# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fb3a0cee-10af-418c-9493-3f1c98f67d69/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 LaPb6ClO7 / C2/m (12) / materials id 556523](https://mdr.nims.go.jp/datasets/773a804b-bcf9-489d-a993-78dfc2ff7f31) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.176859354999999, -4.045262415000000, 0.025092585000000 ] # a - [ 9.176859354999999, 4.045262415000000, 0.025092585000000 ] # b - [ -4.473718910000000, 0.000000000000000, 8.254653180000000 ] # c points: - symbol: La # 1 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 138.905470 - symbol: Pb # 3 coordinates: [ 0.798070420000000, 0.798070420000000, 0.718268920000000 ] mass: 207.200000 - symbol: Pb # 4 coordinates: [ 0.894459690000000, 0.361133790000000, 0.546902330000000 ] mass: 207.200000 - symbol: Pb # 5 coordinates: [ 0.951030730000000, 0.951030730000000, 0.175444540000000 ] mass: 207.200000 - symbol: Pb # 6 coordinates: [ 0.557462310000000, 0.557462310000000, 0.759120190000000 ] mass: 207.200000 - symbol: Pb # 7 coordinates: [ 0.638866210000000, 0.105540310000000, 0.453097670000000 ] mass: 207.200000 - symbol: Pb # 8 coordinates: [ 0.654152600000000, 0.654152600000000, 0.216246240000000 ] mass: 207.200000 - symbol: Pb # 9 coordinates: [ 0.345847400000000, 0.345847400000000, 0.783753760000000 ] mass: 207.200000 - symbol: Pb # 10 coordinates: [ 0.442537690000000, 0.442537690000000, 0.240879810000000 ] mass: 207.200000 - symbol: Pb # 11 coordinates: [ 0.201929580000000, 0.201929580000000, 0.281731080000000 ] mass: 207.200000 - symbol: Pb # 12 coordinates: [ 0.361133790000000, 0.894459690000000, 0.546902330000000 ] mass: 207.200000 - symbol: Pb # 13 coordinates: [ 0.105540310000000, 0.638866210000000, 0.453097670000000 ] mass: 207.200000 - symbol: Pb # 14 coordinates: [ 0.048969270000000, 0.048969270000000, 0.824555460000000 ] mass: 207.200000 - symbol: Cl # 15 coordinates: [ 0.725159920000000, 0.274840080000000, 0.000000000000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.274840080000000, 0.725159920000000, 0.000000000000000 ] mass: 35.453000 - symbol: O # 17 coordinates: [ 0.523297200000000, 0.960771460000000, 0.268236600000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.668692050000000, 0.668692050000000, 0.992947570000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.349557900000000, 0.349557900000000, 0.379741790000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.325475600000000, 0.883862120000000, 0.754495840000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.883862120000000, 0.325475600000000, 0.754495840000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.674524400000000, 0.116137880000000, 0.245504160000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.331307950000000, 0.331307950000000, 0.007052430000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.116137880000000, 0.674524400000000, 0.245504160000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.960771460000000, 0.523297200000000, 0.268236600000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.178445740000000, 0.178445740000000, 0.031327070000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.039228540000000, 0.476702800000000, 0.731763400000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.650442100000000, 0.650442100000000, 0.620258210000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.821554260000000, 0.821554260000000, 0.968672930000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.476702800000000, 0.039228540000000, 0.731763400000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.054404249120095, -0.123601375808397, 0.029485105281300 ] # a* - [ 0.054404249120095, 0.123601375808397, 0.029485105281300 ] # b* - [ -0.000330757262756, 0.000000000000000, 0.120964535178568 ] # c*unit_cell: lattice: - [ 18.353718709999999, 0.000000000000000, 0.050185170000000 ] # a - [ 0.000000000000000, 8.090524830000000, 0.000000000000000 ] # b - [ -4.473718910000000, 0.000000000000000, 8.254653180000000 ] # c points: - symbol: La # 1 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 2 - symbol: Pb # 5 coordinates: [ 0.798070420000000, 0.000000000000000, 0.718268920000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 6 coordinates: [ 0.627796740000000, 0.733337050000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 6 - symbol: Pb # 7 coordinates: [ 0.951030730000000, 0.000000000000000, 0.175444540000000 ] mass: 207.200000 reduced_to: 7 - symbol: Pb # 8 coordinates: [ 0.557462310000000, 0.000000000000000, 0.759120190000000 ] mass: 207.200000 reduced_to: 8 - symbol: Pb # 9 coordinates: [ 0.872203260000000, 0.233337050000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 10 coordinates: [ 0.654152600000000, 0.000000000000000, 0.216246240000000 ] mass: 207.200000 reduced_to: 10 - symbol: Pb # 11 coordinates: [ 0.845847400000000, 0.500000000000000, 0.783753760000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 12 coordinates: [ 0.942537690000000, 0.500000000000000, 0.240879810000000 ] mass: 207.200000 reduced_to: 12 - symbol: Pb # 13 coordinates: [ 0.701929580000000, 0.500000000000000, 0.281731080000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.627796740000000, 0.266662950000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 15 coordinates: [ 0.872203260000000, 0.766662950000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.548969270000000, 0.500000000000000, 0.824555460000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 17 coordinates: [ 0.298070420000000, 0.500000000000000, 0.718268920000000 ] mass: 207.200000 reduced_to: 5 - symbol: Pb # 18 coordinates: [ 0.127796740000000, 0.233337050000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 6 - symbol: Pb # 19 coordinates: [ 0.451030730000000, 0.500000000000000, 0.175444540000000 ] mass: 207.200000 reduced_to: 7 - symbol: Pb # 20 coordinates: [ 0.057462310000000, 0.500000000000000, 0.759120190000000 ] mass: 207.200000 reduced_to: 8 - symbol: Pb # 21 coordinates: [ 0.372203260000000, 0.733337050000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 22 coordinates: [ 0.154152600000000, 0.500000000000000, 0.216246240000000 ] mass: 207.200000 reduced_to: 10 - symbol: Pb # 23 coordinates: [ 0.345847400000000, 0.000000000000000, 0.783753760000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 24 coordinates: [ 0.442537690000000, 0.000000000000000, 0.240879810000000 ] mass: 207.200000 reduced_to: 12 - symbol: Pb # 25 coordinates: [ 0.201929580000000, 0.000000000000000, 0.281731080000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 26 coordinates: [ 0.127796740000000, 0.766662950000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 27 coordinates: [ 0.372203260000000, 0.266662950000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 28 coordinates: [ 0.048969270000000, 0.000000000000000, 0.824555460000000 ] mass: 207.200000 reduced_to: 16 - symbol: Cl # 29 coordinates: [ 0.500000000000000, 0.774840080000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.000000000000000, 0.725159920000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.000000000000000, 0.274840080000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 32 coordinates: [ 0.500000000000000, 0.225159920000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 30 - symbol: O # 33 coordinates: [ 0.742034330000000, 0.218737130000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.668692050000000, 0.000000000000000, 0.992947570000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.849557900000000, 0.500000000000000, 0.379741790000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.604668860000000, 0.279193260000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.604668860000000, 0.720806740000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.895331140000000, 0.220806740000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.831307950000000, 0.500000000000000, 0.007052430000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.895331140000000, 0.779193260000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.742034330000000, 0.781262870000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.678445740000000, 0.500000000000000, 0.031327070000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.757965670000000, 0.718737130000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.650442100000000, 0.000000000000000, 0.620258210000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.821554260000000, 0.000000000000000, 0.968672930000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.757965670000000, 0.281262870000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.242034330000000, 0.718737130000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.168692050000000, 0.500000000000000, 0.992947570000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 49 coordinates: [ 0.349557900000000, 0.000000000000000, 0.379741790000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 50 coordinates: [ 0.104668860000000, 0.779193260000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 51 coordinates: [ 0.104668860000000, 0.220806740000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 52 coordinates: [ 0.395331140000000, 0.720806740000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 53 coordinates: [ 0.331307950000000, 0.000000000000000, 0.007052430000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 54 coordinates: [ 0.395331140000000, 0.279193260000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 55 coordinates: [ 0.242034330000000, 0.281262870000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 56 coordinates: [ 0.178445740000000, 0.000000000000000, 0.031327070000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 57 coordinates: [ 0.257965670000000, 0.218737130000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 58 coordinates: [ 0.150442100000000, 0.500000000000000, 0.620258210000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 59 coordinates: [ 0.321554260000000, 0.500000000000000, 0.968672930000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 60 coordinates: [ 0.257965670000000, 0.781262870000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 46supercell: lattice: - [ 18.353718709999999, 0.000000000000000, 0.050185170000000 ] # a - [ 0.000000000000000, 16.181049659999999, 0.000000000000000 ] # b - [ -4.473718910000000, 0.000000000000000, 8.254653180000000 ] # c points: - symbol: La # 1 coordinates: [ 0.750000000000000, 0.375000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.750000000000000, 0.875000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.750000000000000, 0.125000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.750000000000000, 0.625000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 5 coordinates: [ 0.250000000000000, 0.125000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 6 coordinates: [ 0.250000000000000, 0.625000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 7 coordinates: [ 0.250000000000000, 0.375000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 8 coordinates: [ 0.250000000000000, 0.875000000000000, 0.000000000000000 ] mass: 138.905470 reduced_to: 3 - symbol: Pb # 9 coordinates: [ 0.798070420000000, 0.000000000000000, 0.718268920000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 10 coordinates: [ 0.798070420000000, 0.500000000000000, 0.718268920000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 11 coordinates: [ 0.627796740000000, 0.366668525000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 12 coordinates: [ 0.627796740000000, 0.866668525000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 13 coordinates: [ 0.951030730000000, 0.000000000000000, 0.175444540000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.951030730000000, 0.500000000000000, 0.175444540000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 15 coordinates: [ 0.557462310000000, 0.000000000000000, 0.759120190000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.557462310000000, 0.500000000000000, 0.759120190000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 17 coordinates: [ 0.872203260000000, 0.116668525000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.872203260000000, 0.616668525000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 19 coordinates: [ 0.654152600000000, 0.000000000000000, 0.216246240000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.654152600000000, 0.500000000000000, 0.216246240000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 21 coordinates: [ 0.845847400000000, 0.250000000000000, 0.783753760000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.845847400000000, 0.750000000000000, 0.783753760000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 23 coordinates: [ 0.942537690000000, 0.250000000000000, 0.240879810000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.942537690000000, 0.750000000000000, 0.240879810000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 25 coordinates: [ 0.701929580000000, 0.250000000000000, 0.281731080000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.701929580000000, 0.750000000000000, 0.281731080000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 27 coordinates: [ 0.627796740000000, 0.133331475000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.627796740000000, 0.633331475000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 29 coordinates: [ 0.872203260000000, 0.383331475000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 30 coordinates: [ 0.872203260000000, 0.883331475000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 31 coordinates: [ 0.548969270000000, 0.250000000000000, 0.824555460000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 32 coordinates: [ 0.548969270000000, 0.750000000000000, 0.824555460000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 33 coordinates: [ 0.298070420000000, 0.250000000000000, 0.718268920000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 34 coordinates: [ 0.298070420000000, 0.750000000000000, 0.718268920000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 35 coordinates: [ 0.127796740000000, 0.116668525000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 36 coordinates: [ 0.127796740000000, 0.616668525000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 37 coordinates: [ 0.451030730000000, 0.250000000000000, 0.175444540000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 38 coordinates: [ 0.451030730000000, 0.750000000000000, 0.175444540000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 39 coordinates: [ 0.057462310000000, 0.250000000000000, 0.759120190000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 40 coordinates: [ 0.057462310000000, 0.750000000000000, 0.759120190000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 41 coordinates: [ 0.372203260000000, 0.366668525000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 42 coordinates: [ 0.372203260000000, 0.866668525000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 43 coordinates: [ 0.154152600000000, 0.250000000000000, 0.216246240000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 44 coordinates: [ 0.154152600000000, 0.750000000000000, 0.216246240000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 45 coordinates: [ 0.345847400000000, 0.000000000000000, 0.783753760000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 46 coordinates: [ 0.345847400000000, 0.500000000000000, 0.783753760000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 47 coordinates: [ 0.442537690000000, 0.000000000000000, 0.240879810000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 48 coordinates: [ 0.442537690000000, 0.500000000000000, 0.240879810000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 49 coordinates: [ 0.201929580000000, 0.000000000000000, 0.281731080000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 50 coordinates: [ 0.201929580000000, 0.500000000000000, 0.281731080000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 51 coordinates: [ 0.127796740000000, 0.383331475000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 52 coordinates: [ 0.127796740000000, 0.883331475000000, 0.546902330000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 53 coordinates: [ 0.372203260000000, 0.133331475000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 54 coordinates: [ 0.372203260000000, 0.633331475000000, 0.453097670000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 55 coordinates: [ 0.048969270000000, 0.000000000000000, 0.824555460000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 56 coordinates: [ 0.048969270000000, 0.500000000000000, 0.824555460000000 ] mass: 207.200000 reduced_to: 31 - symbol: Cl # 57 coordinates: [ 0.500000000000000, 0.387420040000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.500000000000000, 0.887420040000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.000000000000000, 0.362579960000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 60 coordinates: [ 0.000000000000000, 0.862579960000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 61 coordinates: [ 0.000000000000000, 0.137420040000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 62 coordinates: [ 0.000000000000000, 0.637420040000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 63 coordinates: [ 0.500000000000000, 0.112579960000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 64 coordinates: [ 0.500000000000000, 0.612579960000000, 0.000000000000000 ] mass: 35.453000 reduced_to: 59 - symbol: O # 65 coordinates: [ 0.742034330000000, 0.109368565000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.742034330000000, 0.609368565000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.668692050000000, 0.000000000000000, 0.992947570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.668692050000000, 0.500000000000000, 0.992947570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.849557900000000, 0.250000000000000, 0.379741790000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.849557900000000, 0.750000000000000, 0.379741790000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.604668860000000, 0.139596630000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.604668860000000, 0.639596630000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.604668860000000, 0.360403370000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.604668860000000, 0.860403370000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.895331140000000, 0.110403370000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.895331140000000, 0.610403370000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.831307950000000, 0.250000000000000, 0.007052430000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.831307950000000, 0.750000000000000, 0.007052430000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.895331140000000, 0.389596630000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.895331140000000, 0.889596630000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.742034330000000, 0.390631435000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.742034330000000, 0.890631435000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.678445740000000, 0.250000000000000, 0.031327070000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.678445740000000, 0.750000000000000, 0.031327070000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.757965670000000, 0.359368565000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.757965670000000, 0.859368565000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.650442100000000, 0.000000000000000, 0.620258210000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.650442100000000, 0.500000000000000, 0.620258210000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.821554260000000, 0.000000000000000, 0.968672930000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.821554260000000, 0.500000000000000, 0.968672930000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.757965670000000, 0.140631435000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.757965670000000, 0.640631435000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.242034330000000, 0.359368565000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 94 coordinates: [ 0.242034330000000, 0.859368565000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 95 coordinates: [ 0.168692050000000, 0.250000000000000, 0.992947570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 96 coordinates: [ 0.168692050000000, 0.750000000000000, 0.992947570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 97 coordinates: [ 0.349557900000000, 0.000000000000000, 0.379741790000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 98 coordinates: [ 0.349557900000000, 0.500000000000000, 0.379741790000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 99 coordinates: [ 0.104668860000000, 0.389596630000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 100 coordinates: [ 0.104668860000000, 0.889596630000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 101 coordinates: [ 0.104668860000000, 0.110403370000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 102 coordinates: [ 0.104668860000000, 0.610403370000000, 0.754495840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 103 coordinates: [ 0.395331140000000, 0.360403370000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 104 coordinates: [ 0.395331140000000, 0.860403370000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 105 coordinates: [ 0.331307950000000, 0.000000000000000, 0.007052430000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 106 coordinates: [ 0.331307950000000, 0.500000000000000, 0.007052430000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 107 coordinates: [ 0.395331140000000, 0.139596630000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 108 coordinates: [ 0.395331140000000, 0.639596630000000, 0.245504160000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 109 coordinates: [ 0.242034330000000, 0.140631435000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 110 coordinates: [ 0.242034330000000, 0.640631435000000, 0.268236600000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 111 coordinates: [ 0.178445740000000, 0.000000000000000, 0.031327070000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 112 coordinates: [ 0.178445740000000, 0.500000000000000, 0.031327070000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 113 coordinates: [ 0.257965670000000, 0.109368565000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 114 coordinates: [ 0.257965670000000, 0.609368565000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 115 coordinates: [ 0.150442100000000, 0.250000000000000, 0.620258210000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 116 coordinates: [ 0.150442100000000, 0.750000000000000, 0.620258210000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 117 coordinates: [ 0.321554260000000, 0.250000000000000, 0.968672930000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 118 coordinates: [ 0.321554260000000, 0.750000000000000, 0.968672930000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 119 coordinates: [ 0.257965670000000, 0.390631435000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 120 coordinates: [ 0.257965670000000, 0.890631435000000, 0.731763400000000 ] mass: 15.999400 reduced_to: 91displacements:- atom: 1 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ -0.0846189300000000, 0.0015257700000000, -0.0021111200000000 ] - [ -0.0013354100000000, 0.0000348300000000, -0.0004266800000000 ] - [ -0.0112039200000000, -0.0001524900000000, -0.0003611500000000 ] - [ -0.0112090100000000, -0.0001789300000000, -0.0003517000000000 ] - [ 0.0012852800000000, -0.0001678900000000, 0.0007522300000000 ] - [ 0.0012824300000000, -0.0001639500000000, 0.0007531100000000 ] - [ 0.0017230500000000, 0.0003552100000000, 0.0010943500000000 ] - [ 0.0008732400000000, -0.0000189800000000, 0.0004531100000000 ] - [ -0.0003649300000000, -0.0010117600000000, -0.0004137300000000 ] - [ 0.0021066000000000, 0.0082584300000000, -0.0121289600000000 ] - [ -0.0113145100000000, -0.0002956200000000, 0.0002569500000000 ] - [ -0.0007970100000000, 0.0000383500000000, -0.0002733500000000 ] - [ -0.0001260500000000, -0.0013306500000000, -0.0004796900000000 ] - [ 0.0096858400000000, 0.0102201900000000, 0.0063214300000000 ] - [ -0.0004984700000000, 0.0012875200000000, 0.0001032700000000 ] - [ 0.0054622300000000, -0.0099295900000000, 0.0104824600000000 ] - [ -0.0015815400000000, -0.0003664600000000, -0.0007160200000000 ] - [ -0.0020796100000000, 0.0005573100000000, -0.0009223600000000 ] - [ -0.0001369400000000, 0.0009262200000000, -0.0000935400000000 ] - [ 0.0076403000000000, -0.0084305000000000, -0.0087691600000000 ] - [ 0.0073952600000000, -0.0085026200000000, -0.0089448600000000 ] - [ -0.0004197300000000, 0.0009245700000000, -0.0002014900000000 ] - [ 0.0061559000000000, -0.0100018900000000, 0.0102575300000000 ] - [ 0.0001689300000000, 0.0012893200000000, -0.0001888100000000 ] - [ 0.0016928800000000, 0.0082193600000000, -0.0120912800000000 ] - [ -0.0007763600000000, -0.0010114200000000, -0.0004382700000000 ] - [ -0.0025861900000000, 0.0005395000000000, -0.0009162900000000 ] - [ -0.0020885700000000, -0.0003885000000000, -0.0007093200000000 ] - [ -0.0108248600000000, -0.0003210200000000, 0.0002387400000000 ] - [ -0.0002888200000000, 0.0000188300000000, -0.0002809300000000 ] - [ 0.0099241200000000, 0.0101253400000000, 0.0065141500000000 ] - [ 0.0001761900000000, -0.0013318200000000, -0.0002306000000000 ] - [ 0.0018017800000000, 0.0001444300000000, 0.0005384200000000 ] - [ 0.0008104600000000, -0.0001490800000000, 0.0003656600000000 ] - [ 0.0006141400000000, -0.0003390200000000, 0.0009496400000000 ] - [ 0.0004179400000000, 0.0003730500000000, 0.0009207900000000 ] - [ 0.0012686100000000, 0.0008188400000000, -0.0002816400000000 ] - [ 0.0004017100000000, -0.0006269700000000, -0.0000832400000000 ] - [ 0.0007974500000000, -0.0004061500000000, 0.0002905400000000 ] - [ 0.0000708800000000, 0.0003385300000000, 0.0001413500000000 ] - [ 0.0014586300000000, -0.0001071300000000, 0.0018442200000000 ] - [ 0.0006585900000000, 0.0000170200000000, 0.0002539000000000 ] - [ 0.0022274000000000, -0.0003015300000000, 0.0009708700000000 ] - [ 0.0009916200000000, 0.0001365600000000, 0.0004915000000000 ] - [ 0.0007104600000000, 0.0001359600000000, 0.0003849000000000 ] - [ 0.0019391800000000, -0.0002964400000000, 0.0008611300000000 ] - [ 0.0007393500000000, 0.0003375500000000, -0.0001502500000000 ] - [ 0.0014629900000000, -0.0004020500000000, 0.0000033600000000 ] - [ 0.0003996200000000, -0.0001502700000000, 0.0003404800000000 ] - [ 0.0013922400000000, 0.0001451200000000, 0.0005147100000000 ] - [ 0.0009471200000000, -0.0001255100000000, 0.0018463600000000 ] - [ 0.0001497900000000, -0.0000036200000000, 0.0002624400000000 ] - [ 0.0009274700000000, 0.0003520500000000, 0.0009133300000000 ] - [ 0.0011239400000000, -0.0003595300000000, 0.0009415900000000 ] - [ 0.0007012000000000, -0.0006265700000000, 0.0001656100000000 ] - [ 0.0015747900000000, 0.0008250100000000, -0.0000369300000000 ] - [ -0.0027207000000000, 0.0003835400000000, 0.0000545400000000 ] - [ -0.0001545100000000, 0.0001902900000000, 0.0000189000000000 ] - [ -0.0027499400000000, 0.0001118800000000, 0.0000547000000000 ] - [ -0.0001539800000000, -0.0000846300000000, 0.0000191300000000 ] - [ -0.0012694800000000, 0.0012160300000000, -0.0002528700000000 ] - [ -0.0009998500000000, -0.0012081000000000, 0.0004683100000000 ] - [ -0.0010036600000000, -0.0014847300000000, 0.0004673400000000 ] - [ -0.0012762000000000, 0.0009431000000000, -0.0002544800000000 ] - [ 0.0025808800000000, -0.0028773300000000, 0.0016237600000000 ] - [ 0.0031361900000000, 0.0030449600000000, 0.0026548400000000 ] - [ 0.0008131100000000, 0.0000242500000000, 0.0004163600000000 ] - [ 0.0071559500000000, -0.0015175000000000, 0.0002647500000000 ] - [ 0.0053703700000000, 0.0007662000000000, 0.0007645100000000 ] - [ 0.0011378200000000, -0.0004072700000000, 0.0004141300000000 ] - [ 0.0020257400000000, -0.0032375300000000, -0.0013358000000000 ] - [ 0.0016596000000000, 0.0031362600000000, -0.0006727300000000 ] - [ 0.0064831300000000, -0.0001018700000000, -0.0050331400000000 ] - [ 0.0005723600000000, 0.0000970300000000, 0.0000357200000000 ] - [ 0.0018306000000000, 0.0030148000000000, -0.0007261900000000 ] - [ 0.0021988400000000, -0.0033650600000000, -0.0013904800000000 ] - [ 0.0074759700000000, -0.0019304100000000, -0.0000591300000000 ] - [ 0.0008481000000000, 0.0000247400000000, 0.0000797700000000 ] - [ 0.0069339900000000, 0.0000504500000000, -0.0048047600000000 ] - [ 0.0007430600000000, 0.0002178300000000, -0.0000202000000000 ] - [ 0.0083829000000000, 0.0000989900000000, 0.0068559600000000 ] - [ 0.0010694300000000, -0.0001029300000000, 0.0005046100000000 ] - [ 0.0072332900000000, 0.0007830000000000, 0.0015568000000000 ] - [ 0.0009152500000000, 0.0000087500000000, 0.0005669500000000 ] - [ 0.0083133100000000, -0.0002233400000000, 0.0065095200000000 ] - [ 0.0008203600000000, -0.0004017600000000, 0.0003629200000000 ] - [ 0.0011534700000000, -0.0004065200000000, 0.0002548300000000 ] - [ 0.0053819800000000, 0.0007724900000000, 0.0005979400000000 ] - [ 0.0006715600000000, 0.0000082900000000, 0.0001341600000000 ] - [ 0.0072694600000000, 0.0011713800000000, 0.0010776700000000 ] - [ 0.0028897700000000, 0.0033481600000000, 0.0025083800000000 ] - [ 0.0023305000000000, -0.0025738000000000, 0.0014779600000000 ] - [ -0.0017714100000000, -0.0006060300000000, -0.0014193400000000 ] - [ -0.0005641400000000, -0.0003294300000000, -0.0002951700000000 ] - [ -0.0010714800000000, 0.0001026000000000, -0.0002389800000000 ] - [ -0.0005142900000000, -0.0000323100000000, -0.0001097500000000 ] - [ -0.0006812700000000, -0.0003286000000000, -0.0002249100000000 ] - [ -0.0017715400000000, 0.0003742300000000, -0.0007437400000000 ] - [ -0.0004272300000000, 0.0000664500000000, -0.0001549300000000 ] - [ -0.0005414200000000, 0.0002319600000000, -0.0000267900000000 ] - [ -0.0003770000000000, 0.0002702600000000, -0.0002554100000000 ] - [ -0.0007385600000000, -0.0006531400000000, -0.0001273000000000 ] - [ -0.0002565000000000, -0.0000549700000000, -0.0002137200000000 ] - [ -0.0003726900000000, 0.0001111300000000, -0.0000834700000000 ] - [ -0.0004785800000000, -0.0000320900000000, -0.0004483500000000 ] - [ -0.0010346600000000, 0.0001006200000000, -0.0005787000000000 ] - [ -0.0005672700000000, -0.0005293200000000, -0.0001837000000000 ] - [ -0.0002078400000000, 0.0003901000000000, -0.0003117100000000 ] - [ -0.0012568000000000, 0.0008499100000000, -0.0008508300000000 ] - [ -0.0009932700000000, 0.0001291500000000, -0.0006929000000000 ] - [ -0.0003056500000000, 0.0001129000000000, -0.0001079600000000 ] - [ -0.0006317600000000, -0.0001535800000000, -0.0003319800000000 ] - [ -0.0012411900000000, -0.0001697800000000, -0.0008353900000000 ] - [ -0.0015026900000000, 0.0005471700000000, -0.0009929000000000 ] - [ -0.0017559500000000, 0.0003729400000000, -0.0009043200000000 ] - [ -0.0006647100000000, -0.0003297700000000, -0.0003852800000000 ] - [ -0.0008744500000000, -0.0001531600000000, -0.0007650600000000 ] - [ -0.0005501300000000, 0.0001122700000000, -0.0005417500000000 ] - [ -0.0020139000000000, -0.0003057800000000, -0.0015576000000000 ] - [ -0.0008110600000000, -0.0000302200000000, -0.0004395000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015254100000000, -0.1010898400000000, 0.0035630400000000 ] - [ 0.0000427600000000, 0.0036234200000000, -0.0002998100000000 ] - [ 0.0001656400000000, 0.0206968200000000, 0.0001476500000000 ] - [ 0.0001676000000000, 0.0209775600000000, 0.0001519000000000 ] - [ -0.0001695800000000, 0.0001965500000000, -0.0000541800000000 ] - [ -0.0001621900000000, 0.0001877300000000, -0.0000481900000000 ] - [ -0.0003490900000000, -0.0014664300000000, -0.0000744200000000 ] - [ 0.0000186100000000, 0.0011117500000000, 0.0000115900000000 ] - [ 0.0001650400000000, 0.0028868200000000, 0.0002612700000000 ] - [ 0.0061773300000000, -0.0012210500000000, -0.0124526700000000 ] - [ -0.0002001300000000, -0.0054577700000000, 0.0015510200000000 ] - [ -0.0002226000000000, 0.0014370900000000, 0.0003022400000000 ] - [ -0.0010192300000000, 0.0026718200000000, -0.0004296600000000 ] - [ 0.0095324600000000, -0.0002160000000000, 0.0092426700000000 ] - [ 0.0001951800000000, 0.0026344100000000, 0.0005163600000000 ] - [ -0.0093672200000000, -0.0010515400000000, -0.0120930000000000 ] - [ -0.0002082200000000, 0.0015099400000000, -0.0007867000000000 ] - [ 0.0008170800000000, 0.0012057700000000, 0.0016210400000000 ] - [ 0.0007538500000000, 0.0025302900000000, -0.0000381800000000 ] - [ -0.0080835400000000, -0.0000908900000000, 0.0097933100000000 ] - [ -0.0083176600000000, -0.0000495300000000, 0.0095957000000000 ] - [ 0.0004671700000000, 0.0025223600000000, -0.0001548900000000 ] - [ -0.0086533900000000, -0.0010011100000000, -0.0122826500000000 ] - [ 0.0008479400000000, 0.0026389700000000, 0.0002395500000000 ] - [ 0.0057441900000000, -0.0011745400000000, -0.0123899300000000 ] - [ -0.0002100400000000, 0.0028853000000000, 0.0002301300000000 ] - [ 0.0003165200000000, 0.0011573400000000, 0.0016336600000000 ] - [ -0.0007082200000000, 0.0014640900000000, -0.0007645100000000 ] - [ 0.0002971700000000, -0.0054837000000000, 0.0014611600000000 ] - [ 0.0002814000000000, 0.0013883600000000, 0.0002786300000000 ] - [ 0.0098001400000000, -0.0001663100000000, 0.0094447600000000 ] - [ -0.0006973800000000, 0.0026714200000000, -0.0001590400000000 ] - [ 0.0003876100000000, -0.0007524100000000, -0.0001810800000000 ] - [ 0.0000755300000000, 0.0007501300000000, -0.0000299000000000 ] - [ -0.0008338900000000, 0.0002276800000000, -0.0006754400000000 ] - [ -0.0000307600000000, 0.0003363500000000, 0.0007101600000000 ] - [ 0.0003862100000000, -0.0011904100000000, -0.0000431700000000 ] - [ -0.0007097600000000, 0.0012401000000000, -0.0001585200000000 ] - [ -0.0012150900000000, -0.0009045700000000, -0.0004825800000000 ] - [ 0.0000635200000000, 0.0008607600000000, 0.0002689600000000 ] - [ -0.0001316900000000, -0.0010910600000000, 0.0000400700000000 ] - [ 0.0003099600000000, 0.0006161900000000, 0.0000024400000000 ] - [ -0.0004346100000000, -0.0008618000000000, -0.0002134700000000 ] - [ 0.0004941600000000, 0.0008818800000000, 0.0001969500000000 ] - [ 0.0001964500000000, 0.0008847800000000, 0.0000877600000000 ] - [ -0.0007330600000000, -0.0008638500000000, -0.0003233600000000 ] - [ 0.0007112800000000, 0.0008618900000000, -0.0000163800000000 ] - [ -0.0005672700000000, -0.0009099000000000, -0.0007677200000000 ] - [ -0.0003005200000000, 0.0007528300000000, -0.0000637600000000 ] - [ 0.0000115900000000, -0.0007565200000000, -0.0002189500000000 ] - [ -0.0006364600000000, -0.0011358200000000, 0.0000626700000000 ] - [ -0.0001875900000000, 0.0005682800000000, 0.0000279600000000 ] - [ 0.0004667300000000, 0.0002900600000000, 0.0006858900000000 ] - [ -0.0003343700000000, 0.0001781700000000, -0.0007060200000000 ] - [ -0.0003792400000000, 0.0012444500000000, 0.0001158300000000 ] - [ 0.0007119800000000, -0.0011981400000000, 0.0002288200000000 ] - [ 0.0004805700000000, 0.0024276800000000, 0.0003653400000000 ] - [ -0.0001155400000000, -0.0009553700000000, -0.0001730400000000 ] - [ 0.0004771400000000, 0.0021478400000000, 0.0003654100000000 ] - [ -0.0001187400000000, -0.0012328000000000, -0.0001727400000000 ] - [ 0.0012191900000000, -0.0004828000000000, 0.0002406400000000 ] - [ -0.0008392500000000, -0.0003976900000000, 0.0000354900000000 ] - [ -0.0008419700000000, -0.0006849800000000, 0.0000374300000000 ] - [ 0.0012124200000000, -0.0007522200000000, 0.0002382100000000 ] - [ -0.0009290400000000, -0.0024392100000000, 0.0019775800000000 ] - [ 0.0002806000000000, -0.0030265600000000, -0.0028161500000000 ] - [ -0.0011075800000000, -0.0027926700000000, 0.0000520200000000 ] - [ 0.0020796900000000, 0.0111665700000000, 0.0011406600000000 ] - [ 0.0010929500000000, 0.0016857000000000, 0.0035718500000000 ] - [ -0.0002206100000000, -0.0024164900000000, -0.0002663600000000 ] - [ -0.0012403400000000, -0.0024900900000000, -0.0025712100000000 ] - [ 0.0015185000000000, -0.0022820900000000, 0.0017217200000000 ] - [ -0.0001067300000000, 0.0099958600000000, -0.0012688300000000 ] - [ -0.0002367400000000, -0.0019697000000000, 0.0002710800000000 ] - [ 0.0016808900000000, -0.0023973700000000, 0.0016637500000000 ] - [ -0.0010832900000000, -0.0026137200000000, -0.0026361900000000 ] - [ 0.0026341600000000, 0.0103943000000000, 0.0008263500000000 ] - [ -0.0010666400000000, -0.0028025800000000, -0.0002848000000000 ] - [ 0.0001125700000000, 0.0101195200000000, -0.0012650100000000 ] - [ -0.0000613400000000, -0.0018538600000000, 0.0002261000000000 ] - [ -0.0003958000000000, 0.0107027000000000, -0.0013811100000000 ] - [ 0.0003479600000000, -0.0020623600000000, 0.0003587100000000 ] - [ -0.0029746600000000, 0.0095998900000000, 0.0010242500000000 ] - [ 0.0011425500000000, -0.0027791500000000, 0.0002671600000000 ] - [ -0.0005979600000000, 0.0103982500000000, -0.0015829400000000 ] - [ 0.0001076200000000, -0.0023574400000000, 0.0002105700000000 ] - [ -0.0002039700000000, -0.0024172300000000, -0.0004276400000000 ] - [ 0.0011091400000000, 0.0017138900000000, 0.0034428900000000 ] - [ 0.0009017900000000, -0.0027689700000000, -0.0001692100000000 ] - [ -0.0027259500000000, 0.0103496500000000, 0.0005123800000000 ] - [ 0.0000261000000000, -0.0027255200000000, -0.0029524100000000 ] - [ -0.0011793900000000, -0.0021400400000000, 0.0018369200000000 ] - [ 0.0004808700000000, 0.0009288500000000, 0.0002207700000000 ] - [ -0.0001453900000000, -0.0009925600000000, -0.0000680200000000 ] - [ 0.0005946600000000, 0.0004422500000000, 0.0006454000000000 ] - [ -0.0002629200000000, -0.0004374700000000, 0.0000524800000000 ] - [ -0.0000653400000000, -0.0009255000000000, 0.0000088600000000 ] - [ 0.0006959100000000, 0.0009472200000000, 0.0004695600000000 ] - [ -0.0001610300000000, 0.0012433300000000, 0.0000194000000000 ] - [ 0.0001544200000000, -0.0009560000000000, -0.0001497500000000 ] - [ 0.0000044000000000, -0.0002475300000000, 0.0001982800000000 ] - [ 0.0000251300000000, -0.0000014500000000, -0.0002729300000000 ] - [ 0.0000104600000000, 0.0011264300000000, -0.0000280900000000 ] - [ 0.0003300900000000, -0.0010736100000000, -0.0001956700000000 ] - [ -0.0002146300000000, -0.0004387700000000, -0.0002847500000000 ] - [ 0.0006453900000000, 0.0004433800000000, 0.0003095000000000 ] - [ 0.0002005500000000, 0.0001132800000000, -0.0003181800000000 ] - [ 0.0001772800000000, -0.0001265200000000, 0.0001521400000000 ] - [ -0.0001957100000000, -0.0000575400000000, -0.0002650900000000 ] - [ 0.0005755300000000, 0.0001331100000000, 0.0004758100000000 ] - [ 0.0003571300000000, -0.0004384200000000, 0.0003335400000000 ] - [ -0.0000782500000000, 0.0004536200000000, 0.0001763200000000 ] - [ 0.0003310000000000, -0.0001654800000000, 0.0003227100000000 ] - [ -0.0004380100000000, -0.0003532600000000, -0.0004181200000000 ] - [ 0.0007099800000000, 0.0009438100000000, 0.0003053500000000 ] - [ -0.0000511300000000, -0.0009246500000000, -0.0001548900000000 ] - [ -0.0003113600000000, 0.0004512700000000, -0.0002634500000000 ] - [ 0.0001277900000000, -0.0004366900000000, -0.0001025400000000 ] - [ 0.0002437700000000, 0.0012256400000000, 0.0000697600000000 ] - [ -0.0003866200000000, -0.0006958600000000, -0.0002223000000000 ]- atom: 1 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ 0.0386410300000000, 0.0024055200000000, -0.0597772500000000 ] - [ 0.0002605100000000, -0.0002777200000000, -0.0003876100000000 ] - [ 0.0050392000000000, -0.0000237600000000, -0.0033539200000000 ] - [ 0.0050319200000000, -0.0000824300000000, -0.0033576600000000 ] - [ 0.0000432900000000, 0.0000265000000000, 0.0001274300000000 ] - [ 0.0000498700000000, 0.0000405100000000, 0.0001179900000000 ] - [ 0.0001540000000000, -0.0000999900000000, 0.0004327200000000 ] - [ -0.0000352500000000, -0.0000038000000000, 0.0000469200000000 ] - [ 0.0000161300000000, 0.0010317800000000, -0.0000068000000000 ] - [ -0.0077734600000000, -0.0138560200000000, 0.0083088200000000 ] - [ 0.0052202700000000, -0.0009115600000000, 0.0170220200000000 ] - [ -0.0001627000000000, -0.0001552500000000, 0.0000539200000000 ] - [ 0.0002615400000000, -0.0000836600000000, -0.0004529800000000 ] - [ -0.0000549400000000, 0.0031165800000000, -0.0072188800000000 ] - [ -0.0003210600000000, -0.0000252600000000, -0.0001418200000000 ] - [ 0.0025164000000000, -0.0047538900000000, -0.0050801400000000 ] - [ 0.0009034700000000, -0.0019994900000000, 0.0012069300000000 ] - [ 0.0011552600000000, 0.0009180700000000, 0.0014369900000000 ] - [ -0.0005906600000000, -0.0010406800000000, -0.0003542800000000 ] - [ -0.0105295100000000, 0.0120072000000000, 0.0017650900000000 ] - [ -0.0107044000000000, 0.0118589600000000, 0.0016969900000000 ] - [ -0.0008615700000000, -0.0010395200000000, -0.0004696900000000 ] - [ 0.0031692300000000, -0.0047211100000000, -0.0054246400000000 ] - [ 0.0003528700000000, -0.0000266800000000, -0.0004225100000000 ] - [ -0.0082688300000000, -0.0140418000000000, 0.0083148700000000 ] - [ -0.0003897800000000, 0.0010366800000000, -0.0000323700000000 ] - [ 0.0006453400000000, 0.0008752000000000, 0.0014400100000000 ] - [ 0.0003948700000000, -0.0020181000000000, 0.0012123900000000 ] - [ 0.0058484100000000, -0.0009457300000000, 0.0172246200000000 ] - [ 0.0003418500000000, -0.0001925400000000, 0.0000512900000000 ] - [ 0.0002769400000000, 0.0031451700000000, -0.0069428300000000 ] - [ 0.0005637300000000, -0.0000863200000000, -0.0001974300000000 ] - [ 0.0000685500000000, -0.0001558100000000, 0.0000443100000000 ] - [ 0.0001177400000000, 0.0000966700000000, -0.0000391500000000 ] - [ -0.0001493200000000, 0.0001027600000000, -0.0000250100000000 ] - [ -0.0002583800000000, 0.0000226400000000, -0.0001423800000000 ] - [ -0.0001811300000000, 0.0002152100000000, 0.0005442300000000 ] - [ -0.0002876300000000, 0.0001070900000000, 0.0001693700000000 ] - [ -0.0002481600000000, -0.0003920500000000, 0.0007916000000000 ] - [ -0.0002896300000000, 0.0000524400000000, 0.0001904400000000 ] - [ 0.0008193800000000, -0.0001561100000000, 0.0000996800000000 ] - [ 0.0002522100000000, -0.0000004700000000, -0.0000081300000000 ] - [ -0.0003341800000000, 0.0001846700000000, -0.0000586500000000 ] - [ 0.0000840400000000, -0.0000363000000000, 0.0000760900000000 ] - [ -0.0001875600000000, -0.0000384400000000, -0.0000444300000000 ] - [ -0.0006070000000000, 0.0001837300000000, -0.0001821900000000 ] - [ 0.0003795400000000, 0.0000524800000000, -0.0000889300000000 ] - [ 0.0004220400000000, -0.0003923900000000, 0.0005112400000000 ] - [ -0.0002864700000000, 0.0000953800000000, -0.0000588600000000 ] - [ -0.0003453600000000, -0.0001579500000000, 0.0000270400000000 ] - [ 0.0003164400000000, -0.0001867200000000, 0.0000854600000000 ] - [ -0.0002497200000000, -0.0000401500000000, -0.0000038500000000 ] - [ 0.0002443200000000, -0.0000151700000000, -0.0001416700000000 ] - [ 0.0003523500000000, 0.0000690200000000, -0.0000145200000000 ] - [ 0.0000086700000000, 0.0001015800000000, 0.0004257200000000 ] - [ 0.0001228800000000, 0.0002206300000000, 0.0008020000000000 ] - [ 0.0012647400000000, 0.0004193500000000, 0.0006175200000000 ] - [ 0.0000841900000000, 0.0002808500000000, 0.0001311000000000 ] - [ 0.0012594800000000, 0.0001444000000000, 0.0006084700000000 ] - [ 0.0000844100000000, 0.0000079300000000, 0.0001297500000000 ] - [ 0.0009163100000000, -0.0007101900000000, 0.0011020700000000 ] - [ 0.0000974100000000, -0.0002996300000000, 0.0004639700000000 ] - [ 0.0000930400000000, -0.0005771400000000, 0.0004680300000000 ] - [ 0.0009168500000000, -0.0009860200000000, 0.0011109700000000 ] - [ -0.0007436300000000, 0.0028044000000000, 0.0001176800000000 ] - [ -0.0011378400000000, -0.0028859000000000, -0.0008239100000000 ] - [ -0.0001039400000000, 0.0001329100000000, 0.0006610000000000 ] - [ -0.0032625700000000, 0.0007832600000000, 0.0071796600000000 ] - [ -0.0020133000000000, 0.0051768600000000, -0.0031540700000000 ] - [ -0.0002723400000000, -0.0001997800000000, 0.0001205800000000 ] - [ -0.0006125700000000, 0.0001370400000000, 0.0007012700000000 ] - [ -0.0004801400000000, 0.0003501500000000, 0.0010224100000000 ] - [ -0.0048476700000000, -0.0000475100000000, 0.0045139100000000 ] - [ -0.0002332900000000, -0.0000955800000000, 0.0001452200000000 ] - [ -0.0003148500000000, 0.0002191500000000, 0.0009791500000000 ] - [ -0.0004452200000000, 0.0000237900000000, 0.0006567700000000 ] - [ -0.0031626700000000, 0.0007196200000000, 0.0068391800000000 ] - [ -0.0000741200000000, 0.0001383800000000, 0.0003190300000000 ] - [ -0.0045874200000000, 0.0000936900000000, 0.0046431700000000 ] - [ -0.0000585300000000, 0.0000245100000000, 0.0000891700000000 ] - [ -0.0008006200000000, -0.0000762400000000, -0.0016983500000000 ] - [ -0.0000580700000000, 0.0002791500000000, 0.0001145600000000 ] - [ -0.0023997800000000, -0.0007866200000000, 0.0064678900000000 ] - [ -0.0001481300000000, 0.0001587000000000, 0.0006027900000000 ] - [ -0.0005638500000000, -0.0004584300000000, -0.0026073500000000 ] - [ -0.0002993600000000, -0.0000159500000000, -0.0000307700000000 ] - [ -0.0002531600000000, -0.0001972900000000, -0.0000524400000000 ] - [ -0.0019682200000000, 0.0051277400000000, -0.0032957000000000 ] - [ -0.0003940400000000, 0.0001548200000000, 0.0001649500000000 ] - [ -0.0025274800000000, -0.0006428800000000, 0.0060011900000000 ] - [ -0.0013715100000000, -0.0025753400000000, -0.0009812900000000 ] - [ -0.0009754100000000, 0.0030904500000000, -0.0000452900000000 ] - [ 0.0000918600000000, -0.0000470100000000, -0.0000983500000000 ] - [ 0.0001612100000000, -0.0001276400000000, 0.0000705800000000 ] - [ -0.0001602500000000, -0.0000700900000000, -0.0003035600000000 ] - [ -0.0000301300000000, -0.0000022000000000, 0.0001178600000000 ] - [ 0.0000272400000000, 0.0000272200000000, 0.0001156800000000 ] - [ 0.0001526800000000, 0.0000303500000000, 0.0001751300000000 ] - [ -0.0006153700000000, 0.0000756600000000, -0.0005174000000000 ] - [ -0.0000724000000000, 0.0000049300000000, 0.0000251000000000 ] - [ -0.0002496200000000, 0.0001597600000000, -0.0000351300000000 ] - [ -0.0001505500000000, -0.0000892300000000, 0.0001044600000000 ] - [ -0.0004318500000000, -0.0000450700000000, -0.0005755500000000 ] - [ 0.0001038400000000, -0.0001150300000000, -0.0000332500000000 ] - [ -0.0000039200000000, -0.0000034800000000, -0.0002192600000000 ] - [ -0.0001314900000000, -0.0000714200000000, -0.0006394900000000 ] - [ 0.0000282900000000, 0.0000330500000000, 0.0000451300000000 ] - [ -0.0000701400000000, 0.0002778300000000, -0.0000925400000000 ] - [ 0.0003288300000000, 0.0000195800000000, 0.0001448100000000 ] - [ 0.0000910500000000, 0.0001143000000000, 0.0000166700000000 ] - [ 0.0001246900000000, -0.0000534900000000, 0.0001065200000000 ] - [ -0.0001574900000000, 0.0000994000000000, -0.0001264600000000 ] - [ -0.0001490200000000, -0.0001852300000000, -0.0001259400000000 ] - [ 0.0000873100000000, -0.0002770100000000, 0.0000030100000000 ] - [ 0.0001694000000000, 0.0000290700000000, 0.0000073600000000 ] - [ 0.0000448800000000, 0.0000285800000000, -0.0000549300000000 ] - [ -0.0004040000000000, 0.0000986600000000, -0.0005517300000000 ] - [ -0.0001245900000000, -0.0000541900000000, -0.0003264400000000 ] - [ -0.0001441200000000, 0.0002517100000000, -0.0002369600000000 ] - [ -0.0000806300000000, 0.0001687700000000, -0.0000751700000000 ]- atom: 9 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ -0.0005721500000000, -0.0000287100000000, -0.0005230400000000 ] - [ 0.0019089500000000, 0.0059226200000000, -0.0080529000000000 ] - [ 0.0019089500000000, -0.0059226200000000, -0.0080529000000000 ] - [ -0.0005721500000000, 0.0000287100000000, -0.0005230400000000 ] - [ 0.0015894100000000, 0.0002044500000000, 0.0007138400000000 ] - [ 0.0006040700000000, -0.0001095200000000, 0.0002320300000000 ] - [ 0.0006040700000000, 0.0001095200000000, 0.0002320300000000 ] - [ 0.0015894100000000, -0.0002044500000000, 0.0007138400000000 ] - [ -0.0880737800000000, 0.0000000000000000, 0.0376384000000000 ] - [ -0.0002336000000000, 0.0000000000000000, -0.0001992300000000 ] - [ -0.0004990400000000, -0.0004808700000000, -0.0005513800000000 ] - [ 0.0040744800000000, 0.0132126600000000, 0.0046596000000000 ] - [ -0.0023947000000000, 0.0000000000000000, 0.0006691600000000 ] - [ -0.0002205100000000, 0.0000000000000000, -0.0003478000000000 ] - [ 0.0055634500000000, 0.0000000000000000, -0.0026728700000000 ] - [ -0.0001977700000000, 0.0000000000000000, 0.0000230900000000 ] - [ 0.0023155400000000, 0.0033148500000000, -0.0049791300000000 ] - [ -0.0000322200000000, -0.0005253200000000, 0.0000833000000000 ] - [ -0.0013240300000000, 0.0000000000000000, -0.0027456800000000 ] - [ -0.0001946900000000, 0.0000000000000000, -0.0000857800000000 ] - [ -0.0017770200000000, 0.0005467300000000, -0.0011530000000000 ] - [ -0.0017770200000000, -0.0005467300000000, -0.0011530000000000 ] - [ 0.0000957000000000, 0.0008005200000000, -0.0004274900000000 ] - [ 0.0000957000000000, -0.0008005200000000, -0.0004274900000000 ] - [ -0.0012815100000000, 0.0005758000000000, -0.0003242700000000 ] - [ -0.0012815100000000, -0.0005758000000000, -0.0003242700000000 ] - [ 0.0040744800000000, -0.0132126600000000, 0.0046596000000000 ] - [ -0.0004990400000000, 0.0004808700000000, -0.0005513800000000 ] - [ -0.0000322200000000, 0.0005253200000000, 0.0000833000000000 ] - [ 0.0023155400000000, -0.0033148500000000, -0.0049791300000000 ] - [ 0.0007504600000000, -0.0012356800000000, -0.0004894800000000 ] - [ 0.0007504600000000, 0.0012356800000000, -0.0004894800000000 ] - [ 0.0005344600000000, -0.0000103000000000, 0.0002804900000000 ] - [ 0.0005344600000000, 0.0000103000000000, 0.0002804900000000 ] - [ 0.0005310700000000, 0.0000571400000000, -0.0002977800000000 ] - [ -0.0000520300000000, -0.0000402100000000, 0.0001154200000000 ] - [ 0.0004238200000000, -0.0003562400000000, 0.0003050600000000 ] - [ 0.0004238200000000, 0.0003562400000000, 0.0003050600000000 ] - [ -0.0000295100000000, 0.0009545700000000, 0.0001386800000000 ] - [ -0.0000295100000000, -0.0009545700000000, 0.0001386800000000 ] - [ 0.0006196800000000, -0.0000403400000000, 0.0002172600000000 ] - [ 0.0010072200000000, 0.0000475700000000, 0.0003984600000000 ] - [ 0.0009413900000000, 0.0005539900000000, 0.0004232900000000 ] - [ 0.0009413900000000, -0.0005539900000000, 0.0004232900000000 ] - [ 0.0003241300000000, 0.0000000000000000, 0.0004517200000000 ] - [ 0.0001856700000000, 0.0000000000000000, 0.0001303100000000 ] - [ 0.0017254400000000, 0.0000000000000000, 0.0007300200000000 ] - [ 0.0006220200000000, 0.0000000000000000, -0.0000369200000000 ] - [ 0.0000998500000000, 0.0000000000000000, 0.0010692700000000 ] - [ -0.0000786300000000, 0.0000000000000000, 0.0000896400000000 ] - [ -0.0000520300000000, 0.0000402100000000, 0.0001154200000000 ] - [ 0.0005310700000000, -0.0000571400000000, -0.0002977800000000 ] - [ 0.0010072200000000, -0.0000475700000000, 0.0003984600000000 ] - [ 0.0006196800000000, 0.0000403400000000, 0.0002172600000000 ] - [ 0.0043682700000000, 0.0000000000000000, 0.0008071700000000 ] - [ 0.0000754200000000, 0.0000000000000000, 0.0002747100000000 ] - [ -0.0001210100000000, 0.0004471300000000, 0.0000505000000000 ] - [ -0.0001622200000000, 0.0000817400000000, 0.0002434200000000 ] - [ 0.0002455800000000, -0.0000892200000000, 0.0002549100000000 ] - [ -0.0006813400000000, 0.0012625600000000, -0.0012522500000000 ] - [ -0.0006813400000000, -0.0012625600000000, -0.0012522500000000 ] - [ 0.0002455800000000, 0.0000892200000000, 0.0002549100000000 ] - [ -0.0001622200000000, -0.0000817400000000, 0.0002434200000000 ] - [ -0.0001210100000000, -0.0004471300000000, 0.0000505000000000 ] - [ 0.0011269700000000, -0.0005557700000000, 0.0025418400000000 ] - [ 0.0006684000000000, -0.0000589100000000, 0.0003976800000000 ] - [ -0.0005755800000000, 0.0000000000000000, 0.0031143900000000 ] - [ 0.0001364100000000, 0.0000000000000000, 0.0003499700000000 ] - [ 0.0008164900000000, -0.0019995800000000, 0.0007711500000000 ] - [ 0.0008164900000000, 0.0019995800000000, 0.0007711500000000 ] - [ -0.0013866200000000, 0.0021069600000000, 0.0017379300000000 ] - [ 0.0000618800000000, -0.0002247000000000, 0.0001653800000000 ] - [ 0.0000618800000000, 0.0002247000000000, 0.0001653800000000 ] - [ -0.0013866200000000, -0.0021069600000000, 0.0017379300000000 ] - [ -0.0007554300000000, 0.0001268700000000, 0.0030230100000000 ] - [ 0.0002643100000000, 0.0002583300000000, 0.0001675700000000 ] - [ 0.0005664200000000, 0.0002125800000000, 0.0002702200000000 ] - [ 0.0005664200000000, -0.0002125800000000, 0.0002702200000000 ] - [ 0.0002643100000000, -0.0002583300000000, 0.0001675700000000 ] - [ -0.0007554300000000, -0.0001268700000000, 0.0030230100000000 ] - [ 0.0006684000000000, 0.0000589100000000, 0.0003976800000000 ] - [ 0.0011269700000000, 0.0005557700000000, 0.0025418400000000 ] - [ 0.0003407300000000, 0.0003014500000000, 0.0007570100000000 ] - [ 0.0003407300000000, -0.0003014500000000, 0.0007570100000000 ] - [ 0.0005377100000000, -0.0005670200000000, 0.0003253200000000 ] - [ 0.0154567400000000, 0.0133725300000000, -0.0023728600000000 ] - [ 0.0198616600000000, 0.0000000000000000, -0.0026208600000000 ] - [ 0.0003304600000000, 0.0000000000000000, 0.0004172100000000 ] - [ 0.0214673400000000, 0.0000000000000000, -0.0249943700000000 ] - [ 0.0000833000000000, 0.0000000000000000, 0.0000499000000000 ] - [ 0.0154567400000000, -0.0133725300000000, -0.0023728600000000 ] - [ 0.0005377100000000, 0.0005670200000000, 0.0003253200000000 ] - [ -0.0005138900000000, -0.0006045600000000, -0.0002219300000000 ] - [ -0.0005679700000000, -0.0001536200000000, -0.0005065300000000 ] - [ -0.0004503900000000, -0.0002009400000000, -0.0001266800000000 ] - [ -0.0004503900000000, 0.0002009400000000, -0.0001266800000000 ] - [ -0.0009433700000000, 0.0000000000000000, -0.0001898500000000 ] - [ -0.0003311300000000, 0.0000000000000000, -0.0000271400000000 ] - [ -0.0003047200000000, -0.0002388700000000, -0.0000388200000000 ] - [ -0.0016700200000000, 0.0016289200000000, 0.0005004400000000 ] - [ -0.0016700200000000, -0.0016289200000000, 0.0005004400000000 ] - [ -0.0003047200000000, 0.0002388700000000, -0.0000388200000000 ] - [ -0.0003131600000000, 0.0001337200000000, -0.0000147900000000 ] - [ -0.0005487800000000, -0.0004235000000000, -0.0002318800000000 ] - [ -0.0012247100000000, 0.0000000000000000, -0.0013729000000000 ] - [ -0.0002560000000000, 0.0000000000000000, -0.0003775100000000 ] - [ -0.0005487800000000, 0.0004235000000000, -0.0002318800000000 ] - [ -0.0003131600000000, -0.0001337200000000, -0.0000147900000000 ] - [ -0.0005679700000000, 0.0001536200000000, -0.0005065300000000 ] - [ -0.0005138900000000, 0.0006045600000000, -0.0002219300000000 ] - [ -0.0016359700000000, 0.0000000000000000, -0.0017412900000000 ] - [ 0.0000239000000000, 0.0000000000000000, 0.0001054100000000 ] - [ -0.0007621700000000, 0.0001272900000000, -0.0004057500000000 ] - [ -0.0004469100000000, -0.0000971400000000, -0.0002546200000000 ] - [ -0.0005051100000000, -0.0002179200000000, -0.0001221400000000 ] - [ -0.0005051100000000, 0.0002179200000000, -0.0001221400000000 ] - [ -0.0006397000000000, -0.0000449600000000, -0.0006811700000000 ] - [ -0.0006397000000000, 0.0000449600000000, -0.0006811700000000 ] - [ -0.0004469100000000, 0.0000971400000000, -0.0002546200000000 ] - [ -0.0007621700000000, -0.0001272900000000, -0.0004057500000000 ]- atom: 9 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ 0.0005802300000000, 0.0000179200000000, 0.0005213500000000 ] - [ -0.0018581900000000, -0.0059348900000000, 0.0080908700000000 ] - [ -0.0018581900000000, 0.0059348900000000, 0.0080908700000000 ] - [ 0.0005802300000000, -0.0000179200000000, 0.0005213500000000 ] - [ -0.0015883600000000, -0.0001964000000000, -0.0006986000000000 ] - [ -0.0005973100000000, 0.0001131700000000, -0.0002380700000000 ] - [ -0.0005973100000000, -0.0001131700000000, -0.0002380700000000 ] - [ -0.0015883600000000, 0.0001964000000000, -0.0006986000000000 ] - [ 0.0901454700000000, 0.0000000000000000, -0.0374454600000000 ] - [ 