000000, 0.0016655900000000, 0.0000500300000000 ] - [ -0.0018373700000000, 0.0016596400000000, 0.0003401900000000 ] - [ 0.0018650300000000, 0.0031462900000000, -0.0003038600000000 ] - [ -0.0007212900000000, -0.0012058400000000, -0.0002014200000000 ] - [ -0.0007332600000000, -0.0012180100000000, -0.0001737800000000 ] - [ 0.0018650300000000, -0.0031462900000000, -0.0003038600000000 ] - [ -0.0007212900000000, 0.0012058400000000, -0.0002014200000000 ] - [ -0.0007332600000000, 0.0012180100000000, -0.0001737800000000 ] - [ -0.0052055900000000, 0.0003269900000000, 0.0004503900000000 ] - [ -0.0052274000000000, 0.0003761100000000, -0.0004733300000000 ] - [ -0.0032355300000000, 0.0006933400000000, -0.0000221400000000 ] - [ -0.0052055900000000, -0.0003269900000000, 0.0004503900000000 ] - [ -0.0052274000000000, -0.0003761100000000, -0.0004733300000000 ] - [ -0.0032355300000000, -0.0006933400000000, -0.0000221400000000 ] - [ 0.0022189800000000, -0.0016984400000000, -0.0000161700000000 ] - [ 0.0024543400000000, -0.0006215700000000, 0.0003949500000000 ] - [ 0.0024481200000000, -0.0006204600000000, -0.0004925600000000 ] - [ 0.0022189800000000, 0.0016984400000000, -0.0000161700000000 ] - [ 0.0024543400000000, 0.0006215700000000, 0.0003949500000000 ] - [ 0.0024481200000000, 0.0006204600000000, -0.0004925600000000 ] - [ 0.0007154500000000, 0.0004073200000000, -0.0009130900000000 ] - [ 0.0007459300000000, 0.0002681000000000, 0.0005202600000000 ] - [ 0.0001683300000000, -0.0005814600000000, -0.0001757000000000 ] - [ 0.0007154500000000, -0.0004073200000000, -0.0009130900000000 ] - [ 0.0007459300000000, -0.0002681000000000, 0.0005202600000000 ] - [ 0.0001683300000000, 0.0005814600000000, -0.0001757000000000 ] - [ 0.0016162000000000, -0.0017083400000000, 0.0001850800000000 ] - [ 0.0012534300000000, -0.0014581100000000, 0.0001884500000000 ] - [ 0.0016400400000000, -0.0017276600000000, 0.0001750600000000 ] - [ 0.0016162000000000, 0.0017083400000000, 0.0001850800000000 ] - [ 0.0012534300000000, 0.0014581100000000, 0.0001884500000000 ] - [ 0.0016400400000000, 0.0017276600000000, 0.0001750600000000 ] - [ -0.0104956100000000, 0.0000000000000000, -0.0042984000000000 ] - [ -0.0110834500000000, 0.0000000000000000, -0.0034528300000000 ] - [ -0.0111186500000000, 0.0000000000000000, -0.0048566000000000 ] - [ 0.0115323500000000, 0.0000000000000000, 0.0042284400000000 ] - [ 0.0114659200000000, 0.0000000000000000, 0.0043556900000000 ] - [ 0.0114659100000000, 0.0000000000000000, 0.0040649500000000 ] - [ -0.0000934200000000, -0.0009274300000000, -0.0002793400000000 ] - [ -0.0001225500000000, -0.0009457300000000, -0.0001752800000000 ] - [ -0.0006185600000000, -0.0011564600000000, -0.0001919600000000 ] - [ -0.0000934200000000, 0.0009274300000000, -0.0002793400000000 ] - [ -0.0001225500000000, 0.0009457300000000, -0.0001752800000000 ] - [ -0.0006185600000000, 0.0011564600000000, -0.0001919600000000 ] - [ 0.0001651400000000, -0.0004045600000000, 0.0001974500000000 ] - [ 0.0000115100000000, -0.0004846700000000, 0.0001954000000000 ] - [ 0.0001646700000000, -0.0004074000000000, 0.0002191700000000 ] - [ 0.0001651400000000, 0.0004045600000000, 0.0001974500000000 ] - [ 0.0000115100000000, 0.0004846700000000, 0.0001954000000000 ] - [ 0.0001646700000000, 0.0004074000000000, 0.0002191700000000 ] - [ -0.0021729300000000, -0.0005507600000000, 0.0000472600000000 ] - [ -0.0025966700000000, -0.0006107200000000, 0.0000194700000000 ] - [ -0.0026020800000000, -0.0006141500000000, 0.0000457400000000 ] - [ -0.0021729300000000, 0.0005507600000000, 0.0000472600000000 ] - [ -0.0025966700000000, 0.0006107200000000, 0.0000194700000000 ] - [ -0.0026020800000000, 0.0006141500000000, 0.0000457400000000 ] - [ 0.0034113500000000, -0.0008207400000000, -0.0005352700000000 ] - [ 0.0032604200000000, -0.0007995000000000, 0.0000159400000000 ] - [ 0.0034078700000000, -0.0008147600000000, 0.0006006100000000 ] - [ 0.0034113500000000, 0.0008207400000000, -0.0005352700000000 ] - [ 0.0032604200000000, 0.0007995000000000, 0.0000159400000000 ] - [ 0.0034078700000000, 0.0008147600000000, 0.0006006100000000 ] - [ 0.0024286900000000, -0.0025599100000000, 0.0000395800000000 ] - [ 0.0004446000000000, -0.0009540200000000, 0.0000974200000000 ] - [ 0.0004167100000000, -0.0009121700000000, 0.0003196900000000 ] - [ 0.0024286900000000, 0.0025599100000000, 0.0000395800000000 ] - [ 0.0004446000000000, 0.0009540200000000, 0.0000974200000000 ] - [ 0.0004167100000000, 0.0009121700000000, 0.0003196900000000 ] - [ 0.0018382000000000, -0.0017005500000000, -0.0001215800000000 ] - [ 0.0011936700000000, -0.0014084500000000, -0.0002936800000000 ] - [ 0.0011939200000000, -0.0014058400000000, -0.0001227500000000 ] - [ 0.0018382000000000, 0.0017005500000000, -0.0001215800000000 ] - [ 0.0011936700000000, 0.0014084500000000, -0.0002936800000000 ] - [ 0.0011939200000000, 0.0014058400000000, -0.0001227500000000 ] - [ -0.0110149100000000, 0.0000000000000000, 0.0024501000000000 ] - [ -0.0114454700000000, 0.0000000000000000, 0.0042085100000000 ] - [ -0.0110765500000000, 0.0000000000000000, 0.0059309100000000 ] - [ -0.0483278700000000, 0.0000000000000000, -0.0009990100000000 ] - [ -0.0004897300000000, 0.0000000000000000, -0.0001076800000000 ] - [ -0.0004897400000000, 0.0000000000000000, -0.0004384800000000 ] - [ -0.0000148800000000, 0.0000000000000000, -0.0003897200000000 ] - [ -0.0000147600000000, 0.0000000000000000, -0.0001481100000000 ] - [ 0.0001148900000000, 0.0000000000000000, -0.0002716200000000 ] - [ 0.0000489900000000, 0.0000000000000000, 0.0002331100000000 ] - [ -0.0000557900000000, 0.0000000000000000, 0.0002683200000000 ] - [ 0.0000539500000000, 0.0000000000000000, 0.0003012900000000 ] - [ 0.0004376000000000, 0.0000000000000000, 0.0002733800000000 ] - [ 0.0002437900000000, 0.0000000000000000, 0.0002290000000000 ] - [ 0.0002424900000000, 0.0000000000000000, 0.0003092800000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0117473700000000, 0.0000000000000000, 0.0040269600000000 ] - [ -0.0140494900000000, 0.0000000000000000, 0.0029180500000000 ] - [ -0.0140993600000000, 0.0000000000000000, 0.0049455600000000 ] - [ -0.0143564900000000, 0.0103701100000000, -0.0001817200000000 ] - [ 0.0014492900000000, 0.0001852200000000, 0.0002197100000000 ] - [ 0.0014330300000000, 0.0001745200000000, -0.0001204800000000 ] - [ -0.0143564900000000, -0.0103701100000000, -0.0001817200000000 ] - [ 0.0014492900000000, -0.0001852200000000, 0.0002197100000000 ] - [ 0.0014330300000000, -0.0001745200000000, -0.0001204800000000 ] - [ -0.0035100800000000, -0.0019723400000000, -0.0011360300000000 ] - [ -0.0034696100000000, -0.0019072800000000, 0.0012098000000000 ] - [ -0.0030662700000000, -0.0002044500000000, 0.0000246900000000 ] - [ -0.0035100800000000, 0.0019723400000000, -0.0011360300000000 ] - [ -0.0034696100000000, 0.0019072800000000, 0.0012098000000000 ] - [ -0.0030662700000000, 0.0002044500000000, 0.0000246900000000 ] - [ 0.0164447700000000, 0.0000000000000000, 0.0022229500000000 ] - [ 0.0162666900000000, 0.0000000000000000, 0.0055585200000000 ] - [ 0.0137578300000000, 0.0000000000000000, 0.0039978700000000 ] - [ -0.0121281100000000, 0.0000000000000000, -0.0037806400000000 ] - [ -0.0127514200000000, 0.0000000000000000, -0.0039302800000000 ] - [ -0.0121214000000000, 0.0000000000000000, -0.0040414500000000 ] - [ 0.0042104800000000, 0.0000614300000000, -0.0002517600000000 ] - [ 0.0036583100000000, -0.0000301000000000, -0.0000471600000000 ] - [ 0.0042246300000000, 0.0000610300000000, 0.0001665400000000 ] - [ 0.0042104800000000, -0.0000614300000000, -0.0002517600000000 ] - [ 0.0036583100000000, 0.0000301000000000, -0.0000471600000000 ] - [ 0.0042246300000000, -0.0000610300000000, 0.0001665400000000 ] - [ -0.0009565000000000, 0.0010558400000000, -0.0000467600000000 ] - [ -0.0023548300000000, -0.0000304200000000, -0.0004105500000000 ] - [ -0.0023724300000000, -0.0000415500000000, 0.0003126300000000 ] - [ -0.0009565000000000, -0.0010558400000000, -0.0000467600000000 ] - [ -0.0023548300000000, 0.0000304200000000, -0.0004105500000000 ] - [ -0.0023724300000000, 0.0000415500000000, 0.0003126300000000 ] - [ 0.0223041700000000, 0.0000000000000000, -0.0038081300000000 ] - [ 0.0131706500000000, 0.0000000000000000, -0.0053659700000000 ] - [ 0.0130435700000000, 0.0000000000000000, -0.0024937300000000 ] - [ 0.0113500000000000, 0.0000000000000000, -0.0055077300000000 ] - [ 0.0112970300000000, 0.0000000000000000, -0.0028244700000000 ] - [ 0.0113800900000000, 0.0000000000000000, -0.0041734900000000 ] - [ -0.0135037600000000, 0.0056276400000000, -0.0002447800000000 ] - [ -0.0004194200000000, -0.0011139800000000, 0.0003389600000000 ] - [ -0.0004299400000000, -0.0011188000000000, 0.0000484700000000 ] - [ -0.0135037600000000, -0.0056276400000000, -0.0002447800000000 ] - [ -0.0004194200000000, 0.0011139800000000, 0.0003389600000000 ] - [ -0.0004299400000000, 0.0011188000000000, 0.0000484700000000 ] - [ -0.0022982400000000, -0.0044717200000000, -0.0000793700000000 ] - [ 0.0002411100000000, -0.0001817600000000, -0.0001807200000000 ] - [ 0.0002523000000000, -0.0001686800000000, -0.0002024200000000 ] - [ -0.0022982400000000, 0.0044717200000000, -0.0000793700000000 ] - [ 0.0002411100000000, 0.0001817600000000, -0.0001807200000000 ] - [ 0.0002523000000000, 0.0001686800000000, -0.0002024200000000 ] - [ -0.0006562200000000, 0.0011187300000000, -0.0004751700000000 ] - [ -0.0006340200000000, 0.0010706700000000, 0.0003678700000000 ] - [ -0.0026227500000000, 0.0007204500000000, -0.0000412800000000 ] - [ -0.0006562200000000, -0.0011187300000000, -0.0004751700000000 ] - [ -0.0006340200000000, -0.0010706700000000, 0.0003678700000000 ] - [ -0.0026227500000000, -0.0007204500000000, -0.0000412800000000 ] - [ 0.0036237000000000, 0.0002758300000000, -0.0000482800000000 ] - [ 0.0033885800000000, -0.0007889500000000, -0.0004573400000000 ] - [ 0.0033949500000000, -0.0007901300000000, 0.0004269400000000 ] - [ 0.0036237000000000, -0.0002758300000000, -0.0000482800000000 ] - [ 0.0033885800000000, 0.0007889500000000, -0.0004573400000000 ] - [ 0.0033949500000000, 0.0007901300000000, 0.0004269400000000 ] - [ -0.0002346800000000, -0.0017795000000000, 0.0005227500000000 ] - [ -0.0002651400000000, -0.0016423400000000, -0.0008915000000000 ] - [ 0.0003076100000000, -0.0008044200000000, -0.0002031800000000 ] - [ -0.0002346800000000, 0.0017795000000000, 0.0005227500000000 ] - [ -0.0002651400000000, 0.0016423400000000, -0.0008915000000000 ] - [ 0.0003076100000000, 0.0008044200000000, -0.0002031800000000 ] - [ 0.0006525000000000, -0.0010744800000000, 0.0002028000000000 ] - [ 0.0010151800000000, -0.0013237200000000, 0.0002007900000000 ] - [ 0.0006286900000000, -0.0010546000000000, 0.0002122000000000 ] - [ 0.0006525000000000, 0.0010744800000000, 0.0002028000000000 ] - [ 0.0010151800000000, 0.0013237200000000, 0.0002007900000000 ] - [ 0.0006286900000000, 0.0010546000000000, 0.0002122000000000 ] - [ -0.0121501300000000, 0.0000000000000000, -0.0040855400000000 ] - [ -0.0115724400000000, 0.0000000000000000, -0.0049191500000000 ] - [ -0.0115375500000000, 0.0000000000000000, -0.0035309900000000 ] - [ 0.0111209800000000, 0.0000000000000000, 0.0041513500000000 ] - [ 0.0111869300000000, 0.0000000000000000, 0.0040268100000000 ] - [ 0.0111870800000000, 0.0000000000000000, 0.0043134100000000 ] - [ -0.0021744800000000, -0.0018517900000000, -0.0001110600000000 ] - [ -0.0021453400000000, -0.0018335600000000, -0.0002131400000000 ] - [ -0.0016512000000000, -0.0016229900000000, -0.0001948200000000 ] - [ -0.0021744800000000, 0.0018517900000000, -0.0001110600000000 ] - [ -0.0021453400000000, 0.0018335600000000, -0.0002131400000000 ] - [ -0.0016512000000000, 0.0016229900000000, -0.0001948200000000 ] - [ -0.0006479200000000, -0.0009864000000000, 0.0001821800000000 ] - [ -0.0004939400000000, -0.0009047600000000, 0.0001851100000000 ] - [ -0.0006467800000000, -0.0009825900000000, 0.0001594300000000 ] - [ -0.0006479200000000, 0.0009864000000000, 0.0001821800000000 ] - [ -0.0004939400000000, 0.0009047600000000, 0.0001851100000000 ] - [ -0.0006467800000000, 0.0009825900000000, 0.0001594300000000 ] - [ -0.0036800900000000, -0.0008595100000000, 0.0000155200000000 ] - [ -0.0032541900000000, -0.0008000200000000, 0.0000467100000000 ] - [ -0.0032492600000000, -0.0007970900000000, 0.0000166100000000 ] - [ -0.0036800900000000, 0.0008595100000000, 0.0000155200000000 ] - [ -0.0032541900000000, 0.0008000200000000, 0.0000467100000000 ] - [ -0.0032492600000000, 0.0007970900000000, 0.0000166100000000 ] - [ 0.0024405600000000, -0.0005921300000000, 0.0006021700000000 ] - [ 0.0025910900000000, -0.0006128900000000, 0.0000483600000000 ] - [ 0.0024443800000000, -0.0005989400000000, -0.0005405500000000 ] - [ 0.0024405600000000, 0.0005921300000000, 0.0006021700000000 ] - [ 0.0025910900000000, 0.0006128900000000, 0.0000483600000000 ] - [ 0.0024443800000000, 0.0005989400000000, -0.0005405500000000 ] - [ -0.0019721000000000, 0.0011888700000000, 0.0003398300000000 ] - [ 0.0000366800000000, -0.0004363400000000, 0.0002834300000000 ] - [ 0.0000654300000000, -0.0004775800000000, 0.0000587900000000 ] - [ -0.0019721000000000, -0.0011888700000000, 0.0003398300000000 ] - [ 0.0000366800000000, 0.0004363400000000, 0.0002834300000000 ] - [ 0.0000654300000000, 0.0004775800000000, 0.0000587900000000 ] - [ 0.0004564200000000, -0.0010949600000000, -0.0002680000000000 ] - [ 0.0010835300000000, -0.0013765000000000, -0.0000941500000000 ] - [ 0.0010833700000000, -0.0013793200000000, -0.0002642000000000 ] - [ 0.0004564200000000, 0.0010949600000000, -0.0002680000000000 ] - [ 0.0010835300000000, 0.0013765000000000, -0.0000941500000000 ] - [ 0.0010833700000000, 0.0013793200000000, -0.0002642000000000 ] - [ -0.0116383900000000, 0.0000000000000000, 0.0059399000000000 ] - [ -0.0112087300000000, 0.0000000000000000, 0.0041723200000000 ] - [ -0.0115761700000000, 0.0000000000000000, 0.0024365600000000 ] - [ 0.0486012400000000, 0.0000000000000000, 0.0004971700000000 ] - [ 0.0001460400000000, 0.0000000000000000, -0.0004342200000000 ] - [ 0.0001458900000000, 0.0000000000000000, -0.0000993400000000 ] - [ 0.0003506900000000, 0.0000000000000000, -0.0001493600000000 ] - [ 0.0003508300000000, 0.0000000000000000, -0.0003900800000000 ] - [ 0.0002236300000000, 0.0000000000000000, -0.0002658600000000 ] - [ -0.0003916600000000, 0.0000000000000000, 0.0003048900000000 ] - [ -0.0002867600000000, 0.0000000000000000, 0.0002706200000000 ] - [ -0.0003966900000000, 0.0000000000000000, 0.0002357400000000 ] - [ -0.0000985600000000, 0.0000000000000000, 0.0002648100000000 ] - [ 0.0000959900000000, 0.0000000000000000, 0.0003112900000000 ] - [ 0.0000978000000000, 0.0000000000000000, 0.0002299500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0132562000000000, -0.0211663900000000, 0.0039518600000000 ] - [ -0.0133357500000000, -0.0041037100000000, 0.0039288500000000 ] - [ -0.0133362800000000, -0.0040686600000000, 0.0039700200000000 ] - [ 0.0081506500000000, -0.0050151700000000, -0.0009820000000000 ] - [ 0.0058629100000000, 0.0007183700000000, -0.0077524000000000 ] - [ 0.0058061700000000, 0.0007792800000000, 0.0076737700000000 ] - [ -0.0033627700000000, -0.0075966200000000, 0.0010352000000000 ] - [ -0.0001798400000000, 0.0009042700000000, 0.0078294100000000 ] - [ -0.0001242600000000, 0.0009660800000000, -0.0075778600000000 ] - [ 0.0026312400000000, -0.0030536800000000, -0.0025392000000000 ] - [ 