0.0006270000000000, 0.0000000000000000, 0.0002242600000000 ] - [ 0.0000003100000000, 0.0005210500000000, 0.0005713800000000 ] - [ -0.0046021300000000, -0.0133064500000000, -0.0047211800000000 ] - [ 0.0020219700000000, 0.0000000000000000, -0.0009978700000000 ] - [ -0.0000953900000000, 0.0000000000000000, 0.0000866600000000 ] - [ -0.0062722800000000, 0.0000000000000000, 0.0029338800000000 ] - [ -0.0004617600000000, 0.0000000000000000, 0.0002570300000000 ] - [ -0.0018107500000000, -0.0032479700000000, 0.0049163200000000 ] - [ 0.0005347900000000, 0.0005611600000000, -0.0000967900000000 ] - [ 0.0015908800000000, 0.0000000000000000, 0.0028962400000000 ] - [ 0.0004769400000000, 0.0000000000000000, 0.0002048000000000 ] - [ 0.0014604400000000, -0.0005772700000000, 0.0010189800000000 ] - [ 0.0014604400000000, 0.0005772700000000, 0.0010189800000000 ] - [ 0.0005638900000000, -0.0007981200000000, 0.0001440800000000 ] - [ 0.0005638900000000, 0.0007981200000000, 0.0001440800000000 ] - [ 0.0008818000000000, -0.0005761300000000, 0.0003009100000000 ] - [ 0.0008818000000000, 0.0005761300000000, 0.0003009100000000 ] - [ -0.0046021300000000, 0.0133064500000000, -0.0047211800000000 ] - [ 0.0000003100000000, -0.0005210500000000, 0.0005713800000000 ] - [ 0.0005347900000000, -0.0005611600000000, -0.0000967900000000 ] - [ -0.0018107500000000, 0.0032479700000000, 0.0049163200000000 ] - [ -0.0004397500000000, 0.0012398100000000, 0.0007521900000000 ] - [ -0.0004397500000000, -0.0012398100000000, 0.0007521900000000 ] - [ -0.0001390100000000, 0.0000116900000000, -0.0002566100000000 ] - [ -0.0001390100000000, -0.0000116900000000, -0.0002566100000000 ] - [ -0.0010258200000000, -0.0000118600000000, 0.0003015000000000 ] - [ -0.0004487700000000, 0.0000833200000000, -0.0001045400000000 ] - [ -0.0007267100000000, 0.0003513600000000, -0.0005652000000000 ] - [ -0.0007267100000000, -0.0003513600000000, -0.0005652000000000 ] - [ -0.0006334800000000, -0.0009453200000000, 0.0001410400000000 ] - [ -0.0006334800000000, 0.0009453200000000, 0.0001410400000000 ] - [ -0.0001173000000000, 0.0000824800000000, -0.0002247700000000 ] - [ -0.0005021400000000, -0.0000092800000000, -0.0004077200000000 ] - [ -0.0006592800000000, -0.0005509200000000, -0.0003054100000000 ] - [ -0.0006592800000000, 0.0005509200000000, -0.0003054100000000 ] - [ -0.0005985300000000, 0.0000000000000000, -0.0005691800000000 ] - [ -0.0004665400000000, 0.0000000000000000, -0.0002487100000000 ] - [ -0.0010535800000000, 0.0000000000000000, -0.0010037800000000 ] - [ 0.0000428800000000, 0.0000000000000000, -0.0002428800000000 ] - [ -0.0005001900000000, 0.0000000000000000, -0.0010862200000000 ] - [ -0.0003170600000000, 0.0000000000000000, -0.0001167200000000 ] - [ -0.0004487700000000, -0.0000833200000000, -0.0001045400000000 ] - [ -0.0010258200000000, 0.0000118600000000, 0.0003015000000000 ] - [ -0.0005021400000000, 0.0000092800000000, -0.0004077200000000 ] - [ -0.0001173000000000, -0.0000824800000000, -0.0002247700000000 ] - [ -0.0040092300000000, 0.0000000000000000, -0.0005344400000000 ] - [ 0.0002318400000000, 0.0000000000000000, -0.0000110800000000 ] - [ 0.0001210800000000, -0.0001711600000000, -0.0000511300000000 ] - [ 0.0001571700000000, 0.0001899700000000, -0.0002441100000000 ] - [ -0.0002424800000000, -0.0001847100000000, -0.0002520900000000 ] - [ 0.0006864900000000, -0.0015274500000000, 0.0012420700000000 ] - [ 0.0006864900000000, 0.0015274500000000, 0.0012420700000000 ] - [ -0.0002424800000000, 0.0001847100000000, -0.0002520900000000 ] - [ 0.0001571700000000, -0.0001899700000000, -0.0002441100000000 ] - [ 0.0001210800000000, 0.0001711600000000, -0.0000511300000000 ] - [ -0.0008730500000000, 0.0002647800000000, -0.0023890900000000 ] - [ -0.0004270100000000, -0.0002376000000000, -0.0002493200000000 ] - [ 0.0005580700000000, 0.0000000000000000, -0.0028036500000000 ] - [ -0.0001750800000000, 0.0000000000000000, -0.0000117900000000 ] - [ -0.0008314800000000, 0.0019850700000000, -0.0005970600000000 ] - [ -0.0008314800000000, -0.0019850700000000, -0.0005970600000000 ] - [ 0.0012177700000000, -0.0019933100000000, -0.0016902900000000 ] - [ -0.0002399400000000, 0.0003414300000000, -0.0001140200000000 ] - [ -0.0002399400000000, -0.0003414300000000, -0.0001140200000000 ] - [ 0.0012177700000000, 0.0019933100000000, -0.0016902900000000 ] - [ 0.0009222900000000, -0.0002277400000000, -0.0030352200000000 ] - [ -0.0000889000000000, -0.0003768900000000, -0.0002169200000000 ] - [ -0.0005261000000000, -0.0002044300000000, -0.0005891400000000 ] - [ -0.0005261000000000, 0.0002044300000000, -0.0005891400000000 ] - [ -0.0000889000000000, 0.0003768900000000, -0.0002169200000000 ] - [ 0.0009222900000000, 0.0002277400000000, -0.0030352200000000 ] - [ -0.0004270100000000, 0.0002376000000000, -0.0002493200000000 ] - [ -0.0008730500000000, -0.0002647800000000, -0.0023890900000000 ] - [ -0.0001052400000000, -0.0002952700000000, -0.0003206500000000 ] - [ -0.0001052400000000, 0.0002952700000000, -0.0003206500000000 ] - [ -0.0007809200000000, 0.0002835200000000, -0.0004748500000000 ] - [ -0.0156894000000000, -0.0139389000000000, 0.0022313900000000 ] - [ -0.0214863900000000, 0.0000000000000000, 0.0020397000000000 ] - [ -0.0003164600000000, 0.0000000000000000, -0.0005868300000000 ] - [ -0.0216597800000000, 0.0000000000000000, 0.0249374600000000 ] - [ -0.0003239700000000, 0.0000000000000000, -0.0004831900000000 ] - [ -0.0156894000000000, 0.0139389000000000, 0.0022313900000000 ] - [ -0.0007809200000000, -0.0002835200000000, -0.0004748500000000 ] - [ 0.0007508300000000, 0.0003052500000000, 0.0003691000000000 ] - [ 0.0008053700000000, -0.0001412200000000, 0.0006524900000000 ] - [ 0.0004146200000000, 0.0001980600000000, 0.0004629100000000 ] - [ 0.0004146200000000, -0.0001980600000000, 0.0004629100000000 ] - [ 0.0009232500000000, 0.0000000000000000, 0.0003548400000000 ] - [ 0.0003137800000000, 0.0000000000000000, 0.0001947300000000 ] - [ 0.0001282900000000, 0.0003553900000000, 0.0000895200000000 ] - [ 0.0014749100000000, -0.0014884900000000, -0.0004397000000000 ] - [ 0.0014749100000000, 0.0014884900000000, -0.0004397000000000 ] - [ 0.0001282900000000, -0.0003553900000000, 0.0000895200000000 ] - [ 0.0004872600000000, -0.0002512800000000, -0.0000357400000000 ] - [ 0.0007209700000000, 0.0003043900000000, 0.0001796400000000 ] - [ 0.0012516800000000, 0.0000000000000000, 0.0010335100000000 ] - [ 0.0002899000000000, 0.0000000000000000, 0.0000386700000000 ] - [ 0.0007209700000000, -0.0003043900000000, 0.0001796400000000 ] - [ 0.0004872600000000, 0.0002512800000000, -0.0000357400000000 ] - [ 0.0008053700000000, 0.0001412200000000, 0.0006524900000000 ] - [ 0.0007508300000000, -0.0003052500000000, 0.0003691000000000 ] - [ 0.0018566700000000, 0.0000000000000000, 0.0021504900000000 ] - [ 0.0002187100000000, 0.0000000000000000, 0.0003304000000000 ] - [ 0.0005168200000000, -0.0004220600000000, 0.0002566900000000 ] - [ 0.0002059300000000, -0.0001983200000000, 0.0001051700000000 ] - [ 0.0005199000000000, 0.0002143200000000, -0.0000436400000000 ] - [ 0.0005199000000000, -0.0002143200000000, -0.0000436400000000 ] - [ 0.0003959700000000, 0.0000434100000000, 0.0002437600000000 ] - [ 0.0003959700000000, -0.0000434100000000, 0.0002437600000000 ] - [ 0.0002059300000000, 0.0001983200000000, 0.0001051700000000 ] - [ 0.0005168200000000, 0.0004220600000000, 0.0002566900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010105500000000, 0.0028775600000000, 0.0006262600000000 ] - [ 0.0082584400000000, -0.0011635300000000, -0.0113465300000000 ] - [ -0.0082820700000000, -0.0012371800000000, 0.0114253500000000 ] - [ 0.0010054800000000, 0.0028783900000000, -0.0006232900000000 ] - [ 0.0001400000000000, -0.0007643900000000, -0.0001006100000000 ] - [ -0.0001458800000000, 0.0007534900000000, 0.0000259700000000 ] - [ 0.0001523000000000, 0.0007455500000000, -0.0000311500000000 ] - [ -0.0001565900000000, -0.0007593500000000, 0.0001039800000000 ] - [ 0.0007897400000000, -0.0625042500000000, 0.0000410000000000 ] - [ 0.0002052300000000, 0.0037316600000000, 0.0000072400000000 ] - [ -0.0012936300000000, 0.0016036000000000, -0.0006976300000000 ] - [ 0.0163775300000000, 0.0003888000000000, 0.0102622500000000 ] - [ -0.0001694900000000, -0.0041238800000000, -0.0001633200000000 ] - [ -0.0001484800000000, 0.0020495000000000, -0.0001225400000000 ] - [ -0.0003267000000000, -0.0042865300000000, 0.0001337200000000 ] - [ -0.0003355900000000, 0.0014579800000000, 0.0001399400000000 ] - [ 0.0028901800000000, 0.0005104900000000, -0.0017786900000000 ] - [ 0.0000443000000000, 0.0006961900000000, 0.0002615400000000 ] - [ 0.0001357000000000, -0.0028541800000000, 0.0000641700000000 ] - [ 0.0001371200000000, 0.0013679900000000, 0.0000595700000000 ] - [ 0.0054193000000000, 0.0130389900000000, 0.0043334000000000 ] - [ -0.0056626500000000, 0.0129101900000000, -0.0044255900000000 ] - [ 0.0009663400000000, 0.0004551200000000, 0.0017717800000000 ] - [ -0.0002883000000000, 0.0004681200000000, -0.0020321800000000 ] - [ 0.0003789400000000, 0.0009078300000000, -0.0006136500000000 ] - [ -0.0007829200000000, 0.0009095800000000, 0.0005954700000000 ] - [ -0.0170308000000000, 0.0003460800000000, -0.0103633600000000 ] - [ 0.0007827000000000, 0.0015685400000000, 0.0006932600000000 ] - [ 0.0004613300000000, 0.0006598200000000, -0.0002666200000000 ] - [ -0.0023581800000000, 0.0004892900000000, 0.0017860600000000 ] - [ -0.0010942300000000, 0.0012162200000000, 0.0001335900000000 ] - [ 0.0013854000000000, 0.0012095400000000, 0.0001204700000000 ] - [ 0.0002166300000000, 0.0000096200000000, -0.0000528700000000 ] - [ 0.0001902400000000, 0.0000107900000000, 0.0000671600000000 ] - [ -0.0000454500000000, -0.0002640100000000, 0.0002218100000000 ] - [ -0.0004274400000000, 0.0003189000000000, -0.0001650200000000 ] - [ -0.0008829600000000, 0.0003718000000000, -0.0005552200000000 ] - [ 0.0005891300000000, 0.0003715600000000, 0.0003006700000000 ] - [ 0.0007667900000000, 0.0001817400000000, 0.0001556500000000 ] - [ -0.0014355100000000, 0.0001890600000000, 0.0001231600000000 ] - [ 0.0002374400000000, 0.0003472700000000, 0.0000243500000000 ] - [ 0.0006360400000000, -0.0003769400000000, 0.0000837300000000 ] - [ 0.0011678000000000, 0.0003673500000000, 0.0005276000000000 ] - [ -0.0008915000000000, 0.0003675700000000, -0.0004090600000000 ] - [ -0.0001343700000000, -0.0006957600000000, -0.0000633000000000 ] - [ -0.0001376500000000, 0.0006544900000000, -0.0000626400000000 ] - [ 0.0003411400000000, -0.0015369000000000, -0.0001358200000000 ] - [ 0.0003351900000000, 0.0008133500000000, -0.0001379500000000 ] - [ -0.0002084500000000, -0.0010813900000000, -0.0000102700000000 ] - [ -0.0002000400000000, 0.0009592200000000, -0.0000120200000000 ] - [ -0.0000746700000000, 0.0002825400000000, 0.0001679100000000 ] - [ -0.0004624700000000, -0.0002955300000000, -0.0002229800000000 ] - [ -0.0001357700000000, -0.0004109600000000, -0.0000796800000000 ] - [ 0.0002623600000000, 0.0003075700000000, -0.0000275700000000 ] - [ 0.0001383000000000, -0.0023028900000000, 0.0001213600000000 ] - [ 0.0001530000000000, 0.0014881300000000, 0.0001276000000000 ] - [ 0.0000907000000000, -0.0004896600000000, -0.0000430600000000 ] - [ -0.0001076000000000, 0.0007162600000000, 0.0000802900000000 ] - [ -0.0010950000000000, -0.0016700400000000, -0.0011943900000000 ] - [ 0.0017353900000000, 0.0002282700000000, 0.0015092300000000 ] - [ -0.0017393200000000, 0.0005157200000000, -0.0015152600000000 ] - [ 0.0010877600000000, -0.0013922800000000, 0.0011864200000000 ] - [ 0.0001061100000000, 0.0004491200000000, -0.0000800600000000 ] - [ -0.0000888400000000, -0.0007615500000000, 0.0000426800000000 ] - [ 0.0009289400000000, 0.0009458000000000, 0.0001812500000000 ] - [ -0.0001329200000000, -0.0013291400000000, 0.0000437300000000 ] - [ -0.0000200100000000, 0.0028800200000000, 0.0001686200000000 ] - [ -0.0000149900000000, -0.0012235100000000, 0.0001684500000000 ] - [ -0.0003316400000000, -0.0000577600000000, -0.0000362400000000 ] - [ 0.0003058400000000, -0.0000767600000000, 0.0002027700000000 ] - [ 0.0045480500000000, 0.0018688600000000, -0.0016154400000000 ] - [ -0.0006498200000000, -0.0009615200000000, -0.0000673300000000 ] - [ 0.0004759300000000, -0.0010796500000000, 0.0001222200000000 ] - [ -0.0047045200000000, 0.0017422700000000, 0.0016572100000000 ] - [ -0.0013576700000000, 0.0015390400000000, 0.0004310600000000 ] - [ 0.0005873200000000, -0.0013634000000000, -0.0000848100000000 ] - [ 0.0004124700000000, -0.0021561500000000, -0.0041762500000000 ] - [ -0.0003747400000000, -0.0021509000000000, 0.0038124300000000 ] - [ -0.0004132200000000, -0.0012386200000000, 0.0000280600000000 ] - [ 0.0015339100000000, 0.0016328200000000, -0.0004897200000000 ] - [ 0.0003712100000000, -0.0010302000000000, 0.0001003500000000 ] - [ -0.0006924900000000, 0.0012341400000000, -0.0000422800000000 ] - [ 0.0006045500000000, -0.0007042500000000, 0.0006054300000000 ] - [ -0.0003620200000000, -0.0007100900000000, -0.0001713500000000 ] - [ 0.0015498600000000, -0.0043889500000000, 0.0008196400000000 ] - [ 0.0025252000000000, 0.0081942600000000, -0.0058416600000000 ] - [ 0.0000175600000000, 0.0125439000000000, -0.0000794500000000 ] - [ 0.0000105100000000, -0.0024692300000000, -0.0000832900000000 ] - [ -0.0000948100000000, 0.0108271300000000, -0.0003259200000000 ] - [ -0.0001239700000000, -0.0015017500000000, -0.0002180900000000 ] - [ -0.0032746300000000, 0.0097708200000000, 0.0058334400000000 ] - [ -0.0017717400000000, -0.0040833900000000, -0.0009609400000000 ] - [ -0.0002177800000000, -0.0009638300000000, -0.0000422800000000 ] - [ 0.0002361900000000, 0.0005289900000000, 0.0001005000000000 ] - [ -0.0005047000000000, -0.0000917700000000, -0.0000582900000000 ] - [ 0.0004736400000000, -0.0000951300000000, 0.0003979800000000 ] - [ -0.0000079200000000, 0.0007806100000000, 0.0000857200000000 ] - [ -0.0000097500000000, -0.0007518500000000, 0.0000850700000000 ] - [ -0.0000289600000000, -0.0006960900000000, -0.0000968900000000 ] - [ -0.0002368900000000, 0.0009135400000000, 0.0001595000000000 ] - [ 0.0000664500000000, 0.0008034300000000, -0.0001033200000000 ] - [ -0.0001477600000000, -0.0008198200000000, 0.0001524000000000 ] - [ 0.0002807900000000, -0.0006426500000000, -0.0001149800000000 ] - [ -0.0003520900000000, 0.0006742200000000, -0.0004384800000000 ] - [ 0.0000134500000000, 0.0003799900000000, -0.0001699300000000 ] - [ 0.0000144200000000, -0.0004241600000000, -0.0001687200000000 ] - [ 0.0005330100000000, 0.0007977600000000, 0.0003876300000000 ] - [ -0.0001044100000000, -0.0005239000000000, 0.0000607300000000 ] - [ 0.0000035900000000, 0.0008298200000000, 0.0000489300000000 ] - [ 0.0004595800000000, -0.0006704700000000, 0.0001893400000000 ] - [ 0.0001257600000000, 0.0006036100000000, 0.0002208000000000 ] - [ 0.0001217300000000, -0.0005430800000000, 0.0002177900000000 ] - [ -0.0004071000000000, 0.0002133100000000, -0.0002252400000000 ] - [ 0.0001390900000000, -0.0005087800000000, 0.0000578400000000 ] - [ -0.0003660200000000, 0.0000026600000000, -0.0000887800000000 ] - [ 0.0003851900000000, -0.0000044000000000, -0.0000790000000000 ] - [ 0.0003111900000000, 0.0000193700000000, 0.0001636600000000 ] - [ -0.0005537700000000, 0.0000178600000000, -0.0005943400000000 ] - [ -0.0003792000000000, -0.0002105300000000, -0.0002040700000000 ] - [ 0.0001691600000000, 0.0005078700000000, 0.0000822100000000 ]- atom: 9 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ -0.0000978500000000, 0.0002263500000000, 0.0000161000000000 ] - [ -0.0116225900000000, -0.0138422600000000, 0.0064074500000000 ] - [ -0.0116225900000000, 0.0138422600000000, 0.0064074500000000 ] - [ -0.0000978500000000, -0.0002263500000000, 0.0000161000000000 ] - [ -0.0002955900000000, -0.0002670700000000, -0.0000463500000000 ] - [ 0.0000295900000000, 0.0000155000000000, 0.0000029000000000 ] - [ 0.0000295900000000, -0.0000155000000000, 0.0000029000000000 ] - [ -0.0002955900000000, 0.0002670700000000, -0.0000463500000000 ] - [ 0.0767963800000000, 0.0000000000000000, -0.1169196700000000 ] - [ 0.0002278300000000, 0.0000000000000000, -0.0000649500000000 ] - [ -0.0002494300000000, 0.0000223500000000, -0.0000210800000000 ] - [ 0.0024368400000000, 0.0009288000000000, -0.0009066500000000 ] - [ 0.0062969200000000, 0.0000000000000000, 0.0132336000000000 ] - [ -0.0001945400000000, 0.0000000000000000, -0.0000970900000000 ] - [ -0.0012871100000000, 0.0000000000000000, -0.0015344700000000 ] - [ -0.0003129000000000, 0.0000000000000000, 0.0001426700000000 ] - [ -0.0039769200000000, -0.0031467700000000, 0.0055021600000000 ] - [ 0.0001700700000000, 0.0003926300000000, -0.0001240300000000 ] - [ -0.0006624100000000, 0.0000000000000000, 0.0041426500000000 ] - [ 0.0001922100000000, 0.0000000000000000, 0.0001570400000000 ] - [ -0.0002290600000000, -0.0001350300000000, -0.0006533000000000 ] - [ -0.0002290600000000, 0.0001350300000000, -0.0006533000000000 ] - [ 0.0001782600000000, 0.0009258400000000, 0.0002312600000000 ] - [ 0.0001782600000000, -0.0009258400000000, 0.0002312600000000 ] - [ 0.0000219000000000, -0.0007973000000000, 0.0004769500000000 ] - [ 0.0000219000000000, 0.0007973000000000, 0.0004769500000000 ] - [ 0.0024368400000000, -0.0009288000000000, -0.0009066500000000 ] - [ -0.0002494300000000, -0.0000223500000000, -0.0000210800000000 ] - [ 0.0001700700000000, -0.0003926300000000, -0.0001240300000000 ] - [ -0.0039769200000000, 0.0031467700000000, 0.0055021600000000 ] - [ 0.0000105300000000, -0.0000915200000000, 0.0000221700000000 ] - [ 0.0000105300000000, 0.0000915200000000, 0.0000221700000000 ] - [ 0.0002856800000000, 0.0000577400000000, 0.0000929200000000 ] - [ 0.0002856800000000, -0.0000577400000000, 0.0000929200000000 ] - [ -0.0005215400000000, 0.0002994900000000, 0.0010190900000000 ] - [ -0.0002742500000000, -0.0000930500000000, 0.0000204600000000 ] - [ -0.0000309400000000, -0.0000890200000000, -0.0001470200000000 ] - [ -0.0000309400000000, 0.0000890200000000, -0.0001470200000000 ] - [ -0.0003602200000000, -0.0002008900000000, -0.0000582500000000 ] - [ -0.0003602200000000, 0.0002008900000000, -0.0000582500000000 ] - [ 0.0003013500000000, 0.0000209000000000, -0.0000037200000000 ] - [ 0.0003085100000000, 0.0000167300000000, 0.0000380600000000 ] - [ 0.0003587900000000, 0.0001333400000000, 0.0000768700000000 ] - [ 0.0003587900000000, -0.0001333400000000, 0.0000768700000000 ] - [ 0.0001973700000000, 0.0000000000000000, 0.0000756800000000 ] - [ -0.0001184400000000, 0.0000000000000000, -0.0000268000000000 ] - [ 0.0004237200000000, 0.0000000000000000, -0.0002448200000000 ] - [ 0.0003632700000000, 0.0000000000000000, -0.0001256000000000 ] - [ 0.0005969200000000, 0.0000000000000000, -0.0006142900000000 ] - [ -0.0001751400000000, 0.0000000000000000, -0.0000056100000000 ] - [ -0.0002742500000000, 0.0000930500000000, 0.0000204600000000 ] - [ -0.0005215400000000, -0.0002994900000000, 0.0010190900000000 ] - [ 0.0003085100000000, -0.0000167300000000, 0.0000380600000000 ] - [ 0.0003013500000000, -0.0000209000000000, -0.0000037200000000 ] - [ -0.0018513500000000, 0.0000000000000000, -0.0009071900000000 ] - [ 0.0001971000000000, 0.0000000000000000, 0.0000512700000000 ] - [ 0.0000020800000000, 0.0001178000000000, -0.0000346000000000 ] - [ -0.0003073300000000, -0.0001824300000000, -0.0002597700000000 ] - [ -0.0001090600000000, -0.0002910800000000, 0.0000095300000000 ] - [ -0.0008192100000000, 0.0001308000000000, 0.0007381200000000 ] - [ -0.0008192100000000, -0.0001308000000000, 0.0007381200000000 ] - [ -0.0001090600000000, 0.0002910800000000, 0.0000095300000000 ] - [ -0.0003073300000000, 0.0001824300000000, -0.0002597700000000 ] - [ 0.0000020800000000, -0.0001178000000000, -0.0000346000000000 ] - [ 0.0011200500000000, 0.0008187300000000, -0.0022838900000000 ] - [ 0.0001252000000000, -0.0003370100000000, -0.0000664200000000 ] - [ 0.0047714500000000, 0.0000000000000000, -0.0016689000000000 ] - [ 0.0000675800000000, 0.0000000000000000, 0.0001076600000000 ] - [ 0.0001092300000000, 0.0013368000000000, -0.0005436100000000 ] - [ 0.0001092300000000, -0.0013368000000000, -0.0005436100000000 ] - [ 0.0000221300000000, -0.0001416900000000, 0.0013726400000000 ] - [ -0.0000902300000000, 0.0000354200000000, 0.0001157000000000 ] - [ -0.0000902300000000, -0.0000354200000000, 0.0001157000000000 ] - [ 0.0000221300000000, 0.0001416900000000, 0.0013726400000000 ] - [ 0.0026391800000000, -0.0031652700000000, -0.0057911000000000 ] - [ 0.0003322000000000, 0.0000060100000000, -0.0002082200000000 ] - [ -0.0003666400000000, -0.0009648300000000, 0.0005244800000000 ] - [ -0.0003666400000000, 0.0009648300000000, 0.0005244800000000 ] - [ 0.0003322000000000, -0.0000060100000000, -0.0002082200000000 ] - [ 0.0026391800000000, 0.0031652700000000, -0.0057911000000000 ] - [ 0.0001252000000000, 0.0003370100000000, -0.0000664200000000 ] - [ 0.0011200500000000, -0.0008187300000000, -0.0022838900000000 ] - [ 0.0011734600000000, -0.0011480700000000, -0.0001821600000000 ] - [ 0.0011734600000000, 0.0011480700000000, -0.0001821600000000 ] - [ -0.0001125900000000, -0.0000828000000000, 0.0000044600000000 ] - [ -0.0099210200000000, -0.0105052400000000, 0.0073708600000000 ] - [ -0.0122012300000000, 0.0000000000000000, 0.0060594900000000 ] - [ 0.0000119500000000, 0.0000000000000000, -0.0000539400000000 ] - [ -0.0352401100000000, 0.0000000000000000, 0.0734644100000000 ] - [ -0.0001540300000000, 0.0000000000000000, -0.0001554800000000 ] - [ -0.0099210200000000, 0.0105052400000000, 0.0073708600000000 ] - [ -0.0001125900000000, 0.0000828000000000, 0.0000044600000000 ] - [ 0.0000186700000000, -0.0002249200000000, 0.0000555900000000 ] - [ -0.0000246800000000, -0.0001335400000000, 0.0001416300000000 ] - [ -0.0000548000000000, -0.0000074600000000, 0.0003781300000000 ] - [ -0.0000548000000000, 0.0000074600000000, 0.0003781300000000 ] - [ -0.0002442200000000, 0.0000000000000000, 0.0000917700000000 ] - [ -0.0000555000000000, 0.0000000000000000, 0.0000703500000000 ] - [ 0.0000115200000000, 0.0001301700000000, 0.0000000700000000 ] - [ 0.0008982900000000, -0.0007717900000000, -0.0004623700000000 ] - [ 0.0008982900000000, 0.0007717900000000, -0.0004623700000000 ] - [ 0.0000115200000000, -0.0001301700000000, 0.0000000700000000 ] - [ 0.0000024500000000, -0.0000067300000000, -0.0000186900000000 ] - [ 0.0000739400000000, -0.0000234400000000, 0.0000015100000000 ] - [ 0.0001781900000000, 0.0000000000000000, -0.0001109100000000 ] - [ -0.0000073400000000, 0.0000000000000000, -0.0002054800000000 ] - [ 0.0000739400000000, 0.0000234400000000, 0.0000015100000000 ] - [ 0.0000024500000000, 0.0000067300000000, -0.0000186900000000 ] - [ -0.0000246800000000, 0.0001335400000000, 0.0001416300000000 ] - [ 0.0000186700000000, 0.0002249200000000, 0.0000555900000000 ] - [ 0.0010370100000000, 0.0000000000000000, 0.0016151700000000 ] - [ 0.0001198200000000, 0.0000000000000000, 0.0002614900000000 ] - [ -0.0003992400000000, -0.0001214200000000, -0.0005286700000000 ] - [ -0.0001482000000000, -0.0001083000000000, -0.0000924700000000 ] - [ 0.0000331700000000, -0.0003139100000000, -0.0002629500000000 ] - [ 0.0000331700000000, 0.0003139100000000, -0.0002629500000000 ] - [ -0.0001384200000000, 0.0000293000000000, -0.0002928200000000 ] - [ -0.0001384200000000, -0.0000293000000000, -0.0002928200000000 ] - [ -0.0001482000000000, 0.0001083000000000, -0.0000924700000000 ] - [ -0.0003992400000000, 0.0001214200000000, -0.0005286700000000 ]- atom: 9 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ 0.0001019800000000, -0.0002267600000000, -0.0000301900000000 ] - [ 0.0115104900000000, 0.0136880000000000, -0.0063601800000000 ] - [ 0.0115104900000000, -0.0136880000000000, -0.0063601800000000 ] - [ 0.0001019800000000, 0.0002267600000000, -0.0000301900000000 ] - [ 0.0002864000000000, 0.0002667800000000, 0.0000582900000000 ] - [ -0.0000231200000000, -0.0000111800000000, -0.0000054600000000 ] - [ -0.0000231200000000, 0.0000111800000000, -0.0000054600000000 ] - [ 0.0002864000000000, -0.0002667800000000, 0.0000582900000000 ] - [ -0.0747974900000000, 0.0000000000000000, 0.1123662200000000 ] - [ 0.0001658000000000, 0.0000000000000000, 0.0000903600000000 ] - [ -0.0002483500000000, 0.0000086600000000, 0.0000400900000000 ] - [ -0.0028726300000000, -0.0008204100000000, 0.0009504000000000 ] - [ -0.0065433500000000, 0.0000000000000000, -0.0133843700000000 ] - [ -0.0001098700000000, 0.0000000000000000, -0.0001632000000000 ] - [ 0.0006230600000000, 0.0000000000000000, 0.0017570100000000 ] - [ -0.0003464900000000, 0.0000000000000000, 0.0001432700000000 ] - [ 0.0045051600000000, 0.0032223900000000, -0.0055326900000000 ] - [ 0.0003336100000000, -0.0003709500000000, 0.0001170300000000 ] - [ 0.0009259300000000, 0.0000000000000000, -0.0040413100000000 ] - [ 0.0000873700000000, 0.0000000000000000, -0.0000470600000000 ] - [ -0.0000730100000000, 0.0001047800000000, 0.0005128000000000 ] - [ -0.0000730100000000, -0.0001047800000000, 0.0005128000000000 ] - [ 0.0004995300000000, -0.0009020100000000, -0.0005164400000000 ] - [ 0.0004995300000000, 0.0009020100000000, -0.0005164400000000 ] - [ -0.0004394300000000, 0.0008123800000000, -0.0004977800000000 ] - [ -0.0004394300000000, -0.0008123800000000, -0.0004977800000000 ] - [ -0.0028726300000000, 0.0008204100000000, 0.0009504000000000 ] - [ -0.0002483500000000, -0.0000086600000000, 0.0000400900000000 ] - [ 0.0003336100000000, 0.0003709500000000, 0.0001170300000000 ] - [ 0.0045051600000000, -0.0032223900000000, -0.0055326900000000 ] - [ 0.0002930000000000, 0.0000933100000000, 0.0002258800000000 ] - [ 0.0002930000000000, -0.0000933100000000, 0.0002258800000000 ] - [ 0.0001163300000000, -0.0000531200000000, -0.0000660200000000 ] - [ 0.0001163300000000, 0.0000531200000000, -0.0000660200000000 ] - [ 0.0000206700000000, -0.0002625500000000, -0.0010031700000000 ] - [ -0.0002237500000000, 0.0001253800000000, -0.0000100700000000 ] - [ -0.0002687700000000, 0.0000880500000000, -0.0001057000000000 ] - [ -0.0002687700000000, -0.0000880500000000, -0.0001057000000000 ] - [ -0.0003047900000000, 0.0002008600000000, 0.0003465600000000 ] - [ -0.0003047900000000, -0.0002008600000000, 0.0003465600000000 ] - [ 0.0002021900000000, 0.0000169100000000, -0.0000115800000000 ] - [ 0.0001986400000000, 0.0000143700000000, -0.0000475800000000 ] - [ -0.0000787000000000, -0.0001327400000000, 0.0000369000000000 ] - [ -0.0000787000000000, 0.0001327400000000, 0.0000369000000000 ] - [ -0.0004692800000000, 0.0000000000000000, -0.0001938300000000 ] - [ -0.0001650700000000, 0.0000000000000000, -0.0000873100000000 ] - [ 0.0002562400000000, 0.0000000000000000, -0.0000231900000000 ] - [ 0.0003019600000000, 0.0000000000000000, -0.0001588100000000 ] - [ -0.0009957800000000, 0.0000000000000000, 0.0005879100000000 ] - [ -0.0002235300000000, 0.0000000000000000, -0.0000200000000000 ] - [ -0.0002237500000000, -0.0001253800000000, -0.0000100700000000 ] - [ 0.0000206700000000, 0.0002625500000000, -0.0010031700000000 ] - [ 0.0001986400000000, -0.0000143700000000, -0.0000475800000000 ] - [ 0.0002021900000000, -0.0000169100000000, -0.0000115800000000 ] - [ 0.0021463600000000, 0.0000000000000000, 0.0011696600000000 ] - [ 0.0001031400000000, 0.0000000000000000, 0.0002082900000000 ] - [ -0.0000011500000000, 0.0001580400000000, 0.0000349100000000 ] - [ 0.0003122900000000, 0.0004601400000000, 0.0002652000000000 ] - [ 0.0001107200000000, 0.0000197600000000, -0.0000053000000000 ] - [ 0.0008245400000000, -0.0004063800000000, -0.0007232300000000 ] - [ 0.0008245400000000, 0.0004063800000000, -0.0007232300000000 ] - [ 0.0001107200000000, -0.0000197600000000, -0.0000053000000000 ] - [ 0.0003122900000000, -0.0004601400000000, 0.0002652000000000 ] - [ -0.0000011500000000, -0.0001580400000000, 0.0000349100000000 ] - [ -0.0008589800000000, -0.0011276200000000, 0.0024177900000000 ] - [ 0.0001316300000000, 0.0000435200000000, 0.0001944300000000 ] - [ -0.0047432400000000, 0.0000000000000000, 0.0020231400000000 ] - [ -0.0000786900000000, 0.0000000000000000, 0.0002366300000000 ] - [ -0.0001236500000000, -0.0013611200000000, 0.0007000100000000 ] - [ -0.0001236500000000, 0.0013611200000000, 0.0007000100000000 ] - [ -0.0001937200000000, 0.0002641000000000, -0.0012695400000000 ] - [ -0.0000745000000000, 0.0000840100000000, -0.0000351700000000 ] - [ -0.0000745000000000, -0.0000840100000000, -0.0000351700000000 ] - [ -0.0001937200000000, -0.0002641000000000, -0.0012695400000000 ] - [ -0.0024793800000000, 0.0030374200000000, 0.0057143300000000 ] - [ -0.0001685500000000, -0.0001183100000000, 0.0001337500000000 ] - [ 0.0003741600000000, 0.0009531600000000, -0.0008450600000000 ] - [ 0.0003741600000000, -0.0009531600000000, -0.0008450600000000 ] - [ -0.0001685500000000, 0.0001183100000000, 0.0001337500000000 ] - [ -0.0024793800000000, -0.0030374200000000, 0.0057143300000000 ] - [ 0.0001316300000000, -0.0000435200000000, 0.0001944300000000 ] - [ -0.0008589800000000, 0.0011276200000000, 0.0024177900000000 ] - [ -0.0008995700000000, 0.0011301300000000, 0.0006169700000000 ] - [ -0.0008995700000000, -0.0011301300000000, 0.0006169700000000 ] - [ -0.0001443800000000, -0.0002065200000000, -0.0001263500000000 ] - [ 0.0096970100000000, 0.0101298500000000, -0.0075325400000000 ] - [ 0.0120653000000000, 0.0000000000000000, -0.0062494800000000 ] - [ 0.0000055200000000, 0.0000000000000000, -0.0000939100000000 ] - [ 0.0334609900000000, 0.0000000000000000, -0.0695009100000000 ] - [ -0.0001071500000000, 0.0000000000000000, -0.0002695900000000 ] - [ 0.0096970100000000, -0.0101298500000000, -0.0075325400000000 ] - [ -0.0001443800000000, 0.0002065200000000, -0.0001263500000000 ] - [ 0.0002347300000000, -0.0000750400000000, 0.0000696700000000 ] - [ 0.0002760900000000, -0.0001627200000000, -0.0000168200000000 ] - [ 0.0000409900000000, 0.0000063600000000, -0.0000386400000000 ] - [ 0.0000409900000000, -0.0000063600000000, -0.0000386400000000 ] - [ 0.0002233400000000, 0.0000000000000000, 0.0000619300000000 ] - [ 0.0000377400000000, 0.0000000000000000, 0.0000810200000000 ] - [ -0.0001761600000000, -0.0000134300000000, 0.0000711700000000 ] - [ -0.0010657900000000, 0.0008939400000000, 0.0005339300000000 ] - [ -0.0010657900000000, -0.0008939400000000, 0.0005339300000000 ] - [ -0.0001761600000000, 0.0000134300000000, 0.0000711700000000 ] - [ 0.0001590200000000, -0.0001135700000000, -0.0000567800000000 ] - [ 0.0000843000000000, -0.0000968000000000, -0.0000779200000000 ] - [ -0.0001698100000000, 0.0000000000000000, -0.0002390200000000 ] - [ 0.0000207700000000, 0.0000000000000000, -0.0001390400000000 ] - [ 0.0000843000000000, 0.0000968000000000, -0.0000779200000000 ] - [ 0.0001590200000000, 0.0001135700000000, -0.0000567800000000 ] - [ 0.0002760900000000, 0.0001627200000000, -0.0000168200000000 ] - [ 0.0002347300000000, 0.0000750400000000, 0.0000696700000000 ] - [ -0.0007826100000000, 0.0000000000000000, -0.0011921500000000 ] - [ 0.0001394000000000, 0.0000000000000000, 0.0001669100000000 ] - [ 0.0001411800000000, -0.0001766800000000, 0.0003944900000000 ] - [ -0.0001072300000000, -0.0001904200000000, -0.0000342900000000 ] - [ -0.0000182300000000, 0.0003093900000000, 0.0001096400000000 ] - [ -0.0000182300000000, -0.0003093900000000, 0.0001096400000000 ] - [ -0.0001260800000000, -0.0000308800000000, -0.0001403400000000 ] - [ -0.0001260800000000, 0.0000308800000000, -0.0001403400000000 ] - [ -0.0001072300000000, 0.0001904200000000, -0.0000342900000000 ] - [ 0.0001411800000000, 0.0001766800000000, 0.0003944900000000 ]- atom: 11 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ -0.0110794100000000, 0.0000486400000000, 0.0003241000000000 ] - [ -0.0005426900000000, 0.0000299100000000, -0.0001930900000000 ] - [ -0.0023386900000000, -0.0005639200000000, -0.0002362700000000 ] - [ -0.0018475600000000, 0.0004674600000000, -0.0002557300000000 ] - [ 0.0006703800000000, 0.0002151600000000, 0.0003598800000000 ] - [ 0.0008703100000000, -0.0005801100000000, 0.0005869000000000 ] - [ 0.0012082800000000, 0.0003811300000000, 0.0012919000000000 ] - [ 0.0003979400000000, -0.0000632500000000, 0.0002240100000000 ] - [ -0.0000446500000000, -0.0010437400000000, -0.0001289500000000 ] - [ 0.0045403700000000, 0.0168083600000000, 0.0054045600000000 ] - [ -0.0941049600000000, -0.0029112900000000, -0.0056970600000000 ] - [ -0.0005823200000000, 0.0000853700000000, -0.0000931800000000 ] - [ -0.0000547200000000, -0.0004987100000000, -0.0000880600000000 ] - [ 0.0007800000000000, 0.0005155200000000, 0.0008268800000000 ] - [ -0.0006788100000000, 0.0007957300000000, 0.0000422500000000 ] - [ 0.0021575100000000, -0.0137887400000000, -0.0057297000000000 ] - [ 0.0002280600000000, -0.0003074600000000, -0.0004441000000000 ] - [ 0.0002280800000000, 0.0004579500000000, -0.0005278300000000 ] - [ -0.0004263600000000, 0.0000450100000000, -0.0002912300000000 ] - [ 0.0003274400000000, 0.0011731000000000, -0.0028865300000000 ] - [ 0.0059742400000000, -0.0095043100000000, 0.0050537600000000 ] - [ 0.0000586100000000, 0.0004186100000000, 0.0000525800000000 ] - [ 0.0010239800000000, -0.0002721300000000, 0.0010843200000000 ] - [ 0.0005401900000000, 0.0002782100000000, -0.0001025400000000 ] - [ 0.0018656500000000, -0.0026360300000000, -0.0037103400000000 ] - [ -0.0004913800000000, 0.0002061400000000, -0.0002515400000000 ] - [ -0.0025683100000000, 0.0000731100000000, -0.0003576300000000 ] - [ -0.0008628300000000, 0.0002316200000000, -0.0003199100000000 ] - [ 0.0017821300000000, -0.0003140100000000, -0.0007874000000000 ] - [ 0.0001402700000000, 0.0000159400000000, -0.0000845200000000 ] - [ 0.0046803200000000, 0.0090417300000000, -0.0054836500000000 ] - [ -0.0001323000000000, -0.0003300000000000, -0.0001304200000000 ] - [ 0.0009822000000000, 0.0002097400000000, 0.0001231400000000 ] - [ 0.0004023300000000, -0.0001793000000000, 0.0000902900000000 ] - [ 0.0002048100000000, 0.0000343800000000, 0.0002775300000000 ] - [ 0.0002062300000000, 0.0000049200000000, 0.0002398900000000 ] - [ -0.0003774000000000, 0.0018851800000000, 0.0011735700000000 ] - [ -0.0003848600000000, -0.0005136200000000, -0.0000354000000000 ] - [ 0.0007445100000000, -0.0000097000000000, 0.0004749700000000 ] - [ -0.0000076600000000, 0.0000364700000000, 0.0002833200000000 ] - [ 0.0030840000000000, -0.0005465900000000, 0.0019111700000000 ] - [ 0.0003464700000000, 0.0000371200000000, 0.0000662700000000 ] - [ 0.0012805100000000, 0.0005662900000000, 0.0007213100000000 ] - [ 0.0006203300000000, -0.0001744200000000, 0.0003334400000000 ] - [ 0.0001384000000000, 0.0002238800000000, 0.0000650500000000 ] - [ 0.0002999400000000, -0.0002523300000000, 0.0004259600000000 ] - [ 0.0003523100000000, 0.0003012900000000, -0.0002382100000000 ] - [ 0.0016849200000000, -0.0019438200000000, 0.0015361500000000 ] - [ 0.0001629400000000, 0.0000089000000000, 0.0002475600000000 ] - [ 0.0005525000000000, -0.0003829200000000, 0.0004608500000000 ] - [ 0.0004221000000000, 0.0000168400000000, 0.0003704900000000 ] - [ 0.0000171600000000, -0.0000495900000000, 0.0001361500000000 ] - [ 0.0005073400000000, 0.0004404000000000, 0.0005272100000000 ] - [ 0.0006792400000000, -0.0004830000000000, 0.0001893400000000 ] - [ 0.0006498300000000, -0.0003208800000000, 0.0001795500000000 ] - [ 0.0011904000000000, 0.0002619400000000, 0.0004645400000000 ] - [ -0.0001620500000000, 0.0005843300000000, 0.0006802400000000 ] - [ 0.0001170400000000, 0.0001085000000000, 0.0000457700000000 ] - [ -0.0009785900000000, -0.0003787800000000, -0.0006402700000000 ] - [ -0.0001753600000000, -0.0000509100000000, -0.0000636600000000 ] - [ -0.0010518100000000, 0.0009521100000000, -0.0010698300000000 ] - [ -0.0003389800000000, -0.0001206600000000, -0.0001293500000000 ] - [ -0.0004717200000000, -0.0013514200000000, 0.0007073600000000 ] - [ 0.0001650200000000, 0.0001291300000000, 0.0005740400000000 ] - [ 0.0004976100000000, 0.0000093500000000, 0.0003895100000000 ] - [ 0.0002578800000000, -0.0002017200000000, 0.0004462100000000 ] - [ 0.0004143600000000, -0.0000132300000000, 0.0005787100000000 ] - [ 0.0014032600000000, 0.0010329100000000, 0.0039552600000000 ] - [ 0.0005058500000000, 0.0005571000000000, 0.0004889500000000 ] - [ 0.0002395800000000, -0.0004685900000000, 0.0002474900000000 ] - [ 0.0016479200000000, -0.0019960700000000, -0.0003650500000000 ] - [ 0.0021005500000000, 0.0011305100000000, -0.0004230200000000 ] - [ 0.0283796800000000, 0.0004552700000000, -0.0310624100000000 ] - [ 0.0003189800000000, -0.0000712400000000, 0.0000232400000000 ] - [ -0.0000066400000000, 0.0004280500000000, 0.0001244900000000 ] - [ 0.0000084200000000, -0.0005433300000000, 0.0000949200000000 ] - [ 0.0010952400000000, 0.0015473800000000, -0.0037020600000000 ] - [ 0.0000901300000000, -0.0001260100000000, -0.0002697300000000 ] - [ -0.0001621600000000, 0.0000986200000000, 0.0008339000000000 ] - [ 0.0002059000000000, 0.0001710700000000, -0.0000143400000000 ] - [ -0.0001717400000000, -0.0000519400000000, 0.0013080300000000 ] - [ 0.0004413300000000, -0.0001025200000000, 0.0002474200000000 ] - [ 0.0015915600000000, -0.0010482900000000, 0.0045383500000000 ] - [ 0.0004692100000000, -0.0001008400000000, 0.0005978700000000 ] - [ 0.0368556500000000, -0.0010706500000000, 0.0349866800000000 ] - [ 0.0003067300000000, -0.0001233100000000, 0.0001173000000000 ] - [ 0.0006197300000000, -0.0000149600000000, 0.0000261100000000 ] - [ 0.0091144800000000, 0.0020759700000000, 0.0013003200000000 ] - [ 0.0000164600000000, 0.0002491900000000, -0.0003365900000000 ] - [ 0.0008956300000000, -0.0014509500000000, -0.0030940800000000 ] - [ 0.0018883900000000, 0.0026830500000000, 0.0007643200000000 ] - [ 0.0020989900000000, -0.0014248000000000, 0.0004809300000000 ] - [ -0.0017569000000000, -0.0004266400000000, -0.0016641600000000 ] - [ -0.0001215400000000, -0.0002049000000000, -0.0000615600000000 ] - [ -0.0006382400000000, -0.0002637600000000, -0.0004919300000000 ] - [ -0.0003338500000000, 0.0001296400000000, -0.0001208900000000 ] - [ -0.0003056500000000, -0.0003714800000000, -0.0001052600000000 ] - [ -0.0008816500000000, 0.0008586200000000, -0.0002704100000000 ] - [ -0.0007958100000000, 0.0000184700000000, -0.0002020900000000 ] - [ -0.0004140000000000, 0.0001933400000000, 0.0000173600000000 ] - [ -0.0004825500000000, 0.0000820700000000, -0.0000483600000000 ] - [ -0.0006433100000000, -0.0002866000000000, -0.0000331500000000 ] - [ -0.0001902400000000, -0.0003102500000000, -0.0009240900000000 ] - [ 0.0000039500000000, 0.0000083000000000, -0.0000642700000000 ] - [ -0.0001479600000000, -0.0001005000000000, -0.0001785100000000 ] - [ -0.0009301900000000, 0.0001960500000000, -0.0012556500000000 ] - [ 0.0000262700000000, -0.0002937200000000, -0.0001404300000000 ] - [ -0.0001874000000000, 0.0010581800000000, -0.0001458100000000 ] - [ -0.0004208400000000, 0.0002276400000000, -0.0003600600000000 ] - [ -0.0004963600000000, 0.0004293400000000, -0.0003419500000000 ] - [ -0.0002137300000000, 0.0000107900000000, -0.0000687200000000 ] - [ -0.0005599500000000, 0.0001294100000000, -0.0004940500000000 ] - [ -0.0006168900000000, -0.0004377800000000, -0.0003436400000000 ] - [ -0.0007129000000000, 0.0003533900000000, -0.0005539400000000 ] - [ -0.0009655200000000, -0.0000482000000000, -0.0002869700000000 ] - [ -0.0003249500000000, 0.0000520700000000, -0.0001791900000000 ] - [ -0.0001796700000000, -0.0003649600000000, -0.0003010900000000 ] - [ -0.0001548800000000, 0.0001643400000000, -0.0003143500000000 ] - [ -0.0007696900000000, -0.0000503900000000, -0.0006659200000000 ] - [ -0.0004893900000000, 0.0000990600000000, -0.0002635300000000 ]- atom: 11 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ 0.0110690300000000, -0.0000599900000000, -0.0003689900000000 ] - [ 0.0005463500000000, -0.0000300500000000, 0.0001918700000000 ] - [ 0.0023414900000000, 0.0005732100000000, 0.0002411400000000 ] - [ 0.0018323900000000, -0.0004618100000000, 0.0002495000000000 ] - [ -0.0006717000000000, -0.0002249200000000, -0.0003540300000000 ] - [ -0.0008618500000000, 0.0005860800000000, -0.0005889000000000 ] - [ -0.0011958400000000, -0.0003873600000000, -0.0013013600000000 ] - [ -0.0004095600000000, 0.0000612000000000, -0.0002195400000000 ] - [ 0.0004579700000000, 0.0010379600000000, 0.0001458000000000 ] - [ -0.0041329100000000, -0.0166569400000000, -0.0053278900000000 ] - [ 0.0929941700000000, 0.0032175000000000, 0.0026053700000000 ] - [ 0.0000786500000000, -0.0000619100000000, 0.0000837100000000 ] - [ -0.0002382000000000, 0.0004940100000000, -0.0001641600000000 ] - [ -0.0010753300000000, -0.0005115700000000, -0.0010793800000000 ] - [ -0.0000013500000000, -0.0008024300000000, 0.0002348000000000 ] - [ -0.0028130800000000, 0.0138746000000000, 0.0060528900000000 ] - [ 0.0002726800000000, 0.0003399300000000, 0.0004480700000000 ] - [ 0.0002729500000000, -0.0004220400000000, 0.0005241700000000 ] - [ 0.0006931700000000, -0.0000437500000000, 0.0004118000000000 ] - [ -0.0000768700000000, -0.0011639700000000, 0.0030044600000000 ] - [ -0.0061977900000000, 0.0094706500000000, -0.0051283900000000 ] - [ -0.0003338000000000, -0.0004248500000000, -0.0001758700000000 ] - [ -0.0003486100000000, 0.0002727800000000, -0.0013582000000000 ] - [ 0.0001318200000000, -0.0002790100000000, -0.0001773900000000 ] - [ -0.0022572300000000, 0.0026042100000000, 0.0036674900000000 ] - [ 0.0000747600000000, -0.0002106800000000, 0.0002357300000000 ] - [ 0.0020641100000000, -0.0000970300000000, 0.0003538700000000 ] - [ 0.0003609800000000, -0.0003203100000000, 0.0003239800000000 ] - [ -0.0012667500000000, 0.0002766600000000, 0.0007821900000000 ] - [ 0.0003634300000000, -0.0000510700000000, 0.0000879100000000 ] - [ -0.0044114400000000, -0.0090468300000000, 0.0057738100000000 ] - [ 0.0004278500000000, 0.0003233900000000, 0.0003791500000000 ] - [ -0.0005741100000000, -0.0002087100000000, -0.0001040700000000 ] - [ 0.0000053900000000, 0.0001755900000000, -0.0000714400000000 ] - [ -0.0007096300000000, 0.0000023700000000, -0.0002747800000000 ] - [ -0.0007064200000000, 0.0000310400000000, -0.0002364800000000 ] - [ 0.0000969400000000, -0.0018866500000000, -0.0014295800000000 ] - [ 0.0000930300000000, 0.0005099700000000, -0.0002130500000000 ] - [ -0.0014138000000000, 0.0000057200000000, -0.0001975000000000 ] - [ -0.0006633700000000, -0.0000357500000000, -0.0000037000000000 ] - [ -0.0026002900000000, 0.0005921500000000, -0.0019274400000000 ] - [ 0.0001573500000000, -0.0000047500000000, -0.0000651500000000 ] - [ -0.0010117500000000, -0.0005684400000000, -0.0006022500000000 ] - [ -0.0003465500000000, 0.0001737600000000, -0.0002144800000000 ] - [ -0.0004064900000000, -0.0002257700000000, -0.0001853500000000 ] - [ -0.0005729200000000, 0.0002567900000000, -0.0005431500000000 ] - [ 0.0003231300000000, -0.0003033900000000, -0.0000388000000000 ] - [ -0.0010001700000000, 0.0019574700000000, -0.0018110200000000 ] - [ -0.0005723900000000, -0.0000135000000000, -0.0002676600000000 ] - [ -0.0009592200000000, 0.0003906400000000, -0.0004821400000000 ] - [ -0.0009238200000000, -0.0000528900000000, -0.0003698000000000 ] - [ -0.0005203000000000, 0.0000135800000000, -0.0001353100000000 ] - [ -0.0000019700000000, -0.0004767400000000, -0.0005255600000000 ] - [ -0.0001737500000000, 0.0004484000000000, -0.0001912700000000 ] - [ -0.0003508300000000, 0.0003213600000000, 0.0000725100000000 ] - [ -0.0008913700000000, -0.0002592600000000, -0.0002092400000000 ] - [ 0.0001614000000000, -0.0003115000000000, -0.0006828800000000 ] - [ -0.0001194300000000, 0.0001665600000000, -0.0000456300000000 ] - [ 0.0009770700000000, 0.0001031000000000, 0.0006384900000000 ] - [ 0.0001770800000000, -0.0002209300000000, 0.0000647600000000 ] - [ 0.0010500800000000, -0.0006747900000000, 0.0010677100000000 ] - [ 0.0003387500000000, 0.0003923100000000, 0.0001298700000000 ] - [ 0.0004725000000000, 0.0010784200000000, -0.0007083900000000 ] - [ -0.0001654100000000, -0.0004027400000000, -0.0005777400000000 ] - [ -0.0002504700000000, -0.0003141400000000, -0.0002466800000000 ] - [ -0.0000079400000000, -0.0000921200000000, -0.0002990600000000 ] - [ -0.0004353200000000, 0.0000144000000000, -0.0002390800000000 ] - [ -0.0014263600000000, -0.0010347300000000, -0.0036232700000000 ] - [ -0.0005176300000000, -0.0005501400000000, -0.0003216900000000 ] - [ -0.0002539300000000, 0.0004672800000000, -0.0000799800000000 ] - [ -0.0018175200000000, 0.0021162700000000, 0.0004227900000000 ] - [ -0.0022932400000000, -0.0010068300000000, 0.0004982200000000 ] - [ -0.0292088700000000, -0.0006752800000000, 0.0324843400000000 ] - [ -0.0004918300000000, -0.0000471800000000, 0.0000352800000000 ] - [ 0.0001806800000000, -0.0005457700000000, -0.0001838700000000 ] - [ 0.0001671200000000, 0.0004194800000000, -0.0001552500000000 ] - [ -0.0010725100000000, -0.0015473900000000, 0.0033522300000000 ] - [ -0.0000676100000000, 0.0001269100000000, -0.0000686800000000 ] - [ 0.0003290700000000, 0.0000224300000000, -0.0008906200000000 ] - [ -0.0000312000000000, -0.0000504100000000, -0.0000459600000000 ] - [ 0.0004181000000000, 0.0003447600000000, -0.0011597800000000 ] - [ -0.0001959400000000, 0.0004017000000000, -0.0001052500000000 ] - [ -0.0013363100000000, 0.0010493500000000, -0.0041176800000000 ] - [ -0.0002136100000000, 0.0001021100000000, -0.0001671600000000 ] - [ -0.0358629100000000, 0.0006373100000000, -0.0334503100000000 ] - [ -0.0005503700000000, -0.0001711500000000, -0.0002561200000000 ] - [ -0.0006011500000000, 0.0000288400000000, -0.0001949900000000 ] - [ -0.0091113300000000, -0.0022326800000000, -0.0014980700000000 ] - [ -0.0002676600000000, -0.0002472600000000, -0.0000960300000000 ] - [ -0.0011380900000000, 0.0014482200000000, 0.0026566600000000 ] - [ -0.0021306200000000, -0.0023792000000000, -0.0009059700000000 ] - [ -0.0023137800000000, 0.0017226900000000, -0.0006075500000000 ] - [ 0.0020093900000000, 0.0001294200000000, 0.0018172800000000 ] - [ 0.0003626200000000, -0.0000914700000000, 0.0002033900000000 ] - [ 0.0006147400000000, 0.0002649100000000, 0.0008333500000000 ] - [ 0.0003106700000000, -0.0001303400000000, 0.0004614700000000 ] - [ 0.0002865200000000, 0.0003729800000000, 0.0002717800000000 ] - [ 0.0008589000000000, -0.0008669900000000, 0.0004382900000000 ] - [ 0.0006230900000000, 0.0001013000000000, 0.0002612500000000 ] - [ 0.0002406500000000, -0.0000721900000000, 0.0000416700000000 ] - [ 0.0003097100000000, -0.0001999000000000, 0.0001093900000000 ] - [ 0.0004691700000000, 0.0001644900000000, 0.0000919400000000 ] - [ 0.0003441500000000, 0.0001878500000000, 0.0008570200000000 ] - [ 0.0001670200000000, -0.0001269300000000, 0.0000043100000000 ] - [ 0.0001669100000000, 0.0000999500000000, -0.0001633100000000 ] - [ 0.0009462700000000, -0.0001990900000000, 0.0009063100000000 ] - [ 0.0001441500000000, 0.0004131100000000, 0.0000830700000000 ] - [ 0.0003547000000000, -0.0009345600000000, 0.0000852700000000 ] - [ 0.0006620200000000, 0.0000719400000000, 0.0005009500000000 ] - [ 0.0007387800000000, -0.0001363300000000, 0.0004815000000000 ] - [ 0.0004645500000000, -0.0000095700000000, 0.0005004400000000 ] - [ 0.0008114400000000, -0.0001308000000000, 0.0009279600000000 ] - [ 0.0003718800000000, 0.0001429800000000, 0.0002023000000000 ] - [ 0.0004678600000000, -0.0006500000000000, 0.0004127600000000 ] - [ 0.0009837000000000, 0.0000489100000000, 0.0001211000000000 ] - [ 0.0003424700000000, -0.0000529200000000, 0.0000130800000000 ] - [ -0.0000782700000000, 0.0003671300000000, -0.0001352300000000 ] - [ -0.0000995200000000, -0.0001643600000000, -0.0001210000000000 ] - [ 0.0005251100000000, 0.0003461400000000, 0.0005222800000000 ] - [ 0.0002443200000000, 0.0001977600000000, 0.0001218400000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003005500000000, -0.0054999600000000, -0.0012637600000000 ] - [ 0.0000321600000000, 0.0014114900000000, -0.0001852400000000 ] - [ -0.0005419100000000, 0.0011868500000000, -0.0013095000000000 ] - [ 0.0003636200000000, 0.0014914300000000, 0.0025003200000000 ] - [ 0.0003606500000000, 0.0003047800000000, 0.0002034800000000 ] - [ -0.0003463000000000, 0.0002013200000000, -0.0000917000000000 ] - [ 0.0001217200000000, -0.0011240500000000, 0.0002548000000000 ] - [ -0.0000130100000000, 0.0005871600000000, 0.0000228500000000 ] - [ -0.0003026500000000, 0.0015835700000000, -0.0002357600000000 ] - [ 0.0134968400000000, 0.0003582500000000, 0.0082356200000000 ] - [ -0.0033179100000000, -0.0861074200000000, -0.0293813000000000 ] - [ -0.0001789500000000, 0.0021216200000000, 0.0011672900000000 ] - [ -0.0003810400000000, 0.0005517200000000, -0.0003407000000000 ] - [ 0.0002791900000000, -0.0006060500000000, 0.0006742000000000 ] - [ 0.0001545600000000, 0.0016181900000000, -0.0000502400000000 ] - [ -0.0110878200000000, -0.0005442300000000, 0.0080167700000000 ] - [ -0.0001896700000000, 0.0001859300000000, -0.0002006700000000 ] - [ 0.0005743900000000, 0.0001845100000000, 0.0000019600000000 ] - [ 0.0001942100000000, 0.0010437600000000, 0.0000529600000000 ] - [ 0.0015104900000000, -0.0010655800000000, -0.0007600900000000 ] - [ -0.0035488000000000, 0.0009597100000000, -0.0022799400000000 ] - [ 0.0006097900000000, 0.0017106100000000, 0.0003710000000000 ] - [ -0.0000767300000000, -0.0003664400000000, -0.0004914000000000 ] - [ 0.0004871200000000, 0.0004370000000000, 0.0000576800000000 ] - [ -0.0034681200000000, 0.0005002300000000, 0.0018083500000000 ] - [ 0.0003524200000000, 0.0006772600000000, -0.0001614900000000 ] - [ -0.0003278500000000, 0.0058080000000000, -0.0014330800000000 ] - [ -0.0005237500000000, 0.0096267800000000, -0.0004741300000000 ] - [ -0.0000429700000000, -0.0007996700000000, -0.0003500300000000 ] - [ 0.0002864500000000, 0.0003932700000000, 0.0000723200000000 ] - [ 0.0036523500000000, 0.0007335600000000, -0.0018578700000000 ] - [ -0.0005992500000000, 0.0018356400000000, 0.0004416500000000 ] - [ 0.0002256700000000, -0.0002784700000000, 0.0003596800000000 ] - [ 0.0001256300000000, 0.0003003800000000, -0.0001332900000000 ] - [ -0.0002649900000000, 0.0000576600000000, -0.0000124600000000 ] - [ -0.0002323900000000, 0.0000576200000000, 0.0000247800000000 ] - [ 0.0016309400000000, 0.0006488900000000, 0.0018909800000000 ] - [ -0.0008168500000000, 0.0007412900000000, -0.0005035800000000 ] - [ -0.0004406400000000, -0.0002497100000000, 0.0001132300000000 ] - [ -0.0002104900000000, 0.0002576200000000, 0.0001597700000000 ] - [ 0.0008248100000000, -0.0007370000000000, -0.0000269600000000 ] - [ 0.0002263800000000, 0.0003574100000000, 0.0000072200000000 ] - [ 0.0001383700000000, -0.0002150400000000, 0.0000414900000000 ] - [ 0.0002354800000000, 0.0002917000000000, 0.0001072700000000 ] - [ -0.0000119600000000, 0.0003976400000000, 0.0000520100000000 ] - [ -0.0002244000000000, -0.0004683100000000, -0.0003797800000000 ] - [ 0.0005300700000000, 0.0007961100000000, 0.0000329600000000 ] - [ -0.0017120200000000, -0.0008753900000000, -0.0019330700000000 ] - [ -0.0001324400000000, 0.0003270500000000, 0.0000043600000000 ] - [ -0.0002227900000000, -0.0003974100000000, -0.0000432700000000 ] - [ -0.0002841500000000, -0.0002718900000000, -0.0000227200000000 ] - [ -0.0002176800000000, 0.0001680100000000, 0.0000270700000000 ] - [ 0.0007058800000000, 0.0001698100000000, 0.0000870400000000 ] - [ -0.0002135000000000, -0.0000463800000000, -0.0002079100000000 ] - [ 0.0000750400000000, 0.0003635000000000, 0.0001421600000000 ] - [ 0.0004716100000000, -0.0003697600000000, 0.0002233200000000 ] - [ 0.0002151000000000, 0.0016233300000000, -0.0001496900000000 ] - [ -0.0000312900000000, -0.0005629000000000, -0.0000642900000000 ] - [ 0.0001628600000000, 0.0004317100000000, 0.0001040600000000 ] - [ -0.0001115800000000, -0.0005178800000000, -0.0001498100000000 ] - [ 0.0001854600000000, 0.0000095200000000, 0.0000875800000000 ] - [ -0.0001768600000000, 0.0000561500000000, -0.0001167900000000 ] - [ -0.0000550700000000, -0.0004768300000000, -0.0000809500000000 ] - [ 0.0003299900000000, -0.0003381100000000, -0.0000701500000000 ] - [ 0.0004493000000000, -0.0013190100000000, 0.0002201700000000 ] - [ -0.0000073800000000, -0.0003078600000000, -0.0002364100000000 ] - [ -0.0000067100000000, -0.0007422700000000, 0.0003061000000000 ] - [ -0.0009245700000000, 0.0016711600000000, -0.0007460400000000 ] - [ 0.0011625900000000, 0.0005886800000000, 0.0004101800000000 ] - [ -0.0003537300000000, -0.0005290600000000, -0.0000386400000000 ] - [ -0.0010315100000000, -0.0013696200000000, 0.0009933900000000 ] - [ 0.0025527600000000, -0.0013725100000000, -0.0020731000000000 ] - [ 0.0000092200000000, 0.0096325100000000, 0.0012685700000000 ] - [ -0.0001607400000000, -0.0013848200000000, 0.0000895400000000 ] - [ 0.0005229500000000, -0.0002322400000000, 0.0000926700000000 ] - [ -0.0002965600000000, -0.0001479300000000, -0.0002086000000000 ] - [ 0.0003212900000000, 0.0002809400000000, 0.0006670300000000 ] - [ -0.0001062800000000, -0.0007135800000000, -0.0005953700000000 ] - [ 0.0004106000000000, 0.0008379000000000, 0.0001564200000000 ] - [ 0.0000217300000000, -0.0004133100000000, 0.0000387100000000 ] - [ 0.0000018300000000, 0.0024209100000000, -0.0001889800000000 ] - [ 0.0001857500000000, -0.0009361600000000, 0.0002254000000000 ] - [ 0.0007023500000000, 0.0003721200000000, -0.0006527100000000 ] - [ 0.0000043500000000, -0.0006881600000000, 0.0002456400000000 ] - [ 0.0000238800000000, 0.0095196200000000, 0.0012326300000000 ] - [ -0.0000005100000000, -0.0015081100000000, -0.0000177300000000 ] - [ 0.0001440100000000, -0.0036722200000000, 0.0001702800000000 ] - [ 0.0016266400000000, 0.0510775900000000, 0.0201706800000000 ] - [ 0.0000506900000000, -0.0006925300000000, 0.0001961100000000 ] - [ -0.0000590300000000, 0.0016597400000000, -0.0026931500000000 ] - [ 0.0009019900000000, -0.0013567900000000, 0.0008951300000000 ] - [ -0.0029819800000000, -0.0016535600000000, -0.0018967900000000 ] - [ -0.0000167900000000, 0.0001766100000000, -0.0000727600000000 ] - [ 0.0000344400000000, -0.0004587000000000, 0.0000259400000000 ] - [ -0.0000630600000000, 0.0001516500000000, 0.0002010500000000 ] - [ -0.0000330200000000, -0.0001924000000000, 0.0001273200000000 ] - [ -0.0001690900000000, -0.0005369400000000, 0.0000712600000000 ] - [ 0.0004146800000000, 0.0006435600000000, 0.0000830200000000 ] - [ -0.0002405600000000, 0.0005071900000000, 0.0000165200000000 ] - [ -0.0000391300000000, -0.0002475000000000, -0.0000196300000000 ] - [ -0.0001473800000000, -0.0001276100000000, 0.0000053100000000 ] - [ -0.0000897000000000, -0.0001201200000000, 0.0000486700000000 ] - [ -0.0008591400000000, 0.0015165200000000, -0.0006248500000000 ] - [ 0.0002727900000000, -0.0008209700000000, -0.0001725900000000 ] - [ -0.0001364200000000, -0.0002632300000000, -0.0003673100000000 ] - [ 0.0008935100000000, 0.0002635200000000, 0.0009627900000000 ] - [ -0.0004604600000000, -0.0005183600000000, -0.0000035200000000 ] - [ 0.0003506300000000, 0.0000315600000000, 0.0000776400000000 ] - [ -0.0001666300000000, 0.0000801700000000, -0.0001033000000000 ] - [ 0.0003712600000000, 0.0001881500000000, 0.0002215600000000 ] - [ 0.0001155100000000, -0.0002235000000000, 0.0002211300000000 ] - [ 0.0000704900000000, 0.0002605600000000, 0.0000891000000000 ] - [ -0.0000861700000000, -0.0002380200000000, -0.0001381300000000 ] - [ -0.0001630900000000, -0.0002533000000000, 0.0000222500000000 ] - [ -0.0000785400000000, 0.0002534100000000, -0.0001462700000000 ] - [ 0.0000378000000000, -0.0002583000000000, -0.0000399500000000 ] - [ -0.0009661100000000, 0.0001802700000000, -0.0011125800000000 ] - [ 0.0002436700000000, -0.0001814100000000, 0.0001285800000000 ] - [ 0.0000414200000000, 0.0007807600000000, 0.0000295900000000 ] - [ -0.0002467200000000, -0.0002646100000000, -0.0001466300000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003031200000000, 0.0054538000000000, 0.0011785700000000 ] - [ -0.0000279100000000, -0.0014039600000000, 0.0001820400000000 ] - [ 0.0005491000000000, -0.0011721300000000, 0.0013243100000000 ] - [ -0.0003759300000000, -0.0014827600000000, -0.0024775800000000 ] - [ -0.0003674800000000, -0.0003057400000000, -0.0001943600000000 ] - [ 0.0003468700000000, -0.0001992100000000, 0.0000869900000000 ] - [ -0.0001131600000000, 0.0011153300000000, -0.0002568400000000 ] - [ -0.0000079700000000, -0.0005938900000000, -0.0000171600000000 ] - [ 0.0007029600000000, -0.0015877600000000, 