0.0026471400000000, -0.0029964400000000, 0.0025846900000000 ] - [ -0.0013128800000000, -0.0006815500000000, 0.0000511100000000 ] - [ -0.0083580400000000, -0.0027629700000000, 0.0026188100000000 ] - [ -0.0083718900000000, -0.0027050700000000, -0.0024950200000000 ] - [ -0.0043885600000000, -0.0004448500000000, 0.0000322200000000 ] - [ 0.0133689300000000, 0.0033073700000000, 0.0039312700000000 ] - [ 0.0133670600000000, 0.0032894700000000, 0.0039700500000000 ] - [ 0.0133355100000000, 0.0013615200000000, 0.0039520300000000 ] - [ -0.0133251900000000, -0.0019713600000000, -0.0039494800000000 ] - [ -0.0133301200000000, -0.0009982400000000, -0.0039517000000000 ] - [ -0.0133253900000000, -0.0019523500000000, -0.0039525500000000 ] - [ 0.0027797900000000, -0.0000984000000000, -0.0000946400000000 ] - [ 0.0028225800000000, -0.0001104600000000, -0.0000389200000000 ] - [ 0.0027830600000000, -0.0000977500000000, 0.0000120600000000 ] - [ 0.0029386900000000, 0.0001267600000000, 0.0000094400000000 ] - [ 0.0028855000000000, 0.0001180000000000, -0.0000459200000000 ] - [ 0.0029348600000000, 0.0001278600000000, -0.0000937100000000 ] - [ -0.0035790500000000, -0.0007370000000000, -0.0000305700000000 ] - [ -0.0029628300000000, -0.0001272500000000, 0.0000707500000000 ] - [ -0.0029703100000000, -0.0001244400000000, -0.0001586200000000 ] - [ -0.0020721200000000, -0.0004832100000000, -0.0000520600000000 ] - [ -0.0027181200000000, 0.0001127200000000, -0.0001604000000000 ] - [ -0.0027097600000000, 0.0001148400000000, 0.0000796800000000 ] - [ 0.0133318100000000, 0.0149733900000000, -0.0039506500000000 ] - [ 0.0133280300000000, 0.0028793600000000, -0.0039502100000000 ] - [ 0.0133298700000000, 0.0027289300000000, -0.0039508300000000 ] - [ 0.0113247700000000, 0.0011673600000000, -0.0042173600000000 ] - [ 0.0113240700000000, 0.0013196000000000, -0.0041575400000000 ] - [ 0.0113264200000000, 0.0005403000000000, -0.0041876000000000 ] - [ -0.0215683400000000, -0.0027934100000000, -0.0003770500000000 ] - [ -0.0032321900000000, -0.0027492300000000, 0.0003942700000000 ] - [ -0.0031944200000000, -0.0027302300000000, -0.0000815300000000 ] - [ 0.0191398800000000, 0.0001216900000000, 0.0007628000000000 ] - [ 0.0009615400000000, 0.0000378300000000, -0.0000086500000000 ] - [ 0.0009231500000000, 0.0000553300000000, 0.0004741600000000 ] - [ 0.0167163000000000, 0.0326400000000000, -0.0012241600000000 ] - [ 0.0020070000000000, 0.0025247400000000, -0.0010391300000000 ] - [ 0.0019819300000000, 0.0024751000000000, 0.0004165900000000 ] - [ -0.0173604800000000, 0.0344225800000000, 0.0008509000000000 ] - [ -0.0024798800000000, 0.0039016200000000, 0.0006655800000000 ] - [ -0.0024560700000000, 0.0038519400000000, -0.0007987000000000 ] - [ -0.0038966500000000, 0.0079947800000000, 0.0148334700000000 ] - [ -0.0037953100000000, 0.0083136200000000, -0.0152316000000000 ] - [ -0.0039269600000000, 0.0008823300000000, -0.0000582000000000 ] - [ -0.0019309300000000, 0.0066064600000000, -0.0150791800000000 ] - [ -0.0020345500000000, 0.0069273000000000, 0.0153483800000000 ] - [ -0.0019164000000000, -0.0005298000000000, -0.0000049100000000 ] - [ -0.0002042200000000, 0.0024948600000000, -0.0000729600000000 ] - [ 0.0022396100000000, -0.0002299000000000, -0.0014437500000000 ] - [ 0.0022608400000000, -0.0002291800000000, 0.0013583600000000 ] - [ 0.0060923400000000, 0.0039236800000000, 0.0000093200000000 ] - [ 0.0036221600000000, 0.0011821900000000, 0.0013747900000000 ] - [ 0.0036014900000000, 0.0011830400000000, -0.0014154500000000 ] - [ 0.0022307300000000, -0.0025705400000000, -0.0004729300000000 ] - [ 0.0022281900000000, -0.0026102700000000, 0.0002327700000000 ] - [ 0.0010065300000000, -0.0017169000000000, -0.0001560700000000 ] - [ -0.0017597800000000, -0.0011428200000000, 0.0001093600000000 ] - [ -0.0017584800000000, -0.0011852800000000, -0.0006286000000000 ] - [ -0.0005232700000000, -0.0003216000000000, -0.0002227200000000 ] - [ -0.0010096300000000, -0.0000599200000000, 0.0001710200000000 ] - [ 0.0002506200000000, -0.0008355500000000, 0.0002114800000000 ] - [ -0.0010087400000000, -0.0000575100000000, 0.0003032600000000 ] - [ 0.0032738900000000, 0.0027147800000000, 0.0002179300000000 ] - [ 0.0020204100000000, 0.0019459700000000, 0.0001782500000000 ] - [ 0.0032729700000000, 0.0027162400000000, 0.0000846900000000 ] - [ -0.0113369900000000, -0.0004254400000000, -0.0041886700000000 ] - [ -0.0113305900000000, -0.0002913000000000, -0.0041971800000000 ] - [ -0.0113301700000000, -0.0002719300000000, -0.0041820100000000 ] - [ 0.0113261800000000, 0.0003914300000000, 0.0041892800000000 ] - [ 0.0113265100000000, 0.0003083900000000, 0.0041889000000000 ] - [ 0.0113266400000000, 0.0003056100000000, 0.0041914500000000 ] - [ -0.0010928400000000, -0.0015054800000000, -0.0001785100000000 ] - [ -0.0010946300000000, -0.0015041400000000, -0.0001906400000000 ] - [ -0.0011475500000000, -0.0014627000000000, -0.0001923500000000 ] - [ -0.0011992600000000, 0.0012858100000000, -0.0002083700000000 ] - [ -0.0011967100000000, 0.0012868000000000, -0.0001986200000000 ] - [ -0.0011320900000000, 0.0013225000000000, -0.0001941000000000 ] - [ -0.0001835800000000, -0.0004503700000000, 0.0002154700000000 ] - [ -0.0002046400000000, -0.0005650300000000, 0.0002011400000000 ] - [ -0.0001838700000000, -0.0004517200000000, 0.0002245400000000 ] - [ -0.0003032100000000, 0.0009426400000000, 0.0001645600000000 ] - [ -0.0002795200000000, 0.0008263900000000, 0.0001799800000000 ] - [ -0.0003024300000000, 0.0009401400000000, 0.0001547200000000 ] - [ -0.0029749600000000, -0.0006522400000000, 0.0000340200000000 ] - [ -0.0029326200000000, -0.0007072700000000, 0.0000640900000000 ] - [ -0.0029360900000000, -0.0007092400000000, -0.0000020000000000 ] - [ -0.0028897000000000, 0.0007647900000000, 0.0000287600000000 ] - [ -0.0029258800000000, 0.0007071900000000, 0.0000001200000000 ] - [ -0.0029224700000000, 0.0007053900000000, 0.0000673200000000 ] - [ 0.0029579300000000, -0.0006859100000000, -0.0000850300000000 ] - [ 0.0029368900000000, -0.0007081400000000, 0.0000404900000000 ] - [ 0.0029547400000000, -0.0006891500000000, 0.0001479300000000 ] - [ 0.0028849700000000, 0.0007224900000000, 0.0001574000000000 ] - [ 0.0029086600000000, 0.0007017900000000, 0.0000249000000000 ] - [ 0.0028886600000000, 0.0007201500000000, -0.0000927000000000 ] - [ -0.0002607100000000, -0.0014840600000000, 0.0000367400000000 ] - [ 0.0003142700000000, -0.0010255800000000, 0.0001671500000000 ] - [ 0.0003116900000000, -0.0010177900000000, 0.0001777300000000 ] - [ 0.0007393900000000, -0.0000905100000000, 0.0003427100000000 ] - [ 0.0001668900000000, 0.0003678300000000, 0.0002140600000000 ] - [ 0.0001697200000000, 0.0003740300000000, 0.0002015800000000 ] - [ 0.0004052400000000, 0.0001283000000000, -0.0004375400000000 ] - [ 0.0010818400000000, -0.0011699700000000, -0.0001665200000000 ] - [ 0.0010977500000000, -0.0011735800000000, -0.0002092900000000 ] - [ 0.0018055900000000, 0.0028780700000000, 0.0000421200000000 ] - [ 0.0011772400000000, 0.0016051400000000, -0.0002174900000000 ] - [ 0.0011620500000000, 0.0016021000000000, -0.0001794300000000 ] - [ -0.0113245900000000, -0.0014877400000000, 0.0041937200000000 ] - [ -0.0113272200000000, -0.0007159100000000, 0.0041902000000000 ] - [ -0.0113247800000000, -0.0014874700000000, 0.0041844900000000 ] - [ 0.0009853200000000, -0.0794908400000000, -0.0002699800000000 ] - [ -0.0001668300000000, -0.0025430500000000, -0.0002754200000000 ] - [ -0.0001670500000000, -0.0025429300000000, -0.0002641100000000 ] - [ 0.0001746900000000, 0.0020214700000000, -0.0002698100000000 ] - [ 0.0001747800000000, 0.0020210000000000, -0.0002684100000000 ] - [ 0.0001724100000000, 0.0008923800000000, -0.0002685700000000 ] - [ -0.0001732700000000, -0.0000584800000000, 0.0002692800000000 ] - [ -0.0001724600000000, -0.0000297700000000, 0.0002697700000000 ] - [ -0.0001733100000000, -0.0000607800000000, 0.0002688900000000 ] - [ 0.0001672400000000, 0.0001475600000000, 0.0002691600000000 ] - [ 0.0001697000000000, 0.0000457700000000, 0.0002705300000000 ] - [ 0.0001700700000000, 0.0000495600000000, 0.0002698100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0134409300000000, 0.0000000000000000, 0.0052753800000000 ] - [ -0.0118044800000000, 0.0000000000000000, 0.0034773100000000 ] - [ -0.0147116100000000, 0.0000000000000000, 0.0032820700000000 ] - [ 0.0029220000000000, -0.0004950700000000, 0.0094527600000000 ] - [ 0.0039350300000000, -0.0013082200000000, -0.0047189800000000 ] - [ 0.0018278900000000, 0.0009797200000000, -0.0045670700000000 ] - [ 0.0029220000000000, 0.0004950700000000, 0.0094527600000000 ] - [ 0.0039350300000000, 0.0013082200000000, -0.0047189800000000 ] - [ 0.0018278900000000, -0.0009797200000000, -0.0045670700000000 ] - [ -0.0011077700000000, -0.0014835700000000, 0.0006598200000000 ] - [ -0.0046235200000000, 0.0012823600000000, 0.0007650700000000 ] - [ -0.0028581800000000, -0.0001272400000000, -0.0012262100000000 ] - [ -0.0011077700000000, 0.0014835700000000, 0.0006598200000000 ] - [ -0.0046235200000000, -0.0012823600000000, 0.0007650700000000 ] - [ -0.0028581800000000, 0.0001272400000000, -0.0012262100000000 ] - [ 0.0148180000000000, 0.0000000000000000, 0.0042539000000000 ] - [ 0.0118667300000000, 0.0000000000000000, 0.0042464900000000 ] - [ 0.0133068200000000, 0.0000000000000000, 0.0032317100000000 ] - [ -0.0139431100000000, 0.0000000000000000, -0.0037799000000000 ] - [ -0.0133644400000000, 0.0000000000000000, -0.0043393800000000 ] - [ -0.0127242400000000, 0.0000000000000000, -0.0037379000000000 ] - [ 0.0026269600000000, -0.0001437700000000, 0.0000703800000000 ] - [ 0.0028360900000000, -0.0001131900000000, -0.0002415600000000 ] - [ 0.0030440800000000, -0.0000943300000000, 0.0000455600000000 ] - [ 0.0026269600000000, 0.0001437700000000, 0.0000703800000000 ] - [ 0.0028360900000000, 0.0001131900000000, -0.0002415600000000 ] - [ 0.0030440800000000, 0.0000943300000000, 0.0000455600000000 ] - [ -0.0028845100000000, -0.0001571900000000, 0.0001754800000000 ] - [ -0.0025776500000000, -0.0000602800000000, -0.0001289800000000 ] - [ -0.0031134300000000, -0.0001297300000000, -0.0001689600000000 ] - [ -0.0028845100000000, 0.0001571900000000, 0.0001754800000000 ] - [ -0.0025776500000000, 0.0000602800000000, -0.0001289800000000 ] - [ -0.0031134300000000, 