0.0002716100000000 ] - [ -0.0129692100000000, -0.0003764500000000, -0.0081245100000000 ] - [ 0.0026569200000000, 0.0828835700000000, 0.0286787600000000 ] - [ -0.0003219900000000, -0.0020883800000000, -0.0011579900000000 ] - [ 0.0000700000000000, -0.0005533800000000, 0.0000747900000000 ] - [ -0.0005926200000000, 0.0005962500000000, -0.0009294900000000 ] - [ -0.0008263900000000, -0.0016231000000000, 0.0003357100000000 ] - [ 0.0103225800000000, 0.0005056800000000, -0.0076535700000000 ] - [ 0.0006905900000000, -0.0001415100000000, 0.0001944300000000 ] - [ -0.0000704600000000, -0.0001428200000000, -0.0000194000000000 ] - [ 0.0000808500000000, -0.0010386800000000, 0.0000620700000000 ] - [ -0.0012298900000000, 0.0010612100000000, 0.0008706600000000 ] - [ 0.0032778900000000, -0.0009007900000000, 0.0021575700000000 ] - [ -0.0008862800000000, -0.0017091300000000, -0.0004886600000000 ] - [ 0.0007380600000000, 0.0003776600000000, 0.0002108300000000 ] - [ 0.0001748100000000, -0.0004380900000000, -0.0003335600000000 ] - [ 0.0030942300000000, -0.0004927500000000, -0.0018562600000000 ] - [ -0.0007463400000000, -0.0006826700000000, 0.0001359500000000 ] - [ -0.0001691700000000, -0.0059364200000000, 0.0014640000000000 ] - [ 0.0000237300000000, -0.0095892800000000, 0.0005061000000000 ] - [ 0.0005413500000000, 0.0007557800000000, 0.0003302900000000 ] - [ 0.0002207400000000, -0.0004344500000000, -0.0000825500000000 ] - [ -0.0033365600000000, -0.0006606200000000, 0.0021217400000000 ] - [ 0.0009034500000000, -0.0018349400000000, -0.0001776700000000 ] - [ 0.0001678800000000, 0.0002817400000000, -0.0003328700000000 ] - [ 0.0002640400000000, -0.0003032100000000, 0.0001596000000000 ] - [ -0.0002401500000000, -0.0000113900000000, 0.0000269700000000 ] - [ -0.0002657700000000, -0.0000147700000000, -0.0000080200000000 ] - [ -0.0019520700000000, -0.0006446900000000, -0.0021670800000000 ] - [ 0.0005044400000000, -0.0007466300000000, 0.0002405100000000 ] - [ -0.0002200700000000, 0.0002456500000000, 0.0001691400000000 ] - [ -0.0004480400000000, -0.0002556200000000, 0.0001199500000000 ] - [ -0.0003135300000000, 0.0007745500000000, 0.0000228700000000 ] - [ 0.0002716900000000, -0.0003190900000000, -0.0000203800000000 ] - [ 0.0001416400000000, 0.0002186800000000, 0.0000721500000000 ] - [ 0.0000461200000000, -0.0002909000000000, 0.0000102900000000 ] - [ -0.0002648800000000, -0.0003977800000000, -0.0001712700000000 ] - [ -0.0000585800000000, 0.0004689700000000, 0.0002621200000000 ] - [ 0.0001352300000000, -0.0007946000000000, -0.0003129400000000 ] - [ 0.0023696700000000, 0.0008780100000000, 0.0016448700000000 ] - [ -0.0002647800000000, -0.0003274400000000, -0.0000321600000000 ] - [ -0.0001700000000000, 0.0003926900000000, 0.0000098900000000 ] - [ -0.0002154400000000, 0.0002267200000000, 0.0000356400000000 ] - [ -0.0002840300000000, -0.0002105600000000, -0.0000115800000000 ] - [ -0.0002076600000000, -0.0002066200000000, -0.0000986400000000 ] - [ 0.0007148700000000, 0.0000056400000000, 0.0001933000000000 ] - [ 0.0002372100000000, -0.0003595400000000, 0.0001196400000000 ] - [ -0.0001563700000000, 0.0003685200000000, 0.0000472500000000 ] - [ -0.0002167900000000, -0.0013429100000000, 0.0001512100000000 ] - [ 0.0000313800000000, 0.0008360800000000, 0.0000631800000000 ] - [ -0.0001609700000000, -0.0007047800000000, -0.0001040800000000 ] - [ 0.0001106300000000, 0.0002429400000000, 0.0001490500000000 ] - [ -0.0001812100000000, 0.0002610800000000, -0.0000843700000000 ] - [ 0.0001751000000000, 0.0002188500000000, 0.0001151100000000 ] - [ 0.0000511200000000, 0.0001940900000000, 0.0000843400000000 ] - [ -0.0003280900000000, 0.0000665700000000, 0.0000641800000000 ] - [ -0.0002056000000000, 0.0010182900000000, -0.0000749900000000 ] - [ 0.0002564100000000, 0.0000175200000000, 0.0003855200000000 ] - [ -0.0000255700000000, 0.0007398900000000, 0.0000301300000000 ] - [ 0.0008921000000000, -0.0016537600000000, 0.0010747500000000 ] - [ -0.0011829800000000, -0.0005879400000000, -0.0002459800000000 ] - [ 0.0003357300000000, 0.0005291600000000, 0.0002021300000000 ] - [ 0.0008732800000000, 0.0014832600000000, -0.0009597900000000 ] - [ -0.0027246100000000, 0.0015002800000000, 0.0021244400000000 ] - [ -0.0000425200000000, -0.0096857400000000, -0.0014256700000000 ] - [ -0.0000117200000000, 0.0012694500000000, -0.0000396400000000 ] - [ -0.0003508400000000, 0.0001097100000000, -0.0001455600000000 ] - [ 0.0004680000000000, 0.0000294300000000, 0.0001534500000000 ] - [ -0.0002907000000000, -0.0002979900000000, -0.0009931700000000 ] - [ 0.0001363200000000, 0.0007139000000000, 0.0002542200000000 ] - [ -0.0002301800000000, -0.0007154900000000, -0.0002020200000000 ] - [ 0.0001499400000000, 0.0005310000000000, -0.0000914600000000 ] - [ 0.0002388000000000, -0.0021223000000000, 0.0003297500000000 ] - [ 0.0000572700000000, 0.0012328200000000, -0.0000820800000000 ] - [ -0.0004547000000000, -0.0003890500000000, 0.0011026200000000 ] - [ 0.0002400100000000, 0.0006882500000000, 0.0001877800000000 ] - [ -0.0004322900000000, -0.0097535100000000, -0.0015807200000000 ] - [ -0.0002462900000000, 0.0012150300000000, -0.0001284800000000 ] - [ -0.0001291900000000, 0.0036810200000000, -0.0003413300000000 ] - [ -0.0014721200000000, -0.0480089100000000, -0.0192721000000000 ] - [ -0.0002982800000000, 0.0006911600000000, -0.0006352600000000 ] - [ -0.0001823200000000, -0.0016411600000000, 0.0022436600000000 ] - [ -0.0011646100000000, 0.0016503000000000, -0.0010603800000000 ] - [ 0.0027412100000000, 0.0019599500000000, 0.0017514300000000 ] - [ 0.0002557700000000, -0.0004733200000000, 0.0002107900000000 ] - [ 0.0002090100000000, 0.0001613600000000, 0.0001210400000000 ] - [ 0.0000345500000000, -0.0001530300000000, 0.0001378800000000 ] - [ 0.0000024900000000, 0.0001935700000000, 0.0002116600000000 ] - [ 0.0001548100000000, 0.0005356100000000, 0.0000922800000000 ] - [ -0.0004310200000000, -0.0006409300000000, 0.0000825600000000 ] - [ 0.0000676300000000, -0.0003860000000000, 0.0000363600000000 ] - [ -0.0001339800000000, 0.0003662000000000, 0.0000749600000000 ] - [ -0.0000258700000000, 0.0000075100000000, 0.0000509900000000 ] - [ -0.0000849100000000, 0.0000008100000000, 0.0000045800000000 ] - [ 0.0010371700000000, -0.0016359400000000, 0.0005627600000000 ] - [ -0.0000979000000000, 0.0007025700000000, 0.0001180900000000 ] - [ 0.0001678600000000, 0.0002626100000000, 0.0000306700000000 ] - [ -0.0008637000000000, -0.0002662600000000, -0.0013080800000000 ] - [ 0.0006369800000000, 0.0006391700000000, -0.0000490200000000 ] - [ -0.0001805400000000, 0.0001001200000000, -0.0001326700000000 ] - [ 0.0004124600000000, 0.0002157000000000, 0.0002479700000000 ] - [ -0.0001281700000000, 0.0001105600000000, -0.0000785400000000 ] - [ 0.0001305000000000, 0.0002237700000000, 0.0002127200000000 ] - [ 0.0001746000000000, -0.0002593300000000, 0.0003430500000000 ] - [ -0.0001580300000000, -0.0000610700000000, -0.0000052200000000 ] - [ -0.0000819400000000, -0.0000425800000000, -0.0001656800000000 ] - [ 0.0000949900000000, -0.0002530000000000, -0.0000175200000000 ] - [ -0.0000212700000000, 0.0002582300000000, -0.0001237900000000 ] - [ 0.0007256900000000, -0.0001824500000000, 0.0006815200000000 ] - [ -0.0004878000000000, 0.0001821400000000, -0.0005618700000000 ] - [ -0.0002850000000000, -0.0004831300000000, -0.0001756300000000 ] - [ 0.0000025700000000, 0.0005619900000000, 0.0000022000000000 ]- atom: 11 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ 0.0055068900000000, 0.0013048700000000, 0.0171524800000000 ] - [ 0.0000206300000000, 0.0002445900000000, 0.0000041400000000 ] - [ 0.0003160500000000, -0.0011658500000000, 0.0011032700000000 ] - [ 0.0002538800000000, 0.0004674200000000, 0.0009739500000000 ] - [ 0.0004843000000000, 0.0005035400000000, 0.0001239300000000 ] - [ 0.0004205300000000, -0.0003278200000000, 0.0001478800000000 ] - [ 0.0010517900000000, -0.0002287200000000, 0.0003479900000000 ] - [ 0.0000335000000000, 0.0000158700000000, 0.0000127100000000 ] - [ -0.0001660900000000, -0.0001140000000000, -0.0002206800000000 ] - [ 0.0022367300000000, 0.0010653600000000, -0.0012656400000000 ] - [ 0.0423505000000000, -0.0240763600000000, -0.1248044000000000 ] - [ -0.0001706600000000, 0.0010010500000000, 0.0002344300000000 ] - [ -0.0002412000000000, 0.0000090000000000, -0.0000879200000000 ] - [ 0.0000169200000000, 0.0000370300000000, 0.0001695200000000 ] - [ -0.0000308700000000, -0.0008438600000000, 0.0000633600000000 ] - [ -0.0062109700000000, 0.0160378200000000, 0.0062026200000000 ] - [ -0.0001959900000000, 0.0001566400000000, -0.0004164400000000 ] - [ -0.0001226100000000, -0.0000246200000000, -0.0003741400000000 ] - [ 0.0004472500000000, 0.0004315200000000, 0.0004558100000000 ] - [ -0.0032536600000000, -0.0023675900000000, 0.0039085900000000 ] - [ 0.0002524000000000, -0.0010872400000000, 0.0000394300000000 ] - [ 0.0001358200000000, 0.0004007800000000, 0.0000012800000000 ] - [ 0.0002570500000000, -0.0001167500000000, 0.0004742100000000 ] - [ 0.0003400700000000, 0.0000420600000000, -0.0000293700000000 ] - [ -0.0055279500000000, 0.0027966400000000, 0.0048953700000000 ] - [ 0.0000020100000000, -0.0003260600000000, 0.0000275900000000 ] - [ 0.0005558800000000, 0.0012541400000000, -0.0046066900000000 ] - [ -0.0002400700000000, 0.0002574400000000, -0.0001118800000000 ] - [ -0.0011566500000000, -0.0001700000000000, -0.0005566700000000 ] - [ 0.0002295100000000, 0.0000412800000000, -0.0000052000000000 ] - [ -0.0059912600000000, -0.0107996800000000, 0.0065026600000000 ] - [ -0.0003849700000000, 0.0006089300000000, 0.0003795900000000 ] - [ -0.0004305300000000, 0.0000982200000000, 0.0008241300000000 ] - [ 0.0002082000000000, -0.0000625300000000, 0.0000441200000000 ] - [ -0.0002607800000000, 0.0000196300000000, 0.0000518400000000 ] - [ -0.0002278200000000, 0.0000005100000000, 0.0000695100000000 ] - [ 0.0023075000000000, 0.0021855200000000, 0.0027377800000000 ] - [ -0.0005739800000000, -0.0002013400000000, -0.0001197900000000 ] - [ -0.0002328400000000, 0.0000514600000000, 0.0001509800000000 ] - [ -0.0003193300000000, -0.0000157700000000, 0.0001278600000000 ] - [ 0.0005997600000000, 0.0003068000000000, -0.0026135400000000 ] - [ 0.0002650200000000, -0.0000112800000000, -0.0000526700000000 ] - [ 0.0001718800000000, -0.0001317500000000, 0.0000001400000000 ] - [ 0.0001558600000000, 0.0000562300000000, 0.0000413200000000 ] - [ -0.0003205700000000, -0.0000777300000000, -0.0001086500000000 ] - [ -0.0006794700000000, -0.0000763700000000, 0.0003905600000000 ] - [ 0.0002459200000000, 0.0002490400000000, 0.0000666100000000 ] - [ 0.0024091900000000, -0.0018533300000000, 0.0013092700000000 ] - [ -0.0001907200000000, -0.0000292400000000, -0.0000270300000000 ] - [ -0.0002143500000000, 0.0001103900000000, -0.0000062600000000 ] - [ -0.0002479200000000, -0.0000032200000000, 0.0001178000000000 ] - [ -0.0002597800000000, -0.0000133100000000, 0.0000100100000000 ] - [ 0.0005951000000000, -0.0001485400000000, -0.0007752000000000 ] - [ 0.0002181800000000, 0.0000306200000000, -0.0008175100000000 ] - [ 0.0001837000000000, -0.0000117500000000, 0.0000620300000000 ] - [ 0.0002479600000000, -0.0000350500000000, 0.0000901200000000 ] - [ 0.0010147800000000, -0.0000236700000000, -0.0020481100000000 ] - [ 0.0000093500000000, 0.0001208900000000, -0.0001466300000000 ] - [ -0.0000728700000000, -0.0001279600000000, -0.0000375600000000 ] - [ -0.0000313800000000, -0.0001886800000000, -0.0000195700000000 ] - [ -0.0002290400000000, 0.0003615100000000, -0.0002356200000000 ] - [ -0.0000752900000000, 0.0001135400000000, -0.0000008200000000 ] - [ 0.0012351200000000, 0.0008140100000000, -0.0014826900000000 ] - [ 0.0002411800000000, 0.0000145000000000, -0.0011019700000000 ] - [ 0.0011498100000000, -0.0017920300000000, -0.0003591800000000 ] - [ 0.0015004600000000, 0.0010934300000000, 0.0002486300000000 ] - [ 0.0000462800000000, 0.0001237600000000, -0.0002618200000000 ] - [ 0.0010895300000000, -0.0018915100000000, -0.0047529000000000 ] - [ 0.0013582700000000, -0.0000396200000000, 0.0002071000000000 ] - [ 0.0000275800000000, 0.0001574500000000, 0.0001169600000000 ] - [ -0.0016106200000000, 0.0026750600000000, 0.0013797100000000 ] - [ -0.0016777100000000, -0.0014796800000000, -0.0000354400000000 ] - [ -0.0421166000000000, 0.0009595800000000, 0.0686792400000000 ] - [ -0.0002929600000000, -0.0002711200000000, 0.0001063200000000 ] - [ 0.0002921600000000, 0.0000131000000000, -0.0002618500000000 ] - [ 0.0002248600000000, -0.0001483600000000, -0.0002644100000000 ] - [ -0.0009802800000000, 0.0004520800000000, -0.0004038700000000 ] - [ -0.0001163700000000, -0.0001995700000000, -0.0003235300000000 ] - [ -0.0002012300000000, -0.0000095800000000, -0.0013236100000000 ] - [ 0.0001394800000000, 0.0000336600000000, -0.0000852300000000 ] - [ 0.0027166700000000, 0.0004072200000000, -0.0017686500000000 ] - [ 0.0001589400000000, -0.0000405000000000, 0.0000570200000000 ] - [ 0.0007334700000000, 0.0018836000000000, -0.0060717400000000 ] - [ 0.0001630600000000, -0.0001277000000000, -0.0000408000000000 ] - [ 0.0111175600000000, 0.0010951900000000, 0.0263271300000000 ] - [ 0.0000208100000000, -0.0004630000000000, -0.0000122000000000 ] - [ 0.0000485700000000, -0.0022976600000000, 0.0009646900000000 ] - [ -0.0030534500000000, 0.0128564500000000, 0.0121300400000000 ] - [ -0.0001835300000000, 0.0000826800000000, -0.0001170900000000 ] - [ -0.0010977200000000, -0.0005804700000000, -0.0000764700000000 ] - [ 0.0003334300000000, 0.0009184500000000, 0.0009196800000000 ] - [ -0.0004605300000000, -0.0004405600000000, -0.0005947300000000 ] - [ 0.0004799900000000, -0.0001962500000000, 0.0010108300000000 ] - [ 0.0001118300000000, -0.0001471600000000, 0.0001015200000000 ] - [ -0.0003233700000000, -0.0000352500000000, 0.0002895200000000 ] - [ -0.0000714300000000, 0.0000381600000000, 0.0001936900000000 ] - [ -0.0000506900000000, 0.0000479800000000, 0.0002060100000000 ] - [ -0.0004856300000000, -0.0001529400000000, 0.0006268400000000 ] - [ -0.0001862400000000, 0.0000746200000000, -0.0001311900000000 ] - [ -0.0000780200000000, 0.0000626400000000, 0.0000175400000000 ] - [ -0.0001038000000000, -0.0000813100000000, -0.0000204000000000 ] - [ -0.0001034800000000, -0.0000459200000000, -0.0000190500000000 ] - [ -0.0023367200000000, 0.0001681600000000, -0.0006496500000000 ] - [ 0.0000668500000000, -0.0001324800000000, -0.0000130500000000 ] - [ 0.0000976000000000, -0.0000532600000000, -0.0003449100000000 ] - [ -0.0004360200000000, 0.0000188900000000, -0.0015931500000000 ] - [ -0.0009350600000000, -0.0009699400000000, 0.0005809700000000 ] - [ -0.0005974300000000, 0.0013801500000000, 0.0001889100000000 ] - [ 0.0000774700000000, 0.0001881400000000, 0.0003008300000000 ] - [ 0.0002181100000000, 0.0001591100000000, 0.0003724300000000 ] - [ 0.0000612000000000, -0.0000552500000000, 0.0002747700000000 ] - [ -0.0000575800000000, 0.0000611700000000, 0.0003520100000000 ] - [ -0.0000584300000000, -0.0002019500000000, -0.0002127600000000 ] - [ -0.0001027900000000, -0.0000707000000000, -0.0002021900000000 ] - [ 0.0000705500000000, -0.0000142200000000, -0.0001652400000000 ] - [ -0.0000020900000000, 0.0000158600000000, -0.0000890100000000 ] - [ -0.0014131600000000, -0.0000141700000000, -0.0019949100000000 ] - [ -0.0000184700000000, 0.0000948400000000, -0.0002553000000000 ] - [ -0.0000208000000000, 0.0001665100000000, -0.0003604200000000 ] - [ -0.0000931100000000, 0.0001754700000000, -0.0000898800000000 ]- atom: 11 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ -0.0053885800000000, -0.0012943800000000, -0.0169917900000000 ] - [ -0.0000143900000000, -0.0002433700000000, -0.0000132900000000 ] - [ -0.0002854700000000, 0.0011515200000000, -0.0011163500000000 ] - [ -0.0002380100000000, -0.0004588700000000, -0.0009936400000000 ] - [ -0.0004956900000000, -0.0005092400000000, -0.0001194500000000 ] - [ -0.0004220100000000, 0.0003303800000000, -0.0001528600000000 ] - [ -0.0010504100000000, 0.0002265500000000, -0.0003461300000000 ] - [ -0.0000487500000000, -0.0000171600000000, -0.0000055500000000 ] - [ 0.0005733200000000, 0.0001204600000000, 0.0002381700000000 ] - [ -0.0018931600000000, -0.0011461600000000, 0.0012252300000000 ] - [ -0.0402238500000000, 0.0241097700000000, 0.1209318900000000 ] - [ -0.0003292900000000, -0.0009695800000000, -0.0002386400000000 ] - [ -0.0000516100000000, -0.0000112300000000, -0.0001676600000000 ] - [ -0.0003107200000000, -0.0000339300000000, -0.0004307200000000 ] - [ -0.0006382800000000, 0.0008380000000000, 0.0002127500000000 ] - [ 0.0054721900000000, -0.0158588500000000, -0.0059138100000000 ] - [ 0.0007063000000000, -0.0001296900000000, 0.0004310400000000 ] - [ 0.0006359500000000, 0.0000579700000000, 0.0003876800000000 ] - [ -0.0001827400000000, -0.0004425600000000, -0.0003380800000000 ] - [ 0.0035483100000000, 0.0023937000000000, -0.0037992900000000 ] - [ -0.0005594200000000, 0.0011472400000000, -0.0001909700000000 ] - [ -0.0004144300000000, -0.0004120900000000, -0.0001273600000000 ] - [ 0.0004209900000000, 0.0001152400000000, -0.0007603600000000 ] - [ 0.0003327300000000, -0.0000433600000000, -0.0002520600000000 ] - [ 0.0051684000000000, -0.0028337800000000, -0.0049292000000000 ] - [ -0.0004183900000000, 0.0003348100000000, -0.0000424100000000 ] - [ -0.0010517300000000, -0.0012206600000000, 0.0045887100000000 ] - [ -0.0002561400000000, -0.0003476700000000, 0.0001335800000000 ] - [ 0.0016733400000000, 0.0001438500000000, 0.0005804800000000 ] - [ 0.0002752000000000, -0.0000759500000000, 0.0000078800000000 ] - [ 0.0062106300000000, 0.0107291000000000, -0.0062139900000000 ] - [ 0.0006834100000000, -0.0006108300000000, -0.0001312300000000 ] - [ 0.0008375200000000, -0.0000978200000000, -0.0008104800000000 ] - [ 0.0002006700000000, 0.0000625400000000, -0.0000261100000000 ] - [ -0.0002434400000000, 0.0000150700000000, -0.0000513200000000 ] - [ -0.0002765700000000, 0.0000318100000000, -0.0000705000000000 ] - [ -0.0026267000000000, -0.0021891200000000, -0.0029730500000000 ] - [ 0.0002806000000000, 0.0002047100000000, -0.0001279900000000 ] - [ -0.0004406200000000, -0.0000531700000000, 0.0001315900000000 ] - [ -0.0003543400000000, 0.0000168200000000, 0.0001527200000000 ] - [ -0.0000801100000000, -0.0002738600000000, 0.0026140400000000 ] - [ 0.0002391100000000, 0.0000419200000000, 0.0000519600000000 ] - [ 0.0000984900000000, 0.0001349000000000, 0.0001142400000000 ] - [ 0.0001158400000000, -0.0000566900000000, 0.0000753200000000 ] - [ 0.0000472300000000, 0.0000739200000000, -0.0000114500000000 ] - [ 0.0003974800000000, 0.0000808100000000, -0.0005134000000000 ] - [ 0.0004292700000000, -0.0002544800000000, -0.0003427000000000 ] - [ -0.0017293400000000, 0.0018476100000000, -0.0015665600000000 ] - [ -0.0002215300000000, 0.0000275800000000, 0.0000048400000000 ] - [ -0.0001966200000000, -0.0001108300000000, -0.0000151500000000 ] - [ -0.0002547800000000, -0.0000304700000000, -0.0001193900000000 ] - [ -0.0002448500000000, -0.0000191000000000, -0.0000102000000000 ] - [ -0.0000911300000000, 0.0001170700000000, 0.0007768000000000 ] - [ 0.0002846600000000, -0.0000652300000000, 0.0008152900000000 ] - [ 0.0001109700000000, 0.0000124400000000, 0.0001914100000000 ] - [ 0.0000413100000000, 0.0000352600000000, 0.0001647500000000 ] - [ -0.0010061700000000, 0.0002900100000000, 0.0020587100000000 ] - [ -0.0000108200000000, 0.0001548300000000, 0.0001475200000000 ] - [ 0.0000782100000000, -0.0001446700000000, 0.0000431200000000 ] - [ 0.0000338400000000, -0.0000815800000000, 0.0000216600000000 ] - [ 0.0002342800000000, -0.0000928800000000, 0.0002419300000000 ] - [ 0.0000779200000000, 0.0001586900000000, 0.0000028400000000 ] - [ -0.0012301700000000, -0.0010733200000000, 0.0014798400000000 ] - [ -0.0002310700000000, -0.0002958000000000, 0.0011048700000000 ] - [ -0.0009197800000000, 0.0015193800000000, 0.0005007300000000 ] - [ -0.0012820500000000, -0.0014185000000000, -0.0001174700000000 ] - [ -0.0000672500000000, -0.0001195900000000, 0.0006054300000000 ] - [ -0.0011203000000000, 0.0018748600000000, 0.0051028200000000 ] - [ -0.0013960400000000, 0.0000416800000000, -0.0000458000000000 ] - [ -0.0000471100000000, -0.0001596300000000, 0.0000478700000000 ] - [ 0.0014284800000000, -0.0025440900000000, -0.0013047600000000 ] - [ 0.0014702900000000, 0.0015983800000000, 0.0001168100000000 ] - [ 0.0392239300000000, -0.0012141500000000, -0.0649877300000000 ] - [ 0.0001141600000000, 0.0001492500000000, -0.0000464800000000 ] - [ -0.0001232600000000, -0.0001330200000000, 0.0002028100000000 ] - [ -0.0000545300000000, 0.0000281400000000, 0.0002039900000000 ] - [ 0.0009812100000000, -0.0004559500000000, 0.0000860800000000 ] - [ 0.0001338800000000, 0.0002004300000000, -0.0000127400000000 ] - [ 0.0003607500000000, 0.0001265700000000, 0.0012562600000000 ] - [ 0.0000341900000000, 0.0000875900000000, 0.0000252400000000 ] - [ -0.0024980500000000, -0.0001115500000000, 0.0019048000000000 ] - [ 0.0000836300000000, 0.0003420200000000, 0.0000824900000000 ] - [ -0.0004882900000000, -0.0018737500000000, 0.0065008800000000 ] - [ 0.0000897600000000, 0.0001258000000000, 0.0004730800000000 ] - [ -0.0111446900000000, -0.0014086600000000, -0.0263977800000000 ] - [ -0.0002669300000000, 0.0001652900000000, -0.0001265900000000 ] - [ -0.0000337400000000, 0.0022779000000000, -0.0011214000000000 ] - [ 0.0030886200000000, -0.0127611900000000, -0.0123404800000000 ] - [ -0.0000711500000000, -0.0000815300000000, -0.0003109600000000 ] - [ 0.0008262400000000, 0.0005805100000000, -0.0003260300000000 ] - [ -0.0005831200000000, -0.0006390000000000, -0.0010566500000000 ] - [ 0.0002250900000000, 0.0007695700000000, 0.0004666300000000 ] - [ -0.0002355400000000, -0.0001007300000000, -0.0008721700000000 ] - [ 0.0001323400000000, -0.0001492600000000, 0.0000408500000000 ] - [ 0.0003031900000000, 0.0000350900000000, 0.0000507400000000 ] - [ 0.0000515700000000, -0.0000388200000000, 0.0001477900000000 ] - [ 0.0000351500000000, -0.0000458200000000, -0.0000395700000000 ] - [ 0.0004728900000000, 0.0001535400000000, -0.0004593000000000 ] - [ 0.0000156300000000, 0.0000441300000000, 0.0001887500000000 ] - [ -0.0000930000000000, 0.0000582600000000, 0.0000430200000000 ] - [ -0.0000681200000000, -0.0000386100000000, 0.0000811100000000 ] - [ -0.0000675600000000, -0.0000733100000000, 0.0000781100000000 ] - [ 0.0025062500000000, -0.0002933300000000, 0.0005726300000000 ] - [ 0.0001067200000000, 0.0000118600000000, -0.0000477500000000 ] - [ -0.0000784800000000, 0.0000534600000000, 0.0000033100000000 ] - [ 0.0004525300000000, -0.0000197300000000, 0.0012431600000000 ] - [ 0.0011183300000000, 0.0011017000000000, -0.0006462400000000 ] - [ 0.0007698700000000, -0.0012604000000000, -0.0002494700000000 ] - [ 0.0001699100000000, 0.0001093000000000, -0.0001595700000000 ] - [ 0.0000282100000000, 0.0001375200000000, -0.0002320800000000 ] - [ 0.0001928900000000, 0.0000560700000000, 0.0001580800000000 ] - [ 0.0003120300000000, -0.0000598300000000, 0.0000828400000000 ] - [ -0.0001844300000000, -0.0000950000000000, 0.0000738200000000 ] - [ -0.0001373600000000, -0.0002292200000000, 0.0000628200000000 ] - [ -0.0000488500000000, 0.0000140400000000, 0.0000000300000000 ] - [ 0.0000214400000000, -0.0000156600000000, -0.0000777700000000 ] - [ 0.0011654900000000, 0.0000129400000000, 0.0015688200000000 ] - [ -0.0002344800000000, -0.0000955500000000, -0.0001789300000000 ] - [ -0.0002191800000000, 0.0001311600000000, 0.0002191300000000 ] - [ -0.0001482300000000, 0.0001232400000000, -0.0000509600000000 ]- atom: 13 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ 0.0000190500000000, -0.0008625600000000, 0.0004834300000000 ] - [ 0.0097858900000000, 0.0096565100000000, 0.0053951700000000 ] - [ 0.0097858900000000, -0.0096565100000000, 0.0053951700000000 ] - [ 0.0000190500000000, 0.0008625600000000, 0.0004834300000000 ] - [ 0.0014175600000000, 0.0005504800000000, 0.0007407700000000 ] - [ 0.0005508500000000, -0.0005445400000000, 0.0001395400000000 ] - [ 0.0005508500000000, 0.0005445400000000, 0.0001395400000000 ] - [ 0.0014175600000000, -0.0005504800000000, 0.0007407700000000 ] - [ -0.0020303400000000, 0.0000000000000000, 0.0061550600000000 ] - [ 0.0001305400000000, 0.0000000000000000, -0.0000824600000000 ] - [ -0.0001582300000000, -0.0001985000000000, -0.0000536600000000 ] - [ 0.0006789300000000, 0.0004679100000000, 0.0006865800000000 ] - [ -0.1004444300000000, 0.0000000000000000, -0.0196799500000000 ] - [ -0.0012018600000000, 0.0000000000000000, 0.0000604300000000 ] - [ 0.0012695400000000, 0.0000000000000000, 0.0011672200000000 ] - [ 0.0000962800000000, 0.0000000000000000, 0.0003930900000000 ] - [ 0.0048021600000000, -0.0034513400000000, -0.0044557800000000 ] - [ -0.0000275000000000, 0.0007750300000000, -0.0007601000000000 ] - [ 0.0021308000000000, 0.0000000000000000, 0.0006554400000000 ] - [ 0.0006280100000000, 0.0000000000000000, 0.0003303700000000 ] - [ -0.0030584700000000, 0.0001340200000000, -0.0008564500000000 ] - [ -0.0030584700000000, -0.0001340200000000, -0.0008564500000000 ] - [ -0.0025920300000000, -0.0044684600000000, 0.0007568200000000 ] - [ -0.0025920300000000, 0.0044684600000000, 0.0007568200000000 ] - [ 0.0004004800000000, -0.0012392300000000, 0.0001599000000000 ] - [ 0.0004004800000000, 0.0012392300000000, 0.0001599000000000 ] - [ 0.0006789300000000, -0.0004679100000000, 0.0006865800000000 ] - [ -0.0001582300000000, 0.0001985000000000, -0.0000536600000000 ] - [ -0.0000275000000000, -0.0007750300000000, -0.0007601000000000 ] - [ 0.0048021600000000, 0.0034513400000000, -0.0044557800000000 ] - [ 0.0011835500000000, -0.0005370600000000, 0.0005454800000000 ] - [ 0.0011835500000000, 0.0005370600000000, 0.0005454800000000 ] - [ 0.0007698700000000, 0.0007411100000000, 0.0004516500000000 ] - [ 0.0007698700000000, -0.0007411100000000, 0.0004516500000000 ] - [ -0.0005013100000000, 0.0018194600000000, 0.0026770900000000 ] - [ -0.0004875500000000, -0.0006350000000000, -0.0006120500000000 ] - [ 0.0007750000000000, 0.0000231700000000, 0.0001903300000000 ] - [ 0.0007750000000000, -0.0000231700000000, 0.0001903300000000 ] - [ -0.0001069900000000, 0.0018665600000000, -0.0009739900000000 ] - [ -0.0001069900000000, -0.0018665600000000, -0.0009739900000000 ] - [ 0.0007520600000000, 0.0001122100000000, 0.0003097300000000 ] - [ 0.0012933800000000, -0.0002905200000000, 0.0006807600000000 ] - [ 0.0013745400000000, 0.0021304200000000, 0.0007515400000000 ] - [ 0.0013745400000000, -0.0021304200000000, 0.0007515400000000 ] - [ 0.0010446500000000, 0.0000000000000000, 0.0007945300000000 ] - [ 0.0003535500000000, 0.0000000000000000, 0.0002322200000000 ] - [ 0.0016243900000000, 0.0000000000000000, 0.0002210600000000 ] - [ 0.0008472000000000, 0.0000000000000000, 0.0000154000000000 ] - [ 0.0040161000000000, 0.0000000000000000, -0.0000046100000000 ] - [ -0.0002696300000000, 0.0000000000000000, 0.0000028100000000 ] - [ -0.0004875500000000, 0.0006350000000000, -0.0006120500000000 ] - [ -0.0005013100000000, -0.0018194600000000, 0.0026770900000000 ] - [ 0.0012933800000000, 0.0002905200000000, 0.0006807600000000 ] - [ 0.0007520600000000, -0.0001122100000000, 0.0003097300000000 ] - [ 0.0024552600000000, 0.0000000000000000, -0.0028065000000000 ] - [ -0.0005513500000000, 0.0000000000000000, 0.0000748800000000 ] - [ -0.0004223900000000, 0.0002126700000000, -0.0001115200000000 ] - [ -0.0008598000000000, 0.0000482000000000, -0.0003622700000000 ] - [ 0.0009293900000000, -0.0005015900000000, -0.0000602700000000 ] - [ -0.0005327900000000, 0.0022747200000000, 0.0013562500000000 ] - [ -0.0005327900000000, -0.0022747200000000, 0.0013562500000000 ] - [ 0.0009293900000000, 0.0005015900000000, -0.0000602700000000 ] - [ -0.0008598000000000, -0.0000482000000000, -0.0003622700000000 ] - [ -0.0004223900000000, -0.0002126700000000, -0.0001115200000000 ] - [ -0.0012238500000000, 0.0008677200000000, 0.0004137600000000 ] - [ 0.0001810500000000, -0.0008933000000000, 0.0001268700000000 ] - [ -0.0023804700000000, 0.0000000000000000, -0.0012318500000000 ] - [ -0.0003224100000000, 0.0000000000000000, -0.0001891000000000 ] - [ -0.0003277700000000, 0.0024365700000000, 0.0002690100000000 ] - [ -0.0003277700000000, -0.0024365700000000, 0.0002690100000000 ] - [ -0.0013097200000000, 0.0005038000000000, -0.0007566700000000 ] - [ -0.0002693300000000, -0.0001460000000000, -0.0001432000000000 ] - [ -0.0002693300000000, 0.0001460000000000, -0.0001432000000000 ] - [ -0.0013097200000000, -0.0005038000000000, -0.0007566700000000 ] - [ 0.0253916900000000, -0.0163971900000000, -0.0036129300000000 ] - [ -0.0001093400000000, -0.0011141400000000, 0.0000755200000000 ] - [ 0.0011651800000000, 0.0017186000000000, -0.0008105700000000 ] - [ 0.0011651800000000, -0.0017186000000000, -0.0008105700000000 ] - [ -0.0001093400000000, 0.0011141400000000, 0.0000755200000000 ] - [ 0.0253916900000000, 0.0163971900000000, -0.0036129300000000 ] - [ 0.0001810500000000, 0.0008933000000000, 0.0001268700000000 ] - [ -0.0012238500000000, -0.0008677200000000, 0.0004137600000000 ] - [ -0.0009787100000000, 0.0013502600000000, -0.0001667200000000 ] - [ -0.0009787100000000, -0.0013502600000000, -0.0001667200000000 ] - [ 0.0003077500000000, -0.0004783000000000, -0.0003213300000000 ] - [ 0.0000079500000000, -0.0028139600000000, -0.0017469700000000 ] - [ -0.0015126300000000, 0.0000000000000000, -0.0009413100000000 ] - [ 0.0000155300000000, 0.0000000000000000, 0.0000283400000000 ] - [ 0.0324956600000000, 0.0000000000000000, 0.0219148500000000 ] - [ 0.0002698700000000, 0.0000000000000000, -0.0002163400000000 ] - [ 0.0000079500000000, 0.0028139600000000, -0.0017469700000000 ] - [ 0.0003077500000000, 0.0004783000000000, -0.0003213300000000 ] - [ -0.0008125900000000, -0.0010651800000000, -0.0003083400000000 ] - [ -0.0010082300000000, 0.0009885400000000, -0.0003549500000000 ] - [ -0.0004415200000000, -0.0007861000000000, 0.0005054400000000 ] - [ -0.0004415200000000, 0.0007861000000000, 0.0005054400000000 ] - [ -0.0023634000000000, 0.0000000000000000, -0.0003794100000000 ] - [ -0.0003473900000000, 0.0000000000000000, -0.0000197500000000 ] - [ 0.0000127000000000, -0.0006974000000000, -0.0000391500000000 ] - [ 0.0001717100000000, 0.0011717800000000, -0.0004707400000000 ] - [ 0.0001717100000000, -0.0011717800000000, -0.0004707400000000 ] - [ 0.0000127000000000, 0.0006974000000000, -0.0000391500000000 ] - [ -0.0004119600000000, -0.0000194500000000, -0.0000600100000000 ] - [ -0.0007699800000000, 0.0000516300000000, -0.0001659200000000 ] - [ -0.0007740000000000, 0.0000000000000000, -0.0010423900000000 ] - [ -0.0003992100000000, 0.0000000000000000, -0.0004534400000000 ] - [ -0.0007699800000000, -0.0000516300000000, -0.0001659200000000 ] - [ -0.0004119600000000, 0.0000194500000000, -0.0000600100000000 ] - [ -0.0010082300000000, -0.0009885400000000, -0.0003549500000000 ] - [ -0.0008125900000000, 0.0010651800000000, -0.0003083400000000 ] - [ -0.0006220300000000, 0.0000000000000000, 0.0009323800000000 ] - [ 0.0003626800000000, 0.0000000000000000, 0.0003682100000000 ] - [ -0.0015586200000000, -0.0001913100000000, -0.0014522300000000 ] - [ -0.0002208400000000, 0.0003465800000000, 0.0000221200000000 ] - [ -0.0003276900000000, -0.0021883100000000, -0.0004063600000000 ] - [ -0.0003276900000000, 0.0021883100000000, -0.0004063600000000 ] - [ -0.0007140100000000, -0.0003551700000000, -0.0008251600000000 ] - [ -0.0007140100000000, 0.0003551700000000, -0.0008251600000000 ] - [ -0.0002208400000000, -0.0003465800000000, 0.0000221200000000 ] - [ -0.0015586200000000, 0.0001913100000000, -0.0014522300000000 ]- atom: 13 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ -0.0000170200000000, 0.0008575100000000, -0.0004808000000000 ] - [ -0.0098265600000000, -0.0097316100000000, -0.0054410100000000 ] - [ -0.0098265600000000, 0.0097316100000000, -0.0054410100000000 ] - [ -0.0000170200000000, -0.0008575100000000, -0.0004808000000000 ] - [ -0.0014176700000000, -0.0005449800000000, -0.0007355200000000 ] - [ -0.0005450200000000, 0.0005443800000000, -0.0001411500000000 ] - [ -0.0005450200000000, -0.0005443800000000, -0.0001411500000000 ] - [ -0.0014176700000000, 0.0005449800000000, -0.0007355200000000 ] - [ 0.0024385600000000, 0.0000000000000000, -0.0061092000000000 ] - [ 0.0002749200000000, 0.0000000000000000, 0.0001057400000000 ] - [ -0.0003439400000000, 0.0002304000000000, 0.0000630400000000 ] - [ -0.0011785000000000, -0.0004345700000000, -0.0006911600000000 ] - [ 0.1021964000000000, 0.0000000000000000, 0.0202156200000000 ] - [ 0.0008964300000000, 0.0000000000000000, -0.0003095600000000 ] - [ -0.0019404200000000, 0.0000000000000000, -0.0008875400000000 ] - [ -0.0007598000000000, 0.0000000000000000, -0.0000990600000000 ] - [ -0.0042825800000000, 0.0035055000000000, 0.0044638500000000 ] - [ 0.0005292600000000, -0.0007453400000000, 0.0007553100000000 ] - [ -0.0018621900000000, 0.0000000000000000, -0.0005319300000000 ] - [ -0.0003429600000000, 0.0000000000000000, -0.0002170100000000 ] - [ 0.0027711000000000, -0.0001266300000000, 0.0007345300000000 ] - [ 0.0027711000000000, 0.0001266300000000, 0.0007345300000000 ] - [ 0.0032428800000000, 0.0044344000000000, -0.0010321800000000 ] - [ 0.0032428800000000, -0.0044344000000000, -0.0010321800000000 ] - [ -0.0008050300000000, 0.0012425300000000, -0.0001778000000000 ] - [ -0.0008050300000000, -0.0012425300000000, -0.0001778000000000 ] - [ -0.0011785000000000, 0.0004345700000000, -0.0006911600000000 ] - [ -0.0003439400000000, -0.0002304000000000, 0.0000630400000000 ] - [ 0.0005292600000000, 0.0007453400000000, 0.0007553100000000 ] - [ -0.0042825800000000, -0.0035055000000000, 0.0044638500000000 ] - [ -0.0008865100000000, 0.0005443200000000, -0.0002909700000000 ] - [ -0.0008865100000000, -0.0005443200000000, -0.0002909700000000 ] - [ -0.0003614600000000, -0.0007369800000000, -0.0004282900000000 ] - [ -0.0003614600000000, 0.0007369800000000, -0.0004282900000000 ] - [ -0.0000176100000000, -0.0017923500000000, -0.0026927400000000 ] - [ -0.0000168100000000, 0.0006641200000000, 0.0006106200000000 ] - [ -0.0010667700000000, -0.0000220000000000, -0.0004422600000000 ] - [ -0.0010667700000000, 0.0000220000000000, -0.0004422600000000 ] - [ -0.0005641900000000, -0.0018592400000000, 0.0012503500000000 ] - [ -0.0005641900000000, 0.0018592400000000, 0.0012503500000000 ] - [ -0.0002480000000000, -0.0000792700000000, -0.0003131800000000 ] - [ -0.0007834000000000, 0.0003156300000000, -0.0006785900000000 ] - [ -0.0010943200000000, -0.0021145700000000, -0.0006335700000000 ] - [ -0.0010943200000000, 0.0021145700000000, -0.0006335700000000 ] - [ -0.0013106000000000, 0.0000000000000000, -0.0009115400000000 ] - [ -0.0006272700000000, 0.0000000000000000, -0.0003491200000000 ] - [ -0.0009420100000000, 0.0000000000000000, -0.0004998400000000 ] - [ -0.0001734000000000, 0.0000000000000000, -0.0002973200000000 ] - [ -0.0043788900000000, 0.0000000000000000, -0.0000173300000000 ] - [ -0.0001371100000000, 0.0000000000000000, -0.0000291900000000 ] - [ -0.0000168100000000, -0.0006641200000000, 0.0006106200000000 ] - [ -0.0000176100000000, 0.0017923500000000, -0.0026927400000000 ] - [ -0.0007834000000000, -0.0003156300000000, -0.0006785900000000 ] - [ -0.0002480000000000, 0.0000792700000000, -0.0003131800000000 ] - [ -0.0021393700000000, 0.0000000000000000, 0.0030207500000000 ] - [ 0.0008440600000000, 0.0000000000000000, 0.0001796200000000 ] - [ 0.0004204700000000, 0.0000595200000000, 0.0001107000000000 ] - [ 0.0008569600000000, 0.0002264600000000, 0.0003611400000000 ] - [ -0.0009251200000000, 0.0002249800000000, 0.0000603100000000 ] - [ 0.0005355900000000, -0.0025299800000000, -0.0013434900000000 ] - [ 0.0005355900000000, 0.0025299800000000, -0.0013434900000000 ] - [ -0.0009251200000000, -0.0002249800000000, 0.0000603100000000 ] - [ 0.0008569600000000, -0.0002264600000000, 0.0003611400000000 ] - [ 0.0004204700000000, -0.0000595200000000, 0.0001107000000000 ] - [ 0.0014611900000000, -0.0011784300000000, -0.0002927100000000 ] - [ 0.0000649500000000, 0.0005929700000000, 0.0000030200000000 ] - [ 0.0023657900000000, 0.0000000000000000, 0.0015821700000000 ] - [ 0.0003075200000000, 0.0000000000000000, 0.0005288500000000 ] - [ 0.0002960600000000, -0.0024073800000000, -0.0000977300000000 ] - [ 0.0002960600000000, 0.0024073800000000, -0.0000977300000000 ] - [ 0.0011370900000000, -0.0003829600000000, 0.0008233100000000 ] - [ 0.0001004600000000, 0.0002663500000000, 0.0002115900000000 ] - [ 0.0001004600000000, -0.0002663500000000, 0.0002115900000000 ] - [ 0.0011370900000000, 0.0003829600000000, 0.0008233100000000 ] - [ -0.0257596100000000, 0.0171317800000000, 0.0037994100000000 ] - [ 0.0002798600000000, 0.0009930200000000, -0.0001452600000000 ] - [ -0.0011480800000000, -0.0017135500000000, 0.0004559200000000 ] - [ -0.0011480800000000, 0.0017135500000000, 0.0004559200000000 ] - [ 0.0002798600000000, -0.0009930200000000, -0.0001452600000000 ] - [ -0.0257596100000000, -0.0171317800000000, 0.0037994100000000 ] - [ 0.0000649500000000, -0.0005929700000000, 0.0000030200000000 ] - [ 0.0014611900000000, 0.0011784300000000, -0.0002927100000000 ] - [ 0.0012364800000000, -0.0013516600000000, 0.0005914800000000 ] - [ 0.0012364800000000, 0.0013516600000000, 0.0005914800000000 ] - [ -0.0005542200000000, 0.0001773700000000, 0.0001871400000000 ] - [ -0.0002571900000000, 0.0025033100000000, 0.0016124100000000 ] - [ 0.0015147100000000, 0.0000000000000000, 0.0007650300000000 ] - [ 0.0000012400000000, 0.0000000000000000, -0.0001859600000000 ] - [ -0.0335850500000000, 0.0000000000000000, -0.0235381700000000 ] - [ -0.0005289100000000, 0.0000000000000000, -0.0002135300000000 ] - [ -0.0002571900000000, -0.0025033100000000, 0.0016124100000000 ] - [ -0.0005542200000000, -0.0001773700000000, 0.0001871400000000 ] - [ 0.0010569600000000, 0.0007617100000000, 0.0004393800000000 ] - [ 0.0012484800000000, -0.0012728100000000, 0.0004887700000000 ] - [ 0.0004266800000000, 0.0007816000000000, -0.0001602700000000 ] - [ 0.0004266800000000, -0.0007816000000000, -0.0001602700000000 ] - [ 0.0023278000000000, 0.0000000000000000, 0.0005383500000000 ] - [ 0.0003285900000000, 0.0000000000000000, 0.0001785300000000 ] - [ -0.0001807900000000, 0.0008145400000000, 0.0001060100000000 ] - [ -0.0003409700000000, -0.0010416000000000, 0.0005380100000000 ] - [ -0.0003409700000000, 0.0010416000000000, 0.0005380100000000 ] - [ -0.0001807900000000, -0.0008145400000000, 0.0001060100000000 ] - [ 0.0005769300000000, -0.0001013800000000, -0.0000084300000000 ] - [ 0.0009323800000000, -0.0001707600000000, 0.0000985300000000 ] - [ 0.0007859900000000, 0.0000000000000000, 0.0006996300000000 ] - [ 0.0004119500000000, 0.0000000000000000, 0.0001103200000000 ] - [ 0.0009323800000000, 0.0001707600000000, 0.0000985300000000 ] - [ 0.0005769300000000, 0.0001013800000000, -0.0000084300000000 ] - [ 0.0012484800000000, 0.0012728100000000, 0.0004887700000000 ] - [ 0.0010569600000000, -0.0007617100000000, 0.0004393800000000 ] - [ 0.0008750300000000, 0.0000000000000000, -0.0004932100000000 ] - [ -0.0001011500000000, 0.0000000000000000, 0.0000638800000000 ] - [ 0.0013121900000000, -0.0001087000000000, 0.0013247900000000 ] - [ -0.0000283100000000, -0.0006427700000000, -0.0001542000000000 ] - [ 0.0003413900000000, 0.0021860600000000, 0.0002480400000000 ] - [ 0.0003413900000000, -0.0021860600000000, 0.0002480400000000 ] - [ 0.0004524100000000, 0.0003524300000000, 0.0003941800000000 ] - [ 0.0004524100000000, -0.0003524300000000, 0.0003941800000000 ] - [ -0.0000283100000000, 0.0006427700000000, -0.0001542000000000 ] - [ 0.0013121900000000, 0.0001087000000000, 0.0013247900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013254800000000, 0.0026648200000000, -0.0008243700000000 ] - [ 0.0101389900000000, -0.0001680200000000, 0.0090364900000000 ] - [ -0.0101602000000000, -0.0002237000000000, -0.0090851400000000 ] - [ 0.0013170400000000, 0.0026740400000000, 0.0008227600000000 ] - [ 0.0008253300000000, -0.0012059400000000, 0.0006989400000000 ] - [ -0.0006182000000000, 0.0012415600000000, -0.0002248500000000 ] - [ 0.0006346100000000, 0.0012306200000000, 0.0002175400000000 ] - [ -0.0008267800000000, -0.0011966100000000, -0.0006833600000000 ] - [ 0.0001779600000000, -0.0041281900000000, 0.0000635700000000 ] - [ 0.0001855800000000, 0.0020499300000000, 0.0000183000000000 ] - [ -0.0007497600000000, 0.0005789600000000, -0.0002415200000000 ] - [ 0.0002656100000000, -0.0005654900000000, 0.0003390500000000 ] - [ 0.0008022300000000, -0.0744321100000000, -0.0005283900000000 ] - [ -0.0001666800000000, 0.0036007400000000, -0.0001413000000000 ] - [ -0.0003192100000000, -0.0012365800000000, 0.0001415600000000 ] - [ -0.0003232100000000, 0.0009215300000000, 0.0001416000000000 ] - [ -0.0088300000000000, 0.0007243200000000, 0.0073288600000000 ] - [ 0.0005728700000000, 0.0018645100000000, -0.0005313100000000 ] - [ 0.0001419000000000, -0.0039332500000000, 0.0000558200000000 ] - [ 0.0001452500000000, 0.0016975900000000, 0.0000574300000000 ] - [ -0.0020995100000000, 0.0021853800000000, -0.0023116900000000 ] - [ 0.0017990400000000, 0.0021866000000000, 0.0021777500000000 ] - [ 0.0000188500000000, 0.0136363700000000, -0.0000219600000000 ] - [ 0.0005927800000000, 0.0135334000000000, -0.0002385400000000 ] - [ -0.0014211500000000, 0.0012137800000000, -0.0007969700000000 ] - [ 0.0010526200000000, 0.0012087800000000, 0.0007567500000000 ] - [ -0.0007592400000000, -0.0006312400000000, -0.0003070400000000 ] - [ 0.0002447300000000, 0.0005271500000000, 0.0002726800000000 ] - [ -0.0000800800000000, 0.0018078700000000, 0.0005010700000000 ] - [ 0.0092999900000000, 0.0006639700000000, -0.0073384600000000 ] - [ -0.0003712100000000, 0.0001542600000000, -0.0003568400000000 ] - [ 0.0007075100000000, 0.0001495600000000, 0.0006379200000000 ] - [ 0.0005379600000000, 0.0003718300000000, 0.0003127400000000 ] - [ -0.0001729300000000, 0.0003686700000000, -0.0002715900000000 ] - [ 0.0016280700000000, 0.0006729200000000, 0.0035230600000000 ] - [ -0.0007541400000000, 0.0007724000000000, -0.0004862300000000 ] - [ -0.0001897800000000, -0.0000045900000000, -0.0000152600000000 ] - [ -0.0001457800000000, 0.0000010700000000, -0.0002678400000000 ] - [ 0.0016811600000000, 0.0015862200000000, -0.0001159000000000 ] - [ -0.0023219000000000, 0.0015910100000000, 0.0003974300000000 ] - [ 0.0005690600000000, 0.0003886300000000, 0.0001722800000000 ] - [ -0.0000125700000000, -0.0003379700000000, -0.0001199800000000 ] - [ 0.0029079900000000, 0.0016524400000000, 0.0013601000000000 ] - [ -0.0026030100000000, 0.0016482200000000, -0.0012428800000000 ] - [ -0.0001458200000000, -0.0018343300000000, -0.0000570600000000 ] - [ -0.0001518100000000, 0.0010537100000000, -0.0000578400000000 ] - [ 0.0003214900000000, -0.0006846800000000, -0.0001391900000000 ] - [ 0.0003219800000000, 0.0006829200000000, -0.0001414900000000 ] - [ -0.0001929100000000, -0.0023070500000000, -0.0000161900000000 ] - [ -0.0001834600000000, 0.0014862000000000, -0.0000231700000000 ] - [ 0.0002608300000000, 0.0007145800000000, 0.0005238700000000 ] - [ -0.0021204400000000, 0.0006221100000000, -0.0034858500000000 ] - [ 0.0005134700000000, -0.0003993100000000, 0.0000834200000000 ] - [ -0.0000705900000000, 0.0003341400000000, -0.0002042900000000 ] - [ 0.0001720000000000, -0.0070708800000000, 0.0001400600000000 ] - [ 0.0001702100000000, 0.0023543700000000, 0.0001431700000000 ] - [ 0.0000514300000000, -0.0002737400000000, -0.0000202000000000 ] - [ 0.0000012800000000, 0.0006297800000000, 0.0000689200000000 ] - [ -0.0005015500000000, -0.0017480400000000, 0.0002671800000000 ] - [ 0.0013953400000000, 0.0016368600000000, 0.0003827200000000 ] - [ -0.0013365400000000, 0.0020347700000000, -0.0004571900000000 ] - [ 0.0004986800000000, -0.0014715300000000, -0.0002655800000000 ] - [ -0.0000043700000000, 0.0003542400000000, -0.0000682300000000 ] - [ -0.0000519600000000, -0.0005509600000000, 0.0000196900000000 ] - [ 0.0052380100000000, 0.0010254300000000, 0.0017132300000000 ] - [ -0.0008018500000000, -0.0015285600000000, -0.0003936800000000 ] - [ -0.0000330100000000, 0.0026799200000000, 0.0001701200000000 ] - [ -0.0000237700000000, -0.0012830200000000, 0.0001681700000000 ] - [ 0.0023906300000000, -0.0036888400000000, -0.0007862200000000 ] - [ -0.0024062300000000, -0.0037064600000000, 0.0009595300000000 ] - [ 0.0009086800000000, 0.0005187100000000, 0.0009913100000000 ] - [ -0.0004779500000000, -0.0004680100000000, -0.0001884800000000 ] - [ 0.0003015200000000, -0.0005831200000000, 0.0002306700000000 ] - [ -0.0010875800000000, 0.0003968400000000, -0.0009509900000000 ] - [ -0.0128605300000000, 0.0205647600000000, 0.0002437200000000 ] - [ -0.0007543600000000, -0.0039020800000000, -0.0003124300000000 ] - [ 0.0013918600000000, -0.0025372900000000, 0.0021986200000000 ] - [ -0.0013278900000000, -0.0025285800000000, -0.0025245700000000 ] - [ 0.0009423600000000, -0.0038032400000000, 0.0002709300000000 ] - [ 0.0120744200000000, 0.0195838400000000, 0.0000757100000000 ] - [ 0.0010423600000000, -0.0012326300000000, 0.0005517600000000 ] - [ -0.0049880100000000, 0.0013201200000000, -0.0015507300000000 ] - [ 0.0008861100000000, -0.0006019100000000, 0.0009327400000000 ] - [ -0.0006582300000000, -0.0006073800000000, -0.0004936700000000 ] - [ 0.0010146700000000, -0.0024606300000000, 0.0008238900000000 ] - [ -0.0006939100000000, 0.0021819700000000, -0.0013507600000000 ] - [ -0.0000004600000000, 0.0011820800000000, -0.0000907000000000 ] - [ 0.0000079300000000, -0.0013547800000000, -0.0000832500000000 ] - [ -0.0000938300000000, 0.0110764200000000, -0.0001803300000000 ] - [ -0.0001149100000000, -0.0014573600000000, -0.0002165500000000 ] - [ 0.0004573700000000, 0.0025028900000000, 0.0011888000000000 ] - [ -0.0012486400000000, -0.0021640800000000, -0.0009785000000000 ] - [ -0.0009026800000000, -0.0019179100000000, -0.0003134100000000 ] - [ 0.0007270300000000, 0.0012876600000000, 0.0006182700000000 ] - [ -0.0013910900000000, -0.0004708900000000, -0.0001676700000000 ] - [ 0.0013393100000000, -0.0004700000000000, 0.0005028500000000 ] - [ -0.0000052000000000, 0.0007927500000000, 0.0000830700000000 ] - [ -0.0000087700000000, -0.0009502400000000, 0.0000829600000000 ] - [ -0.0000236500000000, -0.0016239000000000, -0.0003910100000000 ] - [ -0.0007089700000000, 0.0017590400000000, 0.0010955100000000 ] - [ 0.0005247600000000, 0.0016411200000000, -0.0010502900000000 ] - [ -0.0001551700000000, -0.0017414500000000, 0.0004325000000000 ] - [ -0.0000980000000000, -0.0004269300000000, -0.0000741900000000 ] - [ 0.0002550200000000, 0.0003167900000000, 0.0000597500000000 ] - [ 0.0000236800000000, 0.0008767000000000, -0.0001672300000000 ] - [ 0.0000246200000000, -0.0006904800000000, -0.0001678500000000 ] - [ -0.0000806400000000, 0.0004360600000000, -0.0000986400000000 ] - [ 0.0002726600000000, -0.0003115500000000, 0.0000326400000000 ] - [ -0.0004894900000000, 0.0015899500000000, -0.0004621800000000 ] - [ 0.0011372200000000, -0.0016201600000000, 0.0004710500000000 ] - [ 0.0001133000000000, 0.0013682700000000, 0.0002169200000000 ] - [ 0.0001152600000000, -0.0008359800000000, 0.0002181800000000 ] - [ -0.0018566500000000, 0.0003564900000000, -0.0017379800000000 ] - [ 0.0005429000000000, -0.0007148900000000, 0.0003890600000000 ] - [ -0.0008916100000000, -0.0004385000000000, -0.0003589400000000 ] - [ 0.0009043000000000, -0.0004481900000000, 0.0001936300000000 ] - [ -0.0002237500000000, -0.0000941900000000, -0.0005125900000000 ] - [ -0.0000058600000000, -0.0000953700000000, 0.0000743200000000 ] - [ -0.0007846200000000, -0.0004181700000000, -0.0005496600000000 ] - [ 0.0016177300000000, 0.0006504200000000, 0.0015875300000000 ]- atom: 13 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ -0.0003206500000000, 0.0001480100000000, -0.0007285300000000 ] - [ 0.0010140200000000, 0.0036289500000000, -0.0065961000000000 ] - [ 0.0010140200000000, -0.0036289500000000, -0.0065961000000000 ] - [ -0.0003206500000000, -0.0001480100000000, -0.0007285300000000 ] - [ -0.0008174300000000, -0.0001766000000000, 0.0002430300000000 ] - [ -0.0002240900000000, 0.0002432100000000, 0.0002455500000000 ] - [ -0.0002240900000000, -0.0002432100000000, 0.0002455500000000 ] - [ -0.0008174300000000, 0.0001766000000000, 0.0002430300000000 ] - [ 0.0019329000000000, 0.0000000000000000, 0.0107734700000000 ] - [ 0.0000404300000000, 0.0000000000000000, -0.0000182400000000 ] - [ -0.0002627300000000, -0.0000595300000000, 0.0000932100000000 ] - [ 0.0001420400000000, 0.0005107700000000, 0.0004259500000000 ] - [ 0.0312178000000000, 0.0000000000000000, -0.0509986500000000 ] - [ 0.0005116600000000, 0.0000000000000000, -0.0005515500000000 ] - [ 0.0000504300000000, 0.0000000000000000, -0.0001986700000000 ] - [ -0.0004645600000000, 0.0000000000000000, -0.0000233200000000 ] - [ -0.0068921200000000, 0.0034509200000000, 0.0057940200000000 ] - [ 0.0001598800000000, -0.0006150600000000, 0.0004893300000000 ] - [ -0.0009320700000000, 0.0000000000000000, -0.0006659600000000 ] - [ -0.0002209800000000, 0.0000000000000000, -0.0001732700000000 ] - [ 0.0009191100000000, -0.0020472800000000, 0.0002267800000000 ] - [ 0.0009191100000000, 0.0020472800000000, 0.0002267800000000 ] - [ 0.0024405900000000, 0.0054363200000000, -0.0021280500000000 ] - [ 0.0024405900000000, -0.0054363200000000, -0.0021280500000000 ] - [ -0.0010327000000000, 0.0005948400000000, -0.0004858900000000 ] - [ -0.0010327000000000, -0.0005948400000000, -0.0004858900000000 ] - [ 0.0001420400000000, -0.0005107700000000, 0.0004259500000000 ] - [ -0.0002627300000000, 0.0000595300000000, 0.0000932100000000 ] - [ 0.0001598800000000, 0.0006150600000000, 0.0004893300000000 ] - [ -0.0068921200000000, -0.0034509200000000, 0.0057940200000000 ] - [ 0.0000232900000000, -0.0001792300000000, -0.0001243900000000 ] - [ 0.0000232900000000, 0.0001792300000000, -0.0001243900000000 ] - [ 0.0003102800000000, 0.0000248400000000, -0.0000134100000000 ] - [ 0.0003102800000000, -0.0000248400000000, -0.0000134100000000 ] - [ 0.0010060700000000, 0.0009481100000000, 0.0021949200000000 ] - [ -0.0000603800000000, 0.0000054300000000, 0.0003461300000000 ] - [ -0.0003097900000000, -0.0001223400000000, -0.0000703800000000 ] - [ -0.0003097900000000, 0.0001223400000000, -0.0000703800000000 ] - [ -0.0008645000000000, -0.0009848200000000, 0.0011693300000000 ] - [ -0.0008645000000000, 0.0009848200000000, 0.0011693300000000 ] - [ 0.0000614800000000, -0.0000337600000000, -0.0001941400000000 ] - [ 0.0000543800000000, 0.0000882000000000, -0.0002072100000000 ] - [ -0.0010071500000000, -0.0015023200000000, -0.0006289400000000 ] - [ -0.0010071500000000, 0.0015023200000000, -0.0006289400000000 ] - [ 0.0000043900000000, 0.0000000000000000, -0.0000218000000000 ] - [ -0.0001654200000000, 0.0000000000000000, -0.0000343900000000 ] - [ 0.0002411700000000, 0.0000000000000000, 0.0000368700000000 ] - [ 0.0001927700000000, 0.0000000000000000, -0.0001383500000000 ] - [ -0.0016062400000000, 0.0000000000000000, -0.0007227100000000 ] - [ -0.0000416000000000, 0.0000000000000000, -0.0000265600000000 ] - [ -0.0000603800000000, -0.0000054300000000, 0.0003461300000000 ] - [ 0.0010060700000000, -0.0009481100000000, 0.0021949200000000 ] - [ 0.0000543800000000, -0.0000882000000000, -0.0002072100000000 ] - [ 0.0000614800000000, 0.0000337600000000, -0.0001941400000000 ] - [ -0.0034900000000000, 0.0000000000000000, 0.0028316600000000 ] - [ 0.0004338100000000, 0.0000000000000000, 0.0003218100000000 ] - [ 0.0001081600000000, 0.0002323400000000, 0.0000630400000000 ] - [ 0.0001191200000000, 0.0001280300000000, 0.0001123300000000 ] - [ -0.0004199700000000, 0.0002692500000000, 0.0003364200000000 ] - [ -0.0009199700000000, 0.0018582300000000, 0.0024061200000000 ] - [ -0.0009199700000000, -0.0018582300000000, 0.0024061200000000 ] - [ -0.0004199700000000, -0.0002692500000000, 0.0003364200000000 ] - [ 0.0001191200000000, -0.0001280300000000, 0.0001123300000000 ] - [ 0.0001081600000000, -0.0002323400000000, 0.0000630400000000 ] - [ 0.0022529100000000, -0.0002684900000000, 0.0011343900000000 ] - [ 0.0004365500000000, 0.0002018000000000, 0.0003126600000000 ] - [ -0.0009826500000000, 0.0000000000000000, 0.0012632800000000 ] - [ 0.0001601700000000, 0.0000000000000000, 0.0004582100000000 ] - [ 0.0008467700000000, -0.0023402300000000, -0.0002775100000000 ] - [ 0.0008467700000000, 0.0023402300000000, -0.0002775100000000 ] - [ -0.0000793400000000, 0.0002374300000000, 0.0004890800000000 ] - [ 0.0000312600000000, 0.0000043700000000, 0.0001367900000000 ] - [ 0.0000312600000000, -0.0000043700000000, 0.0001367900000000 ] - [ -0.0000793400000000, -0.0002374300000000, 0.0004890800000000 ] - [ -0.0145412100000000, 0.0091759800000000, 0.0067725200000000 ] - [ 0.0006440400000000, 0.0010070800000000, 0.0000389100000000 ] - [ -0.0001840400000000, -0.0003037500000000, 0.0018526100000000 ] - [ -0.0001840400000000, 0.0003037500000000, 0.0018526100000000 ] - [ 0.0006440400000000, -0.0010070800000000, 0.0000389100000000 ] - [ -0.0145412100000000, -0.0091759800000000, 0.0067725200000000 ] - [ 0.0004365500000000, -0.0002018000000000, 0.0003126600000000 ] - [ 0.0022529100000000, 0.0002684900000000, 0.0011343900000000 ] - [ 0.0000800000000000, 0.0003133900000000, 0.0007368700000000 ] - [ 0.0000800000000000, -0.0003133900000000, 0.0007368700000000 ] - [ -0.0004720200000000, 0.0003842600000000, 0.0001542300000000 ] - [ -0.0006219200000000, -0.0016850900000000, -0.0006358900000000 ] - [ -0.0017091100000000, 0.0000000000000000, -0.0008262500000000 ] - [ 0.0000712200000000, 0.0000000000000000, -0.0000654700000000 ] - [ 0.0059439400000000, 0.0000000000000000, 0.0159422700000000 ] - [ -0.0001681000000000, 0.0000000000000000, 0.0000784900000000 ] - [ -0.0006219200000000, 0.0016850900000000, -0.0006358900000000 ] - [ -0.0004720200000000, -0.0003842600000000, 0.0001542300000000 ] - [ 0.0007277000000000, 0.0005437700000000, 0.0001686600000000 ] - [ 0.0005480500000000, -0.0002982900000000, 0.0001992100000000 ] - [ 0.0002930600000000, 0.0004484300000000, -0.0001060900000000 ] - [ 0.0002930600000000, -0.0004484300000000, -0.0001060900000000 ] - [ 0.0004385400000000, 0.0000000000000000, 0.0001544600000000 ] - [ 0.0000815600000000, 0.0000000000000000, 0.0001219900000000 ] - [ -0.0000192500000000, 0.0003544200000000, -0.0000664700000000 ] - [ 0.0007906800000000, -0.0008919900000000, -0.0007976000000000 ] - [ 0.0007906800000000, 0.0008919900000000, -0.0007976000000000 ] - [ -0.0000192500000000, -0.0003544200000000, -0.0000664700000000 ] - [ 0.0002001300000000, -0.0000264000000000, -0.0000443500000000 ] - [ 0.0002174800000000, -0.0001674200000000, -0.0000942000000000 ] - [ 0.0001885500000000, 0.0000000000000000, -0.0003915300000000 ] - [ 0.0001278800000000, 0.0000000000000000, -0.0002014100000000 ] - [ 0.0002174800000000, 0.0001674200000000, -0.0000942000000000 ] - [ 0.0002001300000000, 0.0000264000000000, -0.0000443500000000 ] - [ 0.0005480500000000, 0.0002982900000000, 0.0001992100000000 ] - [ 0.0007277000000000, -0.0005437700000000, 0.0001686600000000 ] - [ 0.0006833800000000, 0.0000000000000000, 0.0003200300000000 ] - [ -0.0000286800000000, 0.0000000000000000, 0.0000303100000000 ] - [ -0.0004572500000000, -0.0001186800000000, -0.0006358300000000 ] - [ -0.0002689700000000, -0.0001993600000000, -0.0003178000000000 ] - [ 0.0001177400000000, -0.0000149000000000, -0.0003579700000000 ] - [ 0.0001177400000000, 0.0000149000000000, -0.0003579700000000 ] - [ -0.0000249100000000, 0.0000655100000000, -0.0002687100000000 ] - [ -0.0000249100000000, -0.0000655100000000, -0.0002687100000000 ] - [ -0.0002689700000000, 0.0001993600000000, -0.0003178000000000 ] - [ -0.0004572500000000, 0.0001186800000000, -0.0006358300000000 ]- atom: 13 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ 0.0003208600000000, -0.0001529400000000, 0.0007259200000000 ] - [ -0.0009650900000000, -0.0035909800000000, 0.0066165400000000 ] - [ -0.0009650900000000, 0.0035909800000000, 0.0066165400000000 ] - [ 0.0003208600000000, 0.0001529400000000, 0.0007259200000000 ] - [ 0.0008206200000000, 0.0001843200000000, -0.0002393500000000 ] - [ 0.0002288500000000, -0.0002409100000000, -0.0002495800000000 ] - [ 0.0002288500000000, 0.0002409100000000, -0.0002495800000000 ] - [ 