0.0001297300000000, -0.0001689600000000 ] - [ 0.0130877300000000, 0.0000000000000000, -0.0028223000000000 ] - [ 0.0145527900000000, 0.0000000000000000, -0.0045442200000000 ] - [ 0.0122925300000000, 0.0000000000000000, -0.0044886800000000 ] - [ 0.0114436800000000, 0.0000000000000000, -0.0045207200000000 ] - [ 0.0112118200000000, 0.0000000000000000, -0.0048669700000000 ] - [ 0.0112855000000000, 0.0000000000000000, -0.0028554000000000 ] - [ -0.0008637200000000, -0.0014724800000000, -0.0030734900000000 ] - [ -0.0018614100000000, -0.0015602100000000, 0.0003809000000000 ] - [ -0.0004490100000000, -0.0012248500000000, 0.0003927000000000 ] - [ -0.0008637200000000, 0.0014724800000000, -0.0030734900000000 ] - [ -0.0018614100000000, 0.0015602100000000, 0.0003809000000000 ] - [ -0.0004490100000000, 0.0012248500000000, 0.0003927000000000 ] - [ -0.0000658500000000, -0.0004122100000000, 0.0007547400000000 ] - [ -0.0010954200000000, -0.0018434300000000, 0.0002818200000000 ] - [ 0.0005401000000000, 0.0003496100000000, 0.0002371000000000 ] - [ -0.0000658500000000, 0.0004122100000000, 0.0007547400000000 ] - [ -0.0010954200000000, 0.0018434300000000, 0.0002818200000000 ] - [ 0.0005401000000000, -0.0003496100000000, 0.0002371000000000 ] - [ -0.0025060200000000, 0.0073217900000000, 0.0048755800000000 ] - [ -0.0033342400000000, -0.0062295200000000, 0.0051524000000000 ] - [ -0.0029257100000000, 0.0006955200000000, 0.0021160600000000 ] - [ -0.0025060200000000, -0.0073217900000000, 0.0048755800000000 ] - [ -0.0033342400000000, 0.0062295200000000, 0.0051524000000000 ] - [ -0.0029257100000000, -0.0006955200000000, 0.0021160600000000 ] - [ 0.0028935500000000, -0.0006925800000000, -0.0015663100000000 ] - [ 0.0034155200000000, -0.0008545600000000, 0.0008707300000000 ] - [ 0.0024647100000000, -0.0005640200000000, 0.0008624700000000 ] - [ 0.0028935500000000, 0.0006925800000000, -0.0015663100000000 ] - [ 0.0034155200000000, 0.0008545600000000, 0.0008707300000000 ] - [ 0.0024647100000000, 0.0005640200000000, 0.0008624700000000 ] - [ -0.0003969100000000, -0.0008920700000000, -0.0001298400000000 ] - [ 0.0008798100000000, -0.0005040700000000, -0.0001311100000000 ] - [ 0.0002492300000000, -0.0007113900000000, -0.0000257800000000 ] - [ -0.0003969100000000, 0.0008920700000000, -0.0001298400000000 ] - [ 0.0008798100000000, 0.0005040700000000, -0.0001311100000000 ] - [ 0.0002492300000000, 0.0007113900000000, -0.0000257800000000 ] - [ 0.0018155900000000, -0.0017582100000000, 0.0001258800000000 ] - [ 0.0011415600000000, -0.0013938700000000, 0.0002701300000000 ] - [ 0.0004686800000000, -0.0010316200000000, 0.0001575100000000 ] - [ 0.0018155900000000, 0.0017582100000000, 0.0001258800000000 ] - [ 0.0011415600000000, 0.0013938700000000, 0.0002701300000000 ] - [ 0.0004686800000000, 0.0010316200000000, 0.0001575100000000 ] - [ -0.0113490700000000, 0.0000000000000000, -0.0050493700000000 ] - [ -0.0112542800000000, 0.0000000000000000, -0.0037842500000000 ] - [ -0.0113797400000000, 0.0000000000000000, -0.0037656300000000 ] - [ 0.0113222100000000, 0.0000000000000000, 0.0037406400000000 ] - [ 0.0113885800000000, 0.0000000000000000, 0.0044188100000000 ] - [ 0.0112763900000000, 0.0000000000000000, 0.0044113300000000 ] - [ -0.0013913200000000, -0.0014847400000000, -0.0001978700000000 ] - [ -0.0008637000000000, -0.0012919600000000, -0.0002459400000000 ] - [ -0.0011296400000000, -0.0013883900000000, -0.0001425700000000 ] - [ -0.0013913200000000, 0.0014847400000000, -0.0001978700000000 ] - [ -0.0008637000000000, 0.0012919600000000, -0.0002459400000000 ] - [ -0.0011296400000000, 0.0013883900000000, -0.0001425700000000 ] - [ -0.0001271800000000, -0.0006126000000000, 0.0001907700000000 ] - [ -0.0002327900000000, -0.0006849700000000, 0.0002289400000000 ] - [ -0.0003513500000000, -0.0007786500000000, 0.0001537500000000 ] - [ -0.0001271800000000, 0.0006126000000000, 0.0001907700000000 ] - [ -0.0002327900000000, 0.0006849700000000, 0.0002289400000000 ] - [ -0.0003513500000000, 0.0007786500000000, 0.0001537500000000 ] - [ -0.0029182500000000, -0.0007073000000000, -0.0001749200000000 ] - [ -0.0029714600000000, -0.0007130800000000, 0.0001259300000000 ] - [ -0.0028772800000000, -0.0006956900000000, 0.0001445800000000 ] - [ -0.0029182500000000, 0.0007073000000000, -0.0001749200000000 ] - [ -0.0029714600000000, 0.0007130800000000, 0.0001259300000000 ] - [ -0.0028772800000000, 0.0006956900000000, 0.0001445800000000 ] - [ 0.0029578200000000, -0.0007177300000000, -0.0001132500000000 ] - [ 0.0029260400000000, -0.0007058500000000, 0.0002746800000000 ] - [ 0.0029044100000000, -0.0006982300000000, -0.0000643600000000 ] - [ 0.0029578200000000, 0.0007177300000000, -0.0001132500000000 ] - [ 0.0029260400000000, 0.0007058500000000, 0.0002746800000000 ] - [ 0.0029044100000000, 0.0006982300000000, -0.0000643600000000 ] - [ 0.0002992800000000, -0.0007751800000000, 0.0001436300000000 ] - [ 0.0000349800000000, -0.0005033100000000, 0.0002525200000000 ] - [ 0.0004055100000000, -0.0008304700000000, 0.0002072300000000 ] - [ 0.0002992800000000, 0.0007751800000000, 0.0001436300000000 ] - [ 0.0000349800000000, 0.0005033100000000, 0.0002525200000000 ] - [ 0.0004055100000000, 0.0008304700000000, 0.0002072300000000 ] - [ 0.0011226000000000, -0.0013770600000000, -0.0002313500000000 ] - [ 0.0008781900000000, -0.0013025300000000, -0.0001902200000000 ] - [ 0.0014089200000000, -0.0014954200000000, -0.0001202100000000 ] - [ 0.0011226000000000, 0.0013770600000000, -0.0002313500000000 ] - [ 0.0008781900000000, 0.0013025300000000, -0.0001902200000000 ] - [ 0.0014089200000000, 0.0014954200000000, -0.0001202100000000 ] - [ -0.0116447900000000, 0.0000000000000000, 0.0038663300000000 ] - [ -0.0113465300000000, 0.0000000000000000, 0.0050170800000000 ] - [ -0.0109929000000000, 0.0000000000000000, 0.0038430000000000 ] - [ -0.0010088600000000, 0.0000000000000000, -0.0260757100000000 ] - [ -0.0003414200000000, 0.0000000000000000, 0.0004661400000000 ] - [ -0.0000082900000000, 0.0000000000000000, 0.0004594700000000 ] - [ 0.0000482300000000, 0.0000000000000000, -0.0003445200000000 ] - [ 0.0002896300000000, 0.0000000000000000, -0.0003464800000000 ] - [ 0.0001727700000000, 0.0000000000000000, -0.0001111300000000 ] - [ -0.0001345200000000, 0.0000000000000000, 0.0002546300000000 ] - [ -0.0001693700000000, 0.0000000000000000, 0.0002963000000000 ] - [ -0.0002031300000000, 0.0000000000000000, 0.0002598700000000 ] - [ 0.0001757300000000, 0.0000000000000000, 0.0002434300000000 ] - [ 0.0001284800000000, 0.0000000000000000, 0.0002810900000000 ] - [ 0.0002095800000000, 0.0000000000000000, 0.0002873900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0132888500000000, 0.0000000000000000, 0.0026271500000000 ] - [ -0.0148492300000000, 0.0000000000000000, 0.0044457900000000 ] - [ -0.0119404100000000, 0.0000000000000000, 0.0046029400000000 ] - [ 0.0028223000000000, 0.0000888100000000, -0.0093587600000000 ] - [ 0.0017732300000000, 0.0010614900000000, 0.0047857300000000 ] - [ 0.0038792300000000, -0.0012247500000000, 0.0046701900000000 ] - [ 0.0028223000000000, -0.0000888100000000, -0.0093587600000000 ] - [ 0.0017732300000000, -0.0010614900000000, 0.0047857300000000 ] - [ 0.0038792300000000, 0.0012247500000000, 0.0046701900000000 ] - [ -0.0045924900000000, 0.0012604200000000, -0.0005838900000000 ] - [ -0.0010767000000000, -0.0015058100000000, -0.0006695600000000 ] - [ -0.0028376000000000, -0.0001023400000000, 0.0013100700000000 ] - [ -0.0045924900000000, -0.0012604200000000, -0.0005838900000000 ] - [ -0.0010767000000000, 0.0015058100000000, -0.0006695600000000 ] - [ -0.0028376000000000, 0.0001023400000000, 0.0013100700000000 ] - [ 0.0118384800000000, 0.0000000000000000, 0.0036473500000000 ] - [ 0.0147913900000000, 0.0000000000000000, 0.0036569400000000 ] - [ 0.0133522800000000, 0.0000000000000000, 0.0046712800000000 ] - [ -0.0127302800000000, 0.0000000000000000, -0.0041210100000000 ] - [ -0.0133078500000000, 0.0000000000000000, -0.0035639000000000 ] - [ -0.0139493200000000, 0.0000000000000000, -0.0041657000000000 ] - [ 0.0030604900000000, -0.0000883300000000, -0.0001510800000000 ] - [ 0.0028534100000000, -0.0001178900000000, 0.0001572700000000 ] - [ 0.0026433600000000, -0.0001374500000000, -0.0001311500000000 ] - [ 0.0030604900000000, 0.0000883300000000, -0.0001510800000000 ] - [ 0.0028534100000000, 0.0001178900000000, 0.0001572700000000 ] - [ 0.0026433600000000, 0.0001374500000000, -0.0001311500000000 ] - [ -0.0028271300000000, -0.0000746900000000, -0.0002591400000000 ] - [ -0.0031171000000000, -0.0001691600000000, 0.0000489200000000 ] - [ -0.0025796600000000, -0.0001001000000000, 0.0000816600000000 ] - [ -0.0028271300000000, 0.0000746900000000, -0.0002591400000000 ] - [ -0.0031171000000000, 0.0001691600000000, 0.0000489200000000 ] - [ -0.0025796600000000, 0.0001001000000000, 0.0000816600000000 ] - [ 0.0135413100000000, 0.0000000000000000, -0.0050789900000000 ] - [ 0.0121257000000000, 0.0000000000000000, -0.0033499200000000 ] - [ 0.0143863600000000, 0.0000000000000000, -0.0034240900000000 ] - [ 0.0112118500000000, 0.0000000000000000, -0.0038326100000000 ] - [ 0.0114463300000000, 0.0000000000000000, -0.0035420900000000 ] - [ 0.0113685700000000, 0.0000000000000000, -0.0055222900000000 ] - [ -0.0013486900000000, -0.0013182400000000, 0.0034652500000000 ] - [ -0.0004186800000000, -0.0012241200000000, 0.0000085000000000 ] - [ -0.0018313900000000, -0.0015582700000000, -0.0000028100000000 ] - [ -0.0013486900000000, 0.0013182400000000, 0.0034652500000000 ] - [ -0.0004186800000000, 0.0012241200000000, 0.0000085000000000 ] - [ -0.0018313900000000, 0.0015582700000000, -0.0000028100000000 ] - [ -0.0003666300000000, -0.0008942900000000, -0.0011385100000000 ] - [ 0.0006039900000000, 0.0004392100000000, -0.0006591400000000 ] - [ -0.0010323300000000, -0.0017528000000000, -0.0006156400000000 ] - [ -0.0003666300000000, 0.0008942900000000, -0.0011385100000000 ] - [ 0.0006039900000000, -0.0004392100000000, -0.0006591400000000 ] - [ -0.0010323300000000, 0.0017528000000000, -0.0006156400000000 ] - [ -0.0033507000000000, -0.0060033200000000, -0.0049778600000000 ] - [ -0.0025218900000000, 0.0075467700000000, -0.0051779700000000 ] - [ -0.0029255400000000, 0.0007130200000000, -0.0021780700000000 ] - [ -0.0033507000000000, 