0.0008206200000000, -0.0001843200000000, -0.0002393500000000 ] - [ -0.0015796500000000, 0.0000000000000000, -0.0107923400000000 ] - [ 0.0003661900000000, 0.0000000000000000, 0.0000426300000000 ] - [ -0.0002406600000000, 0.0000889800000000, -0.0000820800000000 ] - [ -0.0006461500000000, -0.0004843200000000, -0.0004297000000000 ] - [ -0.0305496900000000, 0.0000000000000000, 0.0509031900000000 ] - [ -0.0008150800000000, 0.0000000000000000, 0.0002993500000000 ] - [ -0.0007250300000000, 0.0000000000000000, 0.0004882200000000 ] - [ -0.0002031300000000, 0.0000000000000000, 0.0003160100000000 ] - [ 0.0073692300000000, -0.0033827700000000, -0.0057975500000000 ] - [ 0.0003428400000000, 0.0006391800000000, -0.0004950800000000 ] - [ 0.0012094700000000, 0.0000000000000000, 0.0007788000000000 ] - [ 0.0005040400000000, 0.0000000000000000, 0.0002847400000000 ] - [ -0.0012084800000000, 0.0020627400000000, -0.0003497700000000 ] - [ -0.0012084800000000, -0.0020627400000000, -0.0003497700000000 ] - [ -0.0017789000000000, -0.0054566700000000, 0.0018511100000000 ] - [ -0.0017789000000000, 0.0054566700000000, 0.0018511100000000 ] - [ 0.0006202200000000, -0.0005938800000000, 0.0004633100000000 ] - [ 0.0006202200000000, 0.0005938800000000, 0.0004633100000000 ] - [ -0.0006461500000000, 0.0004843200000000, -0.0004297000000000 ] - [ -0.0002406600000000, -0.0000889800000000, -0.0000820800000000 ] - [ 0.0003428400000000, -0.0006391800000000, -0.0004950800000000 ] - [ 0.0073692300000000, 0.0033827700000000, -0.0057975500000000 ] - [ 0.0002732100000000, 0.0001846600000000, 0.0003772500000000 ] - [ 0.0002732100000000, -0.0001846600000000, 0.0003772500000000 ] - [ 0.0000956600000000, -0.0000246600000000, 0.0000353100000000 ] - [ 0.0000956600000000, 0.0000246600000000, 0.0000353100000000 ] - [ -0.0014954000000000, -0.0009151500000000, -0.0022007700000000 ] - [ -0.0004413400000000, 0.0000262600000000, -0.0003361100000000 ] - [ 0.0000128300000000, 0.0001220300000000, -0.0001808200000000 ] - [ 0.0000128300000000, -0.0001220300000000, -0.0001808200000000 ] - [ 0.0002011400000000, 0.0009935200000000, -0.0008890700000000 ] - [ 0.0002011400000000, -0.0009935200000000, -0.0008890700000000 ] - [ 0.0004427200000000, 0.0000635900000000, 0.0001847500000000 ] - [ 0.0004527300000000, -0.0000636400000000, 0.0002034300000000 ] - [ 0.0012989200000000, 0.0015155300000000, 0.0007486300000000 ] - [ 0.0012989200000000, -0.0015155300000000, 0.0007486300000000 ] - [ -0.0002784800000000, 0.0000000000000000, -0.0000995200000000 ] - [ -0.0001168000000000, 0.0000000000000000, -0.0000827700000000 ] - [ 0.0004353500000000, 0.0000000000000000, -0.0003165500000000 ] - [ 0.0004780900000000, 0.0000000000000000, -0.0001451900000000 ] - [ 0.0011932000000000, 0.0000000000000000, 0.0007156900000000 ] - [ -0.0003655500000000, 0.0000000000000000, 0.0000020300000000 ] - [ -0.0004413400000000, -0.0000262600000000, -0.0003361100000000 ] - [ -0.0014954000000000, 0.0009151500000000, -0.0022007700000000 ] - [ 0.0004527300000000, 0.0000636400000000, 0.0002034300000000 ] - [ 0.0004427200000000, -0.0000635900000000, 0.0001847500000000 ] - [ 0.0038334400000000, 0.0000000000000000, -0.0026054900000000 ] - [ -0.0001341900000000, 0.0000000000000000, -0.0000689600000000 ] - [ -0.0001087500000000, 0.0000411100000000, -0.0000633800000000 ] - [ -0.0001197700000000, 0.0001450600000000, -0.0001133600000000 ] - [ 0.0004217900000000, -0.0005454100000000, -0.0003378000000000 ] - [ 0.0009624500000000, -0.0022199800000000, -0.0024476100000000 ] - [ 0.0009624500000000, 0.0022199800000000, -0.0024476100000000 ] - [ 0.0004217900000000, 0.0005454100000000, -0.0003378000000000 ] - [ -0.0001197700000000, -0.0001450600000000, -0.0001133600000000 ] - [ -0.0001087500000000, -0.0000411100000000, -0.0000633800000000 ] - [ -0.0020075600000000, -0.0000324700000000, -0.0009974700000000 ] - [ -0.0001840700000000, -0.0005007300000000, -0.0001838900000000 ] - [ 0.0009560000000000, 0.0000000000000000, -0.0009202300000000 ] - [ -0.0001748800000000, 0.0000000000000000, -0.0001161800000000 ] - [ -0.0008728800000000, 0.0023504400000000, 0.0004434500000000 ] - [ -0.0008728800000000, -0.0023504400000000, 0.0004434500000000 ] - [ -0.0000884100000000, -0.0001156000000000, -0.0004233500000000 ] - [ -0.0001956400000000, 0.0001154900000000, -0.0000648600000000 ] - [ -0.0001956400000000, -0.0001154900000000, -0.0000648600000000 ] - [ -0.0000884100000000, 0.0001156000000000, -0.0004233500000000 ] - [ 0.0143266900000000, -0.0087836000000000, -0.0068059700000000 ] - [ -0.0004788500000000, -0.0011256800000000, -0.0001105900000000 ] - [ 0.0002048500000000, 0.0003079900000000, -0.0022018200000000 ] - [ 0.0002048500000000, -0.0003079900000000, -0.0022018200000000 ] - [ -0.0004788500000000, 0.0011256800000000, -0.0001105900000000 ] - [ 0.0143266900000000, 0.0087836000000000, -0.0068059700000000 ] - [ -0.0001840700000000, 0.0005007300000000, -0.0001838900000000 ] - [ -0.0020075600000000, 0.0000324700000000, -0.0009974700000000 ] - [ 0.0001779500000000, -0.0003106700000000, -0.0003078700000000 ] - [ 0.0001779500000000, 0.0003106700000000, -0.0003078700000000 ] - [ 0.0002238600000000, -0.0006876000000000, -0.0002835900000000 ] - [ 0.0003767400000000, 0.0013828900000000, 0.0004984500000000 ] - [ 0.0017345100000000, 0.0000000000000000, 0.0006636600000000 ] - [ -0.0000532200000000, 0.0000000000000000, -0.0000863800000000 ] - [ -0.0064668900000000, 0.0000000000000000, -0.0165255800000000 ] - [ -0.0000920500000000, 0.0000000000000000, -0.0005075000000000 ] - [ 0.0003767400000000, -0.0013828900000000, 0.0004984500000000 ] - [ 0.0002238600000000, 0.0006876000000000, -0.0002835900000000 ] - [ -0.0004813800000000, -0.0008486600000000, -0.0000417000000000 ] - [ -0.0003004200000000, 0.0000008800000000, -0.0000726700000000 ] - [ -0.0003097200000000, -0.0004519100000000, 0.0004483500000000 ] - [ -0.0003097200000000, 0.0004519100000000, 0.0004483500000000 ] - [ -0.0004595100000000, 0.0000000000000000, -0.0000008500000000 ] - [ -0.0001005200000000, 0.0000000000000000, 0.0000304100000000 ] - [ -0.0001490300000000, -0.0002364200000000, 0.0001375500000000 ] - [ -0.0009756700000000, 0.0010281700000000, 0.0008814800000000 ] - [ -0.0009756700000000, -0.0010281700000000, 0.0008814800000000 ] - [ -0.0001490300000000, 0.0002364200000000, 0.0001375500000000 ] - [ -0.0000367800000000, -0.0000936300000000, -0.0000278100000000 ] - [ -0.0000546500000000, 0.0000480800000000, 0.0000225100000000 ] - [ -0.0001782100000000, 0.0000000000000000, 0.0000526100000000 ] - [ -0.0001140500000000, 0.0000000000000000, -0.0001405200000000 ] - [ -0.0000546500000000, -0.0000480800000000, 0.0000225100000000 ] - [ -0.0000367800000000, 0.0000936300000000, -0.0000278100000000 ] - [ -0.0003004200000000, -0.0000008800000000, -0.0000726700000000 ] - [ -0.0004813800000000, 0.0008486600000000, -0.0000417000000000 ] - [ -0.0004322500000000, 0.0000000000000000, 0.0001022600000000 ] - [ 0.0002904400000000, 0.0000000000000000, 0.0003998000000000 ] - [ 0.0002114300000000, -0.0001795600000000, 0.0005207400000000 ] - [ 0.0000161100000000, -0.0001005400000000, 0.0001903400000000 ] - [ -0.0001043600000000, 0.0000259800000000, 0.0002089200000000 ] - [ -0.0001043600000000, -0.0000259800000000, 0.0002089200000000 ] - [ -0.0002385600000000, -0.0000661900000000, -0.0001600800000000 ] - [ -0.0002385600000000, 0.0000661900000000, -0.0001600800000000 ] - [ 0.0000161100000000, 0.0001005400000000, 0.0001903400000000 ] - [ 0.0002114300000000, 0.0001795600000000, 0.0005207400000000 ]- atom: 15 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ -0.0001704000000000, 0.0005231500000000, -0.0000746400000000 ] - [ 0.0058118200000000, -0.0090610400000000, 0.0063973000000000 ] - [ 0.0058118200000000, 0.0090610400000000, 0.0063973000000000 ] - [ -0.0001704000000000, -0.0005231500000000, -0.0000746400000000 ] - [ 0.0011103800000000, -0.0008880700000000, 0.0007170900000000 ] - [ 0.0003993500000000, 0.0003852500000000, 0.0002654400000000 ] - [ 0.0003993500000000, -0.0003852500000000, 0.0002654400000000 ] - [ 0.0011103800000000, 0.0008880700000000, 0.0007170900000000 ] - [ 0.0061429800000000, 0.0000000000000000, 0.0021153600000000 ] - [ 0.0003392400000000, 0.0000000000000000, 0.0001049800000000 ] - [ -0.0005911300000000, 0.0004981400000000, 0.0001686400000000 ] - [ 0.0022236300000000, -0.0107221500000000, -0.0053064400000000 ] - [ 0.0014538200000000, 0.0000000000000000, 0.0011789800000000 ] - [ 0.0002780400000000, 0.0000000000000000, -0.0000470500000000 ] - [ -0.0765519900000000, 0.0000000000000000, -0.0498267700000000 ] - [ -0.0008841900000000, 0.0000000000000000, 0.0000024600000000 ] - [ 0.0009391700000000, 0.0004123800000000, 0.0002873900000000 ] - [ 0.0004566400000000, -0.0001495300000000, 0.0001116700000000 ] - [ -0.0051704700000000, 0.0000000000000000, 0.0007021500000000 ] - [ -0.0001835200000000, 0.0000000000000000, -0.0001933900000000 ] - [ 0.0008107200000000, 0.0012991600000000, 0.0004454900000000 ] - [ 0.0008107200000000, -0.0012991600000000, 0.0004454900000000 ] - [ 0.0010270700000000, 0.0004347700000000, 0.0003140000000000 ] - [ 0.0010270700000000, -0.0004347700000000, 0.0003140000000000 ] - [ -0.0004454400000000, 0.0006324600000000, -0.0003231800000000 ] - [ -0.0004454400000000, -0.0006324600000000, -0.0003231800000000 ] - [ 0.0022236300000000, 0.0107221500000000, -0.0053064400000000 ] - [ -0.0005911300000000, -0.0004981400000000, 0.0001686400000000 ] - [ 0.0004566400000000, 0.0001495300000000, 0.0001116700000000 ] - [ 0.0009391700000000, -0.0004123800000000, 0.0002873900000000 ] - [ -0.0027452600000000, -0.0003007400000000, 0.0009327000000000 ] - [ -0.0027452600000000, 0.0003007400000000, 0.0009327000000000 ] - [ 0.0005116200000000, -0.0010937900000000, 0.0001455500000000 ] - [ 0.0005116200000000, 0.0010937900000000, 0.0001455500000000 ] - [ 0.0008199900000000, -0.0001003000000000, 0.0006990200000000 ] - [ 0.0000761700000000, 0.0001253000000000, 0.0001980300000000 ] - [ 0.0000765500000000, -0.0019950700000000, -0.0006064300000000 ] - [ 0.0000765500000000, 0.0019950700000000, -0.0006064300000000 ] - [ 0.0003968800000000, -0.0000748700000000, 0.0004401500000000 ] - [ 0.0003968800000000, 0.0000748700000000, 0.0004401500000000 ] - [ 0.0002657600000000, -0.0001893700000000, -0.0000957800000000 ] - [ 0.0015998000000000, 0.0020491600000000, 0.0030802100000000 ] - [ 0.0010225600000000, -0.0007625800000000, 0.0005755900000000 ] - [ 0.0010225600000000, 0.0007625800000000, 0.0005755900000000 ] - [ 0.0060969400000000, 0.0000000000000000, 0.0000143500000000 ] - [ -0.0004642600000000, 0.0000000000000000, -0.0002685200000000 ] - [ -0.0004990700000000, 0.0000000000000000, -0.0007227000000000 ] - [ -0.0003899000000000, 0.0000000000000000, -0.0001789300000000 ] - [ 0.0011732400000000, 0.0000000000000000, 0.0008292100000000 ] - [ 0.0000778300000000, 0.0000000000000000, 0.0001736900000000 ] - [ 0.0000761700000000, -0.0001253000000000, 0.0001980300000000 ] - [ 0.0008199900000000, 0.0001003000000000, 0.0006990200000000 ] - [ 0.0015998000000000, -0.0020491600000000, 0.0030802100000000 ] - [ 0.0002657600000000, 0.0001893700000000, -0.0000957800000000 ] - [ 0.0014265600000000, 0.0000000000000000, 0.0007109600000000 ] - [ 0.0006577900000000, 0.0000000000000000, 0.0002421700000000 ] - [ 0.0006250400000000, -0.0000789700000000, -0.0002187800000000 ] - [ -0.0005644200000000, -0.0019808200000000, 0.0026444700000000 ] - [ -0.0005057600000000, -0.0002165100000000, -0.0003004500000000 ] - [ -0.0006557800000000, -0.0000009200000000, -0.0002424800000000 ] - [ -0.0006557800000000, 0.0000009200000000, -0.0002424800000000 ] - [ -0.0005057600000000, 0.0002165100000000, -0.0003004500000000 ] - [ -0.0005644200000000, 0.0019808200000000, 0.0026444700000000 ] - [ 0.0006250400000000, 0.0000789700000000, -0.0002187800000000 ] - [ -0.0001201500000000, -0.0012025400000000, -0.0016625900000000 ] - [ -0.0000008800000000, 0.0002629300000000, -0.0000136900000000 ] - [ 0.0281015400000000, 0.0000000000000000, 0.0324272900000000 ] - [ 0.0002800400000000, 0.0000000000000000, 0.0004616200000000 ] - [ -0.0001929400000000, -0.0005665800000000, 0.0000599100000000 ] - [ -0.0001929400000000, 0.0005665800000000, 0.0000599100000000 ] - [ 0.0153930800000000, 0.0122141700000000, 0.0020628300000000 ] - [ 0.0006426200000000, -0.0002507700000000, -0.0000763500000000 ] - [ 0.0006426200000000, 0.0002507700000000, -0.0000763500000000 ] - [ 0.0153930800000000, -0.0122141700000000, 0.0020628300000000 ] - [ -0.0007086100000000, -0.0003625400000000, -0.0006363900000000 ] - [ -0.0001348700000000, 0.0001349600000000, -0.0000483900000000 ] - [ -0.0006709400000000, -0.0010826400000000, -0.0007562100000000 ] - [ -0.0006709400000000, 0.0010826400000000, -0.0007562100000000 ] - [ -0.0001348700000000, -0.0001349600000000, -0.0000483900000000 ] - [ -0.0007086100000000, 0.0003625400000000, -0.0006363900000000 ] - [ -0.0000008800000000, -0.0002629300000000, -0.0000136900000000 ] - [ -0.0001201500000000, 0.0012025400000000, -0.0016625900000000 ] - [ 0.0009017700000000, -0.0008678800000000, 0.0007322400000000 ] - [ 0.0009017700000000, 0.0008678800000000, 0.0007322400000000 ] - [ 0.0001791800000000, -0.0004717200000000, 0.0001271400000000 ] - [ -0.0014122300000000, 0.0021994100000000, -0.0006410500000000 ] - [ 0.0036254700000000, 0.0000000000000000, 0.0061103400000000 ] - [ 0.0002137400000000, 0.0000000000000000, -0.0003665400000000 ] - [ -0.0021561700000000, 0.0000000000000000, -0.0030131800000000 ] - [ -0.0003318700000000, 0.0000000000000000, -0.0004029000000000 ] - [ -0.0014122300000000, -0.0021994100000000, -0.0006410500000000 ] - [ 0.0001791800000000, 0.0004717200000000, 0.0001271400000000 ] - [ -0.0000201000000000, -0.0001211000000000, 0.0000414100000000 ] - [ -0.0014919800000000, -0.0006540500000000, -0.0013062400000000 ] - [ -0.0005005100000000, 0.0003702900000000, -0.0003811500000000 ] - [ -0.0005005100000000, -0.0003702900000000, -0.0003811500000000 ] - [ -0.0018623900000000, 0.0000000000000000, -0.0015764100000000 ] - [ -0.0000875500000000, 0.0000000000000000, -0.0000325600000000 ] - [ -0.0004515500000000, 0.0001317100000000, -0.0000044900000000 ] - [ -0.0009722300000000, 0.0001390200000000, -0.0000865300000000 ] - [ -0.0009722300000000, -0.0001390200000000, -0.0000865300000000 ] - [ -0.0004515500000000, -0.0001317100000000, -0.0000044900000000 ] - [ -0.0003859300000000, 0.0009404500000000, 0.0001454300000000 ] - [ 0.0009589900000000, -0.0002557700000000, -0.0006087500000000 ] - [ -0.0012372800000000, 0.0000000000000000, 0.0012988500000000 ] - [ 0.0002220300000000, 0.0000000000000000, -0.0000769200000000 ] - [ 0.0009589900000000, 0.0002557700000000, -0.0006087500000000 ] - [ -0.0003859300000000, -0.0009404500000000, 0.0001454300000000 ] - [ -0.0014919800000000, 0.0006540500000000, -0.0013062400000000 ] - [ -0.0000201000000000, 0.0001211000000000, 0.0000414100000000 ] - [ -0.0006328400000000, 0.0000000000000000, -0.0010229800000000 ] - [ -0.0001979600000000, 0.0000000000000000, -0.0000500600000000 ] - [ -0.0020602600000000, 0.0017515200000000, -0.0010137900000000 ] - [ -0.0004270000000000, -0.0006370200000000, -0.0002135100000000 ] - [ -0.0006372600000000, 0.0003939600000000, -0.0002828900000000 ] - [ -0.0006372600000000, -0.0003939600000000, -0.0002828900000000 ] - [ -0.0001030700000000, 0.0005724400000000, 0.0000117700000000 ] - [ -0.0001030700000000, -0.0005724400000000, 0.0000117700000000 ] - [ -0.0004270000000000, 0.0006370200000000, -0.0002135100000000 ] - [ -0.0020602600000000, -0.0017515200000000, -0.0010137900000000 ]- atom: 15 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ 0.0001689900000000, -0.0005323400000000, 0.0000690800000000 ] - [ -0.0058226700000000, 0.0090234300000000, -0.0063401700000000 ] - [ -0.0058226700000000, -0.0090234300000000, -0.0063401700000000 ] - [ 0.0001689900000000, 0.0005323400000000, 0.0000690800000000 ] - [ -0.0011306100000000, 0.0008937200000000, -0.0007100900000000 ] - [ -0.0003993500000000, -0.0003847100000000, -0.0002688200000000 ] - [ -0.0003993500000000, 0.0003847100000000, -0.0002688200000000 ] - [ -0.0011306100000000, -0.0008937200000000, -0.0007100900000000 ] - [ -0.0056785000000000, 0.0000000000000000, -0.0021177700000000 ] - [ 0.0000680800000000, 0.0000000000000000, -0.0000848100000000 ] - [ 0.0000856000000000, -0.0004715200000000, -0.0001528200000000 ] - [ -0.0027422100000000, 0.0106558200000000, 0.0052572000000000 ] - [ -0.0017555300000000, 0.0000000000000000, -0.0014331300000000 ] - [ -0.0005768600000000, 0.0000000000000000, -0.0002077200000000 ] - [ 0.0747675400000000, 0.0000000000000000, 0.0494291700000000 ] - [ 0.0002185800000000, 0.0000000000000000, 0.0002840800000000 ] - [ -0.0004428100000000, -0.0003877500000000, -0.0002903500000000 ] - [ 0.0000470800000000, 0.0001781300000000, -0.0001179600000000 ] - [ 0.0054981000000000, 0.0000000000000000, -0.0006491900000000 ] - [ 0.0004615700000000, 0.0000000000000000, 0.0003082200000000 ] - [ -0.0010889100000000, -0.0012964000000000, -0.0005634700000000 ] - [ -0.0010889100000000, 0.0012964000000000, -0.0005634700000000 ] - [ -0.0003576000000000, -0.0004332500000000, -0.0005966100000000 ] - [ -0.0003576000000000, 0.0004332500000000, -0.0005966100000000 ] - [ 0.0000359200000000, -0.0006377100000000, 0.0002986000000000 ] - [ 0.0000359200000000, 0.0006377100000000, 0.0002986000000000 ] - [ -0.0027422100000000, -0.0106558200000000, 0.0052572000000000 ] - [ 0.0000856000000000, 0.0004715200000000, -0.0001528200000000 ] - [ 0.0000470800000000, -0.0001781300000000, -0.0001179600000000 ] - [ -0.0004428100000000, 0.0003877500000000, -0.0002903500000000 ] - [ 0.0030892300000000, 0.0002742200000000, -0.0006981600000000 ] - [ 0.0030892300000000, -0.0002742200000000, -0.0006981600000000 ] - [ -0.0001024300000000, 0.0011074900000000, -0.0001260600000000 ] - [ -0.0001024300000000, -0.0011074900000000, -0.0001260600000000 ] - [ -0.0013342700000000, 0.0001338000000000, -0.0006983700000000 ] - [ -0.0005789600000000, -0.0000949200000000, -0.0001929700000000 ] - [ -0.0003769200000000, 0.0020064600000000, 0.0003575400000000 ] - [ -0.0003769200000000, -0.0020064600000000, 0.0003575400000000 ] - [ -0.0010725600000000, 0.0000739200000000, -0.0001579300000000 ] - [ -0.0010725600000000, -0.0000739200000000, -0.0001579300000000 ] - [ 0.0002363200000000, 0.0002211900000000, 0.0000884900000000 ] - [ -0.0010785400000000, -0.0020288300000000, -0.0030934100000000 ] - [ -0.0007493800000000, 0.0007697300000000, -0.0004633600000000 ] - [ -0.0007493800000000, -0.0007697300000000, -0.0004633600000000 ] - [ -0.0064735200000000, 0.0000000000000000, -0.0001188200000000 ] - [ 0.0001920700000000, 0.0000000000000000, 0.0001504500000000 ] - [ 0.0011972900000000, 0.0000000000000000, 0.0004810400000000 ] - [ 0.0010687700000000, 0.0000000000000000, -0.0001009400000000 ] - [ -0.0015907100000000, 0.0000000000000000, -0.0008570500000000 ] - [ -0.0004863900000000, 0.0000000000000000, -0.0001989200000000 ] - [ -0.0005789600000000, 0.0000949200000000, -0.0001929700000000 ] - [ -0.0013342700000000, -0.0001338000000000, -0.0006983700000000 ] - [ -0.0010785400000000, 0.0020288300000000, -0.0030934100000000 ] - [ 0.0002363200000000, -0.0002211900000000, 0.0000884900000000 ] - [ -0.0011390100000000, 0.0000000000000000, -0.0004645700000000 ] - [ -0.0003660100000000, 0.0000000000000000, 0.0000111100000000 ] - [ -0.0006308300000000, 0.0003532500000000, 0.0002215000000000 ] - [ 0.0005570400000000, 0.0022687000000000, -0.0026633700000000 ] - [ 0.0005083600000000, -0.0000562100000000, 0.0003011400000000 ] - [ 0.0006590100000000, -0.0002710500000000, 0.0002437500000000 ] - [ 0.0006590100000000, 0.0002710500000000, 0.0002437500000000 ] - [ 0.0005083600000000, 0.0000562100000000, 0.0003011400000000 ] - [ 0.0005570400000000, -0.0022687000000000, -0.0026633700000000 ] - [ -0.0006308300000000, -0.0003532500000000, 0.0002215000000000 ] - [ 0.0003736900000000, 0.0009203600000000, 0.0018080300000000 ] - [ 0.0002546000000000, -0.0005637100000000, 0.0001448900000000 ] - [ -0.0279114200000000, 0.0000000000000000, -0.0311933000000000 ] - [ -0.0002899100000000, 0.0000000000000000, -0.0001198300000000 ] - [ 0.0001788400000000, 0.0005707900000000, 0.0000957800000000 ] - [ 0.0001788400000000, -0.0005707900000000, 0.0000957800000000 ] - [ -0.0155078300000000, -0.0117413900000000, -0.0019884900000000 ] - [ -0.0008077700000000, 0.0003586500000000, 0.0001505300000000 ] - [ -0.0008077700000000, -0.0003586500000000, 0.0001505300000000 ] - [ -0.0155078300000000, 0.0117413900000000, -0.0019884900000000 ] - [ 0.0008804000000000, 0.0002433000000000, 0.0005644400000000 ] - [ 0.0003018400000000, -0.0002549600000000, -0.0000234200000000 ] - [ 0.0006860500000000, 0.0010872800000000, 0.0004179900000000 ] - [ 0.0006860500000000, -0.0010872800000000, 0.0004179900000000 ] - [ 0.0003018400000000, 0.0002549600000000, -0.0000234200000000 ] - [ 0.0008804000000000, -0.0002433000000000, 0.0005644400000000 ] - [ 0.0002546000000000, 0.0005637100000000, 0.0001448900000000 ] - [ 0.0003736900000000, -0.0009203600000000, 0.0018080300000000 ] - [ -0.0006391200000000, 0.0008753600000000, -0.0002886800000000 ] - [ -0.0006391200000000, -0.0008753600000000, -0.0002886800000000 ] - [ -0.0004309000000000, 0.0001746100000000, -0.0002564400000000 ] - [ 0.0011583200000000, -0.0024896400000000, 0.0005129400000000 ] - [ -0.0028807300000000, 0.0000000000000000, -0.0064275100000000 ] - [ -0.0001957000000000, 0.0000000000000000, 0.0002126800000000 ] - [ 0.0018781800000000, 0.0000000000000000, 0.0025698500000000 ] - [ 0.0000700000000000, 0.0000000000000000, -0.0000258600000000 ] - [ 0.0011583200000000, 0.0024896400000000, 0.0005129400000000 ] - [ -0.0004309000000000, -0.0001746100000000, -0.0002564400000000 ] - [ 0.0002730400000000, -0.0001774700000000, 0.0000841200000000 ] - [ 0.0017498100000000, 0.0003596100000000, 0.0014381400000000 ] - [ 0.0004957900000000, -0.0003719800000000, 0.0007260800000000 ] - [ 0.0004957900000000, 0.0003719800000000, 0.0007260800000000 ] - [ 0.0018443200000000, 0.0000000000000000, 0.0017430300000000 ] - [ 0.0000704000000000, 0.0000000000000000, 0.0001853900000000 ] - [ 0.0002896700000000, -0.0000129400000000, 0.0000755600000000 ] - [ 0.0008161000000000, -0.0000201700000000, 0.0001592900000000 ] - [ 0.0008161000000000, 0.0000201700000000, 0.0001592900000000 ] - [ 0.0002896700000000, 0.0000129400000000, 0.0000755600000000 ] - [ 0.0005554900000000, -0.0010691900000000, -0.0002222500000000 ] - [ -0.0008044600000000, 0.0001327900000000, 0.0005411800000000 ] - [ 0.0012479100000000, 0.0000000000000000, -0.0016742500000000 ] - [ -0.0002161900000000, 0.0000000000000000, -0.0002656200000000 ] - [ -0.0008044600000000, -0.0001327900000000, 0.0005411800000000 ] - [ 0.0005554900000000, 0.0010691900000000, -0.0002222500000000 ] - [ 0.0017498100000000, -0.0003596100000000, 0.0014381400000000 ] - [ 0.0002730400000000, 0.0001774700000000, 0.0000841200000000 ] - [ 0.0009027900000000, 0.0000000000000000, 0.0014617900000000 ] - [ 0.0004654300000000, 0.0000000000000000, 0.0004810800000000 ] - [ 0.0018301000000000, -0.0020744300000000, 0.0008927900000000 ] - [ 0.0001751700000000, 0.0003427000000000, 0.0000867100000000 ] - [ 0.0006583000000000, -0.0003999800000000, 0.0001304800000000 ] - [ 0.0006583000000000, 0.0003999800000000, 0.0001304800000000 ] - [ -0.0001619000000000, -0.0005762200000000, -0.0004423300000000 ] - [ -0.0001619000000000, 0.0005762200000000, -0.0004423300000000 ] - [ 0.0001751700000000, -0.0003427000000000, 0.0000867100000000 ] - [ 0.0018301000000000, 0.0020744300000000, 0.0008927900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012998300000000, 0.0026294300000000, 0.0006680400000000 ] - [ -0.0099096000000000, -0.0009914000000000, -0.0107372500000000 ] - [ 0.0099610900000000, -0.0010633700000000, 0.0108047000000000 ] - [ -0.0012892200000000, 0.0026380400000000, -0.0006592300000000 ] - [ -0.0003943200000000, -0.0009172900000000, -0.0006611700000000 ] - [ 0.0003391700000000, 0.0008565700000000, 0.0002387200000000 ] - [ -0.0003277300000000, 0.0008520800000000, -0.0002469400000000 ] - [ 0.0003950500000000, -0.0009029500000000, 0.0006697400000000 ] - [ 0.0001785100000000, -0.0042838200000000, 0.0000099700000000 ] - [ 0.0001893000000000, 0.0014605500000000, 0.0000177100000000 ] - [ 0.0005483200000000, 0.0016443600000000, -0.0005121300000000 ] - [ -0.0140504900000000, -0.0004905300000000, 0.0105891400000000 ] - [ -0.0001678000000000, -0.0012344600000000, -0.0001397600000000 ] - [ -0.0001642800000000, 0.0009217200000000, -0.0001379300000000 ] - [ -0.0009247500000000, -0.0561512800000000, 0.0002483700000000 ] - [ -0.0003248400000000, 0.0035399300000000, 0.0001395600000000 ] - [ 0.0005198500000000, -0.0003509700000000, 0.0002626800000000 ] - [ -0.0000273200000000, 0.0004618000000000, -0.0002132300000000 ] - [ 0.0001589000000000, -0.0049448300000000, 0.0000148200000000 ] - [ 0.0001459200000000, 0.0018350600000000, 0.0000592700000000 ] - [ 0.0007842700000000, 0.0011517100000000, 0.0003426900000000 ] - [ -0.0010726700000000, 0.0011535900000000, -0.0004553400000000 ] - [ 0.0007558000000000, 0.0001585000000000, 0.0002733800000000 ] - [ -0.0001090700000000, 0.0001636700000000, -0.0005511500000000 ] - [ 0.0006093600000000, 0.0004569700000000, 0.0014592600000000 ] - [ -0.0009786700000000, 0.0004633100000000, -0.0014828900000000 ] - [ 0.0136709200000000, -0.0005574100000000, -0.0106649400000000 ] - [ -0.0010494900000000, 0.0015979100000000, 0.0005323100000000 ] - [ 0.0005308700000000, 0.0004102700000000, 0.0001852300000000 ] - [ -0.0000185500000000, -0.0003972600000000, -0.0002955300000000 ] - [ -0.0043062000000000, 0.0136525500000000, 0.0039266800000000 ] - [ 0.0046163700000000, 0.0135131400000000, -0.0036270000000000 ] - [ -0.0007658100000000, 0.0001822200000000, -0.0002665100000000 ] - [ 0.0011336800000000, 0.0001869400000000, 0.0003002600000000 ] - [ -0.0002572800000000, -0.0002222800000000, 0.0000687900000000 ] - [ -0.0002105100000000, 0.0002819300000000, 0.0000174500000000 ] - [ -0.0020314200000000, 0.0015826600000000, -0.0000228500000000 ] - [ 0.0016968600000000, 0.0015919300000000, -0.0002511600000000 ] - [ -0.0002475200000000, 0.0000042300000000, 0.0001482600000000 ] - [ -0.0003969800000000, 0.0000096800000000, 0.0001326200000000 ] - [ -0.0000524200000000, 0.0008206200000000, -0.0004662300000000 ] - [ 0.0021927100000000, -0.0008477400000000, 0.0031438600000000 ] - [ -0.0000042500000000, 0.0003912000000000, -0.0000477800000000 ] - [ 0.0002974100000000, 0.0003960100000000, 0.0001646000000000 ] - [ -0.0001341000000000, -0.0030217700000000, -0.0000601700000000 ] - [ -0.0001515500000000, 0.0012347600000000, -0.0000606100000000 ] - [ 0.0003217400000000, -0.0036895100000000, -0.0001339700000000 ] - [ 0.0003203000000000, 0.0017877300000000, -0.0001393400000000 ] - [ -0.0001818900000000, -0.0015354800000000, -0.0000172300000000 ] - [ -0.0001841600000000, 0.0008092300000000, -0.0000223600000000 ] - [ -0.0002880300000000, 0.0002296100000000, 0.0000130000000000 ] - [ -0.0002410700000000, -0.0002709800000000, -0.0000383300000000 ] - [ -0.0016920200000000, -0.0009079900000000, -0.0031739700000000 ] - [ 0.0005524700000000, 0.0007707400000000, 0.0004355000000000 ] - [ 0.0001675600000000, -0.0006875800000000, 0.0001382000000000 ] - [ 0.0001690000000000, 0.0006766900000000, 0.0001410200000000 ] - [ 0.0008439500000000, -0.0020749700000000, -0.0008567300000000 ] - [ -0.0024546700000000, 0.0011076600000000, 0.0018972200000000 ] - [ -0.0001560200000000, -0.0005744200000000, -0.0001087400000000 ] - [ 0.0001214800000000, 0.0002221400000000, 0.0000825300000000 ] - [ -0.0001237100000000, 0.0005023000000000, -0.0000829500000000 ] - [ 0.0001536200000000, -0.0002974000000000, 0.0001070100000000 ] - [ 0.0024463900000000, 0.0008663400000000, -0.0018842300000000 ] - [ -0.0008365400000000, -0.0023436600000000, 0.0008503200000000 ] - [ 0.0006770900000000, 0.0019543600000000, -0.0001599300000000 ] - [ 0.0001151800000000, -0.0018020700000000, 0.0003064400000000 ] - [ -0.0000678800000000, 0.0105166500000000, 0.0000607000000000 ] - [ -0.0000232800000000, -0.0014032000000000, 0.0001678500000000 ] - [ -0.0008955400000000, 0.0000383300000000, -0.0003037300000000 ] - [ 0.0008759300000000, 0.0000329200000000, 0.0004651900000000 ] - [ 0.0029035800000000, 0.0085799600000000, 0.0058479900000000 ] - [ 0.0011835600000000, -0.0039346800000000, -0.0008316000000000 ] - [ -0.0013768200000000, -0.0040619800000000, 0.0008867800000000 ] - [ -0.0025759900000000, 0.0072998200000000, -0.0057359500000000 ] - [ -0.0009283200000000, 0.0005995400000000, -0.0009543500000000 ] - [ 0.0004643600000000, -0.0006263000000000, 0.0000793100000000 ] - [ -0.0007996000000000, -0.0006503600000000, -0.0006721100000000 ] - [ 0.0008467300000000, -0.0006546600000000, 0.0003345200000000 ] - [ -0.0002928200000000, -0.0005078400000000, -0.0001278700000000 ] - [ 0.0010988800000000, 0.0007119300000000, 0.0009053000000000 ] - [ 0.0001227400000000, -0.0015076200000000, -0.0001572500000000 ] - [ -0.0004290100000000, 0.0022228900000000, 0.0003220400000000 ] - [ -0.0011061900000000, -0.0019691400000000, -0.0029914600000000 ] - [ 0.0013234900000000, -0.0019630700000000, 0.0034129900000000 ] - [ -0.0005452500000000, -0.0011876000000000, -0.0000536800000000 ] - [ 0.0046735600000000, 0.0015906800000000, 0.0011715500000000 ] - [ 0.0000372700000000, 0.0115175900000000, -0.0000872100000000 ] - [ 0.0000054600000000, -0.0025649200000000, -0.0000809600000000 ] - [ -0.0001119900000000, 0.0025906100000000, -0.0002156400000000 ] - [ -0.0001187800000000, -0.0010790400000000, -0.0002187500000000 ] - [ -0.0049391100000000, 0.0018929900000000, -0.0013325900000000 ] - [ 0.0003023100000000, -0.0008928200000000, -0.0000975000000000 ] - [ 0.0004054200000000, -0.0006197200000000, 0.0003534200000000 ] - [ -0.0011738000000000, 0.0003544300000000, -0.0013511700000000 ] - [ -0.0000419600000000, -0.0001000200000000, 0.0002861400000000 ] - [ -0.0000061500000000, -0.0001032600000000, 0.0000490300000000 ] - [ -0.0000145400000000, 0.0020855400000000, 0.0000773400000000 ] - [ -0.0000068100000000, -0.0015928200000000, 0.0000816700000000 ] - [ 0.0000572000000000, -0.0003030200000000, -0.0000053400000000 ] - [ -0.0002342000000000, 0.0004154200000000, 0.0000167200000000 ] - [ 0.0000572500000000, 0.0002996700000000, 0.0000295100000000 ] - [ -0.0002307900000000, -0.0004226600000000, 0.0000533500000000 ] - [ 0.0007763300000000, -0.0015714000000000, -0.0001865100000000 ] - [ -0.0000590000000000, 0.0013128900000000, -0.0006119500000000 ] - [ 0.0000203900000000, 0.0010792200000000, -0.0001668900000000 ] - [ 0.0000258700000000, -0.0006833200000000, -0.0001673700000000 ] - [ 0.0002392200000000, 0.0014340500000000, 0.0005658600000000 ] - [ -0.0006021900000000, -0.0014574700000000, 0.0001403500000000 ] - [ 0.0014080100000000, 0.0006511900000000, 0.0014985000000000 ] - [ -0.0001628000000000, -0.0003261900000000, -0.0001993200000000 ] - [ 0.0001154300000000, 0.0007039900000000, 0.0002168000000000 ] - [ 0.0001159200000000, -0.0004887900000000, 0.0002181300000000 ] - [ -0.0004776500000000, 0.0008407600000000, -0.0000764700000000 ] - [ -0.0000233400000000, -0.0009158300000000, -0.0000227200000000 ] - [ 0.0004572300000000, 0.0000343800000000, 0.0000442100000000 ] - [ -0.0004414300000000, 0.0000297300000000, -0.0002069300000000 ] - [ 0.0006570400000000, -0.0001803000000000, 0.0001925000000000 ] - [ -0.0008858700000000, -0.0001832500000000, -0.0006273600000000 ] - [ -0.0002177500000000, -0.0006169300000000, -0.0001293100000000 ] - [ 0.0002276800000000, 0.0011242800000000, -0.0000775700000000 ]- atom: 15 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ 0.0000423300000000, 0.0000784000000000, -0.0002730200000000 ] - [ 0.0063475300000000, -0.0064120600000000, -0.0033666800000000 ] - [ 0.0063475300000000, 0.0064120600000000, -0.0033666800000000 ] - [ 0.0000423300000000, -0.0000784000000000, -0.0002730200000000 ] - [ -0.0004163500000000, -0.0001241800000000, 0.0003835100000000 ] - [ -0.0001910500000000, -0.0000717800000000, -0.0000852400000000 ] - [ -0.0001910500000000, 0.0000717800000000, -0.0000852400000000 ] - [ -0.0004163500000000, 0.0001241800000000, 0.0003835100000000 ] - [ -0.0050513400000000, 0.0000000000000000, -0.0039735100000000 ] - [ 0.0000338600000000, 0.0000000000000000, -0.0000971400000000 ] - [ -0.0001750500000000, -0.0003833500000000, -0.0001918400000000 ] - [ -0.0066036600000000, 0.0119383700000000, 0.0057545200000000 ] - [ -0.0000057500000000, 0.0000000000000000, -0.0006051600000000 ] - [ -0.0001296300000000, 0.0000000000000000, -0.0002166400000000 ] - [ -0.0083804200000000, 0.0000000000000000, -0.0668761200000000 ] - [ -0.0001945900000000, 0.0000000000000000, 0.0000700900000000 ] - [ 0.0009945300000000, 0.0001360700000000, 0.0010625800000000 ] - [ 0.0001853400000000, -0.0000777800000000, 0.0000729100000000 ] - [ -0.0016548200000000, 0.0000000000000000, 0.0153759800000000 ] - [ 0.0000049700000000, 0.0000000000000000, 0.0000625500000000 ] - [ -0.0007465600000000, -0.0010387500000000, -0.0007095200000000 ] - [ -0.0007465600000000, 0.0010387500000000, -0.0007095200000000 ] - [ 0.0004067800000000, 0.0001571300000000, -0.0002391300000000 ] - [ 0.0004067800000000, -0.0001571300000000, -0.0002391300000000 ] - [ -0.0003390000000000, 0.0013750300000000, 0.0003769400000000 ] - [ -0.0003390000000000, -0.0013750300000000, 0.0003769400000000 ] - [ -0.0066036600000000, -0.0119383700000000, 0.0057545200000000 ] - [ -0.0001750500000000, 0.0003833500000000, -0.0001918400000000 ] - [ 0.0001853400000000, 0.0000777800000000, 0.0000729100000000 ] - [ 0.0009945300000000, -0.0001360700000000, 0.0010625800000000 ] - [ 0.0023419300000000, 0.0002233500000000, -0.0018360800000000 ] - [ 0.0023419300000000, -0.0002233500000000, -0.0018360800000000 ] - [ 0.0000554100000000, 0.0005123800000000, -0.0002612600000000 ] - [ 0.0000554100000000, -0.0005123800000000, -0.0002612600000000 ] - [ -0.0004692300000000, 0.0000487600000000, -0.0001612000000000 ] - [ -0.0002809800000000, -0.0000199400000000, -0.0000349300000000 ] - [ -0.0012390600000000, 0.0011828400000000, 0.0006025400000000 ] - [ -0.0012390600000000, -0.0011828400000000, 0.0006025400000000 ] - [ -0.0004224000000000, 0.0000280000000000, 0.0002137900000000 ] - [ -0.0004224000000000, -0.0000280000000000, 0.0002137900000000 ] - [ 0.0001541500000000, -0.0000394100000000, 0.0002010400000000 ] - [ 0.0010814200000000, 0.0006209100000000, 0.0007724100000000 ] - [ 0.0000965300000000, -0.0001759200000000, 0.0000482300000000 ] - [ 0.0000965300000000, 0.0001759200000000, 0.0000482300000000 ] - [ -0.0035504900000000, 0.0000000000000000, -0.0009970200000000 ] - [ -0.0000069900000000, 0.0000000000000000, -0.0000062200000000 ] - [ 0.0001924500000000, 0.0000000000000000, 0.0021191900000000 ] - [ 0.0006504600000000, 0.0000000000000000, -0.0000913600000000 ] - [ -0.0000988800000000, 0.0000000000000000, -0.0001068800000000 ] - [ -0.0002473500000000, 0.0000000000000000, -0.0000315100000000 ] - [ -0.0002809800000000, 0.0000199400000000, -0.0000349300000000 ] - [ -0.0004692300000000, -0.0000487600000000, -0.0001612000000000 ] - [ 0.0010814200000000, -0.0006209100000000, 0.0007724100000000 ] - [ 0.0001541500000000, 0.0000394100000000, 0.0002010400000000 ] - [ -0.0001465100000000, 0.0000000000000000, 0.0001943900000000 ] - [ 0.0000397100000000, 0.0000000000000000, 0.0001486700000000 ] - [ -0.0002368300000000, 0.0003828800000000, 0.0002100300000000 ] - [ 0.0015720400000000, 0.0014981400000000, 0.0002030900000000 ] - [ 0.0000891300000000, -0.0000354100000000, 0.0001349800000000 ] - [ 0.0001212900000000, -0.0001520000000000, 0.0001733600000000 ] - [ 0.0001212900000000, 0.0001520000000000, 0.0001733600000000 ] - [ 0.0000891300000000, 0.0000354100000000, 0.0001349800000000 ] - [ 0.0015720400000000, -0.0014981400000000, 0.0002030900000000 ] - [ -0.0002368300000000, -0.0003828800000000, 0.0002100300000000 ] - [ -0.0012170100000000, -0.0024985600000000, -0.0019286900000000 ] - [ 0.0001376900000000, -0.0000128400000000, 0.0001150900000000 ] - [ 0.0168674200000000, 0.0000000000000000, 0.0391541800000000 ] - [ 0.0000250800000000, 0.0000000000000000, 0.0002034000000000 ] - [ -0.0001740700000000, -0.0003695900000000, -0.0000490700000000 ] - [ -0.0001740700000000, 0.0003695900000000, -0.0000490700000000 ] - [ -0.0048482700000000, -0.0022645100000000, 0.0047322400000000 ] - [ -0.0004992000000000, 0.0002779300000000, 0.0002394200000000 ] - [ -0.0004992000000000, -0.0002779300000000, 0.0002394200000000 ] - [ -0.0048482700000000, 0.0022645100000000, 0.0047322400000000 ] - [ -0.0003439200000000, -0.0000314800000000, -0.0002750000000000 ] - [ 0.0001144500000000, 0.0000304700000000, -0.0000282200000000 ] - [ -0.0006740300000000, -0.0006721300000000, 0.0003442400000000 ] - [ -0.0006740300000000, 0.0006721300000000, 0.0003442400000000 ] - [ 0.0001144500000000, -0.0000304700000000, -0.0000282200000000 ] - [ -0.0003439200000000, 0.0000314800000000, -0.0002750000000000 ] - [ 0.0001376900000000, 0.0000128400000000, 0.0001150900000000 ] - [ -0.0012170100000000, 0.0024985600000000, -0.0019286900000000 ] - [ 0.0003161300000000, -0.0006209800000000, 0.0009191100000000 ] - [ 0.0003161300000000, 0.0006209800000000, 0.0009191100000000 ] - [ -0.0001911000000000, 0.0000318100000000, 0.0000164100000000 ] - [ 0.0014405500000000, -0.0019041700000000, 0.0021638700000000 ] - [ 0.0068399300000000, 0.0000000000000000, -0.0021843100000000 ] - [ 0.0000006200000000, 0.0000000000000000, 0.0002325200000000 ] - [ -0.0024330900000000, 0.0000000000000000, 0.0024543700000000 ] - [ -0.0001344200000000, 0.0000000000000000, -0.0000572400000000 ] - [ 0.0014405500000000, 0.0019041700000000, 0.0021638700000000 ] - [ -0.0001911000000000, -0.0000318100000000, 0.0000164100000000 ] - [ 0.0002527300000000, -0.0000643200000000, 0.0000601300000000 ] - [ -0.0000822900000000, -0.0001043600000000, -0.0002941100000000 ] - [ 0.0000685800000000, 0.0000469500000000, 0.0001010400000000 ] - [ 0.0000685800000000, -0.0000469500000000, 0.0001010400000000 ] - [ 0.0005821000000000, 0.0000000000000000, 0.0003529400000000 ] - [ 0.0000526000000000, 0.0000000000000000, -0.0000269500000000 ] - [ -0.0000229700000000, 0.0000264100000000, 0.0000433200000000 ] - [ 0.0000808100000000, -0.0000339600000000, -0.0000908200000000 ] - [ 0.0000808100000000, 0.0000339600000000, -0.0000908200000000 ] - [ -0.0000229700000000, -0.0000264100000000, 0.0000433200000000 ] - [ 0.0006394700000000, -0.0008164500000000, -0.0002210900000000 ] - [ 0.0002124700000000, -0.0005276200000000, -0.0005466600000000 ] - [ -0.0000542700000000, 0.0000000000000000, -0.0014222300000000 ] - [ -0.0000824600000000, 0.0000000000000000, -0.0001698100000000 ] - [ 0.0002124700000000, 0.0005276200000000, -0.0005466600000000 ] - [ 0.0006394700000000, 0.0008164500000000, -0.0002210900000000 ] - [ -0.0000822900000000, 0.0001043600000000, -0.0002941100000000 ] - [ 0.0002527300000000, 0.0000643200000000, 0.0000601300000000 ] - [ 0.0001785100000000, 0.0000000000000000, 0.0002245000000000 ] - [ 0.0002153000000000, 0.0000000000000000, 0.0002221100000000 ] - [ 0.0005776500000000, -0.0007259400000000, 0.0000676900000000 ] - [ -0.0000999600000000, -0.0000107900000000, -0.0000550900000000 ] - [ 0.0001754200000000, -0.0000942400000000, -0.0000369100000000 ] - [ 0.0001754200000000, 0.0000942400000000, -0.0000369100000000 ] - [ 0.0000126300000000, -0.0002307600000000, -0.0003043100000000 ] - [ 0.0000126300000000, 0.0002307600000000, -0.0003043100000000 ] - [ -0.0000999600000000, 0.0000107900000000, -0.0000550900000000 ] - [ 0.0005776500000000, 0.0007259400000000, 0.0000676900000000 ]- atom: 15 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ -0.0000425000000000, -0.0000871500000000, 0.0002699600000000 ] - [ -0.0063772100000000, 0.0064301900000000, 0.0033333600000000 ] - [ -0.0063772100000000, -0.0064301900000000, 0.0033333600000000 ] - [ -0.0000425000000000, 0.0000871500000000, 0.0002699600000000 ] - [ 0.0003971200000000, 0.0001255300000000, -0.0003759200000000 ] - [ 0.0001954100000000, 0.0000743700000000, 0.0000821200000000 ] - [ 0.0001954100000000, -0.0000743700000000, 0.0000821200000000 ] - [ 0.0003971200000000, -0.0001255300000000, -0.0003759200000000 ] - [ 0.0055014300000000, 0.0000000000000000, 0.0040041700000000 ] - [ 0.0003757600000000, 0.0000000000000000, 0.0001150700000000 ] - [ -0.0003298800000000, 0.0004135800000000, 0.0002018700000000 ] - [ 0.0061550400000000, -0.0120475800000000, -0.0057788300000000 ] - [ -0.0002868300000000, 0.0000000000000000, 0.0003517100000000 ] - [ -0.0001617500000000, 0.0000000000000000, -0.0000361200000000 ] - [ 0.0064245900000000, 0.0000000000000000, 0.0661163300000000 ] - [ -0.0004772700000000, 0.0000000000000000, 0.0002107800000000 ] - [ -0.0004902900000000, -0.0001034600000000, -0.0010595700000000 ] - [ 0.0003179300000000, 0.0001081000000000, -0.0000750000000000 ] - [ 0.0019819300000000, 0.0000000000000000, -0.0151223100000000 ] - [ 0.0002676500000000, 0.0000000000000000, 0.0000535200000000 ] - [ 0.0004740900000000, 0.0010466300000000, 0.0005931100000000 ] - [ 0.0004740900000000, -0.0010466300000000, 0.0005931100000000 ] - [ 0.0002676800000000, -0.0001548200000000, -0.0000402900000000 ] - [ 0.0002676800000000, 0.0001548200000000, -0.0000402900000000 ] - [ -0.0000680200000000, -0.0013694700000000, -0.0003995600000000 ] - [ -0.0000680200000000, 0.0013694700000000, -0.0003995600000000 ] - [ 0.0061550400000000, 0.0120475800000000, -0.0057788300000000 ] - [ -0.0003298800000000, -0.0004135800000000, 0.0002018700000000 ] - [ 0.0003179300000000, -0.0001081000000000, -0.0000750000000000 ] - [ -0.0004902900000000, 0.0001034600000000, -0.0010595700000000 ] - [ -0.0020215700000000, -0.0002447800000000, 0.0020655800000000 ] - [ -0.0020215700000000, 0.0002447800000000, 0.0020655800000000 ] - [ 0.0003525800000000, -0.0005077600000000, 0.0002771800000000 ] - [ 0.0003525800000000, 0.0005077600000000, 0.0002771800000000 ] - [ -0.0000350800000000, -0.0000162000000000, 0.0001638600000000 ] - [ -0.0002202200000000, 0.0000512100000000, 0.0000378600000000 ] - [ 0.0009383900000000, -0.0011745900000000, -0.0008529700000000 ] - [ 0.0009383900000000, 0.0011745900000000, -0.0008529700000000 ] - [ -0.0002473300000000, -0.0000294500000000, 0.0000690000000000 ] - [ -0.0002473300000000, 0.0000294500000000, 0.0000690000000000 ] - [ 0.0003453200000000, 0.0000726700000000, -0.0002027900000000 ] - [ -0.0005760800000000, -0.0005886000000000, -0.0007552100000000 ] - [ 0.0001823200000000, 0.0001755800000000, 0.0000681900000000 ] - [ 0.0001823200000000, -0.0001755800000000, 0.0000681900000000 ] - [ 0.0032617100000000, 0.0000000000000000, 0.0008584000000000 ] - [ -0.0002674200000000, 0.0000000000000000, -0.0001130500000000 ] - [ 0.0004610500000000, 0.0000000000000000, -0.0024016500000000 ] - [ 0.0000235000000000, 0.0000000000000000, -0.0001890900000000 ] - [ -0.0003063900000000, 0.0000000000000000, 0.0000864400000000 ] - [ -0.0001591400000000, 0.0000000000000000, 0.0000102900000000 ] - [ -0.0002202200000000, -0.0000512100000000, 0.0000378600000000 ] - [ -0.0000350800000000, 0.0000162000000000, 0.0001638600000000 ] - [ -0.0005760800000000, 0.0005886000000000, -0.0007552100000000 ] - [ 0.0003453200000000, -0.0000726700000000, -0.0002027900000000 ] - [ 0.0004427100000000, 0.0000000000000000, 0.0000577700000000 ] - [ 0.0002552800000000, 0.0000000000000000, 0.0001044000000000 ] - [ 0.0002338200000000, -0.0001081500000000, -0.0002068300000000 ] - [ -0.0016044800000000, -0.0012528200000000, -0.0001435800000000 ] - [ -0.0000899700000000, -0.0002363600000000, -0.0001355200000000 ] - [ -0.0001216100000000, -0.0001196600000000, -0.0001738800000000 ] - [ -0.0001216100000000, 0.0001196600000000, -0.0001738800000000 ] - [ -0.0000899700000000, 0.0002363600000000, -0.0001355200000000 ] - [ -0.0016044800000000, 0.0012528200000000, -0.0001435800000000 ] - [ 0.0002338200000000, 0.0001081500000000, -0.0002068300000000 ] - [ 0.0014522000000000, 0.0021953700000000, 0.0020680700000000 ] - [ 0.0001110600000000, -0.0002844900000000, 0.0000197300000000 ] - [ -0.0160094300000000, 0.0000000000000000, -0.0377959200000000 ] - [ -0.0000360500000000, 0.0000000000000000, 0.0001392100000000 ] - [ 0.0001551600000000, 0.0003686700000000, 0.0002069400000000 ] - [ 0.0001551600000000, -0.0003686700000000, 0.0002069400000000 ] - [ 0.0046593400000000, 0.0024036500000000, -0.0046305300000000 ] - [ 0.0003319900000000, -0.0001621400000000, -0.0001699000000000 ] - [ 0.0003319900000000, 0.0001621400000000, -0.0001699000000000 ] - [ 0.0046593400000000, -0.0024036500000000, -0.0046305300000000 ] - [ 0.0005127100000000, -0.0000882700000000, 0.0002111300000000 ] - [ 0.0000534700000000, -0.0001506100000000, -0.0000398100000000 ] - [ 0.0006890400000000, 0.0006736800000000, -0.0006878900000000 ] - [ 0.0006890400000000, -0.0006736800000000, -0.0006878900000000 ] - [ 0.0000534700000000, 0.0001506100000000, -0.0000398100000000 ] - [ 0.0005127100000000, 0.0000882700000000, 0.0002111300000000 ] - [ 0.0001110600000000, 0.0002844900000000, 0.0000197300000000 ] - [ 0.0014522000000000, -0.0021953700000000, 0.0020680700000000 ] - [ -0.0000563600000000, 0.0006236700000000, -0.0004776000000000 ] - [ -0.0000563600000000, -0.0006236700000000, -0.0004776000000000 ] - [ -0.0000578800000000, -0.0003295300000000, -0.0001492900000000 ] - [ -0.0016941400000000, 0.0016161400000000, -0.0023100500000000 ] - [ -0.0064248600000000, 0.0000000000000000, 0.0018592300000000 ] - [ 0.0000177600000000, 0.0000000000000000, -0.0003906600000000 ] - [ 0.0021706000000000, 0.0000000000000000, -0.0028981100000000 ] - [ -0.0001264400000000, 0.0000000000000000, -0.0003738500000000 ] - [ -0.0016941400000000, -0.0016161400000000, -0.0023100500000000 ] - [ -0.0000578800000000, 0.0003295300000000, -0.0001492900000000 ] - [ -0.0000031200000000, -0.0002332200000000, 0.0000706800000000 ] - [ 0.0003257700000000, -0.0001944700000000, 0.0004188300000000 ] - [ -0.0000801700000000, -0.0000466400000000, 0.0002398500000000 ] - [ -0.0000801700000000, 0.0000466400000000, 0.0002398500000000 ] - [ -0.0006106700000000, 0.0000000000000000, -0.0002057500000000 ] - [ -0.0000714700000000, 0.0000000000000000, 0.0001824300000000 ] - [ -0.0001449300000000, 0.0000933500000000, 0.0000243900000000 ] - [ -0.0002486300000000, 0.0001541500000000, 0.0001601700000000 ] - [ -0.0002486300000000, -0.0001541500000000, 0.0001601700000000 ] - [ -0.0001449300000000, -0.0000933500000000, 0.0000243900000000 ] - [ -0.0004679700000000, 0.0006918400000000, 0.0001502400000000 ] - [ -0.0000349200000000, 0.0004145700000000, 0.0004740400000000 ] - [ 0.0000707700000000, 0.0000000000000000, 0.0010957600000000 ] - [ 0.0000928300000000, 0.0000000000000000, -0.0001719200000000 ] - [ -0.0000349200000000, -0.0004145700000000, 0.0004740400000000 ] - [ -0.0004679700000000, -0.0006918400000000, 0.0001502400000000 ] - [ 0.0003257700000000, 0.0001944700000000, 0.0004188300000000 ] - [ -0.0000031200000000, 0.0002332200000000, 0.0000706800000000 ] - [ 0.0000841100000000, 0.0000000000000000, 0.0002022000000000 ] - [ 0.0000466000000000, 0.0000000000000000, 0.0002078900000000 ] - [ -0.0008277600000000, 0.0004291100000000, -0.0001997600000000 ] - [ -0.0001501900000000, -0.0002859500000000, -0.0000769300000000 ] - [ -0.0001586200000000, 0.0000946200000000, -0.0001203700000000 ] - [ -0.0001586200000000, -0.0000946200000000, -0.0001203700000000 ] - [ -0.0002717800000000, 0.0002290200000000, -0.0001226400000000 ] - [ -0.0002717800000000, -0.0002290200000000, -0.0001226400000000 ] - [ -0.0001501900000000, 0.0002859500000000, -0.0000769300000000 ] - [ -0.0008277600000000, -0.0004291100000000, -0.0001997600000000 ]- atom: 19 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ -0.0002766600000000, 0.0006070800000000, -0.0009752300000000 ] - [ 0.0075310900000000, -0.0081976500000000, -0.0080194300000000 ] - [ 0.0075310900000000, 0.0081976500000000, -0.0080194300000000 ] - [ -0.0002766600000000, -0.0006070800000000, -0.0009752300000000 ] - [ 0.0020611200000000, -0.0005811400000000, 0.0005919700000000 ] - [ 0.0008438400000000, 0.0003422000000000, 0.0003975600000000 ] - [ 0.0008438400000000, -0.0003422000000000, 0.0003975600000000 ] - [ 0.0020611200000000, 0.0005811400000000, 0.0005919700000000 ] - [ -0.0012340900000000, 0.0000000000000000, -0.0016880100000000 ] - [ -0.0001289600000000, 0.0000000000000000, -0.0001119000000000 ] - [ -0.0008104600000000, 0.0000706000000000, 0.0000559500000000 ] - [ -0.0000334200000000, 0.0013862000000000, -0.0037424000000000 ] - [ 0.0018499300000000, 0.0000000000000000, -0.0002706300000000 ] - [ 0.0003348200000000, 0.0000000000000000, -0.0002748300000000 ] - [ -0.0056294600000000, 0.0000000000000000, -0.0047339600000000 ] - [ -0.0006549800000000, 0.0000000000000000, -0.0001837300000000 ] - [ 0.0063382000000000, 0.0034447900000000, 0.0037742100000000 ] - [ 0.0004497500000000, -0.0007382600000000, 0.0004201300000000 ] - [ -0.1024948200000000, 0.0000000000000000, 0.0252332200000000 ] - [ -0.0008089100000000, 0.0000000000000000, -0.0005343100000000 ] - [ -0.0002619500000000, 0.0000778300000000, -0.0002028000000000 ] - [ -0.0002619500000000, -0.0000778300000000, -0.0002028000000000 ] - [ 0.0012847900000000, 0.0009320900000000, -0.0003211500000000 ] - [ 0.0012847900000000, -0.0009320900000000, -0.0003211500000000 ] - [ -0.0018201400000000, 0.0055342300000000, -0.0009805900000000 ] - [ -0.0018201400000000, -0.0055342300000000, -0.0009805900000000 ] - [ -0.0000334200000000, -0.0013862000000000, -0.0037424000000000 ] - [ -0.0008104600000000, -0.0000706000000000, 0.0000559500000000 ] - [ 0.0004497500000000, 0.0007382600000000, 0.0004201300000000 ] - [ 0.0063382000000000, -0.0034447900000000, 0.0037742100000000 ] - [ -0.0027548700000000, -0.0019470100000000, -0.0002385600000000 ] - [ -0.0027548700000000, 0.0019470100000000, -0.0002385600000000 ] - [ 0.0010037700000000, -0.0010242600000000, 0.0006918200000000 ] - [ 0.0010037700000000, 0.0010242600000000, 0.0006918200000000 ] - [ 0.0008865800000000, 0.0000117400000000, 0.0006610500000000 ] - [ 0.0002299600000000, 0.0001056900000000, 0.0002855400000000 ] - [ 0.0010877200000000, -0.0027479500000000, -0.0007695000000000 ] - [ 0.0010877200000000, 0.0027479500000000, -0.0007695000000000 ] - [ 0.0005467000000000, 0.0001486500000000, 0.0005707700000000 ] - [ 0.0005467000000000, -0.0001486500000000, 0.0005707700000000 ] - [ 0.0005235700000000, -0.0001144100000000, -0.0000622300000000 ] - [ 0.0006872100000000, 0.0000899000000000, -0.0003685200000000 ] - [ 0.0007305300000000, -0.0001162700000000, 0.0004549300000000 ] - [ 0.0007305300000000, 0.0001162700000000, 0.0004549300000000 ] - [ 0.0031214300000000, 0.0000000000000000, 0.0021493200000000 ] - [ -0.0001899400000000, 0.0000000000000000, -0.0000537300000000 ] - [ 0.0065720300000000, 0.0000000000000000, -0.0006100300000000 ] - [ 0.0000092800000000, 0.0000000000000000, -0.0001699100000000 ] - [ 0.0002454400000000, 0.0000000000000000, 0.0006117500000000 ] - [ 0.0001173100000000, 0.0000000000000000, 0.0001853300000000 ] - [ 0.0002299600000000, -0.0001056900000000, 0.0002855400000000 ] - [ 0.0008865800000000, -0.0000117400000000, 0.0006610500000000 ] - [ 0.0006872100000000, -0.0000899000000000, -0.0003685200000000 ] - [ 0.0005235700000000, 0.0001144100000000, -0.0000622300000000 ] - [ 0.0013208300000000, 0.0000000000000000, 0.0009207500000000 ] - [ 0.0006371500000000, 0.0000000000000000, 0.0003653300000000 ] - [ 0.0004265200000000, 0.0004346000000000, 0.0001311400000000 ] - [ -0.0011834100000000, -0.0017490700000000, -0.0017684400000000 ] - [ -0.0003252900000000, -0.0001449400000000, -0.0000485200000000 ] - [ -0.0004219100000000, 0.0000694000000000, -0.0000169600000000 ] - [ -0.0004219100000000, -0.0000694000000000, -0.0000169600000000 ] - [ -0.0003252900000000, 0.0001449400000000, -0.0000485200000000 ] - [ -0.0011834100000000, 0.0017490700000000, -0.0017684400000000 ] - [ 0.0004265200000000, -0.0004346000000000, 0.0001311400000000 ] - [ 0.0284516800000000, 0.0187142800000000, 0.0028143300000000 ] - [ -0.0003115000000000, 0.0011903400000000, 0.0002686600000000 ] - [ 0.0296319900000000, 0.0000000000000000, -0.0217435900000000 ] - [ 0.0004348000000000, 0.0000000000000000, 0.0008528200000000 ] - [ -0.0006486400000000, -0.0023188000000000, 0.0000684700000000 ] - [ -0.0006486400000000, 0.0023188000000000, 0.0000684700000000 ] - [ 0.0000067600000000, -0.0014007200000000, 0.0031941600000000 ] - [ 0.0011277900000000, -0.0008029000000000, -0.0000926200000000 ] - [ 0.0011277900000000, 0.0008029000000000, -0.0000926200000000 ] - [ 0.0000067600000000, 0.0014007200000000, 0.0031941600000000 ] - [ -0.0016826400000000, -0.0008928100000000, 0.0002667700000000 ] - [ -0.0001623200000000, 0.0004205800000000, 0.0002093900000000 ] - [ -0.0006124500000000, -0.0009675500000000, 0.0000113700000000 ] - [ -0.0006124500000000, 0.0009675500000000, 0.0000113700000000 ] - [ -0.0001623200000000, -0.0004205800000000, 0.0002093900000000 ] - [ -0.0016826400000000, 0.0008928100000000, 0.0002667700000000 ] - [ -0.0003115000000000, -0.0011903400000000, 0.0002686600000000 ] - [ 0.0284516800000000, -0.0187142800000000, 0.0028143300000000 ] - [ 0.0013700600000000, -0.0013840900000000, 0.0023848200000000 ] - [ 0.0013700600000000, 0.0013840900000000, 0.0023848200000000 ] - [ 0.0004624900000000, -0.0004012500000000, 0.0003907000000000 ] - [ 0.0010306400000000, 0.0001569000000000, 0.0018228800000000 ] - [ -0.0006149100000000, 0.0000000000000000, 0.0028439800000000 ] - [ 0.0004162500000000, 0.0000000000000000, 0.0000141300000000 ] - [ -0.0018434500000000, 0.0000000000000000, 0.0011640600000000 ] - [ -0.0002148300000000, 0.0000000000000000, -0.0000586100000000 ] - [ 0.0010306400000000, -0.0001569000000000, 0.0018228800000000 ] - [ 0.0004624900000000, 0.0004012500000000, 0.0003907000000000 ] - [ -0.0002980000000000, -0.0002661400000000, -0.0001302800000000 ] - [ -0.0005003800000000, -0.0004081700000000, -0.0000961300000000 ] - [ -0.0007566900000000, 0.0001964500000000, -0.0004172000000000 ] - [ -0.0007566900000000, -0.0001964500000000, -0.0004172000000000 ] - [ -0.0015751700000000, 0.0000000000000000, 0.0005701500000000 ] - [ -0.0002926200000000, 0.0000000000000000, 0.0000150700000000 ] - [ -0.0005857100000000, -0.0000272400000000, -0.0000529200000000 ] - [ -0.0011138800000000, 0.0001571400000000, -0.0002660200000000 ] - [ -0.0011138800000000, -0.0001571400000000, -0.0002660200000000 ] - [ -0.0005857100000000, 0.0000272400000000, -0.0000529200000000 ] - [ -0.0006773000000000, 0.0010353300000000, 0.0001982200000000 ] - [ -0.0009795600000000, -0.0014851600000000, 0.0000143700000000 ] - [ -0.0015865800000000, 0.0000000000000000, -0.0011692400000000 ] - [ 0.0000067700000000, 0.0000000000000000, -0.0002402400000000 ] - [ -0.0009795600000000, 0.0014851600000000, 0.0000143700000000 ] - [ -0.0006773000000000, -0.0010353300000000, 0.0001982200000000 ] - [ -0.0005003800000000, 0.0004081700000000, -0.0000961300000000 ] - [ -0.0002980000000000, 0.0002661400000000, -0.0001302800000000 ] - [ -0.0007831400000000, 0.0000000000000000, -0.0005330600000000 ] - [ -0.0002976700000000, 0.0000000000000000, -0.0001167600000000 ] - [ -0.0017718200000000, 0.0009221500000000, -0.0010797300000000 ] - [ -0.0005978600000000, -0.0005478500000000, -0.0003510700000000 ] - [ -0.0008913400000000, 0.0001871700000000, -0.0003348700000000 ] - [ -0.0008913400000000, -0.0001871700000000, -0.0003348700000000 ] - [ -0.0007768200000000, 0.0006136900000000, -0.0005606900000000 ] - [ -0.0007768200000000, -0.0006136900000000, -0.0005606900000000 ] - [ -0.0005978600000000, 0.0005478500000000, -0.0003510700000000 ] - [ -0.0017718200000000, -0.0009221500000000, -0.0010797300000000 ]- atom: 19 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ 0.0002850100000000, -0.0006166000000000, 0.0009810900000000 ] - [ -0.0074906800000000, 0.0081526100000000, 0.0079758000000000 ] - [ -0.0074906800000000, -0.0081526100000000, 0.0079758000000000 ] - [ 0.0002850100000000, 0.0006166000000000, 0.0009810900000000 ] - [ -0.0020949100000000, 0.0005869600000000, -0.0005941900000000 ] - [ -0.0008495100000000, -0.0003405100000000, -0.0004025900000000 ] - [ -0.0008495100000000, 0.0003405100000000, -0.0004025900000000 ] - [ -0.0020949100000000, -0.0005869600000000, -0.0005941900000000 ] - [ 0.0016762200000000, 0.0000000000000000, 0.0016673900000000 ] - [ 0.0005394300000000, 0.0000000000000000, 0.0001320700000000 ] - [ 0.0003126300000000, -0.0000373000000000, -0.0000536000000000 ] - [ -0.0004391600000000, -0.0013417600000000, 0.0037462100000000 ] - [ -0.0021508000000000, 0.0000000000000000, 0.0000090100000000 ] - [ -0.0006377600000000, 0.0000000000000000, 0.0000240300000000 ] - [ 0.0050033300000000, 0.0000000000000000, 0.0050670500000000 ] - [ -0.0000122000000000, 0.0000000000000000, 0.0004663900000000 ] - [ -0.0058424100000000, -0.0033829100000000, -0.0037537300000000 ] - [ 0.0000563900000000, 0.0007700600000000, -0.0004202700000000 ] - [ 0.1008492800000000, 0.0000000000000000, -0.0244807600000000 ] - [ 0.0010921100000000, 0.0000000000000000, 0.0006575400000000 ] - [ -0.0000097900000000, -0.0000791900000000, 0.0000814900000000 ] - [ -0.0000097900000000, 0.0000791900000000, 0.0000814900000000 ] - [ -0.0006185500000000, -0.0009290900000000, 0.0000439300000000 ] - [ -0.0006185500000000, 0.0009290900000000, 0.0000439300000000 ] - [ 0.0014273300000000, -0.0055698900000000, 0.0009633600000000 ] - [ 0.0014273300000000, 0.0055698900000000, 0.0009633600000000 ] - [ -0.0004391600000000, 0.0013417600000000, 0.0037462100000000 ] - [ 0.0003126300000000, 0.0000373000000000, -0.0000536000000000 ] - [ 0.0000563900000000, -0.0007700600000000, -0.0004202700000000 ] - [ -0.0058424100000000, 0.0033829100000000, -0.0037537300000000 ] - [ 0.0030756900000000, 0.0019647800000000, 0.0004966700000000 ] - [ 0.0030756900000000, -0.0019647800000000, 0.0004966700000000 ] - [ -0.0006020400000000, 0.0010336000000000, -0.0006767700000000 ] - [ -0.0006020400000000, -0.0010336000000000, -0.0006767700000000 ] - [ -0.0014025400000000, 0.0000227400000000, -0.0006637900000000 ] - [ -0.0007357800000000, -0.0000721300000000, -0.0002878600000000 ] - [ -0.0013887700000000, 0.0027709800000000, 0.0005186100000000 ] - [ -0.0013887700000000, -0.0027709800000000, 0.0005186100000000 ] - [ -0.0012259200000000, -0.0001554800000000, -0.0002943500000000 ] - [ -0.0012259200000000, 0.0001554800000000, -0.0002943500000000 ] - [ -0.0000259600000000, 0.0001521900000000, 0.0000606200000000 ] - [ -0.0001921500000000, -0.0000626900000000, 0.0003732400000000 ] - [ -0.0004602400000000, 0.0001194400000000, -0.0003419700000000 ] - [ -0.0004602400000000, -0.0001194400000000, -0.0003419700000000 ] - [ -0.0034175100000000, 0.0000000000000000, -0.0022917700000000 ] - [ -0.0000831100000000, 0.0000000000000000, -0.0000674200000000 ] - [ -0.0059965800000000, 0.0000000000000000, 0.0003329700000000 ] - [ 0.0006674500000000, 0.0000000000000000, -0.0001078900000000 ] - [ -0.0006602900000000, 0.0000000000000000, -0.0006422600000000 ] - [ -0.0005243500000000, 0.0000000000000000, -0.0002116100000000 ] - [ -0.0007357800000000, 0.0000721300000000, -0.0002878600000000 ] - [ -0.0014025400000000, -0.0000227400000000, -0.0006637900000000 ] - [ -0.0001921500000000, 0.0000626900000000, 0.0003732400000000 ] - [ -0.0000259600000000, -0.0001521900000000, 0.0000606200000000 ] - [ -0.0010393800000000, 0.0000000000000000, -0.0006781000000000 ] - [ -0.0003448400000000, 0.0000000000000000, -0.0001110200000000 ] - [ -0.0004285400000000, -0.0001636900000000, -0.0001321900000000 ] - [ 0.0011798300000000, 0.0020357800000000, 0.0017840900000000 ] - [ 0.0003275200000000, -0.0001279600000000, 0.0000502000000000 ] - [ 0.0004262900000000, -0.0003447600000000, 0.0000199900000000 ] - [ 0.0004262900000000, 0.0003447600000000, 0.0000199900000000 ] - [ 0.0003275200000000, 0.0001279600000000, 0.0000502000000000 ] - [ 0.0011798300000000, -0.0020357800000000, 0.0017840900000000 ] - [ -0.0004285400000000, 0.0001636900000000, -0.0001321900000000 ] - [ -0.0275567000000000, -0.0180341500000000, -0.0024654600000000 ] - [ 0.0005514700000000, -0.0014909100000000, -0.0001299100000000 ] - [ -0.0291591900000000, 0.0000000000000000, 0.0210679200000000 ] - [ -0.0004618800000000, 0.0000000000000000, -0.0005184800000000 ] - [ 0.0006459800000000, 0.0023510000000000, 0.0001077400000000 ] - [ 0.0006459800000000, -0.0023510000000000, 0.0001077400000000 ] - [ -0.0001903600000000, 0.0015315600000000, -0.0031409000000000 ] - [ -0.0013127400000000, 0.0009319300000000, 0.0001559200000000 ] - [ -0.0013127400000000, -0.0009319300000000, 0.0001559200000000 ] - [ -0.0001903600000000, -0.0015315600000000, -0.0031409000000000 ] - [ 0.0018677900000000, 0.0007629000000000, -0.0003388400000000 ] - [ 0.0003399400000000, -0.0005433900000000, -0.0002744700000000 ] - [ 0.0006347000000000, 0.0009714900000000, -0.0003524000000000 ] - [ 0.0006347000000000, -0.0009714900000000, -0.0003524000000000 ] - [ 0.0003399400000000, 0.0005433900000000, -0.0002744700000000 ] - [ 0.0018677900000000, -0.0007629000000000, -0.0003388400000000 ] - [ 0.0005514700000000, 0.0014909100000000, -0.0001299100000000 ] - [ -0.0275567000000000, 0.0180341500000000, -0.0024654600000000 ] - [ -0.0011275100000000, 0.0013920900000000, -0.0019743000000000 ] - [ -0.0011275100000000, -0.0013920900000000, -0.0019743000000000 ] - [ -0.0007123300000000, 0.0001063400000000, -0.0005356200000000 ] - [ -0.0012919100000000, -0.0004655100000000, -0.0019755600000000 ] - [ 0.0006115100000000, 0.0000000000000000, -0.0030279800000000 ] - [ -0.0004028100000000, 0.0000000000000000, -0.0001798900000000 ] - [ 0.0015773600000000, 0.0000000000000000, -0.0015571400000000 ] - [ -0.0000379200000000, 0.0000000000000000, -0.0003741400000000 ] - [ -0.0012919100000000, 0.0004655100000000, -0.0019755600000000 ] - [ -0.0007123300000000, -0.0001063400000000, -0.0005356200000000 ] - [ 0.0005464000000000, -0.0000299200000000, 0.0002734800000000 ] - [ 0.0007521600000000, 0.0001133800000000, 0.0002420200000000 ] - [ 0.0007402600000000, -0.0001986500000000, 0.0007632500000000 ] - [ 0.0007402600000000, 0.0001986500000000, 0.0007632500000000 ] - [ 0.0015791300000000, 0.0000000000000000, -0.0004055600000000 ] - [ 0.0002760100000000, 0.0000000000000000, 0.0001520200000000 ] - [ 0.0004178600000000, 0.0001484400000000, 0.0001123800000000 ] - [ 0.0009542100000000, -0.0000399300000000, 0.0003288000000000 ] - [ 0.0009542100000000, 0.0000399300000000, 0.0003288000000000 ] - [ 0.0004178600000000, -0.0001484400000000, 0.0001123800000000 ] - [ 0.0008554600000000, -0.0011649900000000, -0.0002591700000000 ] - [ 0.0011645700000000, 0.0013855900000000, -0.0000728400000000 ] - [ 0.0016241700000000, 0.0000000000000000, 0.0008441600000000 ] - [ 0.0000148100000000, 0.0000000000000000, -0.0000990000000000 ] - [ 0.0011645700000000, -0.0013855900000000, -0.0000728400000000 ] - [ 0.0008554600000000, 0.0011649900000000, -0.0002591700000000 ] - [ 0.0007521600000000, -0.0001133800000000, 0.0002420200000000 ] - [ 0.0005464000000000, 0.0000299200000000, 0.0002734800000000 ] - [ 0.0010493500000000, 0.0000000000000000, 0.0009797600000000 ] - [ 0.0005545400000000, 0.0000000000000000, 0.0005540000000000 ] - [ 0.0015409400000000, -0.0012294700000000, 0.0009467600000000 ] - [ 0.0003577800000000, 0.0002541600000000, 0.0002114600000000 ] - [ 0.0009168000000000, -0.0001883000000000, 0.0001717200000000 ] - [ 0.0009168000000000, 0.0001883000000000, 0.0001717200000000 ] - [ 0.0005284500000000, -0.0006186900000000, 0.0001312700000000 ] - [ 0.0005284500000000, 0.0006186900000000, 0.0001312700000000 ] - [ 0.0003577800000000, -0.0002541600000000, 0.0002114600000000 ] - [ 0.0015409400000000, 0.0012294700000000, 0.0009467600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009360600000000, 0.0025193300000000, -0.0006878300000000 ] - [ -0.0084752300000000, -0.0000427500000000, 0.0089394600000000 ] - [ 0.0085078400000000, -0.0000944100000000, -0.0090012400000000 ] - [ -0.0009274800000000, 0.0025249900000000, 0.0006772400000000 ] - [ -0.0002987900000000, -0.0008721400000000, 0.0000552100000000 ] - [ 0.0001384400000000, 0.0008836900000000, 0.0000342600000000 ] - [ -0.0001345700000000, 0.0008793000000000, -0.0000339000000000 ] - [ 0.0002946500000000, -0.0008662900000000, -0.0000383200000000 ] - [ 0.0002011100000000, -0.0028575100000000, 0.0000042200000000 ] - [ 0.0002008100000000, 0.0013707000000000, 0.0000097900000000 ] - [ -0.0002097600000000, 0.0010614900000000, 0.0005208700000000 ] - [ 0.0009204100000000, -0.0010418800000000, -0.0020750800000000 ] - [ -0.0001480600000000, -0.0039328900000000, -0.0001312500000000 ] - [ -0.0001478300000000, 0.0016973700000000, -0.0001270600000000 ] - [ -0.0003264600000000, -0.0049478700000000, 0.0001764800000000 ] - [ -0.0003356900000000, 0.0018327000000000, 0.0001371800000000 ] - [ 0.0097426500000000, 0.0009544000000000, 0.0064144300000000 ] - [ -0.0001655100000000, 0.0017252100000000, -0.0006870100000000 ] - [ -0.0009718300000000, -0.0774605700000000, -0.0002744600000000 ] - [ 0.0001321400000000, 0.0028339800000000, 0.0000584400000000 ] - [ -0.0000590000000000, 0.0005393000000000, 0.0002400500000000 ] - [ -0.0002160000000000, 0.0005397000000000, -0.0003598200000000 ] - [ 0.0016356500000000, 0.0011555500000000, -0.0006227700000000 ] - [ -0.0009593800000000, 0.0011509800000000, 0.0003426500000000 ] - [ 0.0003681600000000, 0.0130259500000000, 0.0001632100000000 ] - [ -0.0007526900000000, 0.0129220200000000, -0.0001695100000000 ] - [ -0.0014280500000000, -0.0010879300000000, 0.0020632300000000 ] - [ -0.0002935500000000, 0.0010213200000000, -0.0005169200000000 ] - [ 0.0006740900000000, 0.0016923800000000, 0.0006917200000000 ] - [ -0.0091988000000000, 0.0009077600000000, -0.0063914000000000 ] - [ 0.0002821200000000, 0.0021858000000000, -0.0021469100000000 ] - [ 0.0000077200000000, 0.0021851100000000, 0.0023816100000000 ] - [ -0.0003441100000000, 0.0003656200000000, -0.0004410400000000 ] - [ 0.0007542900000000, 0.0003685800000000, 0.0004611100000000 ] - [ 0.0003156100000000, -0.0001971700000000, 0.0001555000000000 ] - [ -0.0004241900000000, 0.0003097600000000, -0.0000290800000000 ] - [ -0.0022707500000000, 0.0016458700000000, 0.0004410300000000 ] - [ 0.0019704100000000, 0.0016490300000000, -0.0006896000000000 ] - [ 0.0004291400000000, 0.0003922900000000, 0.0007552200000000 ] - [ -0.0010973900000000, 0.0003944900000000, -0.0004733800000000 ] - [ 0.0000270100000000, 0.0004178200000000, -0.0000377800000000 ] - [ 0.0005084500000000, -0.0004473600000000, 0.0002267800000000 ] - [ 0.0002562800000000, 0.0000349200000000, 0.0002498300000000 ] - [ 0.0000193500000000, 0.0000347000000000, -0.0001299200000000 ] - [ -0.0001375200000000, -0.0038090900000000, -0.0000581300000000 ] - [ -0.0001352400000000, 0.0009188000000000, -0.0000599000000000 ] - [ 0.0003514900000000, -0.0030232700000000, -0.0001300400000000 ] - [ 0.0003333900000000, 0.0012340600000000, -0.0001386800000000 ] - [ -0.0002010100000000, -0.0006932900000000, -0.0000100500000000 ] - [ -0.0001997000000000, 0.0006516400000000, -0.0000124100000000 ] - [ -0.0000766000000000, 0.0002704800000000, 0.0000293000000000 ] - [ -0.0008165900000000, -0.0002350100000000, -0.0001516500000000 ] - [ 0.0000006700000000, -0.0004892000000000, -0.0002242500000000 ] - [ 0.0004760200000000, 0.0003769500000000, 0.0000329700000000 ] - [ 0.0001508600000000, -0.0018318500000000, 0.0001275900000000 ] - [ 0.0001499000000000, 0.0010470700000000, 0.0001296900000000 ] - [ 0.0001750600000000, -0.0006944900000000, 0.0000305500000000 ] - [ -0.0016234900000000, 0.0015762000000000, -0.0003239200000000 ] - [ -0.0001951100000000, -0.0006938600000000, -0.0001100700000000 ] - [ 0.0001941700000000, 0.0004937600000000, 0.0001485400000000 ] - [ -0.0001937100000000, 0.0007677200000000, -0.0001483800000000 ] - [ 0.0001942200000000, -0.0004210100000000, 0.0001097900000000 ] - [ 0.0015813700000000, 0.0013732300000000, 0.0002664000000000 ] - [ -0.0001734900000000, -0.0009696300000000, -0.0000288400000000 ] - [ 0.0163634600000000, 0.0238481100000000, -0.0004803000000000 ] - [ 0.0008992900000000, -0.0037719500000000, -0.0002320800000000 ] - [ -0.0000455200000000, 0.0107827500000000, 0.0002429900000000 ] - [ -0.0000122700000000, -0.0014010600000000, 0.0001718000000000 ] - [ -0.0025347300000000, -0.0036258900000000, -0.0009110100000000 ] - [ 0.0025150600000000, -0.0036369000000000, 0.0010843000000000 ] - [ 0.0006926000000000, 0.0018565700000000, 0.0000986900000000 ] - [ 0.0001710000000000, -0.0016340400000000, -0.0002884800000000 ] - [ -0.0003430600000000, -0.0017508700000000, 0.0003479000000000 ] - [ -0.0008734000000000, 0.0017167100000000, -0.0000344500000000 ] - [ -0.0043416900000000, 0.0008949400000000, 0.0019012400000000 ] - [ 0.0008343800000000, -0.0012945500000000, -0.0004337900000000 ] - [ -0.0004305800000000, -0.0006201200000000, -0.0000893000000000 ] - [ 0.0004586400000000, -0.0006245800000000, -0.0002492900000000 ] - [ -0.0006617400000000, -0.0011741700000000, 0.0003759400000000 ] - [ 0.0045067300000000, 0.0010169700000000, -0.0019493800000000 ] - [ -0.0006665600000000, -0.0034920800000000, 0.0003782200000000 ] - [ -0.0150365100000000, 0.0230100700000000, 0.0009059800000000 ] - [ -0.0003684800000000, -0.0025331400000000, 0.0028341700000000 ] - [ 0.0006089700000000, -0.0025210600000000, -0.0023844100000000 ] - [ -0.0001662100000000, -0.0011791100000000, 0.0000318200000000 ] - [ 0.0007210500000000, 0.0009609000000000, -0.0002016200000000 ] - [ 0.0000113200000000, 0.0021885600000000, -0.0000852900000000 ] - [ 0.0000097200000000, -0.0020914600000000, -0.0000834600000000 ] - [ -0.0001173100000000, 0.0025936300000000, -0.0002100300000000 ] - [ -0.0001250400000000, -0.0012484600000000, -0.0002165900000000 ] - [ -0.0009546200000000, 0.0012630000000000, 0.0000606300000000 ] - [ -0.0000752900000000, -0.0008837200000000, -0.0001732700000000 ] - [ 0.0002516700000000, -0.0005897600000000, 0.0000899900000000 ] - [ -0.0000613500000000, 0.0003007900000000, -0.0000183100000000 ] - [ -0.0003705700000000, 0.0000245600000000, -0.0004062300000000 ] - [ 0.0003410400000000, 0.0000234800000000, 0.0007425800000000 ] - [ -0.0000159800000000, 0.0008996000000000, 0.0000835500000000 ] - [ -0.0000094300000000, -0.0009920000000000, 0.0000841200000000 ] - [ -0.0001427500000000, -0.0007296900000000, -0.0000658700000000 ] - [ 0.0002785700000000, 0.0007005900000000, 0.0006504100000000 ] - [ -0.0004551000000000, 0.0005806700000000, -0.0005933600000000 ] - [ -0.0000333500000000, -0.0008490000000000, 0.0001216200000000 ] - [ 0.0007918100000000, -0.0013623300000000, -0.0002535800000000 ] - [ -0.0003288400000000, 0.0010429700000000, 0.0002741700000000 ] - [ 0.0000111200000000, 0.0011364100000000, -0.0001756900000000 ] - [ 0.0000131800000000, -0.0005631900000000, -0.0001689900000000 ] - [ 0.0005016900000000, 0.0011729100000000, -0.0003348900000000 ] - [ -0.0006184000000000, -0.0012448700000000, 0.0001958500000000 ] - [ 0.0002987200000000, 0.0006000400000000, 0.0001597300000000 ] - [ -0.0000093400000000, -0.0002941200000000, 0.0000529200000000 ] - [ 0.0001224300000000, 0.0004247300000000, 0.0002147700000000 ] - [ 0.0001238000000000, -0.0004851500000000, 0.0002169700000000 ] - [ -0.0007277300000000, 0.0008607300000000, -0.0001493100000000 ] - [ 0.0001037000000000, -0.0007521400000000, 0.0000535700000000 ] - [ 0.0000158900000000, 0.0000231100000000, -0.0000157700000000 ] - [ -0.0000002100000000, 0.0000227800000000, -0.0001529200000000 ] - [ 0.0005540500000000, -0.0002633500000000, 0.0001552600000000 ] - [ -0.0008026800000000, -0.0002634000000000, -0.0005901800000000 ] - [ -0.0003477700000000, -0.0004541900000000, -0.0001983500000000 ] - [ 0.0004846400000000, 0.0011582400000000, 0.0000032700000000 ]- atom: 19 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ 0.0000035300000000, -0.0003752000000000, -0.0000166300000000 ] - [ -0.0113226700000000, 0.0123763700000000, 0.0013196600000000 ] - [ -0.0113226700000000, -0.0123763700000000, 0.0013196600000000 ] - [ 0.0000035300000000, 0.0003752000000000, -0.0000166300000000 ] - [ -0.0001920700000000, 0.0000421700000000, 0.0000299800000000 ] - [ -0.0000164700000000, -0.0000362300000000, 0.0000291200000000 ] - [ -0.0000164700000000, 0.0000362300000000, 0.0000291200000000 ] - [ -0.0001920700000000, -0.0000421700000000, 0.0000299800000000 ] - [ -0.0015862100000000, 0.0000000000000000, 0.0035594400000000 ] - [ 0.0002383500000000, 0.0000000000000000, 0.0001048900000000 ] - [ -0.0002947200000000, -0.0000122200000000, 0.0002050800000000 ] - [ -0.0029511100000000, -0.0013705800000000, 0.0042411000000000 ] - [ -0.0005685700000000, 0.0000000000000000, -0.0004849600000000 ] - [ -0.0001382700000000, 0.0000000000000000, -0.0001529100000000 ] - [ 0.0027476100000000, 0.0000000000000000, 0.0179607500000000 ] - [ -0.0004016100000000, 0.0000000000000000, 0.0001856900000000 ] - [ 0.0018038900000000, 0.0003341400000000, 0.0007347400000000 ] - [ 0.0002590300000000, -0.0000042600000000, -0.0000827600000000 ] - [ 0.0696302100000000, 0.0000000000000000, -0.0784281200000000 ] - [ 0.0000692700000000, 0.0000000000000000, -0.0000430100000000 ] - [ -0.0001988100000000, 0.0002329800000000, 0.0003319000000000 ] - [ -0.0001988100000000, -0.0002329800000000, 0.0003319000000000 ] - [ 0.0003258700000000, -0.0000927400000000, -0.0004625400000000 ] - [ 0.0003258700000000, 0.0000927400000000, -0.0004625400000000 ] - [ -0.0003827100000000, 0.0011842400000000, -0.0006460400000000 ] - [ -0.0003827100000000, -0.0011842400000000, -0.0006460400000000 ] - [ -0.0029511100000000, 0.0013705800000000, 0.0042411000000000 ] - [ -0.0002947200000000, 0.0000122200000000, 0.0002050800000000 ] - [ 0.0002590300000000, 0.0000042600000000, -0.0000827600000000 ] - [ 0.0018038900000000, -0.0003341400000000, 0.0007347400000000 ] - [ 0.0008268700000000, -0.0010347200000000, 0.0002136700000000 ] - [ 0.0008268700000000, 0.0010347200000000, 0.0002136700000000 ] - [ 0.0001433500000000, 0.0000773300000000, -0.0001199300000000 ] - [ 0.0001433500000000, -0.0000773300000000, -0.0001199300000000 ] - [ -0.0002169900000000, 0.0000044300000000, -0.0000545200000000 ] - [ -0.0002412500000000, 0.0000173100000000, -0.0000206800000000 ] - [ -0.0001222500000000, 0.0001699100000000, -0.0001799300000000 ] - [ -0.0001222500000000, -0.0001699100000000, -0.0001799300000000 ] - [ -0.0003005400000000, 0.0000208600000000, 0.0001733300000000 ] - [ -0.0003005400000000, -0.0000208600000000, 0.0001733300000000 ] - [ 0.0002309200000000, -0.0000149500000000, 0.0000347700000000 ] - [ 0.0004653500000000, 0.0002579700000000, 0.0008582600000000 ] - [ 0.0002047100000000, -0.0001073900000000, 0.0001122300000000 ] - [ 0.0002047100000000, 0.0001073900000000, 0.0001122300000000 ] - [ 0.0002614000000000, 0.0000000000000000, -0.0002798500000000 ] - [ -0.0001075000000000, 0.0000000000000000, -0.0000474300000000 ] - [ -0.0026010300000000, 0.0000000000000000, -0.0008204400000000 ] - [ 0.0003058300000000, 0.0000000000000000, -0.0001733500000000 ] - [ 0.0000250300000000, 0.0000000000000000, 0.0000652800000000 ] - [ -0.0001883000000000, 0.0000000000000000, 0.0000126400000000 ] - [ -0.0002412500000000, -0.0000173100000000, -0.0000206800000000 ] - [ -0.0002169900000000, -0.0000044300000000, -0.0000545200000000 ] - [ 0.0004653500000000, -0.0002579700000000, 0.0008582600000000 ] - [ 0.0002309200000000, 0.0000149500000000, 0.0000347700000000 ] - [ 0.0003305100000000, 0.0000000000000000, 0.0001850700000000 ] - [ 0.0001693300000000, 0.0000000000000000, 0.0001738400000000 ] - [ -0.0000728500000000, 0.0002112900000000, 0.0000912900000000 ] - [ 0.0021037100000000, 0.0032315900000000, 0.0046980000000000 ] - [ 0.0000264100000000, -0.0001143200000000, -0.0000463800000000 ] - [ 0.0000197500000000, -0.0001086400000000, -0.0000696300000000 ] - [ 0.0000197500000000, 0.0001086400000000, -0.0000696300000000 ] - [ 0.0000264100000000, 0.0001143200000000, -0.0000463800000000 ] - [ 0.0021037100000000, -0.0032315900000000, 0.0046980000000000 ] - [ -0.0000728500000000, -0.0002112900000000, 0.0000912900000000 ] - [ -0.0129099300000000, -0.0107484500000000, 0.0038538500000000 ] - [ 0.0001444000000000, -0.0000753300000000, 0.0002190200000000 ] - [ -0.0344534600000000, 0.0000000000000000, 0.0416334400000000 ] - [ -0.0000685100000000, 0.0000000000000000, 0.0002270000000000 ] - [ -0.0001733500000000, -0.0005925000000000, -0.0001813300000000 ] - [ -0.0001733500000000, 0.0005925000000000, -0.0001813300000000 ] - [ 0.0014772000000000, 0.0036014400000000, -0.0041066200000000 ] - [ -0.0000635800000000, -0.0000601600000000, -0.0000703900000000 ] - [ -0.0000635800000000, 0.0000601600000000, -0.0000703900000000 ] - [ 0.0014772000000000, -0.0036014400000000, -0.0041066200000000 ] - [ -0.0002317600000000, 0.0003026400000000, 0.0012234500000000 ] - [ -0.0000208900000000, -0.0001561900000000, 0.0001281700000000 ] - [ 0.0010791000000000, 0.0012379100000000, -0.0002102900000000 ] - [ 0.0010791000000000, -0.0012379100000000, -0.0002102900000000 ] - [ -0.0000208900000000, 0.0001561900000000, 0.0001281700000000 ] - [ -0.0002317600000000, -0.0003026400000000, 0.0012234500000000 ] - [ 0.0001444000000000, 0.0000753300000000, 0.0002190200000000 ] - [ -0.0129099300000000, 0.0107484500000000, 0.0038538500000000 ] - [ -0.0002139800000000, 0.0009605900000000, 0.0010169500000000 ] - [ -0.0002139800000000, -0.0009605900000000, 0.0010169500000000 ] - [ -0.0001404000000000, -0.0000874100000000, -0.0001875500000000 ] - [ 0.0002953200000000, 0.0003024500000000, -0.0013693300000000 ] - [ 0.0033517000000000, 0.0000000000000000, -0.0029543800000000 ] - [ 0.0000042000000000, 0.0000000000000000, -0.0002033900000000 ] - [ 0.0041461000000000, 0.0000000000000000, -0.0027819100000000 ] - [ -0.0000555800000000, 0.0000000000000000, -0.0002868200000000 ] - [ 0.0002953200000000, -0.0003024500000000, -0.0013693300000000 ] - [ -0.0001404000000000, 0.0000874100000000, -0.0001875500000000 ] - [ 0.0001294000000000, -0.0001332500000000, 0.0000432200000000 ] - [ -0.0001568600000000, -0.0001885300000000, -0.0003451800000000 ] - [ 0.0000178100000000, 0.0000064600000000, 0.0000978500000000 ] - [ 0.0000178100000000, -0.0000064600000000, 0.0000978500000000 ] - [ 0.0000309900000000, 0.0000000000000000, -0.0007835900000000 ] - [ -0.0000192000000000, 0.0000000000000000, 0.0000622400000000 ] - [ -0.0001038000000000, 0.0000522100000000, 0.0000375100000000 ] - [ -0.0001696600000000, 0.0001131200000000, 0.0000889900000000 ] - [ -0.0001696600000000, -0.0001131200000000, 0.0000889900000000 ] - [ -0.0001038000000000, -0.0000522100000000, 0.0000375100000000 ] - [ 0.0000498900000000, -0.0000294800000000, -0.0000575700000000 ] - [ 0.0005516200000000, 0.0006423100000000, -0.0000855000000000 ] - [ 0.0000741200000000, 0.0000000000000000, 0.0007415500000000 ] - [ -0.0000058200000000, 0.0000000000000000, -0.0001508700000000 ] - [ 0.0005516200000000, -0.0006423100000000, -0.0000855000000000 ] - [ 0.0000498900000000, 0.0000294800000000, -0.0000575700000000 ] - [ -0.0001568600000000, 0.0001885300000000, -0.0003451800000000 ] - [ 0.0001294000000000, 0.0001332500000000, 0.0000432200000000 ] - [ 0.0000082800000000, 0.0000000000000000, -0.0000720000000000 ] - [ 0.0001119000000000, 0.0000000000000000, 0.0001674400000000 ] - [ -0.0002061800000000, -0.0000587000000000, -0.0000066900000000 ] - [ -0.0001441600000000, -0.0001306000000000, -0.0000624500000000 ] - [ 0.0000324300000000, 0.0000090500000000, -0.0000460900000000 ] - [ 0.0000324300000000, -0.0000090500000000, -0.0000460900000000 ] - [ 0.0000010500000000, -0.0000443800000000, -0.0000622500000000 ] - [ 0.0000010500000000, 0.0000443800000000, -0.0000622500000000 ] - [ -0.0001441600000000, 0.0001306000000000, -0.0000624500000000 ] - [ -0.0002061800000000, 0.0000587000000000, -0.0000066900000000 ]- atom: 19 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ -0.0000033100000000, 0.0003799500000000, 0.0000208300000000 ] - [ 0.0114231300000000, -0.0124865800000000, -0.0013156900000000 ] - [ 0.0114231300000000, 0.0124865800000000, -0.0013156900000000 ] - [ -0.0000033100000000, -0.0003799500000000, 0.0000208300000000 ] - [ 0.0001746200000000, -0.0000401100000000, -0.0000265600000000 ] - [ 0.0000203500000000, 0.0000425400000000, -0.0000341200000000 ] - [ 0.0000203500000000, -0.0000425400000000, -0.0000341200000000 ] - [ 0.0001746200000000, 0.0000401100000000, -0.0000265600000000 ] - [ 0.0020094100000000, 0.0000000000000000, -0.0035259000000000 ] - [ 0.0001726400000000, 0.0000000000000000, -0.0000835900000000 ] - [ -0.0002077600000000, 0.0000466400000000, -0.0002037800000000 ] - [ 0.0024422200000000, 0.0013622700000000, -0.0042306200000000 ] - [ 0.0002864700000000, 0.0000000000000000, 0.0002533700000000 ] - [ -0.0001579600000000, 0.0000000000000000, -0.0000962100000000 ] - [ -0.0034250000000000, 0.0000000000000000, -0.0178517500000000 ] - [ -0.0002681600000000, 0.0000000000000000, 0.0001008800000000 ] - [ -0.0013411800000000, -0.0003207800000000, -0.0007555600000000 ] - [ 0.0002450600000000, 0.0000335000000000, 0.0000811400000000 ] - [ -0.0714503800000000, 0.0000000000000000, 0.0816758100000000 ] - [ 0.0002108000000000, 0.0000000000000000, 0.0001614100000000 ] - [ -0.0000646800000000, -0.0002190700000000, -0.0004469600000000 ] - [ -0.0000646800000000, 0.0002190700000000, -0.0004469600000000 ] - [ 0.0003447200000000, 0.0000952400000000, 0.0001869800000000 ] - [ 0.0003447200000000, -0.0000952400000000, 0.0001869800000000 ] - [ -0.0000264500000000, -0.0012341800000000, 0.0006338500000000 ] - [ -0.0000264500000000, 0.0012341800000000, 0.0006338500000000 ] - [ 0.0024422200000000, -0.0013622700000000, -0.0042306200000000 ] - [ -0.0002077600000000, -0.0000466400000000, -0.0002037800000000 ] - [ 0.0002450600000000, -0.0000335000000000, 0.0000811400000000 ] - [ -0.0013411800000000, 0.0003207800000000, -0.0007555600000000 ] - [ -0.0005484600000000, 0.0010571300000000, 0.0000462600000000 ] - [ -0.0005484600000000, -0.0010571300000000, 0.0000462600000000 ] - [ 0.0002702300000000, -0.0000781600000000, 0.0001409000000000 ] - [ 0.0002702300000000, 0.0000781600000000, 0.0001409000000000 ] - [ -0.0002906400000000, 0.0000252300000000, 0.0000567000000000 ] - [ -0.0002621500000000, 0.0000115700000000, 0.0000206300000000 ] - [ -0.0001645100000000, -0.0001701900000000, -0.0000774300000000 ] - [ -0.0001645100000000, 0.0001701900000000, -0.0000774300000000 ] - [ -0.0003743900000000, -0.0000244400000000, 0.0001082800000000 ] - [ -0.0003743900000000, 0.0000244400000000, 0.0001082800000000 ] - [ 0.0002720000000000, 0.0000484100000000, -0.0000379400000000 ] - [ 0.0000335800000000, -0.0002370200000000, -0.0008598800000000 ] - [ 0.0000691300000000, 0.0001113100000000, 0.0000001300000000 ] - [ 0.0000691300000000, -0.0001113100000000, 0.0000001300000000 ] - [ -0.0005267800000000, 0.0000000000000000, 0.0001621200000000 ] - [ -0.0001667500000000, 0.0000000000000000, -0.0000714800000000 ] - [ 0.0032639500000000, 0.0000000000000000, 0.0005231500000000 ] - [ 0.0003673700000000, 0.0000000000000000, -0.0001075200000000 ] - [ -0.0004429000000000, 0.0000000000000000, -0.0000908400000000 ] - [ -0.0002227300000000, 0.0000000000000000, -0.0000336500000000 ] - [ -0.0002621500000000, -0.0000115700000000, 0.0000206300000000 ] - [ -0.0002906400000000, -0.0000252300000000, 0.0000567000000000 ] - [ 0.0000335800000000, 0.0002370200000000, -0.0008598800000000 ] - [ 0.0002720000000000, -0.0000484100000000, -0.0000379400000000 ] - [ -0.0000405500000000, 0.0000000000000000, 0.0000576500000000 ] - [ 0.0001222500000000, 0.0000000000000000, 0.0000755100000000 ] - [ 0.0000728900000000, 0.0000576300000000, -0.0000938700000000 ] - [ -0.0021333400000000, -0.0029765900000000, -0.0046898300000000 ] - [ -0.0000266200000000, -0.0001598400000000, 0.0000455800000000 ] - [ -0.0000212200000000, -0.0001626000000000, 0.0000694200000000 ] - [ -0.0000212200000000, 0.0001626000000000, 0.0000694200000000 ] - [ -0.0000266200000000, 0.0001598400000000, 0.0000455800000000 ] - [ -0.0021333400000000, 0.0029765900000000, -0.0046898300000000 ] - [ 0.0000728900000000, -0.0000576300000000, -0.0000938700000000 ] - [ 0.0130456200000000, 0.0103909500000000, -0.0036673700000000 ] - [ 0.0001040200000000, -0.0002306800000000, -0.0000859700000000 ] - [ 0.0366754200000000, 0.0000000000000000, -0.0443081500000000 ] - [ 0.0000493300000000, 0.0000000000000000, 0.0001106900000000 ] - [ 0.0001693600000000, 0.0006169700000000, 0.0003463500000000 ] - [ 0.0001693600000000, -0.0006169700000000, 0.0003463500000000 ] - [ -0.0016458600000000, -0.0035026900000000, 0.0041766400000000 ] - [ -0.0001096800000000, 0.0001849600000000, 0.0001384700000000 ] - [ -0.0001096800000000, -0.0001849600000000, 0.0001384700000000 ] - [ -0.0016458600000000, 0.0035026900000000, 0.0041766400000000 ] - [ 0.0004110600000000, -0.0004292600000000, -0.0013111500000000 ] - [ 0.0001951300000000, 0.0000344000000000, -0.0001986500000000 ] - [ -0.0010696600000000, -0.0012522100000000, -0.0001382800000000 ] - [ -0.0010696600000000, 0.0012522100000000, -0.0001382800000000 ] - [ 0.0001951300000000, -0.0000344000000000, -0.0001986500000000 ] - [ 0.0004110600000000, 0.0004292600000000, -0.0013111500000000 ] - [ 0.0001040200000000, 0.0002306800000000, -0.0000859700000000 ] - [ 0.0130456200000000, -0.0103909500000000, -0.0036673700000000 ] - [ 0.0004742500000000, -0.0009675400000000, -0.0006089100000000 ] - [ 0.0004742500000000, 0.0009675400000000, -0.0006089100000000 ] - [ -0.0001072500000000, -0.0002145900000000, 0.0000528400000000 ] - [ -0.0005548200000000, -0.0005881700000000, 0.0012275000000000 ] - [ -0.0033356500000000, 0.0000000000000000, 0.0027719100000000 ] - [ 0.0000117100000000, 0.0000000000000000, 0.0000426000000000 ] - [ -0.0044110000000000, 0.0000000000000000, 0.0023380900000000 ] - [ -0.0002033800000000, 0.0000000000000000, -0.0001436900000000 ] - [ -0.0005548200000000, 0.0005881700000000, 0.0012275000000000 ] - [ -0.0001072500000000, 0.0002145900000000, 0.0000528400000000 ] - [ 0.0001174500000000, -0.0001664400000000, 0.0000940000000000 ] - [ 0.0004081700000000, -0.0001086600000000, 0.0004874800000000 ] - [ -0.0000357600000000, -0.0000073700000000, 0.0002477200000000 ] - [ -0.0000357600000000, 0.0000073700000000, 0.0002477200000000 ] - [ -0.0000395600000000, 0.0000000000000000, 0.0009498700000000 ] - [ 0.0000016300000000, 0.0000000000000000, 0.0000993000000000 ] - [ -0.0000653100000000, 0.0000699200000000, 0.0000261600000000 ] - [ 0.0000028800000000, 0.0000081100000000, -0.0000219000000000 ] - [ 0.0000028800000000, -0.0000081100000000, -0.0000219000000000 ] - [ -0.0000653100000000, -0.0000699200000000, 0.0000261600000000 ] - [ 0.0001198500000000, -0.0000919700000000, -0.0000080200000000 ] - [ -0.0003778400000000, -0.0007549000000000, 0.0000237700000000 ] - [ -0.0000476800000000, 0.0000000000000000, -0.0010698100000000 ] - [ 0.0000271900000000, 0.0000000000000000, -0.0001906200000000 ] - [ -0.0003778400000000, 0.0007549000000000, 0.0000237700000000 ] - [ 0.0001198500000000, 0.0000919700000000, -0.0000080200000000 ] - [ 0.0004081700000000, 0.0001086600000000, 0.0004874800000000 ] - [ 0.0001174500000000, 0.0001664400000000, 0.0000940000000000 ] - [ 0.0002535900000000, 0.0000000000000000, 0.0005091700000000 ] - [ 0.0001465400000000, 0.0000000000000000, 0.0002650300000000 ] - [ -0.0000396600000000, -0.0002427000000000, -0.0001281400000000 ] - [ -0.0001014900000000, -0.0001687400000000, -0.0000723500000000 ] - [ -0.0000147700000000, -0.0000094000000000, -0.0001149900000000 ] - [ -0.0000147700000000, 0.0000094000000000, -0.0001149900000000 ] - [ -0.0002588200000000, 0.0000454800000000, -0.0003653300000000 ] - [ -0.0002588200000000, -0.0000454800000000, -0.0003653300000000 ] - [ -0.0001014900000000, 0.0001687400000000, -0.0000723500000000 ] - [ -0.0000396600000000, 0.0002427000000000, -0.0001281400000000 ]- atom: 57 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ -0.0027356900000000, 0.0004759500000000, -0.0000467300000000 ] - [ -0.0001541800000000, -0.0001127500000000, 0.0000078400000000 ] - [ -0.0009988400000000, 0.0008466700000000, -0.0004313700000000 ] - [ -0.0012855600000000, -0.0012201700000000, 0.0003549700000000 ] - [ -0.0010048800000000, -0.0008413400000000, -0.0004272700000000 ] - [ -0.0012739300000000, 0.0012129500000000, 0.0003553000000000 ] - [ -0.0027311200000000, -0.0004868600000000, -0.0000516700000000 ] - [ -0.0001653600000000, 0.0001140500000000, 0.0000163100000000 ] - [ 0.0000855200000000, 0.0000874700000000, -0.0000545500000000 ] - [ 0.0000457600000000, -0.0001048800000000, -0.0004288600000000 ] - [ -0.0004144800000000, 0.0002361800000000, 0.0010582000000000 ] - [ -0.0001316900000000, -0.0000143900000000, 0.0000756400000000 ] - [ -0.0005693100000000, 0.0000504200000000, -0.0002323200000000 ] - [ -0.0010071500000000, 0.0000021900000000, -0.0004569000000000 ] - [ 0.0002875600000000, 0.0008348900000000, 0.0002118200000000 ] - [ -0.0008800100000000, -0.0024374200000000, 0.0016368000000000 ] - [ -0.0000876900000000, 0.0001947800000000, -0.0002692200000000 ] - [ -0.0007995000000000, -0.0001680000000000, -0.0008347400000000 ] - [ 0.0005639900000000, 0.0001744800000000, 0.0002100500000000 ] - [ -0.0010343300000000, -0.0015820800000000, 0.0018644400000000 ] - [ -0.0005579100000000, 0.0001958200000000, -0.0002662300000000 ] - [ -0.0004630300000000, -0.0001958500000000, -0.0002066900000000 ] - [ -0.0003200600000000, 0.0001248700000000, -0.0003560300000000 ] - [ -0.0001697300000000, -0.0001562700000000, -0.0003113700000000 ] - [ -0.0008861600000000, 0.0017419400000000, -0.0013131300000000 ] - [ 0.0000392500000000, -0.0010956500000000, -0.0000016600000000 ] - [ -0.0007227600000000, 0.0000364900000000, 0.0011362000000000 ] - [ -0.0000854500000000, -0.0003485000000000, 0.0003568100000000 ] - [ -0.0007278200000000, 0.0001456300000000, -0.0006173600000000 ] - [ 0.0000757300000000, -0.0001278400000000, -0.0001314800000000 ] - [ -0.0003635600000000, 0.0013436700000000, -0.0012380100000000 ] - [ 0.0010768500000000, -0.0004992100000000, 0.0001515300000000 ] - [ -0.0004832100000000, -0.0017409000000000, -0.0012953200000000 ] - [ 0.0004470200000000, 0.0010943100000000, 0.0000190800000000 ] - [ -0.0005898000000000, -0.0001565000000000, -0.0002694100000000 ] - [ -0.0013025100000000, 0.0002009000000000, -0.0008320600000000 ] - [ -0.0006910800000000, -0.0013934400000000, -0.0014567900000000 ] - [ 0.0007753900000000, 0.0004997800000000, -0.0001013700000000 ] - [ -0.0009926500000000, -0.0001231100000000, -0.0000771800000000 ] - [ -0.0008421300000000, 0.0001555000000000, -0.0000310100000000 ] - [ 0.0000880300000000, -0.0001950200000000, 0.0010490100000000 ] - [ 0.0003695300000000, 0.0000475100000000, 0.0000748400000000 ] - [ -0.0002856300000000, -0.0001919200000000, -0.0001472400000000 ] - [ -0.0001879100000000, 0.0001935700000000, -0.0000887200000000 ] - [ 0.0002901200000000, -0.0001761200000000, 0.0000893900000000 ] - [ -0.0013505000000000, 0.0016251600000000, 0.0016914000000000 ] - [ 0.0009639800000000, -0.0008402600000000, -0.0000670900000000 ] - [ -0.0002371500000000, 0.0024547300000000, 0.0013745900000000 ] - [ -0.0003270500000000, -0.0000898000000000, -0.0000749000000000 ] - [ -0.0003598900000000, 0.0001062700000000, -0.0004500600000000 ] - [ -0.0012284900000000, -0.0001808600000000, -0.0006158000000000 ] - [ -0.0004272700000000, 0.0000937500000000, -0.0001301300000000 ] - [ -0.0002235600000000, -0.0000689900000000, 0.0011431300000000 ] - [ 0.0004160600000000, 0.0003087900000000, 0.0003536000000000 ] - [ -0.0002719800000000, -0.0000510800000000, 0.0000219100000000 ] - [ -0.0007095400000000, -0.0000023100000000, -0.0002002100000000 ] - [ -0.0137966800000000, 0.0001203400000000, 0.0013666100000000 ] - [ -0.0004258100000000, 0.0001371400000000, 0.0000369500000000 ] - [ 0.0003877900000000, -0.0001373000000000, 0.0000928800000000 ] - [ 0.0002823600000000, -0.0001369200000000, 0.0000804100000000 ] - [ 0.0003143500000000, 0.0001369100000000, 0.0001131000000000 ] - [ 0.0003140800000000, 0.0001377700000000, 0.0000809800000000 ] - [ -0.0008605300000000, -0.0001374000000000, 0.0004778000000000 ] - [ -0.0011038600000000, -0.0001467000000000, -0.0003894500000000 ] - [ 0.0003670900000000, -0.0009106200000000, 0.0002431000000000 ] - [ 0.0032332800000000, 0.0033253600000000, 0.0005899400000000 ] - [ -0.0002669300000000, -0.0002764800000000, 0.0001737100000000 ] - [ 0.0026461600000000, 0.0022609200000000, -0.0002716800000000 ] - [ 0.0007398900000000, -0.0002486200000000, 0.0002989500000000 ] - [ 0.0003601500000000, 0.0005813500000000, 0.0002581300000000 ] - [ 0.0026978300000000, -0.0033325700000000, -0.0008573900000000 ] - [ 0.0000634100000000, 0.0017506700000000, 0.0002024200000000 ] - [ 0.0016327000000000, 0.0000393300000000, -0.0017257600000000 ] - [ -0.0002034900000000, -0.0000947400000000, -0.0000170700000000 ] - [ 0.0004827400000000, -0.0001821400000000, 0.0000869800000000 ] - [ 0.0009214700000000, -0.0000539900000000, 0.0000436500000000 ] - [ 0.0006686300000000, -0.0002188700000000, 0.0000905400000000 ] - [ 0.0004680000000000, 0.0003657600000000, 0.0000359200000000 ] - [ 0.0008167000000000, 0.0000723300000000, 0.0000823000000000 ] - [ 0.0003120100000000, 0.0001255000000000, -0.0000254000000000 ] - [ 0.0016849500000000, -0.0005753600000000, 0.0012074500000000 ] - [ 0.0002647600000000, 0.0003890200000000, 0.0001724300000000 ] - [ 0.0013440000000000, -0.0015779400000000, 0.0002499100000000 ] - [ -0.0001918000000000, 0.0004592800000000, -0.0000382100000000 ] - [ 0.0001925700000000, -0.0003612500000000, -0.0002995400000000 ] - [ -0.0001492300000000, -0.0001675800000000, -0.0001490500000000 ] - [ 0.0001357600000000, -0.0002808500000000, -0.0002861200000000 ] - [ 0.0005957500000000, -0.0000429100000000, -0.0003215100000000 ] - [ 0.0002217500000000, -0.0001993400000000, -0.0000875100000000 ] - [ 0.0005870600000000, 0.0000609600000000, 0.0002254200000000 ] - [ 0.0000716700000000, 0.0001176300000000, -0.0003834200000000 ] - [ 0.0000592500000000, 0.0004624900000000, -0.0003138000000000 ] - [ 0.0004335200000000, 0.0000647500000000, -0.0001533100000000 ] - [ 0.0000920800000000, -0.0001293800000000, -0.0000036500000000 ] - [ 0.0006416800000000, 0.0002186900000000, 0.0004295400000000 ] - [ 0.0004393200000000, -0.0003632600000000, 0.0003748300000000 ] - [ 0.0001196900000000, 0.0002823600000000, -0.0001144800000000 ] - [ 0.0005794200000000, 0.0000413100000000, -0.0001519800000000 ] - [ 0.0006420900000000, 0.0000465000000000, 0.0001390600000000 ] - [ 0.0001371700000000, -0.0000062700000000, 0.0000323300000000 ] - [ 0.0003083300000000, 0.0000631300000000, 0.0001443400000000 ] - [ 0.0007454800000000, -0.0000647300000000, 0.0000997700000000 ] - [ 0.0017884800000000, -0.0001702500000000, -0.0017572600000000 ] - [ -0.0000255000000000, -0.0000260500000000, -0.0000741600000000 ] - [ -0.0002405100000000, 0.0002755300000000, -0.0001644900000000 ] - [ 0.0026332500000000, -0.0022250800000000, -0.0006102300000000 ] - [ 0.0028762900000000, 0.0034613500000000, -0.0009171000000000 ] - [ 0.0002405300000000, -0.0016274900000000, 0.0001434300000000 ] - [ 0.0003135000000000, 0.0001796200000000, -0.0002355100000000 ] - [ 0.0002995700000000, -0.0001653600000000, -0.0001689400000000 ] - [ 0.0004708800000000, 0.0001989500000000, 0.0003469500000000 ] - [ 0.0008355000000000, -0.0000606300000000, 0.0006606500000000 ] - [ 0.0001268900000000, 0.0006129700000000, 0.0000986400000000 ] - [ 0.0029892400000000, -0.0036199800000000, 0.0004484400000000 ] - [ 0.0007602400000000, 0.0002487000000000, 0.0001281500000000 ] - [ 0.0003784300000000, -0.0005808600000000, 0.0000881000000000 ] - [ 0.0010801800000000, 0.0015577400000000, -0.0001761800000000 ] - [ -0.0004393900000000, -0.0004582300000000, -0.0004716500000000 ] - [ 0.0014370700000000, 0.0008790000000000, 0.0010518600000000 ] - [ 0.0000244900000000, -0.0000914400000000, 0.0000291800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002562800000000, 0.0022783600000000, 0.0004551100000000 ] - [ 0.0000566700000000, -0.0010957900000000, 0.0001860100000000 ] - [ 0.0013433100000000, -0.0005458100000000, 0.0012189600000000 ] - [ -0.0010824200000000, -0.0006196300000000, 0.0003784500000000 ] - [ -0.0013433100000000, -0.0005458100000000, -0.0012189600000000 ] - [ 0.0010824200000000, -0.0006196300000000, -0.0003784500000000 ] - [ -0.0002562800000000, 0.0022783600000000, -0.0004551100000000 ] - [ -0.0000566700000000, -0.0010957900000000, -0.0001860100000000 ] - [ 0.0005147200000000, -0.0006261300000000, 0.0001549600000000 ] - [ 0.0001507700000000, 0.0005841000000000, -0.0003830600000000 ] - [ 0.0001981600000000, 0.0015022000000000, 0.0000660800000000 ] - [ -0.0002803000000000, -0.0006822000000000, -0.0000351400000000 ] - [ -0.0000725700000000, -0.0004127600000000, 0.0000228100000000 ] - [ -0.0002369400000000, 0.0004913000000000, -0.0001859700000000 ] - [ -0.0005537200000000, -0.0022065000000000, 0.0003005100000000 ] - [ -0.0024461600000000, 0.0010067200000000, 0.0005337000000000 ] - [ 0.0005074700000000, -0.0000642700000000, 0.0001652200000000 ] - [ -0.0005595500000000, -0.0001104500000000, -0.0006969000000000 ] - [ 0.0004326300000000, -0.0008325400000000, 0.0003082000000000 ] - [ -0.0017223600000000, 0.0015079600000000, 0.0026050700000000 ] - [ 0.0000707200000000, 0.0006299900000000, 0.0000831900000000 ] - [ -0.0001450600000000, -0.0005566700000000, -0.0000383900000000 ] - [ 0.0004709300000000, 0.0003608000000000, -0.0000857000000000 ] - [ 0.0002563200000000, -0.0004345500000000, -0.0000697400000000 ] - [ 0.0011886600000000, 0.0003645500000000, 0.0010525500000000 ] - [ -0.0001580100000000, -0.0015297700000000, -0.0001625400000000 ] - [ 0.0009612400000000, -0.0003516400000000, -0.0004166300000000 ] - [ -0.0005158300000000, -0.0002200200000000, -0.0003200000000000 ] - [ 0.0000121200000000, 0.0005503500000000, -0.0001197600000000 ] - [ 0.0003364000000000, -0.0003955900000000, -0.0000144400000000 ] - [ 0.0025787500000000, 0.0017794100000000, 0.0036856600000000 ] - [ -0.0002191100000000, -0.0016093100000000, 0.0003928900000000 ] - [ -0.0011886600000000, 0.0003645500000000, -0.0010525500000000 ] - [ 0.0001580100000000, -0.0015297700000000, 0.0001625400000000 ] - [ -0.0005074700000000, -0.0000642700000000, -0.0001652200000000 ] - [ 0.0005595500000000, -0.0001104500000000, 0.0006969000000000 ] - [ -0.0025787500000000, 0.0017794100000000, -0.0036856600000000 ] - [ 0.0002191100000000, -0.0016093100000000, -0.0003928900000000 ] - [ -0.0004709300000000, 0.0003608000000000, 0.0000857000000000 ] - [ -0.0002563200000000, -0.0004345500000000, 0.0000697400000000 ] - [ -0.0001981600000000, 0.0015022000000000, -0.0000660800000000 ] - [ 0.0002803000000000, -0.0006822000000000, 0.0000351400000000 ] - [ -0.0000707200000000, 0.0006299900000000, -0.0000831900000000 ] - [ 0.0001450600000000, -0.0005566700000000, 0.0000383900000000 ] - [ -0.0004326300000000, -0.0008325400000000, -0.0003082000000000 ] - [ 0.0017223600000000, 0.0015079600000000, -0.0026050700000000 ] - [ 0.0005537200000000, -0.0022065000000000, -0.0003005100000000 ] - [ 0.0024461600000000, 0.0010067200000000, -0.0005337000000000 ] - [ -0.0005147200000000, -0.0006261300000000, -0.0001549600000000 ] - [ -0.0001507700000000, 0.0005841000000000, 0.0003830600000000 ] - [ -0.0000121200000000, 0.0005503500000000, 0.0001197600000000 ] - [ -0.0003364000000000, -0.0003955900000000, 0.0000144400000000 ] - [ -0.0009612400000000, -0.0003516400000000, 0.0004166300000000 ] - [ 0.0005158300000000, -0.0002200200000000, 0.0003200000000000 ] - [ 0.0000725700000000, -0.0004127600000000, -0.0000228100000000 ] - [ 0.0002369400000000, 0.0004913000000000, 0.0001859700000000 ] - [ 0.0000000000000000, -0.0201966500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008258700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005759100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001742200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001949000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001944200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001641700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0042308300000000, 0.0000000000000000 ] - [ -0.0000532500000000, 0.0002598800000000, -0.0001468900000000 ] - [ 0.0028728300000000, 0.0033716500000000, 0.0004071800000000 ] - [ -0.0001838500000000, 0.0007183600000000, -0.0002573500000000 ] - [ 0.0020876100000000, 0.0000680400000000, -0.0000382400000000 ] - [ -0.0007440200000000, -0.0005588300000000, -0.0001214100000000 ] - [ 0.0003146900000000, 0.0008463900000000, 0.0002836200000000 ] - [ -0.0041689300000000, 0.0054698200000000, 0.0009048700000000 ] - [ 0.0000623800000000, 0.0011092800000000, 0.0002916000000000 ] - [ -0.0012666200000000, -0.0034972900000000, 0.0003264500000000 ] - [ 0.0001703600000000, 0.0012985100000000, -0.0002257000000000 ] - [ -0.0002366800000000, 0.0000121900000000, -0.0002124500000000 ] - [ 0.0006145100000000, -0.0000933300000000, -0.0001076500000000 ] - [ -0.0002335900000000, -0.0004653300000000, -0.0002894300000000 ] - [ 0.0001300300000000, 0.0004740900000000, -0.0002343300000000 ] - [ 0.0000590900000000, -0.0003916700000000, -0.0000261500000000 ] - [ 0.0001239100000000, 0.0004777100000000, -0.0001375200000000 ] - [ 0.0008397300000000, -0.0026076300000000, -0.0001419700000000 ] - [ -0.0000915000000000, 0.0011040300000000, -0.0001464800000000 ] - [ -0.0015602100000000, -0.0000071300000000, -0.0008730700000000 ] - [ 0.0002354800000000, 0.0006793200000000, 0.0001331500000000 ] - [ -0.0002789100000000, -0.0008010000000000, -0.0002492200000000 ] - [ -0.0003101700000000, 0.0004313900000000, -0.0002357900000000 ] - [ -0.0004743700000000, 0.0016790900000000, 0.0000283700000000 ] - [ 0.0010818200000000, -0.0011518800000000, -0.0000244600000000 ] - [ -0.0003309500000000, 0.0004822200000000, -0.0004031200000000 ] - [ -0.0000648500000000, -0.0004593500000000, -0.0000330900000000 ] - [ -0.0013079200000000, 0.0000704800000000, -0.0006720000000000 ] - [ 0.0003769600000000, 0.0002129400000000, 0.0000379600000000 ] - [ 0.0002789100000000, -0.0008010000000000, 0.0002492200000000 ] - [ 0.0003101700000000, 0.0004313900000000, 0.0002357900000000 ] - [ 0.0002335900000000, -0.0004653300000000, 0.0002894300000000 ] - [ -0.0001300300000000, 0.0004740900000000, 0.0002343300000000 ] - [ 0.0004743700000000, 0.0016790900000000, -0.0000283700000000 ] - [ -0.0010818200000000, -0.0011518800000000, 0.0000244600000000 ] - [ -0.0000590900000000, -0.0003916700000000, 0.0000261500000000 ] - [ -0.0001239100000000, 0.0004777100000000, 0.0001375200000000 ] - [ 0.0002366800000000, 0.0000121900000000, 0.0002124500000000 ] - [ -0.0006145100000000, -0.0000933300000000, 0.0001076500000000 ] - [ 0.0012666200000000, -0.0034972900000000, -0.0003264500000000 ] - [ -0.0001703600000000, 0.0012985100000000, 0.0002257000000000 ] - [ 0.0001838500000000, 0.0007183600000000, 0.0002573500000000 ] - [ -0.0020876100000000, 0.0000680400000000, 0.0000382400000000 ] - [ 0.0041689300000000, 0.0054698200000000, -0.0009048700000000 ] - [ -0.0000623800000000, 0.0011092800000000, -0.0002916000000000 ] - [ 0.0013079200000000, 0.0000704800000000, 0.0006720000000000 ] - [ -0.0003769600000000, 0.0002129400000000, -0.0000379600000000 ] - [ 0.0003309500000000, 0.0004822200000000, 0.0004031200000000 ] - [ 0.0000648500000000, -0.0004593500000000, 0.0000330900000000 ] - [ 0.0000532500000000, 0.0002598800000000, 0.0001468900000000 ] - [ -0.0028728300000000, 0.0033716500000000, -0.0004071800000000 ] - [ 0.0007440200000000, -0.0005588300000000, 0.0001214100000000 ] - [ -0.0003146900000000, 0.0008463900000000, -0.0002836200000000 ] - [ 0.0015602100000000, -0.0000071300000000, 0.0008730700000000 ] - [ -0.0002354800000000, 0.0006793200000000, -0.0001331500000000 ] - [ -0.0008397300000000, -0.0026076300000000, 0.0001419700000000 ] - [ 0.0000915000000000, 0.0011040300000000, 0.0001464800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002361000000000, -0.0022911300000000, -0.0004542600000000 ] - [ -0.0000468400000000, 0.0010991100000000, -0.0001987600000000 ] - [ -0.0013408200000000, 0.0005437000000000, -0.0012328800000000 ] - [ 0.0010791500000000, 0.0006225900000000, -0.0003801100000000 ] - [ 0.0013408200000000, 0.0005437000000000, 0.0012328800000000 ] - [ -0.0010791500000000, 0.0006225900000000, 0.0003801100000000 ] - [ 0.0002361000000000, -0.0022911300000000, 0.0004542600000000 ] - [ 0.0000468400000000, 0.0010991100000000, 0.0001987600000000 ] - [ -0.0001048900000000, 0.0006240500000000, -0.0001372700000000 ] - [ 0.0002538200000000, -0.0005808700000000, 0.0004025300000000 ] - [ -0.0006965900000000, -0.0014618600000000, -0.0000625100000000 ] - [ -0.0002225500000000, 0.0007178000000000, 0.0000337800000000 ] - [ -0.0002246500000000, 0.0004121000000000, -0.0002760600000000 ] - [ -0.0000591600000000, -0.0004911500000000, -0.0000701200000000 ] - [ -0.0001215800000000, 0.0022108800000000, -0.0000241800000000 ] - [ 0.0018061400000000, -0.0009654100000000, -0.0002921500000000 ] - [ -0.0000048800000000, 0.0001012100000000, -0.0001643900000000 ] - [ 0.0010633100000000, 0.0001424400000000, 0.0006994200000000 ] - [ -0.0001648700000000, 0.0008316200000000, -0.0001898200000000 ] - [ 0.0020760100000000, -0.0014407300000000, -0.0023970300000000 ] - [ -0.0003419100000000, -0.0006310900000000, -0.0002023100000000 ] - [ -0.0001288400000000, 0.0005577200000000, -0.0000806600000000 ] - [ 0.0002014300000000, -0.0003630700000000, -0.0001934300000000 ] - [ 0.0004176900000000, 0.0004382800000000, -0.0002102700000000 ] - [ -0.0015930200000000, -0.0003797200000000, -0.0010628500000000 ] - [ -0.0002525700000000, 0.0015325300000000, 0.0001412000000000 ] - [ -0.0014696300000000, 0.0003187200000000, 0.0004100500000000 ] - [ 0.0000148400000000, 0.0001834800000000, 0.0003215400000000 ] - [ 0.0004929100000000, -0.0005884000000000, 0.0001225000000000 ] - [ 0.0001657100000000, 0.0003644300000000, 0.0000144600000000 ] - [ -0.0022077000000000, -0.0018906300000000, -0.0035476700000000 ] - [ 0.0005093200000000, 0.0016103800000000, -0.0001389000000000 ] - [ 0.0015930200000000, -0.0003797200000000, 0.0010628500000000 ] - [ 0.0002525700000000, 0.0015325300000000, -0.0001412000000000 ] - [ 0.0000048800000000, 0.0001012100000000, 0.0001643900000000 ] - [ -0.0010633100000000, 0.0001424400000000, -0.0006994200000000 ] - [ 0.0022077000000000, -0.0018906300000000, 0.0035476700000000 ] - [ -0.0005093200000000, 0.0016103800000000, 0.0001389000000000 ] - [ -0.0002014300000000, -0.0003630700000000, 0.0001934300000000 ] - [ -0.0004176900000000, 0.0004382800000000, 0.0002102700000000 ] - [ 0.0006965900000000, -0.0014618600000000, 0.0000625100000000 ] - [ 0.0002225500000000, 0.0007178000000000, -0.0000337800000000 ] - [ 0.0003419100000000, -0.0006310900000000, 0.0002023100000000 ] - [ 0.0001288400000000, 0.0005577200000000, 0.0000806600000000 ] - [ 0.0001648700000000, 0.0008316200000000, 0.0001898200000000 ] - [ -0.0020760100000000, -0.0014407300000000, 0.0023970300000000 ] - [ 0.0001215800000000, 0.0022108800000000, 0.0000241800000000 ] - [ -0.0018061400000000, -0.0009654100000000, 0.0002921500000000 ] - [ 0.0001048900000000, 0.0006240500000000, 0.0001372700000000 ] - [ -0.0002538200000000, -0.0005808700000000, -0.0004025300000000 ] - [ -0.0004929100000000, -0.0005884000000000, -0.0001225000000000 ] - [ -0.0001657100000000, 0.0003644300000000, -0.0000144600000000 ] - [ 0.0014696300000000, 0.0003187200000000, -0.0004100500000000 ] - [ -0.0000148400000000, 0.0001834800000000, -0.0003215400000000 ] - [ 0.0002246500000000, 0.0004121000000000, 0.0002760600000000 ] - [ 0.0000591600000000, -0.0004911500000000, 0.0000701200000000 ] - [ 0.0000000000000000, 0.0204643900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005548900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003046000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004480500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000784800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000781700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004366100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044013200000000, 0.0000000000000000 ] - [ 0.0002947900000000, -0.0005553200000000, 0.0002932100000000 ] - [ -0.0026387600000000, -0.0036720000000000, -0.0002680000000000 ] - [ 0.0001586600000000, -0.0007213300000000, 0.0006010400000000 ] - [ -0.0021165700000000, -0.0000760200000000, 0.0003821400000000 ] - [ 0.0007265600000000, 0.0005621100000000, 0.0002895900000000 ] - [ -0.0003325300000000, -0.0008491700000000, -0.0001155000000000 ] - [ 0.0040168800000000, -0.0053891100000000, -0.0008497900000000 ] - [ -0.0002390000000000, -0.0009967100000000, -0.0002329200000000 ] - [ 0.0010811700000000, 0.0034009200000000, -0.0002521100000000 ] - [ -0.0003450300000000, -0.0014194400000000, 0.0002825700000000 ] - [ 0.0004142400000000, -0.0001322300000000, 0.0001558700000000 ] - [ -0.0004389800000000, -0.0000282700000000, 0.0000518200000000 ] - [ 0.0002605600000000, 0.0004686200000000, -0.0000493600000000 ] - [ -0.0001025000000000, -0.0004760700000000, -0.0001052500000000 ] - [ 0.0001145500000000, 0.0005141900000000, -0.0000295700000000 ] - [ 0.0000531000000000, -0.0003580800000000, 0.0000801300000000 ] - [ -0.0006080400000000, 0.0029051500000000, 0.0002750300000000 ] - [ 0.0003334800000000, -0.0008090400000000, 0.0002925600000000 ] - [ 0.0018118700000000, 0.0000133600000000, 0.0013079400000000 ] - [ 0.0000123000000000, -0.0006812000000000, 0.0003007700000000 ] - [ 0.0000336700000000, 0.0005049600000000, 0.0001027000000000 ] - [ 0.0000723900000000, -0.0007317400000000, 0.0000916300000000 ] - [ 0.0004957800000000, -0.0016855000000000, -0.0002002600000000 ] - [ -0.0010625900000000, 0.0011520200000000, -0.0001426500000000 ] - [ 0.0000853200000000, -0.0004823800000000, -0.0000283700000000 ] - [ -0.0001844300000000, 0.0004594700000000, -0.0004016000000000 ] - [ 0.0010740000000000, 0.0002302300000000, 0.0005294600000000 ] - [ -0.0006183500000000, 0.0000832000000000, -0.0001825300000000 ] - [ -0.0000336700000000, 0.0005049600000000, -0.0001027000000000 ] - [ -0.0000723900000000, -0.0007317400000000, -0.0000916300000000 ] - [ -0.0002605600000000, 0.0004686200000000, 0.0000493600000000 ] - [ 0.0001025000000000, -0.0004760700000000, 0.0001052500000000 ] - [ -0.0004957800000000, -0.0016855000000000, 0.0002002600000000 ] - [ 0.0010625900000000, 0.0011520200000000, 0.0001426500000000 ] - [ -0.0001145500000000, 0.0005141900000000, 0.0000295700000000 ] - [ -0.0000531000000000, -0.0003580800000000, -0.0000801300000000 ] - [ -0.0004142400000000, -0.0001322300000000, -0.0001558700000000 ] - [ 0.0004389800000000, -0.0000282700000000, -0.0000518200000000 ] - [ -0.0010811700000000, 0.0034009200000000, 0.0002521100000000 ] - [ 0.0003450300000000, -0.0014194400000000, -0.0002825700000000 ] - [ -0.0001586600000000, -0.0007213300000000, -0.0006010400000000 ] - [ 0.0021165700000000, -0.0000760200000000, -0.0003821400000000 ] - [ -0.0040168800000000, -0.0053891100000000, 0.0008497900000000 ] - [ 0.0002390000000000, -0.0009967100000000, 0.0002329200000000 ] - [ -0.0010740000000000, 0.0002302300000000, -0.0005294600000000 ] - [ 0.0006183500000000, 0.0000832000000000, 0.0001825300000000 ] - [ -0.0000853200000000, -0.0004823800000000, 0.0000283700000000 ] - [ 0.0001844300000000, 0.0004594700000000, 0.0004016000000000 ] - [ -0.0002947900000000, -0.0005553200000000, -0.0002932100000000 ] - [ 0.0026387600000000, -0.0036720000000000, 0.0002680000000000 ] - [ -0.0007265600000000, 0.0005621100000000, -0.0002895900000000 ] - [ 0.0003325300000000, -0.0008491700000000, 0.0001155000000000 ] - [ -0.0018118700000000, 0.0000133600000000, -0.0013079400000000 ] - [ -0.0000123000000000, -0.0006812000000000, -0.0003007700000000 ] - [ 0.0006080400000000, 0.0029051500000000, -0.0002750300000000 ] - [ -0.0003334800000000, -0.0008090400000000, -0.0002925600000000 ]- atom: 57 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ 0.0013640000000000, 0.0000900800000000, 0.0006502700000000 ] - [ 0.0000940600000000, -0.0000921800000000, 0.0001220400000000 ] - [ 0.0008938000000000, -0.0004309800000000, 0.0008868800000000 ] - [ 0.0003787400000000, 0.0003695500000000, 0.0008092700000000 ] - [ 0.0008857000000000, 0.0004306700000000, 0.0008995800000000 ] - [ 0.0003842600000000, -0.0003667400000000, 0.0008218500000000 ] - [ 0.0013518200000000, -0.0000987800000000, 