0.0060033200000000, -0.0049778600000000 ] - [ -0.0025218900000000, -0.0075467700000000, -0.0051779700000000 ] - [ -0.0029255400000000, -0.0007130200000000, -0.0021780700000000 ] - [ 0.0029472600000000, -0.0007128600000000, 0.0015024700000000 ] - [ 0.0024381000000000, -0.0005580900000000, -0.0009328200000000 ] - [ 0.0033887800000000, -0.0008485600000000, -0.0009262500000000 ] - [ 0.0029472600000000, 0.0007128600000000, 0.0015024700000000 ] - [ 0.0024381000000000, 0.0005580900000000, -0.0009328200000000 ] - [ 0.0033887800000000, 0.0008485600000000, -0.0009262500000000 ] - [ 0.0008813700000000, -0.0004966300000000, -0.0002493100000000 ] - [ -0.0003959300000000, -0.0008845900000000, -0.0002487400000000 ] - [ 0.0002324300000000, -0.0006796400000000, -0.0003522500000000 ] - [ 0.0008813700000000, 0.0004966300000000, -0.0002493100000000 ] - [ -0.0003959300000000, 0.0008845900000000, -0.0002487400000000 ] - [ 0.0002324300000000, 0.0006796400000000, -0.0003522500000000 ] - [ 0.0004585200000000, -0.0010270400000000, 0.0002625200000000 ] - [ 0.0011325100000000, -0.0013899900000000, 0.0001198300000000 ] - [ 0.0018055700000000, -0.0017527400000000, 0.0002309100000000 ] - [ 0.0004585200000000, 0.0010270400000000, 0.0002625200000000 ] - [ 0.0011325100000000, 0.0013899900000000, 0.0001198300000000 ] - [ 0.0018055700000000, 0.0017527400000000, 0.0002309100000000 ] - [ -0.0113063400000000, 0.0000000000000000, -0.0033301100000000 ] - [ -0.0114009300000000, 0.0000000000000000, -0.0045938600000000 ] - [ -0.0112753300000000, 0.0000000000000000, -0.0046131200000000 ] - [ 0.0113335200000000, 0.0000000000000000, 0.0046390600000000 ] - [ 0.0112670900000000, 0.0000000000000000, 0.0039618200000000 ] - [ 0.0113794500000000, 0.0000000000000000, 0.0039700400000000 ] - [ -0.0008761200000000, -0.0012958700000000, -0.0001906300000000 ] - [ -0.0014035000000000, -0.0014886900000000, -0.0001426900000000 ] - [ -0.0011371600000000, -0.0013911800000000, -0.0002435100000000 ] - [ -0.0008761200000000, 0.0012958700000000, -0.0001906300000000 ] - [ -0.0014035000000000, 0.0014886900000000, -0.0001426900000000 ] - [ -0.0011371600000000, 0.0013911800000000, -0.0002435100000000 ] - [ -0.0003522500000000, -0.0007764400000000, 0.0001895800000000 ] - [ -0.0002467200000000, -0.0007033100000000, 0.0001526100000000 ] - [ -0.0001273600000000, -0.0006090400000000, 0.0002264200000000 ] - [ -0.0003522500000000, 0.0007764400000000, 0.0001895800000000 ] - [ -0.0002467200000000, 0.0007033100000000, 0.0001526100000000 ] - [ -0.0001273600000000, 0.0006090400000000, 0.0002264200000000 ] - [ -0.0029287000000000, -0.0007033500000000, 0.0002384900000000 ] - [ -0.0028795800000000, -0.0006984700000000, -0.0000623500000000 ] - [ -0.0029739400000000, -0.0007162600000000, -0.0000785500000000 ] - [ -0.0029287000000000, 0.0007033500000000, 0.0002384900000000 ] - [ -0.0028795800000000, 0.0006984700000000, -0.0000623500000000 ] - [ -0.0029739400000000, 0.0007162600000000, -0.0000785500000000 ] - [ 0.0028958900000000, -0.0006949100000000, 0.0001713400000000 ] - [ 0.0029264300000000, -0.0007065300000000, -0.0002094800000000 ] - [ 0.0029496100000000, -0.0007151700000000, 0.0001345100000000 ] - [ 0.0028958900000000, 0.0006949100000000, 0.0001713400000000 ] - [ 0.0029264300000000, 0.0007065300000000, -0.0002094800000000 ] - [ 0.0029496100000000, 0.0007151700000000, 0.0001345100000000 ] - [ 0.0001922000000000, -0.0006222600000000, 0.0002342300000000 ] - [ 0.0004438300000000, -0.0008852100000000, 0.0001281600000000 ] - [ 0.0000738900000000, -0.0005571600000000, 0.0001742000000000 ] - [ 0.0001922000000000, 0.0006222600000000, 0.0002342300000000 ] - [ 0.0004438300000000, 0.0008852100000000, 0.0001281600000000 ] - [ 0.0000738900000000, 0.0005571600000000, 0.0001742000000000 ] - [ 0.0011674400000000, -0.0014146900000000, -0.0001573200000000 ] - [ 0.0013911800000000, -0.0014791700000000, -0.0001983200000000 ] - [ 0.0008603600000000, -0.0012863000000000, -0.0002650200000000 ] - [ 0.0011674400000000, 0.0014146900000000, -0.0001573200000000 ] - [ 0.0013911800000000, 0.0014791700000000, -0.0001983200000000 ] - [ 0.0008603600000000, 0.0012863000000000, -0.0002650200000000 ] - [ -0.0110103700000000, 0.0000000000000000, 0.0045019100000000 ] - [ -0.0113115000000000, 0.0000000000000000, 0.0033651800000000 ] - [ -0.0116626000000000, 0.0000000000000000, 0.0045503800000000 ] - [ 0.0004779200000000, 0.0000000000000000, 0.0254496200000000 ] - [ -0.0000026800000000, 0.0000000000000000, -0.0010063400000000 ] - [ -0.0003358400000000, 0.0000000000000000, -0.0010128100000000 ] - [ 0.0002916400000000, 0.0000000000000000, -0.0001913800000000 ] - [ 0.0000504400000000, 0.0000000000000000, -0.0001933300000000 ] - [ 0.0001685800000000, 0.0000000000000000, -0.0004256100000000 ] - [ -0.0002065800000000, 0.0000000000000000, 0.0002834800000000 ] - [ -0.0001720500000000, 0.0000000000000000, 0.0002434700000000 ] - [ -0.0001379600000000, 0.0000000000000000, 0.0002787500000000 ] - [ 0.0001674700000000, 0.0000000000000000, 0.0002952300000000 ] - [ 0.0002115900000000, 0.0000000000000000, 0.0002592100000000 ] - [ 0.0001309900000000, 0.0000000000000000, 0.0002535000000000 ]