0.0006584200000000 ] - [ 0.0000841500000000, 0.0000918700000000, 0.0001359100000000 ] - [ 0.0003079200000000, -0.0000816000000000, 0.0000293500000000 ] - [ 0.0004902100000000, 0.0001222000000000, 0.0000723100000000 ] - [ 0.0004260400000000, -0.0002150900000000, -0.0022296100000000 ] - [ -0.0002675100000000, -0.0000247200000000, -0.0001619500000000 ] - [ -0.0000445600000000, -0.0000426800000000, -0.0000684400000000 ] - [ -0.0000589900000000, 0.0000599600000000, -0.0000318200000000 ] - [ -0.0008318200000000, -0.0011509900000000, 0.0002074800000000 ] - [ 0.0022704000000000, 0.0028383900000000, 0.0008233000000000 ] - [ 0.0002987900000000, 0.0000356500000000, 0.0000668900000000 ] - [ -0.0001839200000000, 0.0000287400000000, -0.0003496600000000 ] - [ 0.0000453700000000, -0.0000573100000000, 0.0001430000000000 ] - [ -0.0008434900000000, 0.0005210200000000, 0.0030590000000000 ] - [ 0.0000488500000000, 0.0000402200000000, -0.0000395100000000 ] - [ -0.0000254800000000, -0.0000046300000000, -0.0000596400000000 ] - [ 0.0004360400000000, 0.0000155800000000, 0.0000215800000000 ] - [ 0.0003146100000000, -0.0000214600000000, -0.0000653500000000 ] - [ -0.0009721400000000, 0.0004965100000000, 0.0007528400000000 ] - [ -0.0001006700000000, -0.0005240300000000, 0.0001147400000000 ] - [ 0.0005994400000000, 0.0000310300000000, -0.0016917200000000 ] - [ 0.0001745700000000, 0.0001962700000000, -0.0009949100000000 ] - [ 0.0001574900000000, -0.0000040700000000, -0.0000504800000000 ] - [ 0.0002787000000000, -0.0000948300000000, 0.0000137400000000 ] - [ 0.0016110100000000, -0.0003319300000000, 0.0038047900000000 ] - [ -0.0003439000000000, 0.0004715000000000, 0.0004208300000000 ] - [ -0.0005731000000000, -0.0005086500000000, 0.0007593500000000 ] - [ 0.0003076500000000, 0.0005303300000000, 0.0001368100000000 ] - [ -0.0002034700000000, 0.0000019000000000, 0.0000667200000000 ] - [ -0.0006902600000000, 0.0000063200000000, -0.0003511700000000 ] - [ 0.0012513000000000, 0.0002292000000000, 0.0036224700000000 ] - [ -0.0006512900000000, -0.0004742200000000, 0.0001714700000000 ] - [ -0.0002354100000000, -0.0000159100000000, 0.0003024000000000 ] - [ -0.0003567200000000, 0.0000228400000000, 0.0002168200000000 ] - [ 0.0009360200000000, 0.0002558200000000, -0.0022342500000000 ] - [ 0.0002356200000000, 0.0000584000000000, -0.0001626500000000 ] - [ 0.0003244500000000, -0.0000356200000000, 0.0000793500000000 ] - [ 0.0002526900000000, 0.0000019500000000, 0.0000582600000000 ] - [ -0.0002256100000000, 0.0000554200000000, 0.0000255800000000 ] - [ -0.0011694700000000, -0.0004852400000000, 0.0029413300000000 ] - [ -0.0001569100000000, 0.0011511900000000, -0.0000696500000000 ] - [ 0.0029240900000000, -0.0028188400000000, 0.0006181300000000 ] - [ -0.0001007700000000, 0.0000796900000000, 0.0000101300000000 ] - [ 0.0000924100000000, -0.0001219900000000, 0.0000523300000000 ] - [ -0.0003479300000000, -0.0000343000000000, -0.0000523700000000 ] - [ -0.0002233900000000, 0.0000604500000000, 0.0000154800000000 ] - [ 0.0011050200000000, -0.0000649200000000, -0.0016865100000000 ] - [ 0.0006860100000000, -0.0002372600000000, -0.0010043200000000 ] - [ 0.0002543300000000, 0.0000413900000000, 0.0001879300000000 ] - [ 0.0002405400000000, -0.0000598200000000, 0.0002283100000000 ] - [ 0.0078089300000000, 0.0002320800000000, -0.0120759700000000 ] - [ 0.0002340600000000, 0.0001371100000000, -0.0002018800000000 ] - [ -0.0001030900000000, -0.0001367500000000, -0.0000546800000000 ] - [ -0.0000628300000000, -0.0001369900000000, -0.0000227500000000 ] - [ -0.0000776500000000, 0.0001371300000000, -0.0000172200000000 ] - [ -0.0000498600000000, 0.0001368700000000, -0.0000022100000000 ] - [ 0.0008310300000000, -0.0001380400000000, -0.0007482800000000 ] - [ 0.0001840100000000, -0.0001464300000000, -0.0003395700000000 ] - [ 0.0001891500000000, -0.0002071100000000, -0.0001668800000000 ] - [ 0.0017659100000000, 0.0017662400000000, 0.0002763600000000 ] - [ 0.0001116400000000, 0.0002911000000000, -0.0001544500000000 ] - [ -0.0012180000000000, -0.0012624600000000, -0.0013088400000000 ] - [ 0.0001541300000000, -0.0000569700000000, 0.0000471700000000 ] - [ 0.0001188700000000, 0.0003040600000000, 0.0001707700000000 ] - [ -0.0042100500000000, 0.0048727900000000, 0.0015487300000000 ] - [ -0.0011325700000000, -0.0022292700000000, -0.0001054500000000 ] - [ -0.0026630900000000, -0.0005947700000000, 0.0017592400000000 ] - [ -0.0001949200000000, 0.0000013100000000, 0.0000741000000000 ] - [ -0.0000404600000000, -0.0000267700000000, -0.0002066200000000 ] - [ 0.0002701000000000, -0.0001057800000000, -0.0002170400000000 ] - [ -0.0003335900000000, 0.0000073300000000, -0.0002087200000000 ] - [ -0.0001276400000000, -0.0000764800000000, -0.0002176800000000 ] - [ 0.0000207500000000, 0.0000475000000000, -0.0001950500000000 ] - [ 0.0000873700000000, 0.0000811100000000, -0.0000970200000000 ] - [ 0.0004533600000000, -0.0005606000000000, -0.0002661800000000 ] - [ 0.0001282800000000, 0.0002580400000000, -0.0000302200000000 ] - [ -0.0007060400000000, 0.0002126800000000, -0.0012097300000000 ] - [ 0.0001700300000000, -0.0000266200000000, -0.0001810100000000 ] - [ -0.0002934400000000, -0.0001432100000000, 0.0002719300000000 ] - [ -0.0001408600000000, -0.0000967100000000, -0.0000440600000000 ] - [ -0.0002616300000000, 0.0003176800000000, 0.0002980700000000 ] - [ -0.0016741200000000, 0.0002160600000000, 0.0007382600000000 ] - [ -0.0002885800000000, 0.0001454700000000, -0.0002531300000000 ] - [ -0.0003840900000000, -0.0000860900000000, -0.0001797300000000 ] - [ -0.0004326700000000, 0.0001237000000000, 0.0001877300000000 ] - [ -0.0001725700000000, 0.0000494700000000, 0.0000642000000000 ] - [ -0.0000604300000000, -0.0001524100000000, 0.0004129100000000 ] - [ 0.0000969600000000, -0.0002010700000000, 0.0001021100000000 ] - [ -0.0003638200000000, -0.0000062300000000, 0.0001272600000000 ] - [ -0.0001594200000000, 0.0000754300000000, 0.0001194400000000 ] - [ -0.0002811600000000, -0.0003230600000000, 0.0004703300000000 ] - [ -0.0017161600000000, -0.0002189800000000, 0.0009130800000000 ] - [ -0.0001527500000000, 0.0000718500000000, -0.0001414900000000 ] - [ -0.0000886100000000, 0.0000371900000000, -0.0000411700000000 ] - [ -0.0002162300000000, -0.0000910200000000, -0.0001518900000000 ] - [ 0.0000961800000000, -0.0000144600000000, -0.0001627600000000 ] - [ -0.0025120000000000, 0.0004634800000000, 0.0017120400000000 ] - [ -0.0000173800000000, -0.0001222000000000, 0.0000174100000000 ] - [ 0.0001391700000000, -0.0002926700000000, -0.0004964000000000 ] - [ -0.0011846900000000, 0.0012577700000000, -0.0016594200000000 ] - [ -0.0040552500000000, -0.0047731300000000, 0.0015019900000000 ] - [ -0.0009685900000000, 0.0023776600000000, -0.0001675400000000 ] - [ -0.0001978100000000, 0.0001748600000000, 0.0003337400000000 ] - [ 0.0000632300000000, 0.0002460800000000, 0.0002069600000000 ] - [ -0.0000422800000000, -0.0001450500000000, 0.0001799400000000 ] - [ -0.0001360200000000, 0.0000868100000000, 0.0002541600000000 ] - [ -0.0000505500000000, -0.0000849500000000, -0.0003150500000000 ] - [ 0.0015457000000000, -0.0020850000000000, 0.0001287600000000 ] - [ 0.0001762800000000, 0.0000594000000000, -0.0001230300000000 ] - [ 0.0001375300000000, -0.0003079900000000, 0.0000020500000000 ] - [ -0.0009481300000000, -0.0002025500000000, -0.0016515300000000 ] - [ -0.0000755100000000, 0.0000250700000000, -0.0006204800000000 ] - [ 0.0002249800000000, 0.0008660600000000, -0.0004094200000000 ] - [ -0.0001123900000000, 0.0000371500000000, -0.0001771200000000 ]- atom: 65 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ 0.0024717200000000, -0.0010477800000000, 0.0003502200000000 ] - [ 0.0030216600000000, 0.0001483800000000, 0.0002016700000000 ] - [ 0.0084139500000000, 0.0005142700000000, 0.0036135800000000 ] - [ 0.0009373900000000, -0.0002274500000000, 0.0003102700000000 ] - [ -0.0019020200000000, 0.0003602600000000, -0.0010543500000000 ] - [ -0.0006882400000000, -0.0002649200000000, -0.0003250800000000 ] - [ -0.0011188100000000, -0.0004590100000000, -0.0006427100000000 ] - [ -0.0013915700000000, 0.0003134500000000, -0.0005087700000000 ] - [ 0.0012079100000000, 0.0008093500000000, 0.0016685100000000 ] - [ 0.0007505100000000, -0.0002490500000000, 0.0003026700000000 ] - [ 0.0001217000000000, 0.0003523100000000, 0.0013795800000000 ] - [ -0.0001187100000000, -0.0001125500000000, 0.0016473900000000 ] - [ -0.0014879000000000, 0.0051244300000000, 0.0015700800000000 ] - [ -0.0000913700000000, -0.0009236100000000, 0.0002551400000000 ] - [ -0.0005859400000000, 0.0005541000000000, -0.0015239700000000 ] - [ -0.0004622100000000, -0.0000000100000000, 0.0000853000000000 ] - [ 0.0372271800000000, -0.0001440100000000, 0.0332453200000000 ] - [ 0.0006802400000000, -0.0001045900000000, 0.0003953000000000 ] - [ 0.0279006000000000, 0.0152953900000000, 0.0003801400000000 ] - [ -0.0002942200000000, 0.0007882200000000, -0.0001553900000000 ] - [ 0.0010340200000000, -0.0008390200000000, 0.0010532400000000 ] - [ 0.0004537500000000, 0.0000452000000000, 0.0002424200000000 ] - [ -0.0009471800000000, -0.0048175000000000, 0.0009543900000000 ] - [ 0.0006415100000000, 0.0004236700000000, -0.0000476800000000 ] - [ 0.0153823100000000, -0.0027772800000000, -0.0026996600000000 ] - [ 0.0004550800000000, -0.0016632700000000, 0.0003664100000000 ] - [ -0.0005477700000000, 0.0000989200000000, 0.0027861400000000 ] - [ 0.0000671300000000, -0.0000846500000000, 0.0002155000000000 ] - [ 0.0024611200000000, -0.0028847400000000, 0.0008081500000000 ] - [ 0.0022610700000000, 0.0010157900000000, 0.0016143200000000 ] - [ 0.0002704400000000, 0.0005759200000000, -0.0003764500000000 ] - [ 0.0005790700000000, -0.0011343000000000, -0.0000316300000000 ] - [ -0.0004861300000000, 0.0001159900000000, -0.0005362200000000 ] - [ -0.0004327500000000, -0.0003380100000000, -0.0004544500000000 ] - [ -0.0021404600000000, -0.0001135600000000, -0.0006111400000000 ] - [ -0.0004916600000000, -0.0000655300000000, -0.0001405500000000 ] - [ -0.0012792600000000, 0.0006084300000000, -0.0002596300000000 ] - [ -0.0010880300000000, -0.0010220700000000, 0.0000497400000000 ] - [ -0.0019571900000000, -0.0013005300000000, -0.0009759000000000 ] - [ -0.0004800200000000, 0.0002876100000000, 0.0002062800000000 ] - [ -0.0002463300000000, -0.0000131400000000, -0.0001997700000000 ] - [ -0.0003404700000000, 0.0000601400000000, -0.0003017300000000 ] - [ -0.0004894800000000, -0.0001777300000000, -0.0006067700000000 ] - [ -0.0002856900000000, 0.0001305100000000, -0.0001674300000000 ] - [ -0.0017930800000000, 0.0006055400000000, -0.0010489800000000 ] - [ -0.0006171700000000, -0.0002242000000000, -0.0003405700000000 ] - [ -0.0016117200000000, 0.0003508900000000, -0.0003939400000000 ] - [ 0.0000303500000000, -0.0000949100000000, -0.0002735300000000 ] - [ -0.0008430800000000, 0.0002872800000000, -0.0006655900000000 ] - [ -0.0005263700000000, -0.0002602300000000, -0.0002120100000000 ] - [ -0.0008683600000000, -0.0002739400000000, -0.0002263600000000 ] - [ -0.0007928600000000, 0.0002693800000000, -0.0003426300000000 ] - [ -0.0003974200000000, 0.0001425900000000, -0.0002391300000000 ] - [ -0.0001167700000000, -0.0001465500000000, -0.0001704700000000 ] - [ -0.0012874100000000, 0.0017457700000000, -0.0010341500000000 ] - [ 0.0000539600000000, -0.0006652500000000, -0.0000829300000000 ] - [ 0.0002484500000000, -0.0000388900000000, 0.0002139000000000 ] - [ 0.0031028000000000, 0.0028954700000000, 0.0035685400000000 ] - [ 0.0001786200000000, 0.0003618700000000, 0.0000352500000000 ] - [ 0.0001941400000000, -0.0013309900000000, -0.0002552800000000 ] - [ 0.0003144700000000, 0.0002942700000000, -0.0000311900000000 ] - [ -0.0000281200000000, 0.0003278400000000, -0.0000393100000000 ] - [ 0.0015531400000000, -0.0008626100000000, 0.0012246700000000 ] - [ 0.0001448600000000, 0.0000765900000000, 0.0000878100000000 ] - [ -0.0865292600000000, -0.0206717700000000, -0.0383586000000000 ] - [ -0.0006342200000000, -0.0002049000000000, -0.0003104400000000 ] - [ -0.0060444500000000, -0.0007878400000000, 0.0036671900000000 ] - [ -0.0002693700000000, -0.0000042600000000, 0.0004276100000000 ] - [ -0.0007366600000000, 0.0108267200000000, 0.0021696300000000 ] - [ -0.0009604300000000, 0.0000403300000000, -0.0004792200000000 ] - [ -0.0014213300000000, -0.0002152600000000, -0.0021270600000000 ] - [ -0.0004988900000000, 0.0005387800000000, 0.0000540900000000 ] - [ -0.0001223100000000, -0.0002507700000000, -0.0006224900000000 ] - [ 0.0001683300000000, 0.0001341100000000, -0.0005371500000000 ] - [ 0.0170718200000000, 0.0003837300000000, -0.0025694300000000 ] - [ -0.0003874300000000, 0.0001374600000000, -0.0000670900000000 ] - [ -0.0001058900000000, 0.0017273300000000, -0.0013200300000000 ] - [ -0.0005182200000000, 0.0001070500000000, -0.0004540400000000 ] - [ -0.0007726700000000, 0.0021991600000000, -0.0006354600000000 ] - [ -0.0017148500000000, -0.0015117700000000, 0.0004280500000000 ] - [ -0.0049717500000000, -0.0053628500000000, -0.0002887700000000 ] - [ -0.0076333300000000, 0.0032427400000000, -0.0027654000000000 ] - [ -0.0036561600000000, 0.0004953100000000, 0.0014359700000000 ] - [ -0.0002625000000000, 0.0004275100000000, 0.0002106300000000 ] - [ -0.0013478700000000, 0.0007537500000000, -0.0010801900000000 ] - [ -0.0013464100000000, -0.0006439100000000, -0.0006476500000000 ] - [ -0.0010152400000000, -0.0002430600000000, -0.0010641700000000 ] - [ -0.0005927400000000, -0.0003308800000000, -0.0004480100000000 ] - [ -0.0001867200000000, -0.0019875500000000, -0.0022190600000000 ] - [ -0.0005981600000000, 0.0001730500000000, -0.0006232200000000 ] - [ 0.0005199300000000, 0.0000720500000000, -0.0041819600000000 ] - [ -0.0007307500000000, 0.0001180300000000, -0.0003578000000000 ] - [ 0.0007715600000000, 0.0003746800000000, 0.0005617500000000 ] - [ 0.0007708700000000, -0.0003589700000000, 0.0004717000000000 ] - [ 0.0011245100000000, 0.0000234400000000, 0.0015262300000000 ] - [ 0.0002725500000000, -0.0000533600000000, 0.0002996000000000 ] - [ 0.0013064700000000, -0.0002051500000000, 0.0002428900000000 ] - [ 0.0004550200000000, 0.0001853000000000, 0.0002096600000000 ] - [ 0.0004971800000000, 0.0012143100000000, 0.0001203800000000 ] - [ 0.0006911700000000, -0.0008311500000000, -0.0002838900000000 ] - [ 0.0016406700000000, -0.0001249100000000, 0.0011819200000000 ] - [ 0.0002132500000000, 0.0001539800000000, 0.0000380900000000 ] - [ 0.0007489300000000, -0.0003731300000000, -0.0000087000000000 ] - [ 0.0007246000000000, 0.0002897200000000, 0.0000547200000000 ] - [ 0.0010768100000000, -0.0002764200000000, 0.0006002000000000 ] - [ 0.0003672100000000, 0.0001725300000000, 0.0001361400000000 ] - [ 0.0009408700000000, -0.0003936500000000, 0.0001301700000000 ] - [ 0.0006284500000000, 0.0005161000000000, -0.0000713600000000 ] - [ 0.0008625300000000, -0.0001594000000000, 0.0006855900000000 ] - [ 0.0006084400000000, 0.0001502300000000, 0.0003307000000000 ] - [ 0.0012635000000000, -0.0001744600000000, 0.0013581000000000 ] - [ 0.0003845900000000, 0.0002098800000000, 0.0005024000000000 ] - [ 0.0014784200000000, -0.0008082500000000, 0.0009824500000000 ] - [ 0.0002671600000000, -0.0000426100000000, 0.0001366900000000 ] - [ 0.0011259300000000, 0.0002938400000000, 0.0001155900000000 ] - [ 0.0005630900000000, -0.0002066800000000, 0.0001120300000000 ] - [ 0.0006557900000000, -0.0000464200000000, 0.0004205200000000 ] - [ 0.0004979100000000, 0.0001819000000000, 0.0001605900000000 ] - [ 0.0006215600000000, 0.0003251000000000, 0.0003825600000000 ] - [ 0.0008150900000000, 0.0004833100000000, 0.0005107500000000 ]- atom: 65 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ -0.0024395000000000, 0.0010525100000000, -0.0003615000000000 ] - [ -0.0030096500000000, -0.0001429500000000, -0.0002107500000000 ] - [ -0.0082877100000000, -0.0004885200000000, -0.0038871100000000 ] - [ -0.0009461700000000, 0.0002292300000000, -0.0003053900000000 ] - [ 0.0018953300000000, -0.0003674400000000, 0.0010614800000000 ] - [ 0.0006955100000000, 0.0002658400000000, 0.0003273800000000 ] - [ 0.0011256800000000, 0.0004513400000000, 0.0006338700000000 ] - [ 0.0013783500000000, -0.0003206200000000, 0.0005157900000000 ] - [ -0.0007972200000000, -0.0008135100000000, -0.0016527100000000 ] - [ -0.0003441300000000, 0.0002538600000000, -0.0002805700000000 ] - [ -0.0006199200000000, -0.0003080200000000, -0.0013723700000000 ] - [ -0.0003772600000000, 0.0001485000000000, -0.0016562100000000 ] - [ 0.0012025000000000, -0.0051097600000000, -0.0018182900000000 ] - [ -0.0002068000000000, 0.0009242500000000, -0.0005091100000000 ] - [ -0.0000931200000000, -0.0005530200000000, 0.0017941800000000 ] - [ -0.0002088400000000, 0.0000054300000000, 0.0001950500000000 ] - [ -0.0355011500000000, 0.0003107200000000, -0.0316790100000000 ] - [ -0.0001757500000000, 0.0001373400000000, -0.0003982300000000 ] - [ -0.0281179900000000, -0.0160911600000000, -0.0004757600000000 ] - [ 0.0005673500000000, -0.0007770400000000, 0.0002722800000000 ] - [ -0.0012951100000000, 0.0008372200000000, -0.0011729000000000 ] - [ -0.0007248000000000, -0.0000439400000000, -0.0003628600000000 ] - [ 0.0016332200000000, 0.0048000700000000, -0.0012277700000000 ] - [ 0.0000323800000000, -0.0004219200000000, -0.0002293200000000 ] - [ -0.0157652700000000, 0.0029807300000000, 0.0026853300000000 ] - [ -0.0008636000000000, 0.0016638200000000, -0.0003861200000000 ] - [ 0.0000513900000000, -0.0001343700000000, -0.0028081200000000 ] - [ -0.0005685400000000, 0.0000491500000000, -0.0002119400000000 ] - [ -0.0019495700000000, 0.0028537500000000, -0.0008003400000000 ] - [ -0.0017538200000000, -0.0010516300000000, -0.0016130600000000 ] - [ 0.0000117100000000, -0.0005838000000000, 0.0006180800000000 ] - [ -0.0002810500000000, 0.0011347300000000, 0.0002869500000000 ] - [ 0.0008883200000000, -0.0001172000000000, 0.0005508700000000 ] - [ 0.0008325100000000, 0.0003396000000000, 0.0004780600000000 ] - [ 0.0016328200000000, 0.0001546100000000, 0.0006141600000000 ] - [ -0.0000088300000000, 0.0001034400000000, 0.0001462500000000 ] - [ 0.0009784700000000, -0.0006130600000000, 0.0000034600000000 ] - [ 0.0007850700000000, 0.0010217000000000, -0.0003057300000000 ] - [ 0.0012838800000000, 0.0012883300000000, 0.0012488600000000 ] - [ -0.0001881300000000, -0.0002828100000000, 0.0000769300000000 ] - [ 0.0007435100000000, 0.0000546300000000, 0.0001917200000000 ] - [ 0.0008418200000000, -0.0000248900000000, 0.0002976300000000 ] - [ 0.0007621200000000, 0.0001811900000000, 0.0007236400000000 ] - [ 0.0005615700000000, -0.0001310300000000, 0.0002827900000000 ] - [ 0.0015190500000000, -0.0006067800000000, 0.0009292100000000 ] - [ 0.0003377700000000, 0.0002288100000000, 0.0002197300000000 ] - [ 0.0022847900000000, -0.0003534600000000, 0.0001150400000000 ] - [ 0.0006342900000000, 0.0001000100000000, -0.0000062400000000 ] - [ 0.0004335500000000, -0.0002897900000000, 0.0006423200000000 ] - [ 0.0001260000000000, 0.0002600500000000, 0.0001871900000000 ] - [ 0.0003664500000000, 0.0002315100000000, 0.0002273100000000 ] - [ 0.0002903600000000, -0.0003050100000000, 0.0003494100000000 ] - [ 0.0008983700000000, -0.0001796500000000, 0.0002377500000000 ] - [ 0.0006171000000000, 0.0001071700000000, 0.0001617000000000 ] - [ 0.0015837100000000, -0.0017384300000000, 0.0012819000000000 ] - [ 0.0002449500000000, 0.0006656200000000, 0.0003420800000000 ] - [ -0.0002459000000000, 0.0003112000000000, -0.0002111400000000 ] - [ -0.0031041200000000, -0.0026166100000000, -0.0035648600000000 ] - [ -0.0001784300000000, -0.0006352900000000, -0.0000343900000000 ] - [ -0.0001904800000000, 0.0010518900000000, 0.0002524600000000 ] - [ -0.0003110700000000, -0.0000178500000000, 0.0000304200000000 ] - [ 0.0000283500000000, -0.0000536700000000, 0.0000396700000000 ] - [ -0.0015679000000000, 0.0005830800000000, -0.0012356700000000 ] - [ -0.0001446600000000, -0.0003513800000000, -0.0000872500000000 ] - [ 0.0855959800000000, 0.0207720600000000, 0.0372960900000000 ] - [ 0.0008698300000000, -0.0000949500000000, 0.0004570400000000 ] - [ 0.0060419700000000, 0.0008244500000000, -0.0032953400000000 ] - [ 0.0002385300000000, 0.0000001500000000, -0.0000891700000000 ] - [ 0.0007229500000000, -0.0107789500000000, -0.0019737000000000 ] - [ 0.0009411800000000, -0.0000447000000000, 0.0006510100000000 ] - [ 0.0012307000000000, 0.0003393300000000, 0.0021945400000000 ] - [ 0.0003215100000000, -0.0004221700000000, 0.0000021500000000 ] - [ -0.0000515200000000, 0.0001285400000000, 0.0006778600000000 ] - [ -0.0003490900000000, -0.0002505200000000, 0.0005975900000000 ] - [ -0.0166456200000000, -0.0005026600000000, 0.0025479500000000 ] - [ 0.0005624400000000, -0.0002580900000000, 0.0000100600000000 ] - [ 0.0001248800000000, -0.0017286000000000, 0.0009791100000000 ] - [ 0.0005463500000000, -0.0001087500000000, 0.0001141500000000 ] - [ 0.0009392500000000, -0.0020723100000000, 0.0005770900000000 ] - [ 0.0018879900000000, 0.0016267200000000, -0.0004835000000000 ] - [ 0.0051848900000000, 0.0056522600000000, 0.0004270300000000 ] - [ 0.0079043100000000, -0.0029522600000000, 0.0029253300000000 ] - [ 0.0039058900000000, -0.0005297200000000, -0.0009505800000000 ] - [ 0.0005081900000000, -0.0004290300000000, 0.0002224200000000 ] - [ 0.0011012100000000, -0.0010475900000000, 0.0009320100000000 ] - [ 0.0011051600000000, 0.0003470000000000, 0.0005034700000000 ] - [ 0.0010281800000000, 0.0002441300000000, 0.0008926500000000 ] - [ 0.0006078800000000, 0.0003262000000000, 0.0002748700000000 ] - [ -0.0000653100000000, 0.0019961300000000, 0.0017839600000000 ] - [ 0.0003475700000000, -0.0001752900000000, 0.0001869100000000 ] - [ -0.0007579800000000, 0.0002248500000000, 0.0040438700000000 ] - [ 0.0004885500000000, 0.0001752300000000, 0.0002108300000000 ] - [ -0.0005291400000000, -0.0006685600000000, -0.0004138300000000 ] - [ -0.0005304900000000, 0.0000612900000000, -0.0003224300000000 ] - [ -0.0011532700000000, -0.0000217200000000, -0.0011853600000000 ] - [ -0.0003031500000000, 0.0000530300000000, 0.0000391400000000 ] - [ -0.0013220200000000, 0.0002060500000000, -0.0000696100000000 ] - [ -0.0004727900000000, -0.0001865000000000, -0.0000385600000000 ] - [ -0.0006706900000000, -0.0010936700000000, -0.0000650600000000 ] - [ -0.0008647100000000, 0.0009480900000000, 0.0003412500000000 ] - [ -0.0018111900000000, 0.0000083200000000, -0.0011221500000000 ] - [ -0.0003884600000000, -0.0002736100000000, 0.0000173300000000 ] - [ -0.0005726600000000, 0.0002545800000000, -0.0000468500000000 ] - [ -0.0005477500000000, -0.0004094500000000, -0.0001118000000000 ] - [ -0.0010482400000000, 0.0002755800000000, -0.0009384400000000 ] - [ -0.0003365100000000, -0.0001730000000000, -0.0004726500000000 ] - [ -0.0007634900000000, 0.0005158000000000, -0.0001847800000000 ] - [ -0.0004517300000000, -0.0003986900000000, 0.0000144000000000 ] - [ -0.0006201700000000, 0.0004570300000000, -0.0005369500000000 ] - [ -0.0003659700000000, 0.0001443400000000, -0.0001852000000000 ] - [ -0.0010139200000000, 0.0001743500000000, -0.0009201800000000 ] - [ -0.0001361700000000, -0.0002090600000000, -0.0000644400000000 ] - [ -0.0017176600000000, 0.0005128400000000, -0.0011261000000000 ] - [ -0.0005075600000000, -0.0002549000000000, -0.0002805900000000 ] - [ -0.0011044100000000, -0.0002920400000000, -0.0002857700000000 ] - [ -0.0005436700000000, 0.0002048900000000, -0.0002806200000000 ] - [ -0.0009031400000000, 0.0000470200000000, -0.0008525900000000 ] - [ -0.0007432400000000, -0.0001833100000000, -0.0005955600000000 ] - [ -0.0008597400000000, -0.0000277100000000, -0.0005298600000000 ] - [ -0.0010556900000000, -0.0001891800000000, -0.0006546700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027331600000000, -0.0022970900000000, 0.0018660800000000 ] - [ 0.0031971400000000, -0.0028813500000000, -0.0013742100000000 ] - [ 0.0000729000000000, 0.0105537500000000, 0.0002875300000000 ] - [ 0.0002447400000000, -0.0022161500000000, -0.0000120400000000 ] - [ -0.0004491700000000, 0.0010712800000000, -0.0001227200000000 ] - [ -0.0001738700000000, -0.0008488900000000, -0.0000722300000000 ] - [ 0.0000262300000000, -0.0000199000000000, 0.0000493200000000 ] - [ -0.0006998500000000, -0.0002152100000000, -0.0002281300000000 ] - [ -0.0002111900000000, 0.0010803700000000, 0.0008892800000000 ] - [ 0.0002915600000000, -0.0011789300000000, -0.0001580900000000 ] - [ -0.0000839100000000, -0.0011557600000000, -0.0018077000000000 ] - [ -0.0003094500000000, -0.0001463800000000, 0.0013884500000000 ] - [ 0.0008777500000000, 0.0011497800000000, 0.0002859900000000 ] - [ -0.0008942000000000, -0.0013795500000000, -0.0001324200000000 ] - [ -0.0013912700000000, 0.0020849400000000, -0.0031062700000000 ] - [ 0.0000778700000000, -0.0016583600000000, 0.0005166400000000 ] - [ 0.0010264800000000, 0.0096557600000000, -0.0010480800000000 ] - [ 0.0002250100000000, -0.0013476800000000, 0.0003439400000000 ] - [ 0.0180081600000000, 0.0228831300000000, -0.0021374600000000 ] - [ 0.0014737800000000, -0.0036368500000000, 0.0008735700000000 ] - [ -0.0004478600000000, 0.0011230800000000, -0.0007397800000000 ] - [ 0.0001145000000000, -0.0010343300000000, 0.0000030400000000 ] - [ -0.0020111700000000, 0.0017676400000000, 0.0005957900000000 ] - [ 0.0006582900000000, -0.0010435300000000, -0.0001677300000000 ] - [ -0.0141601600000000, 0.0095847300000000, 0.0043750800000000 ] - [ 0.0002189200000000, -0.0042293200000000, 0.0001496000000000 ] - [ -0.0000601600000000, 0.0022554500000000, -0.0001999400000000 ] - [ -0.0000008600000000, -0.0011037800000000, 0.0003525500000000 ] - [ -0.0013156800000000, -0.0018228300000000, -0.0015327600000000 ] - [ 0.0027688700000000, -0.0015206600000000, 0.0022518100000000 ] - [ 0.0027985600000000, 0.0023524600000000, 0.0033138100000000 ] - [ 0.0004768500000000, -0.0023130600000000, -0.0003030500000000 ] - [ 0.0001988000000000, 0.0006814400000000, 0.0000248400000000 ] - [ -0.0002505600000000, -0.0008178600000000, -0.0003191500000000 ] - [ -0.0005213300000000, 0.0003462800000000, -0.0002012100000000 ] - [ -0.0003063100000000, -0.0002928300000000, -0.0000281300000000 ] - [ 0.0009896300000000, 0.0014402100000000, 0.0003177400000000 ] - [ -0.0010633000000000, -0.0017686300000000, 0.0001689900000000 ] - [ -0.0008343300000000, 0.0005102900000000, -0.0000802200000000 ] - [ -0.0003059100000000, -0.0004741800000000, 0.0002501000000000 ] - [ 0.0005423500000000, -0.0000695800000000, 0.0002173000000000 ] - [ -0.0002471400000000, -0.0000881000000000, -0.0003611600000000 ] - [ -0.0001197200000000, 0.0004549300000000, -0.0001252900000000 ] - [ 0.0000227100000000, -0.0004450100000000, 0.0000150400000000 ] - [ -0.0012097800000000, 0.0010056800000000, -0.0007442700000000 ] - [ 0.0002649300000000, -0.0006027400000000, 0.0001362000000000 ] - [ -0.0015694800000000, 0.0009801800000000, -0.0005146400000000 ] - [ 0.0008257500000000, -0.0007649700000000, -0.0000284800000000 ] - [ -0.0004742700000000, 0.0003585700000000, -0.0001882100000000 ] - [ -0.0002488700000000, -0.0003601900000000, -0.0000857400000000 ] - [ -0.0005318200000000, 0.0000207400000000, -0.0001649800000000 ] - [ -0.0003271800000000, -0.0000878400000000, -0.0000834200000000 ] - [ 0.0000564500000000, 0.0006137600000000, -0.0000847600000000 ] - [ 0.0002030000000000, -0.0004334700000000, 0.0000018400000000 ] - [ 0.0002009200000000, 0.0004954500000000, 0.0001203100000000 ] - [ -0.0003453200000000, -0.0005653300000000, -0.0000814100000000 ] - [ -0.0007626800000000, 0.0005459000000000, -0.0004845800000000 ] - [ 0.0034568700000000, 0.0036531200000000, 0.0040619200000000 ] - [ 0.0003139800000000, -0.0000740800000000, 0.0000582400000000 ] - [ -0.0000304100000000, -0.0002109300000000, -0.0000451500000000 ] - [ 0.0002125400000000, -0.0005189600000000, 0.0001093500000000 ] - [ 0.0000199500000000, 0.0007185500000000, -0.0000482800000000 ] - [ 0.0007226200000000, -0.0028904100000000, 0.0012011200000000 ] - [ -0.0002404400000000, 0.0008207100000000, -0.0002553100000000 ] - [ -0.0197187400000000, -0.0709046300000000, -0.0124752800000000 ] - [ 0.0000677400000000, 0.0023165500000000, 0.0003014900000000 ] - [ -0.0011109000000000, 0.0022312600000000, 0.0112021900000000 ] - [ -0.0002148400000000, 0.0014227100000000, -0.0007318800000000 ] - [ 0.0096181700000000, 0.0073804100000000, 0.0075696500000000 ] - [ -0.0007705500000000, 0.0019898300000000, -0.0003323300000000 ] - [ -0.0001611500000000, -0.0024526800000000, -0.0004582200000000 ] - [ -0.0006027500000000, 0.0017173100000000, 0.0002477500000000 ] - [ -0.0013122700000000, 0.0005932700000000, 0.0003572900000000 ] - [ 0.0005313800000000, 0.0008354900000000, -0.0000471500000000 ] - [ -0.0000594700000000, -0.0041341900000000, -0.0003426100000000 ] - [ 0.0000318800000000, 0.0008727800000000, 0.0000584800000000 ] - [ 0.0005926000000000, -0.0009772600000000, -0.0004661600000000 ] - [ -0.0003899700000000, 0.0010196300000000, -0.0001804500000000 ] - [ 0.0024157100000000, 0.0004320100000000, -0.0010659800000000 ] - [ -0.0015405300000000, 0.0004133100000000, 0.0000963400000000 ] - [ 0.0056473200000000, 0.0089716000000000, -0.0005545800000000 ] - [ -0.0029878100000000, 0.0063433300000000, -0.0014823800000000 ] - [ -0.0001019800000000, 0.0043142900000000, -0.0096292300000000 ] - [ -0.0000721200000000, 0.0014650100000000, 0.0006263200000000 ] - [ 0.0003794800000000, 0.0001553800000000, 0.0002297800000000 ] - [ -0.0010170800000000, 0.0001627200000000, -0.0002932700000000 ] - [ -0.0000150800000000, -0.0017007600000000, -0.0003456400000000 ] - [ -0.0000026700000000, 0.0021604400000000, 0.0000332300000000 ] - [ -0.0004622700000000, -0.0014335200000000, -0.0006355300000000 ] - [ 0.0002324600000000, 0.0011670300000000, -0.0000720600000000 ] - [ -0.0001997500000000, -0.0012463100000000, -0.0006996300000000 ] - [ -0.0001469300000000, 0.0013244600000000, -0.0000350300000000 ] - [ -0.0000929600000000, -0.0000849400000000, -0.0000782100000000 ] - [ 0.0006385000000000, -0.0000824200000000, 0.0003809000000000 ] - [ 0.0003388100000000, -0.0002706700000000, 0.0005562700000000 ] - [ 0.0000407300000000, 0.0002840400000000, 0.0001326700000000 ] - [ 0.0009846900000000, -0.0005669700000000, 0.0001431600000000 ] - [ -0.0001004500000000, 0.0005682100000000, 0.0000938700000000 ] - [ 0.0000843200000000, 0.0000088500000000, 0.0001468300000000 ] - [ 0.0000145700000000, 0.0000765100000000, -0.0000648000000000 ] - [ 0.0000086400000000, -0.0007041700000000, 0.0000708800000000 ] - [ 0.0001211200000000, 0.0005047700000000, -0.0000499900000000 ] - [ -0.0001538900000000, 0.0000157100000000, -0.0001255100000000 ] - [ 0.0004161800000000, 0.0003922600000000, 0.0000591000000000 ] - [ 0.0007081300000000, -0.0003711100000000, 0.0004533500000000 ] - [ -0.0002327700000000, 0.0002968500000000, -0.0003457200000000 ] - [ -0.0000911000000000, -0.0015441600000000, 0.0001886900000000 ] - [ 0.0004561000000000, 0.0012071200000000, -0.0002030400000000 ] - [ 0.0004257100000000, -0.0003705900000000, 0.0002303600000000 ] - [ 0.0001158800000000, 0.0005245600000000, 0.0000533300000000 ] - [ 0.0001281000000000, -0.0002257000000000, 0.0002390400000000 ] - [ 0.0003961400000000, 0.0002261700000000, 0.0004394100000000 ] - [ 0.0005331300000000, -0.0012015100000000, 0.0002749000000000 ] - [ -0.0002285600000000, 0.0005788500000000, -0.0001168100000000 ] - [ 0.0001917200000000, -0.0004211800000000, -0.0000698200000000 ] - [ 0.0002596800000000, 0.0004070900000000, 0.0000055700000000 ] - [ -0.0004461600000000, -0.0004110200000000, -0.0006582600000000 ] - [ 0.0003305500000000, 0.0004985400000000, -0.0000103800000000 ] - [ 0.0000536600000000, 0.0000571400000000, 0.0000086700000000 ] - [ 0.0002123600000000, 0.0004748400000000, 0.0002119300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027271300000000, 0.0022934900000000, -0.0018794100000000 ] - [ -0.0032037200000000, 0.0028808900000000, 0.0013678100000000 ] - [ -0.0000523800000000, -0.0105414200000000, -0.0003891100000000 ] - [ -0.0002614400000000, 0.0022140700000000, 0.0000142700000000 ] - [ 0.0004618300000000, -0.0010736700000000, 0.0001412900000000 ] - [ 0.0001866500000000, 0.0008470500000000, 0.0000761000000000 ] - [ -0.0000097700000000, 0.0000166200000000, -0.0000501500000000 ] - [ 0.0006950300000000, 0.0002008600000000, 0.0002370500000000 ] - [ 0.0006136700000000, -0.0010982400000000, -0.0008787300000000 ] - [ 0.0001107500000000, 0.0011801700000000, 0.0001748900000000 ] - [ -0.0004165700000000, 0.0011839800000000, 0.0017814100000000 ] - [ -0.0001914800000000, 0.0001814800000000, -0.0014032700000000 ] - [ -0.0011647300000000, -0.0011957400000000, -0.0005505800000000 ] - [ 0.0005928200000000, 0.0013823800000000, -0.0001239000000000 ] - [ 0.0007141800000000, -0.0020923500000000, 0.0033774500000000 ] - [ -0.0007462500000000, 0.0016527800000000, -0.0002362100000000 ] - [ -0.0006831300000000, -0.0096140800000000, 0.0008729700000000 ] - [ 0.0002739300000000, 0.0013774300000000, -0.0003463100000000 ] - [ -0.0187596700000000, -0.0239736800000000, 0.0019842600000000 ] - [ -0.0012034400000000, 0.0036280400000000, -0.0007533100000000 ] - [ 0.0001714700000000, -0.0011005300000000, 0.0006094500000000 ] - [ -0.0003905900000000, 0.0010284300000000, -0.0001270200000000 ] - [ 0.0026818300000000, -0.0017155000000000, -0.0008673900000000 ] - [ 0.0000118600000000, 0.0010370100000000, -0.0001090400000000 ] - [ 0.0131842400000000, -0.0083768300000000, -0.0042870600000000 ] - [ -0.0006308400000000, 0.0042428100000000, -0.0001695500000000 ] - [ -0.0004569500000000, -0.0022884000000000, 0.0001765100000000 ] - [ -0.0005023100000000, 0.0010639400000000, -0.0003519500000000 ] - [ 0.0018226800000000, 0.0017907700000000, 0.0015424000000000 ] - [ -0.0022814900000000, 0.0014890200000000, -0.0022576600000000 ] - [ -0.0025010300000000, -0.0023313900000000, -0.0030499200000000 ] - [ -0.0001819300000000, 0.0023119500000000, 0.0005589300000000 ] - [ 0.0002116300000000, -0.0006774600000000, -0.0000040600000000 ] - [ 0.0006565500000000, 0.0008169000000000, 0.0003448000000000 ] - [ 0.0000352400000000, -0.0003009900000000, 0.0002106400000000 ] - [ -0.0001921000000000, 0.0003293400000000, 0.0000334100000000 ] - [ -0.0012690900000000, -0.0014365000000000, -0.0005651700000000 ] - [ 0.0007675200000000, 0.0017694000000000, -0.0004235000000000 ] - [ 0.0001773900000000, -0.0004959300000000, 0.0003682900000000 ] - [ -0.0003621600000000, 0.0004724000000000, 0.0000312300000000 ] - [ -0.0000379600000000, 0.0001107800000000, -0.0002207400000000 ] - [ 0.0007537800000000, 0.0001229100000000, 0.0003605800000000 ] - [ 0.0003999200000000, -0.0004455400000000, 0.0002481900000000 ] - [ 0.0002566800000000, 0.0004397300000000, 0.0001041300000000 ] - [ 0.0009401000000000, -0.0010131100000000, 0.0006290600000000 ] - [ -0.0005344800000000, 0.0006050800000000, -0.0002536800000000 ] - [ 0.0022552800000000, -0.0009831800000000, 0.0002407600000000 ] - [ -0.0001538700000000, 0.0007665500000000, -0.0002484600000000 ] - [ 0.0000719300000000, -0.0003620100000000, 0.0001731300000000 ] - [ -0.0001482300000000, 0.0003603600000000, 0.0000631000000000 ] - [ 0.0000343000000000, -0.0000591700000000, 0.0001686100000000 ] - [ -0.0001708600000000, 0.0000473000000000, 0.0000920800000000 ] - [ 0.0004515900000000, -0.0006499500000000, 0.0000873600000000 ] - [ 0.0003009200000000, 0.0003929500000000, -0.0000064500000000 ] - [ 0.0001149500000000, -0.0005108200000000, 0.0001430400000000 ] - [ 0.0006413900000000, 0.0005688000000000, 0.0003404000000000 ] - [ 0.0007580700000000, -0.0002684200000000, 0.0004787300000000 ] - [ -0.0034670900000000, -0.0033897000000000, -0.0040720200000000 ] - [ -0.0003139500000000, -0.0002043700000000, -0.0000582400000000 ] - [ 0.0000315900000000, -0.0000513500000000, 0.0000462900000000 ] - [ -0.0002121300000000, 0.0007880400000000, -0.0001098300000000 ] - [ -0.0000185100000000, -0.0004436700000000, 0.0000490700000000 ] - [ -0.0007256500000000, 0.0026225800000000, -0.0012075400000000 ] - [ 0.0002382300000000, -0.0010924000000000, 0.0002540400000000 ] - [ 0.0216527100000000, 0.0703574100000000, 0.0130863000000000 ] - [ 0.0001787900000000, -0.0026136200000000, -0.0001518600000000 ] - [ 0.0010896400000000, -0.0022215700000000, -0.0109224800000000 ] - [ 0.0001897100000000, -0.0014223300000000, 0.0010688300000000 ] - [ -0.0094794900000000, -0.0072603300000000, -0.0073027000000000 ] - [ 0.0007593900000000, -0.0019861700000000, 0.0005040700000000 ] - [ 0.0000045200000000, 0.0025682700000000, 0.0005315300000000 ] - [ 0.0004273700000000, -0.0015975900000000, -0.0001903600000000 ] - [ 0.0011301700000000, -0.0007069500000000, -0.0002895300000000 ] - [ -0.0007095100000000, -0.0009538600000000, 0.0001056400000000 ] - [ 0.0001066100000000, 0.0040118700000000, 0.0003310600000000 ] - [ 0.0001481800000000, -0.0009926600000000, -0.0001153500000000 ] - [ -0.0005726000000000, 0.0009520100000000, 0.0001298300000000 ] - [ 0.0004195600000000, -0.0010171000000000, -0.0001581000000000 ] - [ -0.0022268500000000, -0.0003200900000000, 0.0010053200000000 ] - [ 0.0017298300000000, -0.0002845100000000, -0.0001574900000000 ] - [ -0.0053713200000000, -0.0086609700000000, 0.0006916300000000 ] - [ 0.0031981900000000, -0.0060957800000000, 0.0016136000000000 ] - [ 0.0003460600000000, -0.0042917600000000, 0.0099755300000000 ] - [ 0.0003226200000000, -0.0014664100000000, -0.0001983000000000 ] - [ -0.0006094800000000, -0.0004585100000000, -0.0003614000000000 ] - [ 0.0007831200000000, -0.0004511700000000, 0.0001527900000000 ] - [ 0.0000411100000000, 0.0017002600000000, 0.0001814700000000 ] - [ 0.0000252000000000, -0.0021506700000000, -0.0002006400000000 ] - [ 0.0002125400000000, 0.0014528400000000, 0.0002141300000000 ] - [ -0.0004783200000000, -0.0011664200000000, -0.0003580700000000 ] - [ -0.0000506900000000, 0.0015392000000000, 0.0005886400000000 ] - [ -0.0000893400000000, -0.0010246300000000, -0.0001078300000000 ] - [ 0.0003268000000000, -0.0002146200000000, 0.0002192000000000 ] - [ -0.0004026100000000, -0.0002123100000000, -0.0002361800000000 ] - [ -0.0003733700000000, 0.0002690700000000, -0.0002249800000000 ] - [ -0.0000707400000000, -0.0002818200000000, 0.0002055100000000 ] - [ -0.0010127300000000, 0.0005663400000000, 0.0000259300000000 ] - [ 0.0000776300000000, -0.0005676600000000, 0.0000759400000000 ] - [ -0.0002617200000000, 0.0000998100000000, -0.0000923000000000 ] - [ -0.0001955600000000, 0.0000525000000000, 0.0001271200000000 ] - [ -0.0002008000000000, 0.0005822000000000, -0.0000250300000000 ] - [ -0.0002977100000000, -0.0006238700000000, 0.0001046300000000 ] - [ 0.0003219200000000, -0.0001308900000000, 0.0000680400000000 ] - [ -0.0002444700000000, -0.0005135700000000, -0.0001174200000000 ] - [ -0.0006874600000000, 0.0003716100000000, -0.0007997700000000 ] - [ 0.0002545600000000, -0.0002973700000000, 0.0000048500000000 ] - [ 0.0002590700000000, 0.0016619600000000, -0.0002451000000000 ] - [ -0.0002833100000000, -0.0010878100000000, 0.0001448500000000 ] - [ -0.0001899900000000, 0.0006685500000000, -0.0000885600000000 ] - [ 0.0001212800000000, -0.0002273400000000, 0.0000885400000000 ] - [ 0.0001075200000000, 0.0002269100000000, 0.0001823000000000 ] - [ -0.0001474700000000, -0.0002259300000000, -0.0000037300000000 ] - [ -0.0007855200000000, 0.0009051200000000, -0.0004265500000000 ] - [ -0.0000164100000000, -0.0008725500000000, -0.0000283000000000 ] - [ -0.0001819200000000, 0.0004156100000000, -0.0001029000000000 ] - [ -0.0002447400000000, -0.0004025000000000, -0.0001757800000000 ] - [ 0.0001880100000000, 0.0004086700000000, 0.0002163300000000 ] - [ -0.0005815000000000, -0.0004981300000000, -0.0004261400000000 ] - [ -0.0002991700000000, 0.0002375000000000, -0.0001597600000000 ] - [ -0.0004585800000000, -0.0001781400000000, -0.0003584900000000 ]- atom: 65 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ 0.0002027300000000, 0.0021614400000000, 0.0005937700000000 ] - [ 0.0008426300000000, -0.0025882300000000, 0.0002118500000000 ] - [ 0.0021149200000000, 0.0011106300000000, -0.0011173900000000 ] - [ -0.0000698300000000, -0.0001414500000000, 0.0000981400000000 ] - [ -0.0004035300000000, -0.0000459900000000, -0.0003700600000000 ] - [ 0.0000090400000000, -0.0000016600000000, -0.0000235200000000 ] - [ -0.0001330000000000, -0.0001372300000000, -0.0001213800000000 ] - [ -0.0001580000000000, 0.0001444700000000, -0.0001218300000000 ] - [ 0.0019017100000000, -0.0002732200000000, -0.0019556900000000 ] - [ 0.0002261500000000, 0.0000940600000000, -0.0001008200000000 ] - [ -0.0001473700000000, -0.0000132000000000, -0.0009262500000000 ] - [ 0.0000145500000000, -0.0001943900000000, -0.0004177000000000 ] - [ 0.0007887700000000, -0.0009996200000000, 0.0002915300000000 ] - [ -0.0001254900000000, 0.0000228000000000, -0.0000318700000000 ] - [ -0.0017331500000000, -0.0004687600000000, -0.0018900400000000 ] - [ -0.0003454800000000, 0.0002024000000000, 0.0001766000000000 ] - [ 0.0130290000000000, -0.0011003900000000, 0.0271772300000000 ] - [ 0.0002124700000000, 0.0000213900000000, -0.0000447600000000 ] - [ -0.0108390400000000, -0.0080590400000000, 0.0048267200000000 ] - [ 0.0005155200000000, -0.0006379400000000, 0.0004075100000000 ] - [ 0.0009690700000000, 0.0005034600000000, -0.0009838800000000 ] - [ -0.0000141500000000, -0.0001085700000000, -0.0001075700000000 ] - [ 0.0004369800000000, 0.0011868400000000, 0.0012908800000000 ] - [ 0.0003605200000000, -0.0002199400000000, -0.0000086200000000 ] - [ -0.0096411800000000, 0.0065458700000000, 0.0075800600000000 ] - [ -0.0001670300000000, 0.0000015800000000, 0.0000653300000000 ] - [ 0.0009963800000000, 0.0001623100000000, -0.0025808500000000 ] - [ -0.0002473500000000, -0.0001187900000000, -0.0000278700000000 ] - [ -0.0003147000000000, -0.0002492500000000, -0.0006515700000000 ] - [ 0.0000322200000000, 0.0003563400000000, 0.0006217700000000 ] - [ -0.0013758300000000, 0.0008351200000000, -0.0009986800000000 ] - [ -0.0002741200000000, -0.0002528500000000, 0.0002985200000000 ] - [ 0.0000219600000000, -0.0000323600000000, 0.0000707500000000 ] - [ 0.0002414100000000, 0.0000578300000000, 0.0000875000000000 ] - [ -0.0008845200000000, -0.0000444900000000, 0.0004041900000000 ] - [ -0.0002512500000000, 0.0000128900000000, 0.0000377900000000 ] - [ 0.0000164000000000, 0.0001828800000000, -0.0001262400000000 ] - [ -0.0000388000000000, 0.0001375800000000, -0.0002823500000000 ] - [ -0.0007657400000000, -0.0006386500000000, -0.0003385500000000 ] - [ -0.0002847300000000, 0.0001079100000000, 0.0000952300000000 ] - [ 0.0002455200000000, 0.0000915600000000, -0.0001827300000000 ] - [ 0.0001092100000000, -0.0000889300000000, -0.0002207900000000 ] - [ 0.0002882600000000, 0.0000094100000000, -0.0001176300000000 ] - [ 0.0001645100000000, -0.0000471900000000, 0.0000480500000000 ] - [ -0.0002431000000000, -0.0002210500000000, -0.0000159700000000 ] - [ -0.0001607500000000, -0.0000010400000000, -0.0000585900000000 ] - [ 0.0004245900000000, -0.0001669500000000, -0.0003370900000000 ] - [ 0.0003454600000000, 0.0000013800000000, -0.0001363500000000 ] - [ -0.0001911800000000, -0.0000031700000000, -0.0003196000000000 ] - [ -0.0002031600000000, 0.0000091300000000, -0.0000333200000000 ] - [ -0.0003186200000000, -0.0000279900000000, 0.0002152000000000 ] - [ -0.0003717800000000, 0.0000038300000000, 0.0001930300000000 ] - [ 0.0000404300000000, 0.0000002700000000, -0.0004558900000000 ] - [ 0.0002561500000000, -0.0000222900000000, -0.0000373200000000 ] - [ -0.0003815500000000, 0.0006320900000000, -0.0005608000000000 ] - [ 0.0002751600000000, -0.0000954800000000, 0.0000195300000000 ] - [ 0.0000317500000000, 0.0000292700000000, -0.0002597600000000 ] - [ -0.0010153500000000, -0.0008690100000000, -0.0012356700000000 ] - [ -0.0002947400000000, -0.0002760300000000, 0.0000057800000000 ] - [ -0.0003612200000000, -0.0000993500000000, 0.0002340900000000 ] - [ -0.0003452000000000, 0.0002177700000000, 0.0002490200000000 ] - [ -0.0000542100000000, 0.0001902600000000, 0.0000104300000000 ] - [ 0.0002495000000000, 0.0003869200000000, -0.0003809200000000 ] - [ 0.0000190900000000, -0.0000460700000000, -0.0000969100000000 ] - [ 0.0075912000000000, -0.0016145500000000, -0.0391523800000000 ] - [ 0.0001393200000000, 0.0000772800000000, 0.0000207300000000 ] - [ 0.0060018800000000, 0.0095661000000000, 0.0065784300000000 ] - [ 0.0001558100000000, -0.0001313800000000, -0.0001421200000000 ] - [ 0.0003458200000000, 0.0008416500000000, -0.0025469300000000 ] - [ 0.0000346700000000, -0.0003329200000000, -0.0000277400000000 ] - [ 0.0013114500000000, -0.0004429500000000, 0.0035829300000000 ] - [ -0.0000813700000000, 0.0000563400000000, 0.0000567100000000 ] - [ -0.0004595700000000, -0.0007595200000000, 0.0010997100000000 ] - [ -0.0001573300000000, 0.0010708700000000, 0.0006650600000000 ] - [ -0.0093746900000000, -0.0003633500000000, -0.0084635500000000 ] - [ 0.0001619600000000, -0.0000381100000000, -0.0001094700000000 ] - [ -0.0026947900000000, -0.0029689600000000, -0.0005946400000000 ] - [ -0.0002564100000000, 0.0003663800000000, -0.0001810000000000 ] - [ 0.0007269600000000, -0.0002485500000000, -0.0005884100000000 ] - [ 0.0002519400000000, 0.0005816800000000, -0.0007456000000000 ] - [ 0.0022125100000000, 0.0033014600000000, -0.0001759500000000 ] - [ 0.0013038800000000, 0.0000463400000000, 0.0000997500000000 ] - [ 0.0044299900000000, -0.0091240300000000, 0.0014017100000000 ] - [ 0.0003117700000000, 0.0002661300000000, 0.0000666500000000 ] - [ -0.0000465200000000, -0.0003750900000000, 0.0004267200000000 ] - [ -0.0004256600000000, -0.0001808100000000, 0.0002233400000000 ] - [ -0.0003703300000000, 0.0002497300000000, 0.0002452800000000 ] - [ 0.0000445000000000, 0.0001801100000000, 0.0000436800000000 ] - [ -0.0031819100000000, 0.0029618100000000, 0.0010508400000000 ] - [ -0.0003275100000000, -0.0002638800000000, -0.0001695300000000 ] - [ -0.0040367800000000, -0.0003759600000000, 0.0067790700000000 ] - [ -0.0000803600000000, 0.0001917500000000, -0.0000252800000000 ] - [ 0.0001588800000000, -0.0001232700000000, 0.0002127300000000 ] - [ 0.0002377900000000, -0.0001794600000000, 0.0002569300000000 ] - [ 0.0001822900000000, 0.0000057000000000, 0.0007739800000000 ] - [ -0.0000503100000000, -0.0000129900000000, 0.0002295300000000 ] - [ 0.0001616700000000, 0.0000808200000000, 0.0003542800000000 ] - [ -0.0000108200000000, -0.0000688400000000, 0.0001291500000000 ] - [ 0.0001524400000000, 0.0005165100000000, 0.0000156900000000 ] - [ 0.0002442900000000, -0.0003276000000000, -0.0001830800000000 ] - [ 0.0008610500000000, 0.0000507800000000, 0.0005919200000000 ] - [ -0.0000752800000000, -0.0000627700000000, 0.0000136200000000 ] - [ 0.0000057300000000, -0.0000136700000000, 0.0000614500000000 ] - [ 0.0000468000000000, -0.0000412900000000, 0.0000849900000000 ] - [ 0.0002270400000000, 0.0000248600000000, -0.0001543200000000 ] - [ 0.0000468700000000, 0.0000138300000000, -0.0001847200000000 ] - [ 0.0000484900000000, 0.0000029000000000, 0.0002222900000000 ] - [ 0.0000419500000000, 0.0000226900000000, 0.0000041100000000 ] - [ 0.0003026100000000, 0.0001544600000000, 0.0004218400000000 ] - [ 0.0001153900000000, 0.0001610700000000, 0.0001008000000000 ] - [ 0.0006920100000000, 0.0000118800000000, 0.0009579500000000 ] - [ 0.0001166700000000, 0.0000192000000000, 0.0003026700000000 ] - [ 0.0000447100000000, -0.0001429800000000, -0.0000383900000000 ] - [ -0.0001220800000000, -0.0001584100000000, -0.0000769900000000 ] - [ 0.0001849600000000, 0.0000786500000000, -0.0002305800000000 ] - [ 0.0000059200000000, -0.0000188700000000, -0.0001158200000000 ] - [ -0.0000987400000000, 0.0000238300000000, -0.0003354500000000 ] - [ -0.0001521100000000, -0.0000601700000000, -0.0002164100000000 ] - [ -0.0000719600000000, 0.0001385000000000, -0.0001318900000000 ] - [ -0.0000535400000000, 0.0002379700000000, -0.0001179300000000 ]- atom: 65 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ -0.0001830800000000, -0.0021989800000000, -0.0006100400000000 ] - [ -0.0008280200000000, 0.0026323000000000, -0.0002391100000000 ] - [ -0.0016868500000000, -0.0010176300000000, 0.0004054400000000 ] - [ 0.0000649000000000, 0.0001420300000000, -0.0000966500000000 ] - [ 0.0004035300000000, 0.0000419100000000, 0.0003840400000000 ] - [ -0.0000030100000000, 0.0000003400000000, 0.0000265200000000 ] - [ 0.0001410200000000, 0.0001287400000000, 0.0001141600000000 ] - [ 0.0001431400000000, -0.0001565900000000, 0.0001293100000000 ] - [ -0.0014901500000000, 0.0003037600000000, 0.0019770000000000 ] - [ 0.0001777100000000, -0.0000946600000000, 0.0001239000000000 ] - [ -0.0003551600000000, 0.0000505900000000, 0.0009390700000000 ] - [ -0.0005159900000000, 0.0002375700000000, 0.0004337500000000 ] - [ -0.0011039500000000, 0.0010043000000000, -0.0005663500000000 ] - [ -0.0001727200000000, -0.0000232800000000, -0.0002261200000000 ] - [ 0.0010739100000000, 0.0004861400000000, 0.0021791500000000 ] - [ -0.0003248100000000, -0.0002064900000000, 0.0001036500000000 ] - [ -0.0123254600000000, 0.0011647000000000, -0.0272198600000000 ] - [ 0.0002922400000000, 0.0000127800000000, 0.0000426600000000 ] - [ 0.0112288600000000, 0.0081176600000000, -0.0048100200000000 ] - [ -0.0002489400000000, 0.0006475100000000, -0.0002971300000000 ] - [ -0.0012626200000000, -0.0005291600000000, 0.0008709800000000 ] - [ -0.0002627000000000, 0.0001141000000000, -0.0000134100000000 ] - [ 0.0002329600000000, -0.0011932500000000, -0.0015939900000000 ] - [ 0.0003131400000000, 0.0002205800000000, -0.0002720900000000 ] - [ 0.0092903200000000, -0.0064758200000000, -0.0076898400000000 ] - [ -0.0002417300000000, -0.0000159400000000, -0.0000849000000000 ] - [ -0.0014686300000000, -0.0001917900000000, 0.0025815200000000 ] - [ -0.0002538500000000, 0.0000808600000000, 0.0000314700000000 ] - [ 0.0008269000000000, 0.0002216200000000, 0.0006585600000000 ] - [ 0.0004813100000000, -0.0003903000000000, -0.0006118800000000 ] - [ 0.0016922400000000, -0.0008512100000000, 0.0012627100000000 ] - [ 0.0005776700000000, 0.0002523600000000, -0.0000474700000000 ] - [ 0.0003849500000000, 0.0000341600000000, -0.0000562000000000 ] - [ 0.0001588500000000, -0.0000599700000000, -0.0000658400000000 ] - [ 0.0003834000000000, 0.0000857800000000, -0.0004069700000000 ] - [ -0.0002488300000000, 0.0000223300000000, -0.0000348600000000 ] - [ -0.0003107200000000, -0.0001849500000000, -0.0001254300000000 ] - [ -0.0002684700000000, -0.0001435900000000, 0.0000302900000000 ] - [ 0.0001015000000000, 0.0006387100000000, 0.0006219400000000 ] - [ -0.0003847800000000, -0.0001055000000000, 0.0001888800000000 ] - [ 0.0002537700000000, -0.0000519100000000, 0.0001800900000000 ] - [ 0.0003943900000000, 0.0001246100000000, 0.0002206800000000 ] - [ -0.0000171600000000, -0.0000048900000000, 0.0002368100000000 ] - [ 0.0001114200000000, 0.0000460600000000, 0.0000682000000000 ] - [ -0.0000344800000000, 0.0002227200000000, -0.0001064200000000 ] - [ -0.0001151100000000, 0.0000029600000000, -0.0000608600000000 ] - [ 0.0002413600000000, 0.0001703900000000, 0.0000611800000000 ] - [ 0.0003213700000000, 0.0000016100000000, -0.0001429000000000 ] - [ -0.0002182600000000, 0.0000017800000000, 0.0003009500000000 ] - [ -0.0001975500000000, -0.0000100900000000, 0.0000095900000000 ] - [ -0.0001814700000000, -0.0000130600000000, -0.0002163100000000 ] - [ -0.0001300100000000, -0.0000383600000000, -0.0001903500000000 ] - [ 0.0004661600000000, -0.0000347200000000, 0.0004634500000000 ] - [ 0.0002449600000000, -0.0000176300000000, 0.0000304900000000 ] - [ 0.0006855300000000, -0.0006351100000000, 0.0008186200000000 ] - [ 0.0000229800000000, 0.0000953200000000, 0.0002426000000000 ] - [ -0.0000329400000000, 0.0002489000000000, 0.0002632900000000 ] - [ 0.0010329000000000, 0.0011626200000000, 0.0012660800000000 ] - [ 0.0003003900000000, 0.0000057800000000, -0.0000035400000000 ] - [ 0.0003671800000000, -0.0001752500000000, -0.0002358700000000 ] - [ 0.0003529800000000, 0.0000552100000000, -0.0002494400000000 ] - [ 0.0000554200000000, 0.0000827900000000, -0.0000097100000000 ] - [ -0.0002525300000000, -0.0006681800000000, 0.0003879100000000 ] - [ -0.0000194900000000, -0.0002275900000000, 0.0000985400000000 ] - [ -0.0081514100000000, 0.0011376200000000, 0.0403254500000000 ] - [ 0.0000964300000000, -0.0003748800000000, 0.0001292800000000 ] - [ -0.0060926400000000, -0.0096962600000000, -0.0063067500000000 ] - [ -0.0001894600000000, 0.0001326200000000, 0.0004850500000000 ] - [ -0.0003762000000000, -0.0008713600000000, 0.0027143800000000 ] - [ -0.0000559100000000, 0.0003323000000000, 0.0001992400000000 ] - [ -0.0015337800000000, 0.0005650500000000, -0.0035552700000000 ] - [ -0.0000966400000000, 0.0000647300000000, -0.0000021300000000 ] - [ 0.0002866100000000, 0.0006504500000000, -0.0010574500000000 ] - [ -0.0000197000000000, -0.0012068500000000, -0.0006213300000000 ] - [ 0.0096176300000000, 0.0002423700000000, 0.0084684400000000 ] - [ 0.0000128400000000, -0.0000828500000000, 0.0000552400000000 ] - [ 0.0027646400000000, 0.0030243600000000, 0.0002727700000000 ] - [ 0.0002887500000000, -0.0003720900000000, -0.0001563900000000 ] - [ -0.0005602400000000, 0.0003744400000000, 0.0005441800000000 ] - [ -0.0000807300000000, -0.0004679200000000, 0.0006999900000000 ] - [ -0.0020004700000000, -0.0030438200000000, 0.0003380200000000 ] - [ -0.0010982900000000, 0.0002732200000000, 0.0000421000000000 ] - [ -0.0042276600000000, 0.0092236700000000, -0.0009751700000000 ] - [ -0.0000702200000000, -0.0002688000000000, 0.0003710400000000 ] - [ -0.0001988700000000, 0.0000889800000000, -0.0005822500000000 ] - [ 0.0001789800000000, -0.0001333500000000, -0.0003751900000000 ] - [ 0.0003853900000000, -0.0002659800000000, -0.0004290300000000 ] - [ -0.0000282800000000, -0.0001787900000000, -0.0002183100000000 ] - [ 0.0029687700000000, -0.0030151800000000, -0.0014729500000000 ] - [ 0.0000827200000000, 0.0002679900000000, -0.0002658500000000 ] - [ 0.0038433500000000, 0.0006860100000000, -0.0070061300000000 ] - [ -0.0001604800000000, 0.0001015700000000, -0.0001234900000000 ] - [ 0.0000801700000000, -0.0001707900000000, -0.0000668900000000 ] - [ -0.0000000200000000, -0.0001182400000000, -0.0001097800000000 ] - [ -0.0002144400000000, -0.0000049500000000, -0.0004424600000000 ] - [ 0.0000203500000000, 0.0000141700000000, 0.0001085200000000 ] - [ -0.0001784400000000, -0.0000836400000000, -0.0001857000000000 ] - [ -0.0000084100000000, 0.0000709800000000, 0.0000424400000000 ] - [ -0.0003309000000000, -0.0004014200000000, 0.0000384300000000 ] - [ -0.0004229100000000, 0.0004500400000000, 0.0002411900000000 ] - [ -0.0010445400000000, -0.0001693000000000, -0.0005383500000000 ] - [ -0.0001008200000000, -0.0000567400000000, 0.0000410100000000 ] - [ 0.0001698200000000, -0.0001038800000000, -0.0001174100000000 ] - [ 0.0001315100000000, -0.0000787100000000, -0.0001428600000000 ] - [ -0.0002005600000000, -0.0000270700000000, -0.0001837800000000 ] - [ -0.0000188900000000, -0.0000127400000000, -0.0001531300000000 ] - [ 0.0001272500000000, 0.0001141700000000, -0.0002799400000000 ] - [ 0.0001364100000000, 0.0000987700000000, -0.0000616500000000 ] - [ -0.0000644700000000, 0.0001423100000000, -0.0002783900000000 ] - [ 0.0001253200000000, 0.0001342800000000, 0.0000444300000000 ] - [ -0.0004497400000000, -0.0000122400000000, -0.0005295900000000 ] - [ 0.0001311600000000, -0.0000183400000000, 0.0001325700000000 ] - [ -0.0002840100000000, -0.0001559200000000, -0.0001049400000000 ] - [ -0.0001185200000000, -0.0001366300000000, -0.0000679000000000 ] - [ -0.0001679700000000, -0.0000782000000000, 0.0000602600000000 ] - [ 0.0000137600000000, 0.0000186400000000, -0.0000530000000000 ] - [ -0.0001523300000000, -0.0000253700000000, -0.0000997400000000 ] - [ -0.0000907200000000, 0.0000608200000000, -0.0002179900000000 ] - [ -0.0001675400000000, 0.0001595500000000, -0.0000168600000000 ] - [ -0.0001855300000000, 0.0000575100000000, -0.0000258600000000 ]- atom: 67 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ 0.0008294500000000, -0.0010934000000000, 0.0003520300000000 ] - [ 0.0074235600000000, 0.0021831600000000, 0.0003371700000000 ] - [ 0.0074235600000000, -0.0021831600000000, 0.0003371700000000 ] - [ 0.0008294500000000, 0.0010934000000000, 0.0003520300000000 ] - [ -0.0010603500000000, 0.0006212400000000, -0.0007308000000000 ] - [ -0.0004983100000000, -0.0002359100000000, -0.0002934900000000 ] - [ -0.0004983100000000, 0.0002359100000000, -0.0002934900000000 ] - [ -0.0010603500000000, -0.0006212400000000, -0.0007308000000000 ] - [ -0.0003815800000000, 0.0000000000000000, 0.0051151700000000 ] - [ 0.0003439000000000, 0.0000000000000000, 0.0001770000000000 ] - [ 0.0001762700000000, 0.0000426500000000, 0.0003029200000000 ] - [ 0.0011825700000000, -0.0008748300000000, 0.0020184900000000 ] - [ -0.0025343800000000, 0.0000000000000000, -0.0025340100000000 ] - [ -0.0004744200000000, 0.0000000000000000, -0.0001175000000000 ] - [ 0.0276080600000000, 0.0000000000000000, 0.0337282300000000 ] - [ -0.0000427000000000, 0.0000000000000000, 0.0003287200000000 ] - [ 0.0013345000000000, -0.0002804200000000, -0.0005419500000000 ] - [ 0.0003285600000000, 0.0001519100000000, -0.0001104000000000 ] - [ 0.0293390200000000, 0.0000000000000000, -0.0238416700000000 ] - [ 0.0005874600000000, 0.0000000000000000, 0.0002295300000000 ] - [ -0.0007628700000000, -0.0004482500000000, 0.0008300200000000 ] - [ -0.0007628700000000, 0.0004482500000000, 0.0008300200000000 ] - [ -0.0003493100000000, -0.0008275800000000, -0.0012775000000000 ] - [ -0.0003493100000000, 0.0008275800000000, -0.0012775000000000 ] - [ 0.0003604200000000, 0.0003899300000000, -0.0001341000000000 ] - [ 0.0003604200000000, -0.0003899300000000, -0.0001341000000000 ] - [ 0.0011825700000000, 0.0008748300000000, 0.0020184900000000 ] - [ 0.0001762700000000, -0.0000426500000000, 0.0003029200000000 ] - [ 0.0003285600000000, -0.0001519100000000, -0.0001104000000000 ] - [ 0.0013345000000000, 0.0002804200000000, -0.0005419500000000 ] - [ 0.0013077900000000, 0.0013732700000000, 0.0005551900000000 ] - [ 0.0013077900000000, -0.0013732700000000, 0.0005551900000000 ] - [ -0.0002463400000000, 0.0004907300000000, -0.0002759500000000 ] - [ -0.0002463400000000, -0.0004907300000000, -0.0002759500000000 ] - [ -0.0008772400000000, -0.0000173800000000, -0.0006857000000000 ] - [ -0.0005699000000000, 0.0000152700000000, -0.0002327500000000 ] - [ -0.0005898300000000, 0.0013635500000000, -0.0000341100000000 ] - [ -0.0005898300000000, -0.0013635500000000, -0.0000341100000000 ] - [ -0.0008252400000000, 0.0000157400000000, -0.0000456900000000 ] - [ -0.0008252400000000, -0.0000157400000000, -0.0000456900000000 ] - [ 0.0000902800000000, 0.0001880200000000, 0.0000041100000000 ] - [ -0.0006898700000000, -0.0008519600000000, -0.0010313800000000 ] - [ -0.0006120000000000, 0.0003580100000000, -0.0003249700000000 ] - [ -0.0006120000000000, -0.0003580100000000, -0.0003249700000000 ] - [ -0.0017489700000000, 0.0000000000000000, -0.0008478900000000 ] - [ -0.0001466000000000, 0.0000000000000000, -0.0000760100000000 ] - [ -0.0009086800000000, 0.0000000000000000, -0.0008857600000000 ] - [ 0.0005446700000000, 0.0000000000000000, -0.0001183800000000 ] - [ -0.0014315000000000, 0.0000000000000000, -0.0004862100000000 ] - [ -0.0004579300000000, 0.0000000000000000, -0.0001761600000000 ] - [ -0.0005699000000000, -0.0000152700000000, -0.0002327500000000 ] - [ -0.0008772400000000, 0.0000173800000000, -0.0006857000000000 ] - [ -0.0006898700000000, 0.0008519600000000, -0.0010313800000000 ] - [ 0.0000902800000000, -0.0001880200000000, 0.0000041100000000 ] - [ -0.0006211400000000, 0.0000000000000000, -0.0000764900000000 ] - [ -0.0002470900000000, 0.0000000000000000, 0.0000602800000000 ] - [ -0.0002531600000000, -0.0000354200000000, 0.0000041500000000 ] - [ 0.0026184800000000, 0.0022223900000000, 0.0000613600000000 ] - [ 0.0004546100000000, -0.0000218400000000, 0.0000833200000000 ] - [ 0.0006578200000000, -0.0003884300000000, -0.0000402800000000 ] - [ 0.0006578200000000, 0.0003884300000000, -0.0000402800000000 ] - [ 0.0004546100000000, 0.0000218400000000, 0.0000833200000000 ] - [ 0.0026184800000000, -0.0022223900000000, 0.0000613600000000 ] - [ -0.0002531600000000, 0.0000354200000000, 0.0000041500000000 ] - [ -0.0059362900000000, -0.0012339600000000, 0.0036666500000000 ] - [ -0.0001332100000000, -0.0003524700000000, 0.0001324600000000 ] - [ -0.0756528500000000, 0.0000000000000000, -0.0075330600000000 ] - [ -0.0004719200000000, 0.0000000000000000, -0.0000945000000000 ] - [ -0.0004587000000000, 0.0002336100000000, 0.0000882700000000 ] - [ -0.0004587000000000, -0.0002336100000000, 0.0000882700000000 ] - [ -0.0040314700000000, -0.0008350000000000, -0.0035096000000000 ] - [ -0.0006593100000000, 0.0004030700000000, -0.0001105000000000 ] - [ -0.0006593100000000, -0.0004030700000000, -0.0001105000000000 ] - [ -0.0040314700000000, 0.0008350000000000, -0.0035096000000000 ] - [ 0.0009409200000000, 0.0006149600000000, 0.0025997100000000 ] - [ -0.0000314600000000, -0.0005079700000000, 0.0002092600000000 ] - [ 0.0037556200000000, 0.0046343700000000, 0.0000107100000000 ] - [ 0.0037556200000000, -0.0046343700000000, 0.0000107100000000 ] - [ -0.0000314600000000, 0.0005079700000000, 0.0002092600000000 ] - [ 0.0009409200000000, -0.0006149600000000, 0.0025997100000000 ] - [ -0.0001332100000000, 0.0003524700000000, 0.0001324600000000 ] - [ -0.0059362900000000, 0.0012339600000000, 0.0036666500000000 ] - [ -0.0025280400000000, 0.0018672500000000, 0.0001046000000000 ] - [ -0.0025280400000000, -0.0018672500000000, 0.0001046000000000 ] - [ -0.0006543100000000, 0.0002577000000000, -0.0006718800000000 ] - [ -0.0002334800000000, -0.0007341300000000, -0.0032475100000000 ] - [ -0.0031910000000000, 0.0000000000000000, -0.0050578100000000 ] - [ -0.0003300500000000, 0.0000000000000000, -0.0002310900000000 ] - [ 0.0159975900000000, 0.0000000000000000, -0.0025261600000000 ] - [ -0.0000037400000000, 0.0000000000000000, -0.0003029900000000 ] - [ -0.0002334800000000, 0.0007341300000000, -0.0032475100000000 ] - [ -0.0006543100000000, -0.0002577000000000, -0.0006718800000000 ] - [ 0.0004095200000000, -0.0000921800000000, 0.0001903100000000 ] - [ 0.0012647700000000, 0.0002090100000000, 0.0009242600000000 ] - [ 0.0004440100000000, -0.0002011200000000, 0.0005098000000000 ] - [ 0.0004440100000000, 0.0002011200000000, 0.0005098000000000 ] - [ 0.0021024200000000, 0.0000000000000000, 0.0012860500000000 ] - [ 0.0001952600000000, 0.0000000000000000, 0.0001647300000000 ] - [ 0.0001905400000000, 0.0000156800000000, 0.0001014500000000 ] - [ 0.0003422100000000, 0.0000417400000000, 0.0002291100000000 ] - [ 0.0003422100000000, -0.0000417400000000, 0.0002291100000000 ] - [ 0.0001905400000000, -0.0000156800000000, 0.0001014500000000 ] - [ 0.0005463800000000, -0.0007158500000000, -0.0001511000000000 ] - [ 0.0002571900000000, 0.0005495200000000, 0.0001714700000000 ] - [ 0.0011677600000000, 0.0000000000000000, 0.0005384600000000 ] - [ 0.0000287800000000, 0.0000000000000000, -0.0001209600000000 ] - [ 0.0002571900000000, -0.0005495200000000, 0.0001714700000000 ] - [ 0.0005463800000000, 0.0007158500000000, -0.0001511000000000 ] - [ 0.0012647700000000, -0.0002090100000000, 0.0009242600000000 ] - [ 0.0004095200000000, 0.0000921800000000, 0.0001903100000000 ] - [ 0.0007098100000000, 0.0000000000000000, 0.0008132700000000 ] - [ 0.0004109500000000, 0.0000000000000000, 0.0004241500000000 ] - [ 0.0009429200000000, -0.0008494800000000, 0.0007491100000000 ] - [ 0.0002307200000000, 0.0000962600000000, 0.0001538800000000 ] - [ 0.0005714700000000, -0.0000301900000000, 0.0001606100000000 ] - [ 0.0005714700000000, 0.0000301900000000, 0.0001606100000000 ] - [ 0.0001445400000000, -0.0003535000000000, -0.0000202400000000 ] - [ 0.0001445400000000, 0.0003535000000000, -0.0000202400000000 ] - [ 0.0002307200000000, -0.0000962600000000, 0.0001538800000000 ] - [ 0.0009429200000000, 0.0008494800000000, 0.0007491100000000 ]- atom: 67 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ -0.0008231900000000, 0.0010852200000000, -0.0003518700000000 ] - [ -0.0071918600000000, -0.0025458800000000, -0.0003263700000000 ] - [ -0.0071918600000000, 0.0025458800000000, -0.0003263700000000 ] - [ -0.0008231900000000, -0.0010852200000000, -0.0003518700000000 ] - [ 0.0010498700000000, -0.0006162000000000, 0.0007402800000000 ] - [ 0.0005027300000000, 0.0002388200000000, 0.0002863300000000 ] - [ 0.0005027300000000, -0.0002388200000000, 0.0002863300000000 ] - [ 0.0010498700000000, 0.0006162000000000, 0.0007402800000000 ] - [ 0.0007848300000000, 0.0000000000000000, -0.0050716800000000 ] - [ 0.0000500400000000, 0.0000000000000000, -0.0001508400000000 ] - [ -0.0006768500000000, 0.0000024200000000, -0.0002906800000000 ] - [ -0.0016615800000000, 0.0009246500000000, -0.0020164000000000 ] - [ 0.0022169000000000, 0.0000000000000000, 0.0022476000000000 ] - [ 0.0001639000000000, 0.0000000000000000, -0.0001453000000000 ] - [ -0.0284028400000000, 0.0000000000000000, -0.0342497400000000 ] - [ -0.0006206500000000, 0.0000000000000000, -0.0000484400000000 ] - [ -0.0008145800000000, 0.0003144800000000, 0.0005345100000000 ] - [ 0.0001749900000000, -0.0001151100000000, 0.0000984200000000 ] - [ -0.0294704300000000, 0.0000000000000000, 0.0248997700000000 ] - [ -0.0003084400000000, 0.0000000000000000, -0.0001126100000000 ] - [ 0.0004848100000000, 0.0004434900000000, -0.0009461700000000 ] - [ 0.0004848100000000, -0.0004434900000000, -0.0009461700000000 ] - [ 0.0010141900000000, 0.0008228800000000, 0.0009978800000000 ] - [ 0.0010141900000000, -0.0008228800000000, 0.0009978800000000 ] - [ -0.0007570200000000, -0.0003770400000000, 0.0001058400000000 ] - [ -0.0007570200000000, 0.0003770400000000, 0.0001058400000000 ] - [ -0.0016615800000000, -0.0009246500000000, -0.0020164000000000 ] - [ -0.0006768500000000, -0.0000024200000000, -0.0002906800000000 ] - [ 0.0001749900000000, 0.0001151100000000, 0.0000984200000000 ] - [ -0.0008145800000000, -0.0003144800000000, 0.0005345100000000 ] - [ -0.0010084200000000, -0.0013576500000000, -0.0002804400000000 ] - [ -0.0010084200000000, 0.0013576500000000, -0.0002804400000000 ] - [ 0.0006368800000000, -0.0004879900000000, 0.0003018000000000 ] - [ 0.0006368800000000, 0.0004879900000000, 0.0003018000000000 ] - [ 0.0003716300000000, 0.0000598300000000, 0.0006963000000000 ] - [ 0.0000702300000000, 0.0000289100000000, 0.0002464900000000 ] - [ 0.0002846200000000, -0.0013671000000000, -0.0002321900000000 ] - [ 0.0002846200000000, 0.0013671000000000, -0.0002321900000000 ] - [ 0.0001636600000000, -0.0000200100000000, 0.0003281400000000 ] - [ 0.0001636600000000, 0.0000200100000000, 0.0003281400000000 ] - [ 0.0004091300000000, -0.0001398200000000, -0.0000196300000000 ] - [ 0.0011901000000000, 0.0008886900000000, 0.0010132900000000 ] - [ 0.0008885800000000, -0.0003544600000000, 0.0004381500000000 ] - [ 0.0008885800000000, 0.0003544600000000, 0.0004381500000000 ] - [ 0.0014632000000000, 0.0000000000000000, 0.0007358100000000 ] - [ -0.0001364800000000, 0.0000000000000000, -0.0000429300000000 ] - [ 0.0015741400000000, 0.0000000000000000, 0.0006048500000000 ] - [ 0.0001148000000000, 0.0000000000000000, -0.0001602800000000 ] - [ 0.0010254000000000, 0.0000000000000000, 0.0004587500000000 ] - [ 0.0000679700000000, 0.0000000000000000, 0.0001469300000000 ] - [ 0.0000702300000000, -0.0000289100000000, 0.0002464900000000 ] - [ 0.0003716300000000, -0.0000598300000000, 0.0006963000000000 ] - [ 0.0011901000000000, -0.0008886900000000, 0.0010132900000000 ] - [ 0.0004091300000000, 0.0001398200000000, -0.0000196300000000 ] - [ 0.0009307400000000, 0.0000000000000000, 0.0003392400000000 ] - [ 0.0005556500000000, 0.0000000000000000, 0.0002086700000000 ] - [ 0.0002536400000000, 0.0003092000000000, -0.0000054600000000 ] - [ -0.0026596800000000, -0.0019814800000000, -0.0000577800000000 ] - [ -0.0004530300000000, -0.0002535300000000, -0.0000828600000000 ] - [ -0.0006537500000000, 0.0001084400000000, 0.0000401900000000 ] - [ -0.0006537500000000, -0.0001084400000000, 0.0000401900000000 ] - [ -0.0004530300000000, 0.0002535300000000, -0.0000828600000000 ] - [ -0.0026596800000000, 0.0019814800000000, -0.0000577800000000 ] - [ 0.0002536400000000, -0.0003092000000000, -0.0000054600000000 ] - [ 0.0061493500000000, 0.0009063200000000, -0.0035792100000000 ] - [ 0.0003726300000000, 0.0000564700000000, 0.0000134700000000 ] - [ 0.0755938600000000, 0.0000000000000000, 0.0077349300000000 ] - [ 0.0004379300000000, 0.0000000000000000, 0.0004323500000000 ] - [ 0.0004372300000000, -0.0002346100000000, 0.0000765000000000 ] - [ 0.0004372300000000, 0.0002346100000000, 0.0000765000000000 ] - [ 0.0038303000000000, 0.0008987100000000, 0.0036019000000000 ] - [ 0.0004820600000000, -0.0002833500000000, 0.0001636700000000 ] - [ 0.0004820600000000, 0.0002833500000000, 0.0001636700000000 ] - [ 0.0038303000000000, -0.0008987100000000, 0.0036019000000000 ] - [ -0.0007639900000000, -0.0007259400000000, -0.0026394000000000 ] - [ 0.0002033000000000, 0.0003879500000000, -0.0002619700000000 ] - [ -0.0037056900000000, -0.0046242600000000, -0.0003480200000000 ] - [ -0.0037056900000000, 0.0046242600000000, -0.0003480200000000 ] - [ 0.0002033000000000, -0.0003879500000000, -0.0002619700000000 ] - [ -0.0007639900000000, 0.0007259400000000, -0.0026394000000000 ] - [ 0.0003726300000000, -0.0000564700000000, 0.0000134700000000 ] - [ 0.0061493500000000, -0.0009063200000000, -0.0035792100000000 ] - [ 0.0027547200000000, -0.0018597900000000, 0.0003302800000000 ] - [ 0.0027547200000000, 0.0018597900000000, 0.0003302800000000 ] - [ 0.0004091600000000, -0.0005519500000000, 0.0005259400000000 ] - [ -0.0000119400000000, 0.0004295800000000, 0.0030870300000000 ] - [ 0.0032099300000000, 0.0000000000000000, 0.0048827500000000 ] - [ 0.0003437500000000, 0.0000000000000000, 0.0000639000000000 ] - [ -0.0159903600000000, 0.0000000000000000, 0.0020739200000000 ] - [ -0.0002403600000000, 0.0000000000000000, -0.0001337200000000 ] - [ -0.0000119400000000, -0.0004295800000000, 0.0030870300000000 ] - [ 0.0004091600000000, 0.0005519500000000, 0.0005259400000000 ] - [ -0.0001667000000000, -0.0002034400000000, -0.0000449400000000 ] - [ -0.0010169700000000, -0.0005049500000000, -0.0007714800000000 ] - [ -0.0004755900000000, 0.0002001100000000, -0.0001705500000000 ] - [ -0.0004755900000000, -0.0002001100000000, -0.0001705500000000 ] - [ -0.0021109000000000, 0.0000000000000000, -0.0011114100000000 ] - [ -0.0002116200000000, 0.0000000000000000, 0.0000028900000000 ] - [ -0.0003629600000000, 0.0001025200000000, -0.0000473400000000 ] - [ -0.0005153200000000, 0.0000748600000000, -0.0001746500000000 ] - [ -0.0005153200000000, -0.0000748600000000, -0.0001746500000000 ] - [ -0.0003629600000000, -0.0001025200000000, -0.0000473400000000 ] - [ -0.0003734600000000, 0.0005999100000000, 0.0000957500000000 ] - [ -0.0000859400000000, -0.0006658000000000, -0.0002212500000000 ] - [ -0.0011329300000000, 0.0000000000000000, -0.0008790100000000 ] - [ 0.0000042200000000, 0.0000000000000000, -0.0002172200000000 ] - [ -0.0000859400000000, 0.0006658000000000, -0.0002212500000000 ] - [ -0.0003734600000000, -0.0005999100000000, 0.0000957500000000 ] - [ -0.0010169700000000, 0.0005049500000000, -0.0007714800000000 ] - [ -0.0001667000000000, 0.0002034400000000, -0.0000449400000000 ] - [ -0.0004641300000000, 0.0000000000000000, -0.0003745200000000 ] - [ -0.0001663800000000, 0.0000000000000000, 0.0000141200000000 ] - [ -0.0011815200000000, 0.0005491500000000, -0.0008878400000000 ] - [ -0.0004724700000000, -0.0003927100000000, -0.0002993900000000 ] - [ -0.0005535800000000, 0.0000313100000000, -0.0003248300000000 ] - [ -0.0005535800000000, -0.0000313100000000, -0.0003248300000000 ] - [ -0.0003885800000000, 0.0003530900000000, -0.0004158400000000 ] - [ -0.0003885800000000, -0.0003530900000000, -0.0004158400000000 ] - [ -0.0004724700000000, 0.0003927100000000, -0.0002993900000000 ] - [ -0.0011815200000000, -0.0005491500000000, -0.0008878400000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000333600000000, -0.0028139700000000, 0.0001667000000000 ] - [ -0.0014060700000000, 0.0104536100000000, -0.0000662300000000 ] - [ 0.0020413100000000, 0.0111050400000000, 0.0000908300000000 ] - [ -0.0000261500000000, -0.0027952400000000, -0.0001635900000000 ] - [ 0.0000974800000000, 0.0004400400000000, -0.0000246400000000 ] - [ -0.0000319100000000, -0.0004416400000000, -0.0000191700000000 ] - [ 0.0000321200000000, -0.0004457200000000, 0.0000166900000000 ] - [ -0.0001124900000000, 0.0004323400000000, 0.0000254500000000 ] - [ 0.0002082400000000, 0.0028791000000000, 0.0000254300000000 ] - [ 0.0002041700000000, -0.0012218200000000, 0.0000108200000000 ] - [ -0.0002646700000000, -0.0007207500000000, 0.0001326800000000 ] - [ 0.0007912900000000, 0.0016671200000000, -0.0015737600000000 ] - [ -0.0001543600000000, 0.0026807000000000, -0.0001293400000000 ] - [ -0.0001495200000000, -0.0012835800000000, -0.0001272800000000 ] - [ -0.0002618500000000, 0.0105140200000000, 0.0002318600000000 ] - [ -0.0003348400000000, -0.0014033400000000, 0.0001410900000000 ] - [ -0.0012874400000000, 0.0003079900000000, -0.0013502300000000 ] - [ 0.0003781700000000, -0.0006988500000000, 0.0002955700000000 ] - [ 0.0001914500000000, 0.0107833400000000, 0.0000176900000000 ] - [ 0.0001375000000000, -0.0014014900000000, 0.0000592000000000 ] - [ -0.0011099700000000, -0.0006233200000000, 0.0008342700000000 ] - [ 0.0008321900000000, -0.0006201600000000, -0.0009450600000000 ] - [ -0.0007483100000000, -0.0006544800000000, -0.0014963600000000 ] - [ 0.0014154100000000, -0.0006494100000000, 0.0012058700000000 ] - [ 0.0000083900000000, -0.0021502100000000, -0.0009908900000000 ] - [ -0.0004153300000000, -0.0021571700000000, 0.0009607900000000 ] - [ -0.0012846000000000, 0.0016577200000000, 0.0015804900000000 ] - [ -0.0002353500000000, -0.0007585300000000, -0.0001280700000000 ] - [ 0.0001257900000000, -0.0007318500000000, -0.0002960900000000 ] - [ 0.0018016000000000, 0.0002743600000000, 0.0013571900000000 ] - [ 0.0018670200000000, -0.0025280900000000, 0.0007147500000000 ] - [ -0.0015608200000000, -0.0025353900000000, -0.0004471900000000 ] - [ 0.0004019400000000, -0.0000912700000000, 0.0001229100000000 ] - [ 0.0000031200000000, -0.0000951500000000, -0.0001048900000000 ] - [ -0.0005184200000000, 0.0001725700000000, -0.0001835700000000 ] - [ -0.0001214700000000, -0.0001775300000000, 0.0001128900000000 ] - [ 0.0006376200000000, -0.0004661400000000, -0.0002141600000000 ] - [ -0.0009344900000000, -0.0004752700000000, -0.0000406100000000 ] - [ -0.0007081700000000, -0.0001029500000000, -0.0001147200000000 ] - [ 0.0000323700000000, -0.0000998000000000, 0.0003946300000000 ] - [ 0.0003495100000000, -0.0002429400000000, 0.0001140600000000 ] - [ 0.0000501500000000, 0.0002774200000000, -0.0001353300000000 ] - [ -0.0000636300000000, 0.0000290200000000, -0.0000580200000000 ] - [ 0.0003319200000000, 0.0000209400000000, 0.0001708300000000 ] - [ -0.0001428600000000, 0.0011360700000000, -0.0000612200000000 ] - [ -0.0001364600000000, -0.0005619800000000, -0.0000596900000000 ] - [ 0.0003325100000000, 0.0010783100000000, -0.0001446800000000 ] - [ 0.0003362100000000, -0.0006811000000000, -0.0001394600000000 ] - [ -0.0002109800000000, 0.0003801600000000, -0.0000132300000000 ] - [ -0.0002029500000000, -0.0004241700000000, -0.0000125000000000 ] - [ -0.0003822500000000, -0.0002128700000000, -0.0001145800000000 ] - [ 0.0000098800000000, 0.0001365600000000, 0.0001828700000000 ] - [ 0.0004438600000000, 0.0002535900000000, 0.0001240300000000 ] - [ 0.0001506600000000, -0.0002829500000000, -0.0001178700000000 ] - [ 0.0001466100000000, 0.0008774900000000, 0.0001252100000000 ] - [ 0.0001463900000000, -0.0006917700000000, 0.0001290000000000 ] - [ -0.0002778900000000, 0.0008564100000000, 0.0001824100000000 ] - [ 0.0022414100000000, 0.0002150000000000, -0.0002167200000000 ] - [ 0.0003666700000000, 0.0003382500000000, 0.0001119500000000 ] - [ -0.0002151700000000, -0.0006043000000000, -0.0001107000000000 ] - [ 0.0002215500000000, -0.0003292000000000, 0.0001107100000000 ] - [ -0.0003622600000000, 0.0006125500000000, -0.0001107500000000 ] - [ -0.0022450800000000, -0.0000707400000000, 0.0002180400000000 ] - [ 0.0002750200000000, 0.0005838400000000, -0.0001825200000000 ] - [ -0.0007281700000000, 0.0020657200000000, 0.0106188500000000 ] - [ 0.0001156900000000, 0.0012732300000000, -0.0000759700000000 ] - [ -0.0007412800000000, -0.0608522400000000, 0.0001064200000000 ] - [ -0.0000166600000000, 0.0011509600000000, 0.0001678600000000 ] - [ 0.0006152500000000, 0.0009089600000000, 0.0004980900000000 ] - [ -0.0006351700000000, 0.0009098400000000, -0.0003265100000000 ] - [ -0.0020125800000000, 0.0046247100000000, -0.0101724400000000 ] - [ -0.0001888700000000, 0.0013436700000000, 0.0004584800000000 ] - [ 0.0000091800000000, 0.0012244900000000, -0.0004038300000000 ] - [ 0.0018121200000000, 0.0044852100000000, 0.0101105400000000 ] - [ 0.0024555300000000, -0.0013601200000000, 0.0022255100000000 ] - [ -0.0001938800000000, 0.0009772500000000, -0.0002265500000000 ] - [ 0.0046595300000000, 0.0062110300000000, 0.0002275600000000 ] - [ -0.0045969500000000, 0.0061514500000000, -0.0005644500000000 ] - [ 0.0003686200000000, 0.0011013100000000, 0.0001720900000000 ] - [ -0.0022690700000000, -0.0012349400000000, -0.0022470600000000 ] - [ 0.0001206900000000, 0.0015723200000000, 0.0002249600000000 ] - [ 0.0009410700000000, 0.0023886400000000, -0.0103863700000000 ] - [ -0.0017250400000000, 0.0034554400000000, 0.0004630200000000 ] - [ 0.0019477400000000, 0.0034206800000000, -0.0000295100000000 ] - [ -0.0002294500000000, 0.0008727300000000, -0.0005534000000000 ] - [ -0.0018552700000000, -0.0011119500000000, 0.0023781100000000 ] - [ -0.0000106500000000, -0.0029618700000000, -0.0000921900000000 ] - [ 0.0000072400000000, 0.0012928500000000, -0.0000869400000000 ] - [ -0.0001184700000000, -0.0074792700000000, -0.0002262100000000 ] - [ -0.0001237000000000, 0.0010845700000000, -0.0002175200000000 ] - [ 0.0016149800000000, -0.0008155800000000, -0.0025618400000000 ] - [ -0.0000151900000000, 0.0011652800000000, 0.0004024500000000 ] - [ 0.0000676200000000, 0.0001352000000000, 0.0000286700000000 ] - [ 0.0001472600000000, -0.0004161000000000, 0.0000964300000000 ] - [ 0.0001874100000000, -0.0000075600000000, 0.0003808500000000 ] - [ -0.0002127700000000, -0.0000051900000000, -0.0000389100000000 ] - [ 0.0000014900000000, -0.0005493900000000, 0.0000929100000000 ] - [ -0.0000088600000000, 0.0005636700000000, 0.0000860300000000 ] - [ -0.0001088700000000, 0.0004511000000000, 0.0001042800000000 ] - [ -0.0001316700000000, -0.0002922800000000, -0.0001885600000000 ] - [ -0.0000393100000000, -0.0004113200000000, 0.0002482700000000 ] - [ -0.0000639900000000, 0.0003322300000000, -0.0000479600000000 ] - [ -0.0001643900000000, 0.0004982400000000, 0.0000239800000000 ] - [ 0.0003220600000000, -0.0005141800000000, -0.0000911100000000 ] - [ 0.0000187900000000, -0.0004894500000000, -0.0001665000000000 ] - [ 0.0000131900000000, 0.0003098100000000, -0.0001691500000000 ] - [ -0.0001473500000000, -0.0004007000000000, 0.0000374000000000 ] - [ 0.0003414500000000, 0.0006215800000000, -0.0000832800000000 ] - [ 0.0001030200000000, -0.0001228000000000, 0.0000597700000000 ] - [ 0.0001740500000000, 0.0004315700000000, 0.0001164100000000 ] - [ 0.0001266000000000, -0.0002563500000000, 0.0002202600000000 ] - [ 0.0001264700000000, 0.0002815800000000, 0.0002186600000000 ] - [ 0.0001588900000000, -0.0005223300000000, 0.0000505200000000 ] - [ -0.0002913700000000, 0.0001501700000000, -0.0001799200000000 ] - [ 0.0000876600000000, 0.0000191700000000, -0.0000546000000000 ] - [ -0.0000656600000000, 0.0000208200000000, -0.0001150500000000 ] - [ -0.0004067100000000, 0.0000806900000000, -0.0003652900000000 ] - [ 0.0001584600000000, 0.0000830300000000, -0.0000676900000000 ] - [ 0.0000537500000000, 0.0004449100000000, 0.0000352400000000 ] - [ -0.0003916000000000, -0.0002189100000000, -0.0001885700000000 ]- atom: 67 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ -0.0001780500000000, 0.0004193600000000, 0.0004363000000000 ] - [ -0.0033749100000000, -0.0003254000000000, 0.0069150400000000 ] - [ -0.0033749100000000, 0.0003254000000000, 0.0069150400000000 ] - [ -0.0001780500000000, -0.0004193600000000, 0.0004363000000000 ] - [ 0.0001414800000000, 0.0001263600000000, -0.0003152900000000 ] - [ -0.0000034000000000, 0.0000148100000000, -0.0000497600000000 ] - [ -0.0000034000000000, -0.0000148100000000, -0.0000497600000000 ] - [ 0.0001414800000000, -0.0001263600000000, -0.0003152900000000 ] - [ 0.0030774600000000, 0.0000000000000000, -0.0028742300000000 ] - [ 0.0002871600000000, 0.0000000000000000, -0.0000473600000000 ] - [ -0.0000944800000000, 0.0001333200000000, -0.0003795300000000 ] - [ 0.0024316200000000, -0.0003393100000000, -0.0041063900000000 ] - [ -0.0002535100000000, 0.0000000000000000, 0.0014321400000000 ] - [ -0.0003156500000000, 0.0000000000000000, -0.0000198300000000 ] - [ 0.0137964200000000, 0.0000000000000000, 0.0370862700000000 ] - [ -0.0002150700000000, 0.0000000000000000, 0.0002205400000000 ] - [ -0.0033658400000000, -0.0005682400000000, -0.0016682900000000 ] - [ 0.0001261300000000, 0.0003290300000000, -0.0001559700000000 ] - [ -0.0338166600000000, 0.0000000000000000, 0.0458457900000000 ] - [ 0.0005262400000000, 0.0000000000000000, 0.0003608100000000 ] - [ 0.0003232000000000, 0.0002823900000000, -0.0004361300000000 ] - [ 0.0003232000000000, -0.0002823900000000, -0.0004361300000000 ] - [ 0.0001438500000000, -0.0000471100000000, 0.0006447800000000 ] - [ 0.0001438500000000, 0.0000471100000000, 0.0006447800000000 ] - [ -0.0000933300000000, -0.0037027900000000, 0.0009419900000000 ] - [ -0.0000933300000000, 0.0037027900000000, 0.0009419900000000 ] - [ 0.0024316200000000, 0.0003393100000000, -0.0041063900000000 ] - [ -0.0000944800000000, -0.0001333200000000, -0.0003795300000000 ] - [ 0.0001261300000000, -0.0003290300000000, -0.0001559700000000 ] - [ -0.0033658400000000, 0.0005682400000000, -0.0016682900000000 ] - [ -0.0009669400000000, 0.0014339400000000, 0.0016517000000000 ] - [ -0.0009669400000000, -0.0014339400000000, 0.0016517000000000 ] - [ 0.0001501300000000, -0.0000320100000000, 0.0002171300000000 ] - [ 0.0001501300000000, 0.0000320100000000, 0.0002171300000000 ] - [ -0.0005364300000000, 0.0000673600000000, 0.0001385900000000 ] - [ -0.0003521300000000, -0.0000134600000000, 0.0000027900000000 ] - [ 0.0003495800000000, -0.0003559100000000, -0.0002950400000000 ] - [ 0.0003495800000000, 0.0003559100000000, -0.0002950400000000 ] - [ -0.0005835900000000, -0.0001153000000000, -0.0001027500000000 ] - [ -0.0005835900000000, 0.0001153000000000, -0.0001027500000000 ] - [ 0.0003194900000000, 0.0001195300000000, -0.0001885400000000 ] - [ -0.0002455500000000, -0.0005641500000000, -0.0014479500000000 ] - [ -0.0000219900000000, 0.0003379400000000, -0.0001175000000000 ] - [ -0.0000219900000000, -0.0003379400000000, -0.0001175000000000 ] - [ -0.0002593300000000, 0.0000000000000000, 0.0007456000000000 ] - [ -0.0001985600000000, 0.0000000000000000, -0.0000643200000000 ] - [ 0.0022471600000000, 0.0000000000000000, -0.0003286200000000 ] - [ 0.0003130900000000, 0.0000000000000000, -0.0001039800000000 ] - [ -0.0006737400000000, 0.0000000000000000, -0.0002934000000000 ] - [ -0.0002535800000000, 0.0000000000000000, -0.0000681200000000 ] - [ -0.0003521300000000, 0.0000134600000000, 0.0000027900000000 ] - [ -0.0005364300000000, -0.0000673600000000, 0.0001385900000000 ] - [ -0.0002455500000000, 0.0005641500000000, -0.0014479500000000 ] - [ 0.0003194900000000, -0.0001195300000000, -0.0001885400000000 ] - [ -0.0002416400000000, 0.0000000000000000, -0.0004102000000000 ] - [ 0.0000963000000000, 0.0000000000000000, 0.0000032700000000 ] - [ 0.0001257000000000, -0.0001577500000000, -0.0003255800000000 ] - [ -0.0016408200000000, -0.0010523400000000, -0.0017276900000000 ] - [ -0.0000361300000000, -0.0002503400000000, 0.0000098400000000 ] - [ -0.0000844200000000, -0.0001252400000000, 0.0001025000000000 ] - [ -0.0000844200000000, 0.0001252400000000, 0.0001025000000000 ] - [ -0.0000361300000000, 0.0002503400000000, 0.0000098400000000 ] - [ -0.0016408200000000, 0.0010523400000000, -0.0017276900000000 ] - [ 0.0001257000000000, 0.0001577500000000, -0.0003255800000000 ] - [ 0.0060607500000000, 0.0101404200000000, 0.0064681900000000 ] - [ 0.0004704700000000, -0.0008447800000000, -0.0001464100000000 ] - [ 0.0309472500000000, 0.0000000000000000, -0.1091820700000000 ] - [ -0.0000292400000000, 0.0000000000000000, -0.0001317900000000 ] - [ 0.0007907600000000, 0.0015109000000000, 0.0002158800000000 ] - [ 0.0007907600000000, -0.0015109000000000, 0.0002158800000000 ] - [ -0.0003274500000000, -0.0078416300000000, 0.0052271700000000 ] - [ -0.0002804100000000, 0.0003629000000000, 0.0001995700000000 ] - [ -0.0002804100000000, -0.0003629000000000, 0.0001995700000000 ] - [ -0.0003274500000000, 0.0078416300000000, 0.0052271700000000 ] - [ 0.0008860500000000, 0.0000758400000000, -0.0020431100000000 ] - [ 0.0003470900000000, -0.0000826100000000, -0.0003347200000000 ] - [ -0.0016208500000000, -0.0018787800000000, -0.0000708500000000 ] - [ -0.0016208500000000, 0.0018787800000000, -0.0000708500000000 ] - [ 0.0003470900000000, 0.0000826100000000, -0.0003347200000000 ] - [ 0.0008860500000000, -0.0000758400000000, -0.0020431100000000 ] - [ 0.0004704700000000, 0.0008447800000000, -0.0001464100000000 ] - [ 0.0060607500000000, -0.0101404200000000, 0.0064681900000000 ] - [ 0.0009029400000000, -0.0005498500000000, -0.0013291000000000 ] - [ 0.0009029400000000, 0.0005498500000000, -0.0013291000000000 ] - [ -0.0001160300000000, -0.0003323200000000, 0.0000674300000000 ] - [ -0.0010767200000000, 0.0003882000000000, 0.0004660100000000 ] - [ -0.0049021000000000, 0.0000000000000000, 0.0078239000000000 ] - [ -0.0000351700000000, 0.0000000000000000, -0.0000457400000000 ] - [ -0.0090036500000000, 0.0000000000000000, -0.0015562500000000 ] - [ -0.0001587300000000, 0.0000000000000000, -0.0002376400000000 ] - [ -0.0010767200000000, -0.0003882000000000, 0.0004660100000000 ] - [ -0.0001160300000000, 0.0003323200000000, 0.0000674300000000 ] - [ 0.0000968600000000, -0.0002071100000000, 0.0001386600000000 ] - [ 0.0007667100000000, 0.0000243700000000, 0.0009247300000000 ] - [ 0.0000626500000000, -0.0000890200000000, 0.0004909700000000 ] - [ 0.0000626500000000, 0.0000890200000000, 0.0004909700000000 ] - [ 0.0004540100000000, 0.0000000000000000, 0.0015018900000000 ] - [ 0.0000095800000000, 0.0000000000000000, 0.0001716400000000 ] - [ 0.0000412200000000, 0.0001333600000000, 0.0000203800000000 ] - [ 0.0003177600000000, 0.0000139000000000, 0.0000986300000000 ] - [ 0.0003177600000000, -0.0000139000000000, 0.0000986300000000 ] - [ 0.0000412200000000, -0.0001333600000000, 0.0000203800000000 ] - [ -0.0001733600000000, 0.0001570400000000, 0.0000868900000000 ] - [ -0.0006418200000000, -0.0004956200000000, 0.0004122200000000 ] - [ 0.0000900300000000, 0.0000000000000000, -0.0008486500000000 ] - [ 0.0000522100000000, 0.0000000000000000, -0.0002101500000000 ] - [ -0.0006418200000000, 0.0004956200000000, 0.0004122200000000 ] - [ -0.0001733600000000, -0.0001570400000000, 0.0000868900000000 ] - [ 0.0007667100000000, -0.0000243700000000, 0.0009247300000000 ] - [ 0.0000968600000000, 0.0002071100000000, 0.0001386600000000 ] - [ 0.0004196800000000, 0.0000000000000000, 0.0008865000000000 ] - [ 0.0001736600000000, 0.0000000000000000, 0.0003490400000000 ] - [ 0.0000483200000000, -0.0003659500000000, -0.0000818000000000 ] - [ -0.0000211200000000, -0.0001111000000000, -0.0000524400000000 ] - [ 0.0001152500000000, -0.0001059000000000, -0.0001149200000000 ] - [ 0.0001152500000000, 0.0001059000000000, -0.0001149200000000 ] - [ -0.0002490500000000, 0.0000468200000000, -0.0003901600000000 ] - [ -0.0002490500000000, -0.0000468200000000, -0.0003901600000000 ] - [ -0.0000211200000000, 0.0001111000000000, -0.0000524400000000 ] - [ 0.0000483200000000, 0.0003659500000000, -0.0000818000000000 ]- atom: 67 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ 0.0001766000000000, -0.0004110800000000, -0.0004392300000000 ] - [ 0.0034436400000000, 0.0001989600000000, -0.0068796900000000 ] - [ 0.0034436400000000, -0.0001989600000000, -0.0068796900000000 ] - [ 0.0001766000000000, 0.0004110800000000, -0.0004392300000000 ] - [ -0.0001511500000000, -0.0001248900000000, 0.0003237500000000 ] - [ 0.0000053900000000, -0.0000096900000000, 0.0000492600000000 ] - [ 0.0000053900000000, 0.0000096900000000, 0.0000492600000000 ] - [ -0.0001511500000000, 0.0001248900000000, 0.0003237500000000 ] - [ -0.0026829400000000, 0.0000000000000000, 0.0028475700000000 ] - [ 0.0001173300000000, 0.0000000000000000, 0.0000674600000000 ] - [ -0.0004089500000000, -0.0001001200000000, 0.0003798800000000 ] - [ -0.0029050500000000, 0.0003978400000000, 0.0040564500000000 ] - [ -0.0000272600000000, 0.0000000000000000, -0.0016819300000000 ] - [ 0.0000181300000000, 0.0000000000000000, -0.0002339700000000 ] - [ -0.0152464100000000, 0.0000000000000000, -0.0377843300000000 ] - [ -0.0004562000000000, 0.0000000000000000, 0.0000605200000000 ] - [ 0.0038590100000000, 0.0006011100000000, 0.0016766100000000 ] - [ 0.0003776000000000, -0.0003003300000000, 0.0001530500000000 ] - [ 0.0321078100000000, 0.0000000000000000, -0.0429197200000000 ] - [ -0.0002532200000000, 0.0000000000000000, -0.0002434800000000 ] - [ -0.0005920200000000, -0.0002808700000000, 0.0003077600000000 ] - [ -0.0005920200000000, 0.0002808700000000, 0.0003077600000000 ] - [ 0.0005336300000000, 0.0000542500000000, -0.0009134400000000 ] - [ 0.0005336300000000, -0.0000542500000000, -0.0009134400000000 ] - [ -0.0003229500000000, 0.0036974600000000, -0.0009505700000000 ] - [ -0.0003229500000000, -0.0036974600000000, -0.0009505700000000 ] - [ -0.0029050500000000, -0.0003978400000000, 0.0040564500000000 ] - [ -0.0004089500000000, 0.0001001200000000, 0.0003798800000000 ] - [ 0.0003776000000000, 0.0003003300000000, 0.0001530500000000 ] - [ 0.0038590100000000, -0.0006011100000000, 0.0016766100000000 ] - [ 0.0012543500000000, -0.0014237600000000, -0.0014069700000000 ] - [ 0.0012543500000000, 0.0014237600000000, -0.0014069700000000 ] - [ 0.0002579600000000, 0.0000316300000000, -0.0001961100000000 ] - [ 0.0002579600000000, -0.0000316300000000, -0.0001961100000000 ] - [ 0.0000341900000000, -0.0000347400000000, -0.0001306500000000 ] - [ -0.0001476400000000, 0.0000460000000000, 0.0000013900000000 ] - [ -0.0006471000000000, 0.0003557500000000, 0.0000439600000000 ] - [ -0.0006471000000000, -0.0003557500000000, 0.0000439600000000 ] - [ -0.0000861300000000, 0.0001108500000000, 0.0003869700000000 ] - [ -0.0000861300000000, -0.0001108500000000, 0.0003869700000000 ] - [ 0.0001836000000000, -0.0000832900000000, 0.0001804400000000 ] - [ 0.0007539200000000, 0.0005959500000000, 0.0014498500000000 ] - [ 0.0002993400000000, -0.0003340800000000, 0.0002321100000000 ] - [ 0.0002993400000000, 0.0003340800000000, 0.0002321100000000 ] - [ -0.0000126900000000, 0.0000000000000000, -0.0008638600000000 ] - [ -0.0000777100000000, 0.0000000000000000, -0.0000526300000000 ] - [ -0.0015507600000000, 0.0000000000000000, 0.0000635000000000 ] - [ 0.0003566400000000, 0.0000000000000000, -0.0001775200000000 ] - [ 0.0002626700000000, 0.0000000000000000, 0.0002715800000000 ] - [ -0.0001504300000000, 0.0000000000000000, 0.0000459100000000 ] - [ -0.0001476400000000, -0.0000460000000000, 0.0000013900000000 ] - [ 0.0000341900000000, 0.0000347400000000, -0.0001306500000000 ] - [ 0.0007539200000000, -0.0005959500000000, 0.0014498500000000 ] - [ 0.0001836000000000, 0.0000832900000000, 0.0001804400000000 ] - [ 0.0005417800000000, 0.0000000000000000, 0.0006614300000000 ] - [ 0.0002007600000000, 0.0000000000000000, 0.0002531600000000 ] - [ -0.0001253700000000, 0.0004318700000000, 0.0003258600000000 ] - [ 0.0016429000000000, 0.0013190200000000, 0.0017175200000000 ] - [ 0.0000345900000000, -0.0000243400000000, -0.0000091600000000 ] - [ 0.0000826900000000, -0.0001472700000000, -0.0001021300000000 ] - [ 0.0000826900000000, 0.0001472700000000, -0.0001021300000000 ] - [ 0.0000345900000000, 0.0000243400000000, -0.0000091600000000 ] - [ 0.0016429000000000, -0.0013190200000000, 0.0017175200000000 ] - [ -0.0001253700000000, -0.0004318700000000, 0.0003258600000000 ] - [ -0.0057797400000000, -0.0103597400000000, -0.0062888600000000 ] - [ -0.0002221900000000, 0.0005469400000000, 0.0002836600000000 ] - [ -0.0283017000000000, 0.0000000000000000, 0.1075661500000000 ] - [ 0.0000092400000000, 0.0000000000000000, 0.0004705400000000 ] - [ -0.0008008600000000, -0.0015023300000000, -0.0000523200000000 ] - [ -0.0008008600000000, 0.0015023300000000, -0.0000523200000000 ] - [ 0.0001107600000000, 0.0079824500000000, -0.0051256300000000 ] - [ 0.0001095300000000, -0.0002436700000000, -0.0001318200000000 ] - [ 0.0001095300000000, 0.0002436700000000, -0.0001318200000000 ] - [ 0.0001107600000000, -0.0079824500000000, -0.0051256300000000 ] - [ -0.0007207300000000, -0.0001967800000000, 0.0019587400000000 ] - [ -0.0001748100000000, -0.0000341100000000, 0.0002664300000000 ] - [ 0.0016109200000000, 0.0018368000000000, -0.0002756000000000 ] - [ 0.0016109200000000, -0.0018368000000000, -0.0002756000000000 ] - [ -0.0001748100000000, 0.0000341100000000, 0.0002664300000000 ] - [ -0.0007207300000000, 0.0001967800000000, 0.0019587400000000 ] - [ -0.0002221900000000, -0.0005469400000000, 0.0002836600000000 ] - [ -0.0057797400000000, 0.0103597400000000, -0.0062888600000000 ] - [ -0.0006336800000000, 0.0005285800000000, 0.0017529700000000 ] - [ -0.0006336800000000, -0.0005285800000000, 0.0017529700000000 ] - [ -0.0001283200000000, 0.0000330300000000, -0.0002005200000000 ] - [ 0.0008318900000000, -0.0006899800000000, -0.0005815900000000 ] - [ 0.0049074200000000, 0.0000000000000000, -0.0080321500000000 ] - [ 0.0000542600000000, 0.0000000000000000, -0.0001146100000000 ] - [ 0.0087421900000000, 0.0000000000000000, 0.0012012700000000 ] - [ -0.0000973100000000, 0.0000000000000000, -0.0001939700000000 ] - [ 0.0008318900000000, 0.0006899800000000, -0.0005815900000000 ] - [ -0.0001283200000000, -0.0000330300000000, -0.0002005200000000 ] - [ 0.0001473700000000, -0.0000913100000000, -0.0000017600000000 ] - [ -0.0005221100000000, -0.0003221000000000, -0.0007837800000000 ] - [ -0.0000866200000000, 0.0000897800000000, -0.0001510300000000 ] - [ -0.0000866200000000, -0.0000897800000000, -0.0001510300000000 ] - [ -0.0004804800000000, 0.0000000000000000, -0.0013356100000000 ] - [ -0.0000285700000000, 0.0000000000000000, -0.0000095900000000 ] - [ -0.0002121800000000, -0.0000138600000000, 0.0000415000000000 ] - [ -0.0004882900000000, 0.0001052300000000, -0.0000342300000000 ] - [ -0.0004882900000000, -0.0001052300000000, -0.0000342300000000 ] - [ -0.0002121800000000, 0.0000138600000000, 0.0000415000000000 ] - [ 0.0003429400000000, -0.0002769200000000, -0.0001517400000000 ] - [ 0.0008104400000000, 0.0003696200000000, -0.0004767500000000 ] - [ -0.0000726600000000, 0.0000000000000000, 0.0004995000000000 ] - [ -0.0000298600000000, 0.0000000000000000, -0.0001298800000000 ] - [ 0.0008104400000000, -0.0003696200000000, -0.0004767500000000 ] - [ 0.0003429400000000, 0.0002769200000000, -0.0001517400000000 ] - [ -0.0005221100000000, 0.0003221000000000, -0.0007837800000000 ] - [ 0.0001473700000000, 0.0000913100000000, -0.0000017600000000 ] - [ -0.0001674100000000, 0.0000000000000000, -0.0004532400000000 ] - [ 0.0000788300000000, 0.0000000000000000, 0.0000848100000000 ] - [ -0.0002965300000000, 0.0000703300000000, -0.0000584900000000 ] - [ -0.0002259400000000, -0.0001868600000000, -0.0000869300000000 ] - [ -0.0000993300000000, 0.0001062100000000, -0.0000484400000000 ] - [ -0.0000993300000000, -0.0001062100000000, -0.0000484400000000 ] - [ -0.0000062700000000, -0.0000461400000000, -0.0000442200000000 ] - [ -0.0000062700000000, 0.0000461400000000, -0.0000442200000000 ] - [ -0.0002259400000000, 0.0001868600000000, -0.0000869300000000 ] - [ -0.0002965300000000, -0.0000703300000000, -0.0000584900000000 ]- atom: 69 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ 0.0053714900000000, 0.0011088400000000, 0.0006187400000000 ] - [ 0.0011370400000000, -0.0002090100000000, 0.0003188600000000 ] - [ 0.0053714900000000, -0.0011088400000000, 0.0006187400000000 ] - [ 0.0011370400000000, 0.0002090100000000, 0.0003188600000000 ] - [ -0.0017675600000000, 0.0007091100000000, -0.0007692700000000 ] - [ -0.0006838000000000, -0.0000589000000000, -0.0003204000000000 ] - [ -0.0017675600000000, -0.0007091100000000, -0.0007692700000000 ] - [ -0.0006838000000000, 0.0000589000000000, -0.0003204000000000 ] - [ 0.0010239400000000, -0.0003157900000000, 0.0005894400000000 ] - [ 0.0010239400000000, 0.0003157900000000, 0.0005894400000000 ] - [ 0.0002557200000000, 0.0011817900000000, 0.0018320200000000 ] - [ -0.0000070700000000, -0.0003276800000000, 0.0001780000000000 ] - [ -0.0004545100000000, 0.0023944200000000, 0.0006767100000000 ] - [ -0.0004545100000000, -0.0023944200000000, 0.0006767100000000 ] - [ -0.0005252700000000, -0.0008830600000000, -0.0001490800000000 ] - [ -0.0005252700000000, 0.0008830600000000, -0.0001490800000000 ] - [ 0.0093521000000000, -0.0014945700000000, 0.0014427100000000 ] - [ 0.0008616900000000, -0.0001187200000000, 0.0003716900000000 ] - [ -0.0005170300000000, -0.0025264700000000, -0.0004920500000000 ] - [ -0.0005170300000000, 0.0025264700000000, -0.0004920500000000 ] - [ -0.0007505300000000, 0.0000000000000000, 0.0034032700000000 ] - [ 0.0002705100000000, 0.0000000000000000, 0.0001587600000000 ] - [ 0.0038733800000000, 0.0000000000000000, 0.0090920500000000 ] - [ 0.0005431500000000, 0.0000000000000000, -0.0000398300000000 ] - [ 0.0197486900000000, 0.0000000000000000, -0.0027980700000000 ] - [ 0.0001128600000000, 0.0000000000000000, 0.0001670500000000 ] - [ 0.0002557200000000, -0.0011817900000000, 0.0018320200000000 ] - [ -0.0000070700000000, 0.0003276800000000, 0.0001780000000000 ] - [ 0.0093521000000000, 0.0014945700000000, 0.0014427100000000 ] - [ 0.0008616900000000, 0.0001187200000000, 0.0003716900000000 ] - [ -0.0013627200000000, 0.0000000000000000, -0.0026433000000000 ] - [ 0.0001528600000000, 0.0000000000000000, 0.0001989800000000 ] - [ -0.0007256400000000, 0.0000000000000000, -0.0007580800000000 ] - [ -0.0001139100000000, 0.0000000000000000, -0.0002185500000000 ] - [ -0.0011193700000000, 0.0004416600000000, -0.0010169200000000 ] - [ -0.0005453800000000, -0.0001502900000000, -0.0002072400000000 ] - [ -0.0024793000000000, 0.0000000000000000, -0.0008845100000000 ] - [ -0.0004848600000000, 0.0000000000000000, -0.0002027000000000 ] - [ -0.0021968300000000, 0.0000000000000000, -0.0001887800000000 ] - [ -0.0004128500000000, 0.0000000000000000, 0.0001731200000000 ] - [ -0.0007206500000000, 0.0001007300000000, -0.0004607700000000 ] - [ -0.0000811300000000, -0.0000143000000000, -0.0001964400000000 ] - [ -0.0014511100000000, 0.0000000000000000, -0.0007567700000000 ] - [ -0.0001426600000000, 0.0000000000000000, -0.0001086300000000 ] - [ -0.0010386000000000, -0.0000045200000000, -0.0005216400000000 ] - [ -0.0010386000000000, 0.0000045200000000, -0.0005216400000000 ] - [ -0.0003104100000000, -0.0004467500000000, -0.0003004200000000 ] - [ -0.0003104100000000, 0.0004467500000000, -0.0003004200000000 ] - [ -0.0007175700000000, 0.0003767400000000, -0.0002583900000000 ] - [ -0.0007175700000000, -0.0003767400000000, -0.0002583900000000 ] - [ -0.0011193700000000, -0.0004416600000000, -0.0010169200000000 ] - [ -0.0005453800000000, 0.0001502900000000, -0.0002072400000000 ] - [ -0.0007206500000000, -0.0001007300000000, -0.0004607700000000 ] - [ -0.0000811300000000, 0.0000143000000000, -0.0001964400000000 ] - [ -0.0001848300000000, 0.0009040700000000, 0.0000749200000000 ] - [ -0.0001848300000000, -0.0009040700000000, 0.0000749200000000 ] - [ 0.0007471700000000, -0.0005938800000000, 0.0005911500000000 ] - [ 0.0003704200000000, 0.0004606900000000, 0.0003473300000000 ] - [ 0.0005975300000000, 0.0009461700000000, -0.0016148400000000 ] - [ 0.0001258800000000, -0.0006191000000000, -0.0002382200000000 ] - [ 0.0005975300000000, -0.0009461700000000, -0.0016148400000000 ] - [ 0.0001258800000000, 0.0006191000000000, -0.0002382200000000 ] - [ 0.0007471700000000, 0.0005938800000000, 0.0005911500000000 ] - [ 0.0003704200000000, -0.0004606900000000, 0.0003473300000000 ] - [ -0.0005900700000000, 0.0094001000000000, 0.0000726800000000 ] - [ -0.0008240500000000, -0.0009137600000000, -0.0003917900000000 ] - [ -0.0004582400000000, 0.0006247400000000, 0.0008343000000000 ] - [ -0.0004582400000000, -0.0006247400000000, 0.0008343000000000 ] - [ -0.0357803200000000, 0.0000000000000000, -0.0062622900000000 ] - [ -0.0005163100000000, 0.0000000000000000, -0.0001877400000000 ] - [ 0.0000295700000000, 0.0010108500000000, -0.0005824000000000 ] - [ -0.0002671000000000, -0.0002483700000000, -0.0000722600000000 ] - [ 0.0000295700000000, -0.0010108500000000, -0.0005824000000000 ] - [ -0.0002671000000000, 0.0002483700000000, -0.0000722600000000 ] - [ -0.0001322300000000, -0.0082260100000000, -0.0014175200000000 ] - [ -0.0005923100000000, 0.0005520900000000, 0.0000069900000000 ] - [ -0.0032118800000000, 0.0000000000000000, -0.0074624200000000 ] - [ -0.0003261600000000, 0.0000000000000000, -0.0004035400000000 ] - [ -0.0001322300000000, 0.0082260100000000, -0.0014175200000000 ] - [ -0.0005923100000000, -0.0005520900000000, 0.0000069900000000 ] - [ -0.0005900700000000, -0.0094001000000000, 0.0000726800000000 ] - [ -0.0008240500000000, 0.0009137600000000, -0.0003917900000000 ] - [ -0.0040713200000000, 0.0000000000000000, 0.0075810400000000 ] - [ -0.0000479200000000, 0.0000000000000000, 0.0001161400000000 ] - [ -0.0011400900000000, -0.0001177200000000, -0.0010487800000000 ] - [ -0.0007208200000000, -0.0001351300000000, -0.0003505000000000 ] - [ -0.0007704100000000, 0.0012428900000000, -0.0005078900000000 ] - [ -0.0007704100000000, -0.0012428900000000, -0.0005078900000000 ] - [ -0.0010629400000000, -0.0000171100000000, -0.0012029100000000 ] - [ -0.0010629400000000, 0.0000171100000000, -0.0012029100000000 ] - [ -0.0011400900000000, 0.0001177200000000, -0.0010487800000000 ] - [ -0.0007208200000000, 0.0001351300000000, -0.0003505000000000 ] - [ 0.0014370200000000, 0.0008546000000000, 0.0009754700000000 ] - [ 0.0005860100000000, -0.0002400000000000, 0.0003172600000000 ] - [ 0.0021001700000000, 0.0000000000000000, 0.0018488200000000 ] - [ 0.0001917300000000, 0.0000000000000000, 0.0003016000000000 ] - [ 0.0007051600000000, 0.0000934000000000, 0.0002623600000000 ] - [ 0.0007051600000000, -0.0000934000000000, 0.0002623600000000 ] - [ 0.0001514900000000, 0.0009836300000000, 0.0000640200000000 ] - [ 0.0003016700000000, -0.0003937100000000, 0.0000050700000000 ] - [ 0.0001514900000000, -0.0009836300000000, 0.0000640200000000 ] - [ 0.0003016700000000, 0.0003937100000000, 0.0000050700000000 ] - [ 0.0012662600000000, -0.0008219700000000, -0.0000380500000000 ] - [ 0.0004414800000000, 0.0000693700000000, 0.0000259300000000 ] - [ 0.0005710400000000, -0.0000778500000000, 0.0002557700000000 ] - [ 0.0005710400000000, 0.0000778500000000, 0.0002557700000000 ] - [ 0.0012662600000000, 0.0008219700000000, -0.0000380500000000 ] - [ 0.0004414800000000, -0.0000693700000000, 0.0000259300000000 ] - [ 0.0014370200000000, -0.0008546000000000, 0.0009754700000000 ] - [ 0.0005860100000000, 0.0002400000000000, 0.0003172600000000 ] - [ 0.0004066900000000, -0.0002138700000000, 0.0004336400000000 ] - [ 0.0004066900000000, 0.0002138700000000, 0.0004336400000000 ] - [ 0.0009902600000000, -0.0003388300000000, 0.0007359000000000 ] - [ 0.0004264600000000, -0.0003989800000000, 0.0002250200000000 ] - [ 0.0015131900000000, 0.0000000000000000, 0.0004997400000000 ] - [ 0.0003909300000000, 0.0000000000000000, 0.0000668800000000 ] - [ 0.0011709000000000, 0.0000000000000000, 0.0010954300000000 ] - [ 0.0001566200000000, 0.0000000000000000, 0.0000159600000000 ] - [ 0.0009902600000000, 0.0003388300000000, 0.0007359000000000 ] - [ 0.0004264600000000, 0.0003989800000000, 0.0002250200000000 ]- atom: 69 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ -0.0053719100000000, -0.0011188500000000, -0.0006611500000000 ] - [ -0.0011443100000000, 0.0002198900000000, -0.0003283000000000 ] - [ -0.0053719100000000, 0.0011188500000000, -0.0006611500000000 ] - [ -0.0011443100000000, -0.0002198900000000, -0.0003283000000000 ] - [ 0.0017695900000000, -0.0007000700000000, 0.0007754000000000 ] - [ 0.0006774300000000, 0.0000594600000000, 0.0003278300000000 ] - [ 0.0017695900000000, 0.0007000700000000, 0.0007754000000000 ] - [ 0.0006774300000000, -0.0000594600000000, 0.0003278300000000 ] - [ -0.0006239700000000, 0.0003209100000000, -0.0005672100000000 ] - [ -0.0006239700000000, -0.0003209100000000, -0.0005672100000000 ] - [ -0.0007596200000000, -0.0011638600000000, -0.0018575000000000 ] - [ -0.0005006300000000, 0.0003627300000000, -0.0001781400000000 ] - [ 0.0001720300000000, -0.0023966200000000, -0.0009369200000000 ] - [ 0.0001720300000000, 0.0023966200000000, -0.0009369200000000 ] - [ -0.0001549200000000, 0.0008901400000000, 0.0004258000000000 ] - [ -0.0001549200000000, -0.0008901400000000, 0.0004258000000000 ] - [ -0.0088724600000000, 0.0017150600000000, -0.0015235500000000 ] - [ -0.0003581300000000, 0.0001542500000000, -0.0003868600000000 ] - [ 0.0007735600000000, 0.0025283200000000, 0.0006002300000000 ] - [ 0.0007735600000000, -0.0025283200000000, 0.0006002300000000 ] - [ 0.0004803200000000, 0.0000000000000000, -0.0035189100000000 ] - [ -0.0005455700000000, 0.0000000000000000, -0.0002770700000000 ] - [ -0.0026166800000000, 0.0000000000000000, -0.0094977500000000 ] - [ 0.0001390100000000, 0.0000000000000000, -0.0002410500000000 ] - [ -0.0215966600000000, 0.0000000000000000, 0.0023627400000000 ] - [ -0.0005373900000000, 0.0000000000000000, -0.0001898300000000 ] - [ -0.0007596200000000, 0.0011638600000000, -0.0018575000000000 ] - [ -0.0005006300000000, -0.0003627300000000, -0.0001781400000000 ] - [ -0.0088724600000000, -0.0017150600000000, -0.0015235500000000 ] - [ -0.0003581300000000, -0.0001542500000000, -0.0003868600000000 ] - [ 0.0016531300000000, 0.0000000000000000, 0.0029145500000000 ] - [ 0.0001353200000000, 0.0000000000000000, 0.0000484800000000 ] - [ 0.0011365600000000, 0.0000000000000000, 0.0007770000000000 ] - [ 0.0005270600000000, 0.0000000000000000, 0.0002383500000000 ] - [ 0.0006155600000000, -0.0003999100000000, 0.0010091600000000 ] - [ 0.0000464200000000, 0.0001751900000000, 0.0002090700000000 ] - [ 0.0022146500000000, 0.0000000000000000, 0.0006380400000000 ] - [ 0.0001878200000000, 0.0000000000000000, -0.0000456600000000 ] - [ 0.0015194200000000, 0.0000000000000000, 0.0004663400000000 ] - [ -0.0002536500000000, 0.0000000000000000, 0.0001156900000000 ] - [ 0.0012253000000000, -0.0000721800000000, 0.0004606200000000 ] - [ 0.0005852500000000, 0.0000461700000000, 0.0001930200000000 ] - [ 0.0017007400000000, 0.0000000000000000, 0.0008738100000000 ] - [ 0.0004243700000000, 0.0000000000000000, 0.0002255200000000 ] - [ 0.0007690200000000, 0.0000108600000000, 0.0004030600000000 ] - [ 0.0007690200000000, -0.0000108600000000, 0.0004030600000000 ] - [ 0.0009857100000000, 0.0004500800000000, 0.0000216700000000 ] - [ 0.0009857100000000, -0.0004500800000000, 0.0000216700000000 ] - [ 0.0003067100000000, -0.0003734000000000, 0.0002401600000000 ] - [ 0.0003067100000000, 0.0003734000000000, 0.0002401600000000 ] - [ 0.0006155600000000, 0.0003999100000000, 0.0010091600000000 ] - [ 0.0000464200000000, -0.0001751900000000, 0.0002090700000000 ] - [ 0.0012253000000000, 0.0000721800000000, 0.0004606200000000 ] - [ 0.0005852500000000, -0.0000461700000000, 0.0001930200000000 ] - [ 0.0004870800000000, -0.0008933900000000, 0.0001867000000000 ] - [ 0.0004870800000000, 0.0008933900000000, 0.0001867000000000 ] - [ -0.0007512700000000, 0.0008773300000000, -0.0005960300000000 ] - [ -0.0003681200000000, -0.0001884000000000, -0.0003447600000000 ] - [ -0.0005856000000000, -0.0011978700000000, 0.0015941800000000 ] - [ -0.0001291300000000, 0.0003502900000000, 0.0002375300000000 ] - [ -0.0005856000000000, 0.0011978700000000, 0.0015941800000000 ] - [ -0.0001291300000000, -0.0003502900000000, 0.0002375300000000 ] - [ -0.0007512700000000, -0.0008773300000000, -0.0005960300000000 ] - [ -0.0003681200000000, 0.0001884000000000, -0.0003447600000000 ] - [ 0.0008542200000000, -0.0097373800000000, 0.0000562700000000 ] - [ 0.0010748500000000, 0.0006186600000000, 0.0005399700000000 ] - [ 0.0004388100000000, -0.0006285100000000, -0.0004895800000000 ] - [ 0.0004388100000000, 0.0006285100000000, -0.0004895800000000 ] - [ 0.0367031500000000, 0.0000000000000000, 0.0073554900000000 ] - [ 0.0005025200000000, 0.0000000000000000, 0.0003669000000000 ] - [ -0.0002035500000000, -0.0008980200000000, 0.0006519500000000 ] - [ 0.0000972300000000, 0.0003721900000000, 0.0001347600000000 ] - [ -0.0002035500000000, 0.0008980200000000, 0.0006519500000000 ] - [ 0.0000972300000000, -0.0003721900000000, 0.0001347600000000 ] - [ 0.0002712700000000, 0.0080670200000000, 0.0013547600000000 ] - [ 0.0007620100000000, -0.0006718800000000, -0.0000638000000000 ] - [ 0.0031774500000000, 0.0000000000000000, 0.0071063900000000 ] - [ 0.0003487900000000, 0.0000000000000000, 0.0000626300000000 ] - [ 0.0002712700000000, -0.0080670200000000, 0.0013547600000000 ] - [ 0.0007620100000000, 0.0006718800000000, -0.0000638000000000 ] - [ 0.0008542200000000, 0.0097373800000000, 0.0000562700000000 ] - [ 0.0010748500000000, -0.0006186600000000, 0.0005399700000000 ] - [ 0.0043925700000000, 0.0000000000000000, -0.0071809200000000 ] - [ 0.0003037400000000, 0.0000000000000000, 0.0003198200000000 ] - [ 0.0009053400000000, -0.0001757500000000, 0.0009128900000000 ] - [ 0.0004827300000000, -0.0001626600000000, 0.0002139000000000 ] - [ 0.0007964400000000, -0.0012579700000000, 0.0003481600000000 ] - [ 0.0007964400000000, 0.0012579700000000, 0.0003481600000000 ] - [ 0.0008136000000000, 0.0000126500000000, 0.0007675000000000 ] - [ 0.0008136000000000, -0.0000126500000000, 0.0007675000000000 ] - [ 0.0009053400000000, 0.0001757500000000, 0.0009128900000000 ] - [ 0.0004827300000000, 0.0001626600000000, 0.0002139000000000 ] - [ -0.0011893500000000, -0.0011430800000000, -0.0008337100000000 ] - [ -0.0003439400000000, -0.0000622600000000, -0.0001800500000000 ] - [ -0.0021111400000000, 0.0000000000000000, -0.0015054000000000 ] - [ -0.0002165100000000, 0.0000000000000000, 0.0000358500000000 ] - [ -0.0007241200000000, -0.0000994700000000, -0.0001000400000000 ] - [ -0.0007241200000000, 0.0000994700000000, -0.0001000400000000 ] - [ -0.0003347100000000, -0.0008587300000000, -0.0000027800000000 ] - [ -0.0004780600000000, 0.0005115700000000, 0.0000558500000000 ] - [ -0.0003347100000000, 0.0008587300000000, -0.0000027800000000 ] - [ -0.0004780600000000, -0.0005115700000000, 0.0000558500000000 ] - [ -0.0010995500000000, 0.0007107300000000, -0.0000208600000000 ] - [ -0.0002696600000000, -0.0001936000000000, -0.0000901900000000 ] - [ -0.0005517800000000, 0.0000746200000000, -0.0005966400000000 ] - [ -0.0005517800000000, -0.0000746200000000, -0.0005966400000000 ] - [ -0.0010995500000000, -0.0007107300000000, -0.0000208600000000 ] - [ -0.0002696600000000, 0.0001936000000000, -0.0000901900000000 ] - [ -0.0011893500000000, 0.0011430800000000, -0.0008337100000000 ] - [ -0.0003439400000000, 0.0000622600000000, -0.0001800500000000 ] - [ -0.0001604800000000, 0.0002096000000000, -0.0000101400000000 ] - [ -0.0001604800000000, -0.0002096000000000, -0.0000101400000000 ] - [ -0.0012333600000000, 0.0000356700000000, -0.0008755000000000 ] - [ -0.0006766400000000, 0.0001052400000000, -0.0003680100000000 ] - [ -0.0014979400000000, 0.0000000000000000, -0.0006565300000000 ] - [ -0.0003773000000000, 0.0000000000000000, -0.0002296500000000 ] - [ -0.0014333600000000, 0.0000000000000000, -0.0015340400000000 ] - [ -0.0004101900000000, 0.0000000000000000, -0.0004481600000000 ] - [ -0.0012333600000000, -0.0000356700000000, -0.0008755000000000 ] - [ -0.0006766400000000, -0.0001052400000000, -0.0003680100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007623600000000, 0.0017239200000000, 0.0062596200000000 ] - [ -0.0004002800000000, -0.0024172500000000, -0.0004464800000000 ] - [ -0.0007427000000000, 0.0016685000000000, -0.0062705100000000 ] - [ 0.0004001400000000, -0.0024193800000000, 0.0004517500000000 ] - [ 0.0003704600000000, 0.0009344200000000, 0.0002379400000000 ] - [ -0.0003282300000000, -0.0009268400000000, -0.0001455800000000 ] - [ -0.0003729600000000, 0.0009412100000000, -0.0002428900000000 ] - [ 0.0003187600000000, -0.0009361100000000, 0.0001495500000000 ] - [ -0.0017782400000000, -0.0000731800000000, 0.0004581500000000 ] - [ 0.0022070500000000, -0.0000613800000000, -0.0004496700000000 ] - [ 0.0003024300000000, 0.0006154900000000, 0.0002574400000000 ] - [ -0.0007170100000000, -0.0005144800000000, -0.0000751600000000 ] - [ 0.0022733300000000, -0.0037006200000000, -0.0014773900000000 ] - [ -0.0025782900000000, -0.0036951800000000, 0.0012286000000000 ] - [ -0.0009042600000000, 0.0000265200000000, -0.0005868200000000 ] - [ 0.0002322400000000, 0.0000419800000000, 0.0008677200000000 ] - [ -0.0017929700000000, 0.0480965300000000, -0.0152581400000000 ] - [ 0.0002680200000000, -0.0036833900000000, 0.0026189500000000 ] - [ -0.0021914600000000, -0.0036341500000000, -0.0018867500000000 ] - [ 0.0024698400000000, -0.0036278400000000, 0.0020134900000000 ] - [ -0.0001344200000000, 0.0021897100000000, -0.0000668100000000 ] - [ -0.0001334100000000, -0.0020920400000000, -0.0000607700000000 ] - [ 0.0003808100000000, 0.0115174600000000, -0.0001542600000000 ] - [ 0.0003343800000000, -0.0025658100000000, -0.0001372700000000 ] - [ -0.0002139800000000, 0.0125443100000000, -0.0000134100000000 ] - [ -0.0002024400000000, -0.0024708600000000, -0.0000070100000000 ] - [ -0.0008030900000000, 0.0005642300000000, -0.0002542800000000 ] - [ 0.0002183900000000, -0.0005466000000000, 0.0000731400000000 ] - [ 0.0024318900000000, 0.0509890000000000, 0.0161861600000000 ] - [ 0.0002386700000000, -0.0036715000000000, -0.0025996400000000 ] - [ 0.0001389300000000, 0.0011849700000000, 0.0001159400000000 ] - [ 0.0001486700000000, -0.0013548100000000, 0.0001287900000000 ] - [ 0.0002019700000000, 0.0007811900000000, 0.0000067300000000 ] - [ 0.0002022600000000, -0.0007522600000000, 0.0000112000000000 ] - [ 0.0006089700000000, 0.0006596800000000, 0.0002963600000000 ] - [ -0.0006244400000000, -0.0005193700000000, -0.0001483200000000 ] - [ -0.0001534500000000, 0.0007931300000000, -0.0001285800000000 ] - [ -0.0001493000000000, -0.0009503900000000, -0.0001281000000000 ] - [ -0.0003296900000000, 0.0020835200000000, 0.0001413400000000 ] - [ -0.0003387800000000, -0.0015915200000000, 0.0001402600000000 ] - [ 0.0002974500000000, 0.0002758000000000, 0.0000399000000000 ] - [ 0.0001984500000000, -0.0002426600000000, -0.0000463500000000 ] - [ 0.0001406600000000, 0.0009020400000000, 0.0000596500000000 ] - [ 0.0001362700000000, -0.0009930100000000, 0.0000565700000000 ] - [ -0.0003252700000000, 0.0000173700000000, -0.0001727900000000 ] - [ 0.0000480200000000, 0.0000276900000000, 0.0000521600000000 ] - [ -0.0000599100000000, 0.0000275900000000, -0.0002466000000000 ] - [ 0.0007305500000000, 0.0000380300000000, -0.0000316900000000 ] - [ 0.0000088400000000, -0.0000051900000000, 0.0004589300000000 ] - [ -0.0004163700000000, 0.0000021400000000, -0.0004838500000000 ] - [ -0.0011146100000000, 0.0006254600000000, -0.0002908000000000 ] - [ 0.0001180700000000, -0.0005531700000000, 0.0001492700000000 ] - [ 0.0002020500000000, 0.0002335000000000, -0.0000416900000000 ] - [ 0.0003026800000000, -0.0002776900000000, 0.0000434200000000 ] - [ 0.0023252900000000, -0.0004449100000000, 0.0013237800000000 ] - [ -0.0020434400000000, -0.0004422800000000, -0.0010867500000000 ] - [ -0.0002471200000000, -0.0004277000000000, -0.0001999500000000 ] - [ 0.0005773900000000, 0.0009851100000000, 0.0006608900000000 ] - [ -0.0000459300000000, -0.0012957400000000, 0.0002263400000000 ] - [ -0.0002806900000000, 0.0015447500000000, 0.0002115900000000 ] - [ 0.0000399900000000, -0.0010079700000000, -0.0002218000000000 ] - [ 0.0002830700000000, 0.0018199100000000, -0.0002113600000000 ] - [ 0.0002490400000000, -0.0006930000000000, 0.0002023300000000 ] - [ -0.0005812600000000, 0.0007108200000000, -0.0006635200000000 ] - [ 0.0108381100000000, 0.0071182100000000, 0.0068554100000000 ] - [ 0.0001565800000000, 0.0018387000000000, -0.0002844300000000 ] - [ 0.0002148300000000, 0.0009117200000000, 0.0020016800000000 ] - [ -0.0002441700000000, 0.0009057500000000, -0.0016747100000000 ] - [ -0.0001356500000000, -0.1362693100000000, -0.0006941900000000 ] - [ -0.0000109300000000, 0.0063437100000000, 0.0000775500000000 ] - [ 0.0006158700000000, -0.0006829400000000, 0.0004188200000000 ] - [ -0.0006355400000000, 0.0007828300000000, 0.0000638400000000 ] - [ -0.0007924800000000, -0.0008138900000000, -0.0003667900000000 ] - [ 0.0004527500000000, 0.0006680200000000, -0.0000109000000000 ] - [ -0.0090771600000000, 0.0053698800000000, 0.0075904800000000 ] - [ 0.0001928500000000, 0.0019608400000000, -0.0002858000000000 ] - [ 0.0000059800000000, -0.0029613200000000, -0.0001461900000000 ] - [ 0.0000139900000000, 0.0012923900000000, -0.0001707500000000 ] - [ 0.0093516700000000, 0.0055697700000000, -0.0077185800000000 ] - [ -0.0000072600000000, 0.0020794800000000, 0.0002210000000000 ] - [ -0.0107308700000000, 0.0075233800000000, -0.0067837300000000 ] - [ 0.0000704100000000, 0.0021374200000000, 0.0004240200000000 ] - [ 0.0001323300000000, -0.0028459400000000, 0.0002548000000000 ] - [ 0.0001217900000000, 0.0012002500000000, 0.0002140400000000 ] - [ 0.0001249400000000, -0.0018575100000000, -0.0002331500000000 ] - [ 0.0002063000000000, 0.0020072600000000, -0.0001007800000000 ] - [ 0.0012528500000000, -0.0000876600000000, 0.0002318900000000 ] - [ -0.0012463100000000, -0.0001034300000000, -0.0004108300000000 ] - [ 0.0005800400000000, 0.0007516300000000, -0.0001459500000000 ] - [ -0.0008365900000000, 0.0007446400000000, -0.0002876700000000 ] - [ -0.0003629300000000, -0.0015417300000000, 0.0000873200000000 ] - [ -0.0004502600000000, 0.0023036200000000, -0.0000499500000000 ] - [ -0.0000869000000000, -0.0007177700000000, 0.0000566100000000 ] - [ 0.0003055500000000, 0.0004211500000000, 0.0000971400000000 ] - [ -0.0000186300000000, -0.0005484300000000, 0.0001685700000000 ] - [ -0.0000140400000000, 0.0005640600000000, 0.0001717500000000 ] - [ -0.0001042400000000, 0.0000243300000000, -0.0000443300000000 ] - [ 0.0000876900000000, 0.0000175700000000, 0.0002197900000000 ] - [ 0.0007836700000000, -0.0012194500000000, 0.0004477400000000 ] - [ -0.0007615800000000, 0.0012883600000000, 0.0003003400000000 ] - [ -0.0009523600000000, -0.0013268400000000, -0.0003895700000000 ] - [ 0.0005882700000000, 0.0011673900000000, -0.0002450300000000 ] - [ 0.0002350500000000, -0.0005280400000000, -0.0000345600000000 ] - [ -0.0000228700000000, 0.0004012800000000, 0.0000223900000000 ] - [ 0.0000456700000000, 0.0000209600000000, -0.0000323700000000 ] - [ -0.0000145400000000, 0.0000177000000000, -0.0003060000000000 ] - [ -0.0000540800000000, -0.0004013800000000, -0.0000195900000000 ] - [ 0.0002014900000000, 0.0005175300000000, -0.0000776100000000 ] - [ 0.0003244900000000, -0.0004136100000000, 0.0000924400000000 ] - [ -0.0000659700000000, 0.0007143400000000, 0.0000531500000000 ] - [ -0.0011496300000000, -0.0000810100000000, -0.0010159200000000 ] - [ 0.0014076500000000, -0.0000853200000000, 0.0014647200000000 ] - [ -0.0004121100000000, -0.0005646900000000, -0.0003216100000000 ] - [ 0.0000882800000000, 0.0002548600000000, 0.0000612000000000 ] - [ 0.0000075800000000, -0.0012094100000000, -0.0000883200000000 ] - [ 0.0000108100000000, 0.0011002100000000, -0.0000857400000000 ] - [ -0.0001222900000000, -0.0005221100000000, -0.0002149200000000 ] - [ -0.0001221600000000, 0.0005015400000000, -0.0002175800000000 ] - [ 0.0001730000000000, -0.0002714800000000, 0.0001723500000000 ] - [ -0.0003223500000000, 0.0005548400000000, -0.0002044200000000 ]- atom: 69 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ -0.0019296000000000, 0.0025346600000000, -0.0032035700000000 ] - [ -0.0002483800000000, -0.0001985300000000, 0.0000329500000000 ] - [ -0.0019296000000000, -0.0025346600000000, -0.0032035700000000 ] - [ -0.0002483800000000, 0.0001985300000000, 0.0000329500000000 ] - [ 0.0001163100000000, 0.0000077500000000, 0.0000635800000000 ] - [ 0.0000519600000000, -0.0000355300000000, 0.0000377300000000 ] - [ 0.0001163100000000, -0.0000077500000000, 0.0000635800000000 ] - [ 0.0000519600000000, 0.0000355300000000, 0.0000377300000000 ] - [ 0.0004131300000000, 0.0000512000000000, -0.0005584000000000 ] - [ 0.0004131300000000, -0.0000512000000000, -0.0005584000000000 ] - [ -0.0001334100000000, -0.0002548800000000, -0.0005554800000000 ] - [ -0.0002264700000000, 0.0000741200000000, 0.0000263700000000 ] - [ 0.0001638400000000, -0.0019041900000000, -0.0007798800000000 ] - [ 0.0001638400000000, 0.0019041900000000, -0.0007798800000000 ] - [ -0.0002681000000000, 0.0000839000000000, 0.0001387500000000 ] - [ -0.0002681000000000, -0.0000839000000000, 0.0001387500000000 ] - [ -0.0028613300000000, -0.0165617800000000, 0.0121335000000000 ] - [ 0.0000580500000000, -0.0001475400000000, 0.0009131700000000 ] - [ 0.0004208800000000, 0.0003214600000000, 0.0000458600000000 ] - [ 0.0004208800000000, -0.0003214600000000, 0.0000458600000000 ] - [ 0.0027639700000000, 0.0000000000000000, -0.0031761700000000 ] - [ -0.0002444300000000, 0.0000000000000000, -0.0002430600000000 ] - [ 0.0044665300000000, 0.0000000000000000, -0.0036819600000000 ] - [ -0.0000093200000000, 0.0000000000000000, -0.0000138800000000 ] - [ -0.0121268300000000, 0.0000000000000000, 0.0062470700000000 ] - [ 0.0000751700000000, 0.0000000000000000, 0.0001631500000000 ] - [ -0.0001334100000000, 0.0002548800000000, -0.0005554800000000 ] - [ -0.0002264700000000, -0.0000741200000000, 0.0000263700000000 ] - [ -0.0028613300000000, 0.0165617800000000, 0.0121335000000000 ] - [ 0.0000580500000000, 0.0001475400000000, 0.0009131700000000 ] - [ 0.0001162300000000, 0.0000000000000000, 0.0002957400000000 ] - [ 0.0002363600000000, 0.0000000000000000, 0.0001481000000000 ] - [ 0.0004080700000000, 0.0000000000000000, 0.0002577700000000 ] - [ 0.0002611100000000, 0.0000000000000000, 0.0000600400000000 ] - [ -0.0001531800000000, -0.0001823900000000, 0.0008523300000000 ] - [ -0.0002761300000000, 0.0000799500000000, 0.0001318600000000 ] - [ 0.0005648000000000, 0.0000000000000000, 0.0000973600000000 ] - [ -0.0000764200000000, 0.0000000000000000, -0.0000869300000000 ] - [ -0.0009137500000000, 0.0000000000000000, -0.0002167800000000 ] - [ -0.0003956900000000, 0.0000000000000000, -0.0000277800000000 ] - [ 0.0005341700000000, 0.0000293600000000, 0.0000400200000000 ] - [ 0.0003254900000000, -0.0000074500000000, 0.0000394400000000 ] - [ 0.0013091000000000, 0.0000000000000000, -0.0001854700000000 ] - [ 0.0002133100000000, 0.0000000000000000, 0.0000901600000000 ] - [ 0.0000701100000000, -0.0000570000000000, 0.0000697200000000 ] - [ 0.0000701100000000, 0.0000570000000000, 0.0000697200000000 ] - [ 0.0004659600000000, 0.0001014700000000, -0.0001189400000000 ] - [ 0.0004659600000000, -0.0001014700000000, -0.0001189400000000 ] - [ 0.0000030400000000, -0.0001735900000000, -0.0000966300000000 ] - [ 0.0000030400000000, 0.0001735900000000, -0.0000966300000000 ] - [ -0.0001531800000000, 0.0001823900000000, 0.0008523300000000 ] - [ -0.0002761300000000, -0.0000799500000000, 0.0001318600000000 ] - [ 0.0005341700000000, -0.0000293600000000, 0.0000400200000000 ] - [ 0.0003254900000000, 0.0000074500000000, 0.0000394400000000 ] - [ 0.0000233600000000, -0.0001811400000000, -0.0002866100000000 ] - [ 0.0000233600000000, 0.0001811400000000, -0.0002866100000000 ] - [ -0.0001681600000000, 0.0003064600000000, -0.0002178000000000 ] - [ -0.0000238500000000, 0.0001584400000000, 0.0000040900000000 ] - [ -0.0004847600000000, -0.0005885000000000, 0.0014728600000000 ] - [ -0.0002370600000000, 0.0001939500000000, 0.0004012600000000 ] - [ -0.0004847600000000, 0.0005885000000000, 0.0014728600000000 ] - [ -0.0002370600000000, -0.0001939500000000, 0.0004012600000000 ] - [ -0.0001681600000000, -0.0003064600000000, -0.0002178000000000 ] - [ -0.0000238500000000, -0.0001584400000000, 0.0000040900000000 ] - [ 0.0022933600000000, 0.0018507600000000, -0.0015647400000000 ] - [ 0.0000757700000000, -0.0001529500000000, -0.0000857000000000 ] - [ 0.0002033300000000, 0.0000627300000000, -0.0000085300000000 ] - [ 0.0002033300000000, -0.0000627300000000, -0.0000085300000000 ] - [ 0.0110618500000000, 0.0000000000000000, -0.0255938000000000 ] - [ -0.0000055600000000, 0.0000000000000000, -0.0008447500000000 ] - [ -0.0002768300000000, 0.0000977600000000, 0.0005676800000000 ] - [ -0.0001307900000000, 0.0000942000000000, 0.0000655600000000 ] - [ -0.0002768300000000, -0.0000977600000000, 0.0005676800000000 ] - [ -0.0001307900000000, -0.0000942000000000, 0.0000655600000000 ] - [ -0.0020099700000000, 0.0105417300000000, -0.0009441300000000 ] - [ 0.0006023700000000, -0.0005311000000000, -0.0003473800000000 ] - [ -0.0028519100000000, 0.0000000000000000, 0.0088425900000000 ] - [ 0.0000443800000000, 0.0000000000000000, -0.0000918300000000 ] - [ -0.0020099700000000, -0.0105417300000000, -0.0009441300000000 ] - [ 0.0006023700000000, 0.0005311000000000, -0.0003473800000000 ] - [ 0.0022933600000000, -0.0018507600000000, -0.0015647400000000 ] - [ 0.0000757700000000, 0.0001529500000000, -0.0000857000000000 ] - [ 0.0059177800000000, 0.0000000000000000, 0.0002308500000000 ] - [ 0.0001396900000000, 0.0000000000000000, 0.0000834900000000 ] - [ -0.0005008700000000, 0.0000810200000000, 0.0002557500000000 ] - [ -0.0001507100000000, -0.0002574900000000, 0.0000204900000000 ] - [ 0.0000033000000000, -0.0003142000000000, -0.0000166000000000 ] - [ 0.0000033000000000, 0.0003142000000000, -0.0000166000000000 ] - [ 0.0000243500000000, 0.0003555100000000, 0.0007314600000000 ] - [ 0.0000243500000000, -0.0003555100000000, 0.0007314600000000 ] - [ -0.0005008700000000, -0.0000810200000000, 0.0002557500000000 ] - [ -0.0001507100000000, 0.0002574900000000, 0.0000204900000000 ] - [ -0.0003659200000000, -0.0005700600000000, -0.0000125800000000 ] - [ 0.0000076700000000, -0.0000998000000000, 0.0000566200000000 ] - [ 0.0000363500000000, 0.0000000000000000, 0.0013579000000000 ] - [ -0.0000410900000000, 0.0000000000000000, 0.0002315700000000 ] - [ -0.0001871800000000, 0.0000694000000000, 0.0000635500000000 ] - [ -0.0001871800000000, -0.0000694000000000, 0.0000635500000000 ] - [ 0.0004430800000000, 0.0003268100000000, -0.0001091900000000 ] - [ -0.0000397700000000, 0.0001464200000000, -0.0000145800000000 ] - [ 0.0004430800000000, -0.0003268100000000, -0.0001091900000000 ] - [ -0.0000397700000000, -0.0001464200000000, -0.0000145800000000 ] - [ -0.0002675100000000, 0.0001693900000000, 0.0000765600000000 ] - [ 0.0000053100000000, -0.0000821500000000, -0.0000217500000000 ] - [ -0.0000405000000000, 0.0000086100000000, -0.0002873400000000 ] - [ -0.0000405000000000, -0.0000086100000000, -0.0002873400000000 ] - [ -0.0002675100000000, -0.0001693900000000, 0.0000765600000000 ] - [ 0.0000053100000000, 0.0000821500000000, -0.0000217500000000 ] - [ -0.0003659200000000, 0.0005700600000000, -0.0000125800000000 ] - [ 0.0000076700000000, 0.0000998000000000, 0.0000566200000000 ] - [ 0.0002754100000000, 0.0000662100000000, 0.0005314600000000 ] - [ 0.0002754100000000, -0.0000662100000000, 0.0005314600000000 ] - [ -0.0004703200000000, -0.0000755200000000, -0.0005042800000000 ] - [ -0.0002103700000000, -0.0001081200000000, -0.0001521100000000 ] - [ -0.0001966200000000, 0.0000000000000000, -0.0005926100000000 ] - [ -0.0000456600000000, 0.0000000000000000, -0.0001415600000000 ] - [ -0.0003823000000000, 0.0000000000000000, -0.0006951800000000 ] - [ -0.0001632800000000, 0.0000000000000000, -0.0002868000000000 ] - [ -0.0004703200000000, 0.0000755200000000, -0.0005042800000000 ] - [ -0.0002103700000000, 0.0001081200000000, -0.0001521100000000 ]- atom: 69 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ 0.0019737000000000, -0.0025824000000000, 0.0032157100000000 ] - [ 0.0002495100000000, 0.0002051200000000, -0.0000374400000000 ] - [ 0.0019737000000000, 0.0025824000000000, 0.0032157100000000 ] - [ 0.0002495100000000, -0.0002051200000000, -0.0000374400000000 ] - [ -0.0001201800000000, -0.0000050600000000, -0.0000614900000000 ] - [ -0.0000613400000000, 0.0000373000000000, -0.0000345800000000 ] - [ -0.0001201800000000, 0.0000050600000000, -0.0000614900000000 ] - [ -0.0000613400000000, -0.0000373000000000, -0.0000345800000000 ] - [ -0.0000072600000000, -0.0000422800000000, 0.0005831900000000 ] - [ -0.0000072600000000, 0.0000422800000000, 0.0005831900000000 ] - [ -0.0003602500000000, 0.0002867500000000, 0.0005622600000000 ] - [ -0.0002778600000000, -0.0000426700000000, -0.0000254400000000 ] - [ -0.0004562800000000, 0.0019164500000000, 0.0005311000000000 ] - [ -0.0004562800000000, -0.0019164500000000, 0.0005311000000000 ] - [ -0.0004099200000000, -0.0000856000000000, 0.0001388100000000 ] - [ -0.0004099200000000, 0.0000856000000000, 0.0001388100000000 ] - [ 0.0034271400000000, 0.0166242200000000, -0.0122568700000000 ] - [ 0.0004506700000000, 0.0001776900000000, -0.0009181000000000 ] - [ -0.0001609700000000, -0.0003306200000000, 0.0000665500000000 ] - [ -0.0001609700000000, 0.0003306200000000, 0.0000665500000000 ] - [ -0.0030015300000000, 0.0000000000000000, 0.0030564800000000 ] - [ -0.0000276800000000, 0.0000000000000000, 0.0001239000000000 ] - [ -0.0034816300000000, 0.0000000000000000, 0.0032442300000000 ] - [ 0.0006883700000000, 0.0000000000000000, -0.0002660100000000 ] - [ 0.0116995400000000, 0.0000000000000000, -0.0062978600000000 ] - [ -0.0004943600000000, 0.0000000000000000, -0.0001837800000000 ] - [ -0.0003602500000000, -0.0002867500000000, 0.0005622600000000 ] - [ -0.0002778600000000, 0.0000426700000000, -0.0000254400000000 ] - [ 0.0034271400000000, -0.0166242200000000, -0.0122568700000000 ] - [ 0.0004506700000000, -0.0001776900000000, -0.0009181000000000 ] - [ 0.0001716600000000, 0.0000000000000000, -0.0000454700000000 ] - [ 0.0000558100000000, 0.0000000000000000, 0.0001018400000000 ] - [ -0.0000005800000000, 0.0000000000000000, -0.0002441500000000 ] - [ 0.0001497700000000, 0.0000000000000000, -0.0000423500000000 ] - [ -0.0003529500000000, 0.0002216100000000, -0.0008599000000000 ] - [ -0.0002254300000000, -0.0000534500000000, -0.0001321900000000 ] - [ -0.0008627900000000, 0.0000000000000000, -0.0003517100000000 ] - [ -0.0002201100000000, 0.0000000000000000, -0.0001619800000000 ] - [ 0.0002399600000000, 0.0000000000000000, 0.0004928700000000 ] - [ -0.0002750000000000, 0.0000000000000000, 0.0003144300000000 ] - [ -0.0000339900000000, 0.0000013100000000, -0.0000390600000000 ] - [ 0.0001764200000000, 0.0000383000000000, -0.0000443300000000 ] - [ -0.0010558200000000, 0.0000000000000000, 0.0003022300000000 ] - [ 0.0000643700000000, 0.0000000000000000, 0.0000251800000000 ] - [ -0.0003459000000000, 0.0000568300000000, -0.0001915800000000 ] - [ -0.0003459000000000, -0.0000568300000000, -0.0001915800000000 ] - [ 0.0002065900000000, -0.0001046200000000, -0.0001604500000000 ] - [ 0.0002065900000000, 0.0001046200000000, -0.0001604500000000 ] - [ -0.0004174000000000, 0.0001741700000000, 0.0000758600000000 ] - [ -0.0004174000000000, -0.0001741700000000, 0.0000758600000000 ] - [ -0.0003529500000000, -0.0002216100000000, -0.0008599000000000 ] - [ -0.0002254300000000, 0.0000534500000000, -0.0001321900000000 ] - [ -0.0000339900000000, -0.0000013100000000, -0.0000390600000000 ] - [ 0.0001764200000000, -0.0000383000000000, -0.0000443300000000 ] - [ 0.0002748700000000, 0.0001903400000000, 0.0005432900000000 ] - [ 0.0002748700000000, -0.0001903400000000, 0.0005432900000000 ] - [ 0.0001703000000000, -0.0000337100000000, 0.0002206200000000 ] - [ 0.0000250100000000, 0.0001152900000000, -0.0000022500000000 ] - [ 0.0004990700000000, 0.0003301300000000, -0.0014828900000000 ] - [ 0.0002374800000000, -0.0004674900000000, -0.0004040300000000 ] - [ 0.0004990700000000, -0.0003301300000000, -0.0014828900000000 ] - [ 0.0002374800000000, 0.0004674900000000, -0.0004040300000000 ] - [ 0.0001703000000000, 0.0000337100000000, 0.0002206200000000 ] - [ 0.0000250100000000, -0.0001152900000000, -0.0000022500000000 ] - [ -0.0020497500000000, -0.0021248500000000, 0.0017256100000000 ] - [ 0.0001662500000000, -0.0001471000000000, 0.0002313200000000 ] - [ -0.0002300500000000, -0.0000646900000000, 0.0003543700000000 ] - [ -0.0002300500000000, 0.0000646900000000, 0.0003543700000000 ] - [ -0.0116410500000000, 0.0000000000000000, 0.0263042800000000 ] - [ -0.0000128300000000, 0.0000000000000000, 0.0010119500000000 ] - [ 0.0001007200000000, 0.0000223400000000, -0.0005117100000000 ] - [ -0.0000432400000000, 0.0000264800000000, -0.0000036300000000 ] - [ 0.0001007200000000, -0.0000223400000000, -0.0005117100000000 ] - [ -0.0000432400000000, -0.0000264800000000, -0.0000036300000000 ] - [ 0.0022307900000000, -0.0107537700000000, 0.0008600300000000 ] - [ -0.0004338500000000, 0.0004152800000000, 0.0002889100000000 ] - [ 0.0028853300000000, 0.0000000000000000, -0.0092253200000000 ] - [ -0.0000225000000000, 0.0000000000000000, -0.0002507900000000 ] - [ 0.0022307900000000, 0.0107537700000000, 0.0008600300000000 ] - [ -0.0004338500000000, -0.0004152800000000, 0.0002889100000000 ] - [ -0.0020497500000000, 0.0021248500000000, 0.0017256100000000 ] - [ 0.0001662500000000, 0.0001471000000000, 0.0002313200000000 ] - [ -0.0056902000000000, 0.0000000000000000, 0.0001837700000000 ] - [ 0.0001126200000000, 0.0000000000000000, 0.0003502900000000 ] - [ 0.0002434800000000, -0.0003553300000000, -0.0004153000000000 ] - [ -0.0000909400000000, -0.0000390700000000, -0.0001599700000000 ] - [ 0.0000141300000000, 0.0003114700000000, -0.0001509700000000 ] - [ 0.0000141300000000, -0.0003114700000000, -0.0001509700000000 ] - [ -0.0002755100000000, -0.0003611500000000, -0.0011726500000000 ] - [ -0.0002755100000000, 0.0003611500000000, -0.0011726500000000 ] - [ 0.0002434800000000, 0.0003553300000000, -0.0004153000000000 ] - [ -0.0000909400000000, 0.0000390700000000, -0.0001599700000000 ] - [ 0.0006148600000000, 0.0002782400000000, 0.0001568900000000 ] - [ 0.0002355200000000, -0.0002005900000000, 0.0000832500000000 ] - [ -0.0000543900000000, 0.0000000000000000, -0.0010175400000000 ] - [ 0.0000176400000000, 0.0000000000000000, 0.0001079500000000 ] - [ 0.0001718300000000, -0.0000713800000000, 0.0001015600000000 ] - [ 0.0001718300000000, 0.0000713800000000, 0.0001015600000000 ] - [ -0.0006214600000000, -0.0002009500000000, 0.0001739400000000 ] - [ -0.0001352500000000, -0.0000277600000000, 0.0000759800000000 ] - [ -0.0006214600000000, 0.0002009500000000, 0.0001739400000000 ] - [ -0.0001352500000000, 0.0000277600000000, 0.0000759800000000 ] - [ 0.0004447300000000, -0.0002912500000000, -0.0001384800000000 ] - [ 0.0001699000000000, -0.0000392200000000, -0.0000430200000000 ] - [ 0.0000644400000000, -0.0000093600000000, -0.0000518300000000 ] - [ 0.0000644400000000, 0.0000093600000000, -0.0000518300000000 ] - [ 0.0004447300000000, 0.0002912500000000, -0.0001384800000000 ] - [ 0.0001699000000000, 0.0000392200000000, -0.0000430200000000 ] - [ 0.0006148600000000, -0.0002782400000000, 0.0001568900000000 ] - [ 0.0002355200000000, 0.0002005900000000, 0.0000832500000000 ] - [ -0.0000255500000000, -0.0000684200000000, -0.0001028000000000 ] - [ -0.0000255500000000, 0.0000684200000000, -0.0001028000000000 ] - [ 0.0002331700000000, -0.0002260000000000, 0.0003685300000000 ] - [ -0.0000325600000000, -0.0001889800000000, 0.0000112700000000 ] - [ 0.0002219300000000, 0.0000000000000000, 0.0004336300000000 ] - [ 0.0000630400000000, 0.0000000000000000, -0.0000232000000000 ] - [ 0.0001323400000000, 0.0000000000000000, 0.0002670300000000 ] - [ -0.0000872500000000, 0.0000000000000000, -0.0001460900000000 ] - [ 0.0002331700000000, 0.0002260000000000, 0.0003685300000000 ] - [ -0.0000325600000000, 0.0001889800000000, 0.0000112700000000 ]- atom: 71 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ 0.0021171800000000, -0.0011746000000000, 0.0005379700000000 ] - [ 0.0017476000000000, 0.0016081700000000, 0.0004925700000000 ] - [ 0.0068035100000000, -0.0000103000000000, -0.0015457800000000 ] - [ 0.0006499800000000, 0.0001477100000000, 0.0001929600000000 ] - [ -0.0003459300000000, -0.0000745600000000, -0.0007731500000000 ] - [ -0.0004583100000000, 0.0002411400000000, -0.0002306600000000 ] - [ -0.0006532100000000, -0.0001209400000000, -0.0004258100000000 ] - [ -0.0003046900000000, -0.0000977300000000, -0.0003356800000000 ] - [ -0.0010826800000000, 0.0046295700000000, -0.0005660200000000 ] - [ 0.0003553500000000, -0.0005635500000000, 0.0000824200000000 ] - [ 0.0014840900000000, -0.0009274700000000, -0.0007848000000000 ] - [ 0.0019480400000000, 0.0026476600000000, -0.0006051000000000 ] - [ -0.0013699000000000, 0.0010001200000000, -0.0007859800000000 ] - [ -0.0003328800000000, -0.0003913900000000, -0.0001007000000000 ] - [ 0.0151021800000000, 0.0026354200000000, 0.0031255100000000 ] - [ 0.0003906400000000, 0.0012774900000000, 0.0000605500000000 ] - [ 0.0000080900000000, -0.0003012200000000, -0.0004511800000000 ] - [ 0.0003696700000000, 0.0000808400000000, 0.0001248700000000 ] - [ 0.0002306300000000, 0.0007892700000000, 0.0018843600000000 ] - [ 0.0013531400000000, 0.0002565000000000, 0.0007421500000000 ] - [ -0.0018997000000000, -0.0044247600000000, -0.0013809900000000 ] - [ -0.0003852100000000, 0.0007463100000000, -0.0003150500000000 ] - [ -0.0004578100000000, -0.0010153700000000, -0.0010573700000000 ] - [ 0.0001183000000000, 0.0003784600000000, -0.0002210100000000 ] - [ -0.0010432400000000, -0.0014475800000000, 0.0024348200000000 ] - [ -0.0000303600000000, 0.0004972600000000, 0.0003718000000000 ] - [ 0.0288779200000000, -0.0000933800000000, -0.0310684600000000 ] - [ 0.0001547400000000, 0.0000548400000000, -0.0000119900000000 ] - [ 0.0001729000000000, -0.0004013800000000, 0.0001185500000000 ] - [ 0.0001592000000000, 0.0004196200000000, 0.0001889300000000 ] - [ 0.0255278500000000, -0.0121188900000000, -0.0022813600000000 ] - [ -0.0000487500000000, -0.0008524900000000, 0.0006625700000000 ] - [ -0.0013669800000000, -0.0001510800000000, 0.0002716400000000 ] - [ -0.0000155700000000, 0.0000575500000000, -0.0000004200000000 ] - [ -0.0009596000000000, -0.0001337800000000, -0.0004999100000000 ] - [ -0.0005768700000000, 0.0000669000000000, -0.0001678800000000 ] - [ 0.0001051600000000, -0.0006185700000000, 0.0010106600000000 ] - [ -0.0000544600000000, 0.0000624100000000, -0.0000033200000000 ] - [ -0.0012282300000000, -0.0001461400000000, -0.0001562800000000 ] - [ -0.0007040300000000, 0.0001441500000000, 0.0000104500000000 ] - [ 0.0001935000000000, 0.0005671500000000, -0.0011950700000000 ] - [ -0.0000183900000000, -0.0002461200000000, -0.0009247800000000 ] - [ -0.0008960200000000, 0.0003673300000000, -0.0006012000000000 ] - [ -0.0003641900000000, -0.0000560800000000, -0.0002376900000000 ] - [ -0.0012120100000000, -0.0004127900000000, -0.0001081500000000 ] - [ -0.0009030500000000, 0.0007052400000000, -0.0005110600000000 ] - [ 0.0012147700000000, -0.0001461900000000, 0.0004769600000000 ] - [ -0.0001383700000000, 0.0006890500000000, 0.0002347500000000 ] - [ -0.0008404600000000, -0.0004406300000000, -0.0003594700000000 ] - [ -0.0006015600000000, 0.0001913200000000, -0.0003150100000000 ] - [ -0.0008058300000000, -0.0000183600000000, -0.0003220900000000 ] - [ -0.0006469400000000, 0.0000417100000000, -0.0002345100000000 ] - [ -0.0000118500000000, -0.0009613900000000, -0.0028878800000000 ] - [ 0.0001678000000000, 0.0001641800000000, -0.0000677600000000 ] - [ -0.0007010500000000, 0.0001701500000000, -0.0001763000000000 ] - [ -0.0003458800000000, -0.0001857300000000, -0.0000008900000000 ] - [ 0.0027927200000000, -0.0039568600000000, -0.0031832500000000 ] - [ 0.0001586700000000, 0.0002908400000000, -0.0011149300000000 ] - [ 0.0008324900000000, 0.0003922500000000, 0.0006601400000000 ] - [ 0.0003963900000000, -0.0004622500000000, 0.0000682100000000 ] - [ 0.0007290000000000, 0.0001632500000000, 0.0003200400000000 ] - [ 0.0002237600000000, 0.0001016700000000, 0.0001204200000000 ] - [ 0.0016973100000000, 0.0010364300000000, -0.0019971900000000 ] - [ -0.0001137000000000, -0.0003924800000000, -0.0001822000000000 ] - [ -0.0012221900000000, -0.0002352300000000, 0.0009818100000000 ] - [ -0.0002913000000000, -0.0006632900000000, -0.0001401100000000 ] - [ -0.0039532200000000, -0.0019253700000000, -0.0022139000000000 ] - [ -0.0005845400000000, -0.0000978700000000, -0.0003579900000000 ] - [ 0.0001022600000000, 0.0007053800000000, -0.0000628200000000 ] - [ -0.0001933800000000, -0.0005440900000000, -0.0000608600000000 ] - [ -0.0785988100000000, 0.0169616300000000, 0.0387770900000000 ] - [ -0.0006235000000000, 0.0001570700000000, 0.0001250000000000 ] - [ -0.0061767100000000, -0.0023879500000000, 0.0025088800000000 ] - [ -0.0051928100000000, 0.0052918200000000, 0.0005984200000000 ] - [ 0.0030726600000000, -0.0004059800000000, 0.0032237000000000 ] - [ -0.0000007400000000, -0.0000575600000000, -0.0000746900000000 ] - [ 0.0008710100000000, 0.0023682100000000, 0.0012003300000000 ] - [ -0.0001040100000000, -0.0002809700000000, 0.0000608100000000 ] - [ 0.0000896300000000, 0.0006345200000000, -0.0001899000000000 ] - [ 0.0000887300000000, -0.0005235300000000, -0.0000389100000000 ] - [ 0.0000821700000000, 0.0013667500000000, -0.0003696300000000 ] - [ 0.0003752600000000, -0.0004693700000000, 0.0001320200000000 ] - [ -0.0062165000000000, 0.0021107900000000, -0.0029609600000000 ] - [ -0.0002454500000000, -0.0001345300000000, -0.0005425600000000 ] - [ -0.0019215400000000, 0.0014890700000000, -0.0008610500000000 ] - [ -0.0009816400000000, -0.0024702700000000, 0.0001946200000000 ] - [ -0.0001894800000000, -0.0092078700000000, -0.0026259300000000 ] - [ -0.0006686900000000, 0.0001000600000000, 0.0001319300000000 ] - [ 0.0009830100000000, -0.0022396200000000, 0.0008324600000000 ] - [ -0.0002552800000000, 0.0001382500000000, -0.0001710300000000 ] - [ 0.0168616300000000, 0.0000681500000000, -0.0018061800000000 ] - [ -0.0005947000000000, 0.0000907200000000, -0.0002448500000000 ] - [ 0.0008944500000000, -0.0000420700000000, 0.0008709200000000 ] - [ 0.0007028300000000, 0.0000233300000000, 0.0006658300000000 ] - [ 0.0004128300000000, -0.0000458600000000, 0.0008603900000000 ] - [ 0.0002602600000000, -0.0000223900000000, 0.0004646000000000 ] - [ 0.0002336600000000, 0.0008642900000000, 0.0008251000000000 ] - [ 0.0003783800000000, -0.0006724700000000, 0.0003532800000000 ] - [ 0.0003460200000000, 0.0001833800000000, 0.0001006000000000 ] - [ 0.0003464100000000, -0.0001467300000000, 0.0000541700000000 ] - [ 0.0004502200000000, 0.0000065800000000, 0.0001450400000000 ] - [ 0.0002566500000000, -0.0000329800000000, 0.0000507100000000 ] - [ -0.0002112200000000, 0.0000360200000000, 0.0004150200000000 ] - [ -0.0003784000000000, -0.0003629000000000, 0.0002349600000000 ] - [ 0.0001879100000000, 0.0002330700000000, -0.0009043400000000 ] - [ 0.0004727700000000, -0.0002517400000000, -0.0002150400000000 ] - [ -0.0007910300000000, 0.0004592100000000, 0.0002850400000000 ] - [ 0.0001424200000000, -0.0002926000000000, 0.0001016900000000 ] - [ 0.0018356200000000, 0.0000431400000000, 0.0020824700000000 ] - [ 0.0004203800000000, -0.0000601700000000, 0.0002494400000000 ] - [ 0.0005555000000000, 0.0001219200000000, 0.0008986500000000 ] - [ 0.0004552300000000, -0.0000471000000000, 0.0005753900000000 ] - [ 0.0007320100000000, 0.0000236500000000, 0.0003461900000000 ] - [ 0.0004186700000000, -0.0005171000000000, 0.0001672900000000 ] - [ 0.0011928200000000, 0.0001446500000000, 0.0001485200000000 ] - [ 0.0003658900000000, -0.0001115500000000, 0.0000120000000000 ] - [ -0.0002742800000000, -0.0000159900000000, -0.0009362900000000 ] - [ -0.0001398700000000, -0.0000255800000000, -0.0003194200000000 ] - [ 0.0005406500000000, -0.0000885600000000, 0.0001917500000000 ] - [ 0.0005164700000000, 0.0004797800000000, 0.0002253800000000 ]- atom: 71 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ -0.0020914300000000, 0.0011640600000000, -0.0005479300000000 ] - [ -0.0017268100000000, -0.0016041700000000, -0.0004988300000000 ] - [ -0.0065848700000000, -0.0000089300000000, 0.0018950500000000 ] - [ -0.0006595500000000, -0.0001482800000000, -0.0001898900000000 ] - [ 0.0003423100000000, 0.0000697400000000, 0.0007875800000000 ] - [ 0.0004632300000000, -0.0002454200000000, 0.0002304100000000 ] - [ 0.0006586800000000, 0.0001079500000000, 0.0004211200000000 ] - [ 0.0002881600000000, 0.0000882300000000, 0.0003419200000000 ] - [ 0.0015070000000000, -0.0046136500000000, 0.0005872400000000 ] - [ 0.0000520600000000, 0.0005636300000000, -0.0000625900000000 ] - [ -0.0019831600000000, 0.0009703100000000, 0.0007864500000000 ] - [ -0.0024463700000000, -0.0026221600000000, 0.0005952600000000 ] - [ 0.0010740100000000, -0.0009987600000000, 0.0005312500000000 ] - [ 0.0000351500000000, 0.0003893000000000, -0.0001537900000000 ] - [ -0.0157956200000000, -0.0028638500000000, -0.0028326700000000 ] - [ -0.0010618400000000, -0.0012782500000000, 0.0002182900000000 ] - [ 0.0004938500000000, 0.0003371200000000, 0.0004554400000000 ] - [ 0.0001345500000000, -0.0000499200000000, -0.0001242700000000 ] - [ 0.0000285500000000, -0.0007762000000000, -0.0017479700000000 ] - [ -0.0010808700000000, -0.0002554400000000, -0.0006240700000000 ] - [ 0.0016393300000000, 0.0044126900000000, 0.0012558700000000 ] - [ 0.0001121400000000, -0.0007472700000000, 0.0001945900000000 ] - [ 0.0011322600000000, 0.0010169100000000, 0.0007784500000000 ] - [ 0.0005569900000000, -0.0003801600000000, -0.0000555900000000 ] - [ 0.0006325200000000, 0.0014407300000000, -0.0024453100000000 ] - [ -0.0003823900000000, -0.0005019800000000, -0.0003880500000000 ] - [ -0.0287055800000000, -0.0000269400000000, 0.0297965100000000 ] - [ -0.0006563500000000, -0.0000911400000000, 0.0000128200000000 ] - [ 0.0003313600000000, 0.0003662300000000, -0.0001142300000000 ] - [ 0.0003470800000000, -0.0004514200000000, -0.0001821900000000 ] - [ -0.0256136000000000, 0.0128052000000000, 0.0027885500000000 ] - [ 0.0003450800000000, 0.0008439900000000, -0.0004084000000000 ] - [ 0.0017774500000000, 0.0001520700000000, -0.0002558800000000 ] - [ 0.0004184200000000, -0.0000589700000000, 0.0000217700000000 ] - [ 0.0004554000000000, 0.0001733000000000, 0.0005009800000000 ] - [ 0.0000758800000000, -0.0000321000000000, 0.0001698100000000 ] - [ -0.0003994400000000, 0.0006100600000000, -0.0012604300000000 ] - [ -0.0002502800000000, -0.0000666600000000, -0.0002495500000000 ] - [ 0.0005570800000000, 0.0001440200000000, 0.0004368900000000 ] - [ 0.0000339700000000, -0.0001411600000000, 0.0002725000000000 ] - [ 0.0003054700000000, -0.0005311100000000, 0.0011950200000000 ] - [ 0.0005199900000000, 0.0002812800000000, 0.0009183100000000 ] - [ 0.0011709500000000, -0.0003681700000000, 0.0007205700000000 ] - [ 0.0006404100000000, 0.0000540700000000, 0.0003541900000000 ] - [ 0.0009311100000000, 0.0004160200000000, -0.0000097600000000 ] - [ 0.0006263600000000, -0.0007036200000000, 0.0003910500000000 ] - [ -0.0005390400000000, 0.0001544000000000, -0.0007544000000000 ] - [ 0.0008071200000000, -0.0006882100000000, -0.0005127100000000 ] - [ 0.0004294700000000, 0.0004462700000000, 0.0003393100000000 ] - [ 0.0001977500000000, -0.0001941300000000, 0.0002925500000000 ] - [ 0.0003039500000000, -0.0000205700000000, 0.0003213300000000 ] - [ 0.0001434600000000, -0.0000759600000000, 0.0002372200000000 ] - [ 0.0005122900000000, 0.0009401900000000, 0.0029059600000000 ] - [ 0.0003326800000000, -0.0002033400000000, 0.0000624100000000 ] - [ 0.0010028000000000, -0.0001680200000000, 0.0004311300000000 ] - [ 0.0006435800000000, 0.0001831400000000, 0.0002605200000000 ] - [ -0.0027931500000000, 0.0042259200000000, 0.0031803400000000 ] - [ -0.0001525800000000, -0.0000113000000000, 0.0011063200000000 ] - [ -0.0008306300000000, -0.0006626600000000, -0.0006570200000000 ] - [ -0.0003957200000000, 0.0001880700000000, -0.0000687100000000 ] - [ -0.0007280800000000, 0.0001097800000000, -0.0003189100000000 ] - [ -0.0002239200000000, 0.0001732800000000, -0.0001197800000000 ] - [ -0.0017256100000000, -0.0013108800000000, 0.0020222000000000 ] - [ 0.0001138600000000, 0.0001202300000000, 0.0001812300000000 ] - [ 0.0014464900000000, -0.0000657100000000, -0.0008278900000000 ] - [ 0.0005276400000000, 0.0003661400000000, 0.0002885000000000 ] - [ 0.0039132800000000, 0.0019559500000000, 0.0025115400000000 ] - [ 0.0005525500000000, 0.0000975800000000, 0.0006960700000000 ] - [ -0.0001254500000000, -0.0007038100000000, 0.0002347500000000 ] - [ 0.0001736300000000, 0.0005444200000000, 0.0002316800000000 ] - [ 0.0777243700000000, -0.0171471600000000, -0.0379268500000000 ] - [ 0.0004436700000000, -0.0000374300000000, -0.0000690400000000 ] - [ 0.0060225400000000, 0.0022738900000000, -0.0024685500000000 ] - [ 0.0049997000000000, -0.0054127900000000, -0.0005400300000000 ] - [ -0.0028856300000000, 0.0002845100000000, -0.0032745000000000 ] - [ 0.0001762500000000, -0.0000616800000000, 0.0000189500000000 ] - [ -0.0008402600000000, -0.0023695400000000, -0.0015385300000000 ] - [ 0.0001325500000000, 0.0002828100000000, -0.0003992600000000 ] - [ 0.0000853500000000, -0.0005136900000000, 0.0001345100000000 ] - [ 0.0000856200000000, 0.0006425800000000, -0.0000174500000000 ] - [ 0.0001538600000000, -0.0010738400000000, 0.0005137200000000 ] - [ -0.0001390900000000, 0.0007709100000000, 0.0000078000000000 ] - [ 0.0064695500000000, -0.0021395700000000, 0.0033696900000000 ] - [ 0.0004904500000000, 0.0001370700000000, 0.0009760200000000 ] - [ 0.0016743300000000, -0.0017794800000000, 0.0007116000000000 ] - [ 0.0007345600000000, 0.0021674400000000, -0.0003377300000000 ] - [ 0.0002060400000000, 0.0091777200000000, 0.0024223100000000 ] - [ 0.0006840600000000, -0.0000984100000000, -0.0003059900000000 ] - [ -0.0012291200000000, 0.0022363400000000, -0.0012678800000000 ] - [ 0.0000071600000000, -0.0001369000000000, -0.0002645600000000 ] - [ -0.0168506700000000, 0.0002350300000000, 0.0015766200000000 ] - [ 0.0003540300000000, 0.0002056700000000, 0.0000975000000000 ] - [ -0.0006548800000000, -0.0002510500000000, -0.0007246200000000 ] - [ -0.0004614200000000, -0.0003226100000000, -0.0005140600000000 ] - [ -0.0004437600000000, 0.0000480500000000, -0.0005243100000000 ] - [ -0.0002929200000000, 0.0000231500000000, -0.0001260300000000 ] - [ -0.0002470000000000, -0.0008734600000000, -0.0006490700000000 ] - [ -0.0003967600000000, 0.0006768000000000, -0.0001806900000000 ] - [ -0.0005219800000000, -0.0000632900000000, -0.0000461600000000 ] - [ -0.0005217300000000, 0.0002650200000000, 0.0000022000000000 ] - [ -0.0006273600000000, -0.0001257500000000, -0.0000895000000000 ] - [ -0.0004330100000000, -0.0000855600000000, 0.0000033900000000 ] - [ 0.0003862700000000, -0.0001517600000000, -0.0004694700000000 ] - [ 0.0005536700000000, 0.0002393000000000, -0.0002901700000000 ] - [ -0.0001585200000000, -0.0002365700000000, 0.0005605700000000 ] - [ -0.0004444500000000, 0.0002532300000000, -0.0001219500000000 ] - [ 0.0009686000000000, -0.0003417100000000, -0.0003446700000000 ] - [ 0.0000357700000000, 0.0004150100000000, -0.0001587300000000 ] - [ -0.0016119200000000, 0.0002521300000000, -0.0019552800000000 ] - [ -0.0001797200000000, 0.0003573500000000, -0.0001038300000000 ] - [ -0.0003098800000000, -0.0001240400000000, -0.0004645300000000 ] - [ -0.0002078100000000, 0.0000493300000000, -0.0001384500000000 ] - [ -0.0009712200000000, -0.0003245900000000, -0.0004913300000000 ] - [ -0.0006593700000000, 0.0002219400000000, -0.0003125000000000 ] - [ -0.0011738700000000, -0.0001451400000000, -0.0003207100000000 ] - [ -0.0003472500000000, 0.0001120800000000, -0.0001817700000000 ] - [ 0.0000238500000000, 0.0000160300000000, 0.0004995900000000 ] - [ -0.0001036000000000, 0.0000257500000000, -0.0001157200000000 ] - [ -0.0007795000000000, 0.0003868900000000, -0.0003408500000000 ] - [ -0.0007545900000000, -0.0001819600000000, -0.0003698500000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032954700000000, -0.0025537000000000, -0.0017054900000000 ] - [ 0.0030677300000000, -0.0023413900000000, 0.0019804600000000 ] - [ 0.0000460000000000, 0.0100550500000000, 0.0000304000000000 ] - [ -0.0001656800000000, -0.0019163700000000, -0.0000464400000000 ] - [ 0.0000045200000000, 0.0011752800000000, 0.0000247700000000 ] - [ 0.0001737600000000, -0.0010184000000000, 0.0000329400000000 ] - [ 0.0005949600000000, 0.0000475100000000, 0.0003488700000000 ] - [ -0.0003344900000000, -0.0001943300000000, -0.0004205000000000 ] - [ 0.0022486600000000, 0.0017801200000000, 0.0008840800000000 ] - [ -0.0000851000000000, -0.0010173800000000, -0.0001729700000000 ] - [ -0.0023201300000000, -0.0014055300000000, 0.0018571700000000 ] - [ 0.0008220900000000, -0.0014189000000000, -0.0011752100000000 ] - [ 0.0002966700000000, 0.0004509300000000, 0.0003140300000000 ] - [ -0.0003563600000000, -0.0005231900000000, -0.0003022200000000 ] - [ 0.0113510500000000, 0.0073893400000000, 0.0039480100000000 ] - [ -0.0006376900000000, -0.0040061100000000, 0.0002249100000000 ] - [ 0.0002130800000000, 0.0007987400000000, 0.0000572700000000 ] - [ 0.0001397600000000, -0.0004531200000000, -0.0000338300000000 ] - [ -0.0013369600000000, 0.0017756200000000, 0.0032886800000000 ] - [ -0.0007312600000000, -0.0016902800000000, -0.0005527400000000 ] - [ -0.0009603000000000, 0.0009784600000000, -0.0000871300000000 ] - [ 0.0003424500000000, -0.0012362200000000, 0.0000927400000000 ] - [ 0.0000355100000000, 0.0006622900000000, -0.0002691500000000 ] - [ 0.0005297200000000, -0.0005694100000000, 0.0000673900000000 ] - [ -0.0000080300000000, 0.0015928200000000, -0.0034393200000000 ] - [ 0.0001116500000000, -0.0013027900000000, 0.0002325600000000 ] - [ -0.0008844200000000, 0.0096380400000000, -0.0014406300000000 ] - [ -0.0002409900000000, -0.0013480900000000, 0.0002486000000000 ] - [ -0.0002290400000000, -0.0001070500000000, -0.0003646600000000 ] - [ 0.0007368500000000, -0.0001923600000000, 0.0003438300000000 ] - [ -0.0170792700000000, 0.0205809000000000, 0.0014288200000000 ] - [ -0.0009081500000000, -0.0038474200000000, 0.0007661800000000 ] - [ 0.0017648000000000, 0.0008587200000000, -0.0000961300000000 ] - [ -0.0000959700000000, -0.0007572400000000, -0.0000678600000000 ] - [ -0.0002891300000000, 0.0004710400000000, 0.0000026200000000 ] - [ -0.0001153400000000, -0.0002868700000000, 0.0000798700000000 ] - [ 0.0009559600000000, 0.0017053800000000, -0.0006219800000000 ] - [ -0.0009060200000000, -0.0016807400000000, -0.0002012100000000 ] - [ -0.0002487600000000, 0.0003569200000000, 0.0000778100000000 ] - [ -0.0002597400000000, -0.0003623700000000, 0.0001445700000000 ] - [ 0.0005999700000000, -0.0005570900000000, 0.0013664300000000 ] - [ -0.0007340900000000, -0.0000133800000000, -0.0020302200000000 ] - [ 0.0002391600000000, 0.0006440000000000, 0.0001732400000000 ] - [ 0.0000546100000000, -0.0007890800000000, 0.0000015000000000 ] - [ -0.0015662000000000, 0.0011033000000000, -0.0000442200000000 ] - [ 0.0009609700000000, -0.0013027200000000, 0.0005729300000000 ] - [ 0.0001397200000000, 0.0013656000000000, -0.0007812500000000 ] - [ 0.0013400000000000, -0.0015122500000000, -0.0004542400000000 ] - [ -0.0005625100000000, 0.0007319200000000, -0.0001627000000000 ] - [ -0.0000042000000000, -0.0005828800000000, 0.0001541600000000 ] - [ -0.0000225900000000, -0.0000833400000000, 0.0001121000000000 ] - [ -0.0003886200000000, -0.0000882600000000, -0.0000449500000000 ] - [ -0.0000016700000000, 0.0015508900000000, 0.0001233800000000 ] - [ 0.0003192300000000, -0.0007831300000000, -0.0000506200000000 ] - [ 0.0002660900000000, 0.0003746800000000, 0.0000655900000000 ] - [ 0.0001937400000000, -0.0003672700000000, 0.0001899900000000 ] - [ -0.0034106300000000, 0.0055746300000000, 0.0036443100000000 ] - [ 0.0016876800000000, 0.0011873500000000, -0.0016923900000000 ] - [ 0.0000030800000000, -0.0001730800000000, -0.0000504900000000 ] - [ -0.0001228200000000, -0.0000637900000000, -0.0000296800000000 ] - [ -0.0000146000000000, -0.0003144300000000, 0.0000063300000000 ] - [ -0.0000657300000000, 0.0005553800000000, -0.0000604400000000 ] - [ -0.0001072700000000, -0.0035897100000000, 0.0005514600000000 ] - [ 0.0000340400000000, 0.0012212100000000, -0.0000511900000000 ] - [ -0.0001503600000000, -0.0026535500000000, -0.0006520300000000 ] - [ 0.0006007300000000, 0.0015091000000000, 0.0003316600000000 ] - [ -0.0008538600000000, 0.0045431600000000, -0.0092340100000000 ] - [ 0.0003281400000000, 0.0012837300000000, 0.0007035400000000 ] - [ 0.0009411500000000, -0.0007513400000000, 0.0006454300000000 ] - [ -0.0003171300000000, 0.0007270900000000, -0.0000436900000000 ] - [ 0.0177986800000000, -0.0647440600000000, -0.0129837700000000 ] - [ 0.0000116000000000, 0.0023163800000000, 0.0002632400000000 ] - [ 0.0022342800000000, 0.0056393200000000, -0.0013633000000000 ] - [ -0.0054234800000000, 0.0077305000000000, 0.0000413800000000 ] - [ -0.0002710500000000, -0.0004758700000000, -0.0006277900000000 ] - [ 0.0000903800000000, 0.0004725300000000, 0.0000266600000000 ] - [ 0.0006804100000000, -0.0013081500000000, 0.0003444200000000 ] - [ -0.0004314900000000, 0.0010393800000000, -0.0004394200000000 ] - [ 0.0006692300000000, 0.0001552900000000, 0.0002888400000000 ] - [ -0.0004843800000000, 0.0001609600000000, -0.0004783300000000 ] - [ 0.0003065200000000, 0.0007905900000000, 0.0009785900000000 ] - [ -0.0000692100000000, 0.0010442500000000, -0.0013206800000000 ] - [ 0.0028141100000000, 0.0020915400000000, 0.0109021400000000 ] - [ 0.0000545300000000, 0.0012166400000000, -0.0004334700000000 ] - [ 0.0014567400000000, 0.0001971800000000, 0.0001829700000000 ] - [ -0.0022476500000000, 0.0002325300000000, -0.0008731600000000 ] - [ -0.0080898900000000, 0.0054216200000000, 0.0075522300000000 ] - [ 0.0006241900000000, 0.0020201100000000, -0.0002915500000000 ] - [ -0.0009064000000000, -0.0007404400000000, -0.0010205100000000 ] - [ 0.0002737000000000, 0.0008253800000000, -0.0000136600000000 ] - [ 0.0002570400000000, -0.0039258900000000, -0.0001914100000000 ] - [ 0.0000797100000000, 0.0010799900000000, 0.0000588800000000 ] - [ -0.0007704400000000, -0.0001368600000000, -0.0008513000000000 ] - [ 0.0012643900000000, -0.0001929200000000, 0.0012150000000000 ] - [ -0.0000334300000000, -0.0003522700000000, 0.0001069500000000 ] - [ -0.0000605000000000, 0.0003914100000000, 0.0002280100000000 ] - [ 0.0009048000000000, -0.0012702400000000, 0.0008786700000000 ] - [ -0.0004634500000000, 0.0012271400000000, -0.0000611700000000 ] - [ -0.0002937200000000, 0.0000900800000000, 0.0000271700000000 ] - [ 0.0000340000000000, 0.0000927500000000, 0.0000379100000000 ] - [ -0.0001558100000000, -0.0004933900000000, 0.0000653800000000 ] - [ -0.0001150700000000, 0.0003072600000000, -0.0000235200000000 ] - [ 0.0001841000000000, -0.0000330800000000, -0.0004697300000000 ] - [ -0.0002125700000000, -0.0001211200000000, 0.0005399100000000 ] - [ 0.0006196700000000, -0.0004570600000000, -0.0003283000000000 ] - [ -0.0006446500000000, 0.0005590900000000, -0.0002797500000000 ] - [ -0.0003101500000000, -0.0013895800000000, 0.0000594000000000 ] - [ 0.0004414200000000, 0.0014952700000000, -0.0002964700000000 ] - [ 0.0001876300000000, -0.0004920600000000, -0.0000128300000000 ] - [ -0.0000946400000000, 0.0007117700000000, -0.0000398400000000 ] - [ 0.0001396200000000, -0.0003493800000000, 0.0004073000000000 ] - [ 0.0000468700000000, 0.0003028100000000, 0.0000717000000000 ] - [ 0.0003282000000000, -0.0017475000000000, 0.0002336500000000 ] - [ -0.0005790700000000, 0.0009995200000000, -0.0002787300000000 ] - [ -0.0007609500000000, -0.0004654300000000, -0.0002401600000000 ] - [ 0.0001387200000000, 0.0004599200000000, -0.0000385400000000 ] - [ -0.0005681700000000, -0.0004771100000000, -0.0001679400000000 ] - [ 0.0002221800000000, 0.0004461500000000, -0.0000635000000000 ] - [ -0.0004355800000000, 0.0002212800000000, -0.0001955800000000 ] - [ 0.0002260600000000, 0.0005991300000000, 0.0001349200000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032985200000000, 0.0025566600000000, 0.0016837900000000 ] - [ -0.0030738000000000, 0.0023474000000000, -0.0019941300000000 ] - [ -0.0000055700000000, -0.0100532000000000, 0.0000519200000000 ] - [ 0.0001476700000000, 0.0019145400000000, 0.0000450800000000 ] - [ -0.0000050400000000, -0.0011865800000000, -0.0000141600000000 ] - [ -0.0001641400000000, 0.0010169300000000, -0.0000275600000000 ] - [ -0.0005845600000000, -0.0000543700000000, -0.0003547800000000 ] - [ 0.0003237000000000, 0.0001849500000000, 0.0004325900000000 ] - [ -0.0018410000000000, -0.0018315800000000, -0.0008747200000000 ] - [ 0.0004871200000000, 0.0010246100000000, 0.0001899400000000 ] - [ 0.0018000800000000, 0.0014431200000000, -0.0018496700000000 ] - [ -0.0013232600000000, 0.0014486700000000, 0.0011581200000000 ] - [ -0.0005837300000000, -0.0004648900000000, -0.0005654000000000 ] - [ 0.0000584500000000, 0.0005293000000000, 0.0000472900000000 ] - [ -0.0125969800000000, -0.0084893300000000, -0.0037128400000000 ] - [ -0.0000317100000000, 0.0039905800000000, 0.0000528000000000 ] - [ 0.0002911200000000, -0.0007605600000000, -0.0000496000000000 ] - [ 0.0003621400000000, 0.0004861400000000, 0.0000301800000000 ] - [ 0.0016105900000000, -0.0017983200000000, -0.0031902800000000 ] - [ 0.0009972600000000, 0.0016947700000000, 0.0006651400000000 ] - [ 0.0006977900000000, -0.0009339900000000, -0.0000228900000000 ] - [ -0.0006169500000000, 0.0012328200000000, -0.0002127700000000 ] - [ 0.0006436400000000, -0.0006497700000000, -0.0000025900000000 ] - [ 0.0001442700000000, 0.0005651100000000, -0.0003459900000000 ] - [ -0.0003863600000000, -0.0015776600000000, 0.0034110200000000 ] - [ -0.0005276700000000, 0.0012995300000000, -0.0002527100000000 ] - [ 0.0002331000000000, -0.0096745800000000, 0.0016392400000000 ] - [ -0.0002645600000000, 0.0013111700000000, -0.0002464600000000 ] - [ 0.0007326500000000, 0.0000758700000000, 0.0003624400000000 ] - [ -0.0002346100000000, 0.0001556600000000, -0.0003433600000000 ] - [ 0.0164600300000000, -0.0195662300000000, -0.0008296500000000 ] - [ 0.0011986100000000, 0.0038573000000000, -0.0005162100000000 ] - [ -0.0013463100000000, -0.0008575200000000, 0.0001096100000000 ] - [ 0.0005027400000000, 0.0007585500000000, 0.0000916700000000 ] - [ -0.0002081400000000, -0.0004293200000000, 0.0000070700000000 ] - [ -0.0003825800000000, 0.0003218100000000, -0.0000745900000000 ] - [ -0.0012579000000000, -0.0016952700000000, 0.0003618500000000 ] - [ 0.0006090100000000, 0.0016856700000000, -0.0000530800000000 ] - [ -0.0004122200000000, -0.0003581600000000, 0.0002035300000000 ] - [ -0.0004070700000000, 0.0003641700000000, 0.0001399900000000 ] - [ -0.0000979500000000, 0.0005964800000000, -0.0013628900000000 ] - [ 0.0012494400000000, 0.0000503500000000, 0.0020524400000000 ] - [ 0.0000408900000000, -0.0006366300000000, -0.0000518400000000 ] - [ 0.0002274300000000, 0.0007892000000000, 0.0001169900000000 ] - [ 0.0013083900000000, -0.0011126600000000, -0.0000774300000000 ] - [ -0.0012331100000000, 0.0013053400000000, -0.0006896000000000 ] - [ 0.0005275100000000, -0.0013816000000000, 0.0005005300000000 ] - [ -0.0006681500000000, 0.0015161200000000, 0.0001735500000000 ] - [ 0.0001598100000000, -0.0007408700000000, 0.0001456800000000 ] - [ -0.0003946600000000, 0.0005848400000000, -0.0001745900000000 ] - [ -0.0004745500000000, 0.0000431200000000, -0.0001074500000000 ] - [ -0.0001092600000000, 0.0000528900000000, 0.0000537100000000 ] - [ 0.0004986200000000, -0.0015963000000000, -0.0001251900000000 ] - [ 0.0001845400000000, 0.0007458500000000, 0.0000452000000000 ] - [ 0.0000402800000000, -0.0003784600000000, 0.0001891500000000 ] - [ 0.0001086800000000, 0.0003713900000000, 0.0000688400000000 ] - [ 0.0034037400000000, -0.0052861700000000, -0.0036337800000000 ] - [ -0.0016997900000000, -0.0009205700000000, 0.0017116800000000 ] - [ -0.0000086800000000, -0.0001069700000000, 0.0000463600000000 ] - [ 0.0001215900000000, -0.0002071400000000, 0.0000290600000000 ] - [ 0.0000109700000000, 0.0005902600000000, -0.0000082400000000 ] - [ 0.0000651700000000, -0.0002818300000000, 0.0000604300000000 ] - [ 0.0001049900000000, 0.0033101400000000, -0.0005372100000000 ] - [ -0.0000347900000000, -0.0014954200000000, 0.0000521300000000 ] - [ 0.0004002600000000, 0.0023657900000000, 0.0007911500000000 ] - [ -0.0003596500000000, -0.0018067900000000, -0.0001804000000000 ] - [ 0.0008288000000000, -0.0045659200000000, 0.0096775700000000 ] - [ -0.0003538600000000, -0.0012834700000000, -0.0003573500000000 ] - [ -0.0009650800000000, 0.0007467400000000, -0.0004733300000000 ] - [ 0.0003024400000000, -0.0007242000000000, 0.0002158000000000 ] - [ -0.0163790200000000, 0.0650674400000000, 0.0123908300000000 ] - [ -0.0001824600000000, -0.0021983900000000, -0.0002087400000000 ] - [ -0.0024350200000000, -0.0057096600000000, 0.0014387200000000 ] - [ 0.0052806500000000, -0.0078576000000000, 0.0000192300000000 ] - [ 0.0004170600000000, 0.0003612000000000, 0.0005388300000000 ] - [ 0.0000874700000000, -0.0005939000000000, -0.0000829100000000 ] - [ -0.0006580200000000, 0.0012869300000000, -0.0006912700000000 ] - [ 0.0004627400000000, -0.0010388700000000, 0.0001002700000000 ] - [ -0.0004944500000000, -0.0000416400000000, -0.0003423800000000 ] - [ 0.0006624200000000, -0.0000361000000000, 0.0004223600000000 ] - [ -0.0000686000000000, -0.0005092900000000, -0.0008292600000000 ] - [ 0.0003068500000000, -0.0007449200000000, 0.0014727700000000 ] - [ -0.0025581900000000, -0.0020984000000000, -0.0103884200000000 ] - [ 0.0001964400000000, -0.0012160600000000, 0.0008716500000000 ] - [ -0.0016800700000000, -0.0005017600000000, -0.0003219400000000 ] - [ 0.0020203100000000, -0.0005208200000000, 0.0007330700000000 ] - [ 0.0082466600000000, -0.0055181300000000, -0.0078167100000000 ] - [ -0.0006009200000000, -0.0020205300000000, 0.0001206400000000 ] - [ 0.0006486200000000, 0.0007661200000000, 0.0005855800000000 ] - [ -0.0005201700000000, -0.0008279500000000, -0.0004206500000000 ] - [ -0.0006295200000000, 0.0042208200000000, 0.0000183700000000 ] - [ -0.0003152300000000, -0.0007850500000000, -0.0002043800000000 ] - [ 0.0010040400000000, -0.0001617700000000, 0.0009931000000000 ] - [ -0.0010381300000000, -0.0001029100000000, -0.0010780600000000 ] - [ -0.0000001200000000, 0.0003521600000000, 0.0002280200000000 ] - [ 0.0000273800000000, -0.0003917700000000, 0.0001080100000000 ] - [ -0.0009338000000000, 0.0012763900000000, -0.0007181100000000 ] - [ 0.0004407500000000, -0.0012287500000000, 0.0002306600000000 ] - [ 0.0001167400000000, 0.0000261600000000, 0.0000268000000000 ] - [ -0.0002131100000000, 0.0000284400000000, 0.0000185300000000 ] - [ -0.0000237400000000, 0.0003771200000000, -0.0000095100000000 ] - [ -0.0000638800000000, -0.0004281100000000, 0.0000779800000000 ] - [ -0.0000059500000000, -0.0000898200000000, 0.0004096400000000 ] - [ 0.0003931800000000, 0.0000067600000000, -0.0006010800000000 ] - [ -0.0005963100000000, 0.0004586000000000, -0.0000036600000000 ] - [ 0.0006698700000000, -0.0005599500000000, -0.0000584900000000 ] - [ 0.0004919000000000, 0.0015129700000000, -0.0001113900000000 ] - [ -0.0002673000000000, -0.0013785700000000, 0.0002387400000000 ] - [ 0.0000533700000000, 0.0007939500000000, 0.0001634400000000 ] - [ 0.0003320700000000, -0.0004163500000000, 0.0001829800000000 ] - [ 0.0001031800000000, 0.0003527200000000, 0.0000227600000000 ] - [ 0.0001991200000000, -0.0003033900000000, 0.0003629000000000 ] - [ -0.0005791800000000, 0.0014571400000000, -0.0003832200000000 ] - [ 0.0003349900000000, -0.0012963300000000, 0.0001315400000000 ] - [ 0.0007709100000000, 0.0004655800000000, 0.0000670700000000 ] - [ -0.0001242900000000, -0.0004594400000000, -0.0001323500000000 ] - [ 0.0003228000000000, 0.0004767100000000, -0.0002600700000000 ] - [ -0.0004701400000000, -0.0004468400000000, -0.0003726800000000 ] - [ 0.0001917800000000, 0.0000746800000000, 0.0000442400000000 ] - [ -0.0004720100000000, -0.0003063300000000, -0.0002842500000000 ]- atom: 71 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ -0.0021933300000000, -0.0017408900000000, -0.0002301500000000 ] - [ -0.0014346900000000, 0.0007280100000000, 0.0004268000000000 ] - [ -0.0074531100000000, 0.0011083800000000, 0.0031320200000000 ] - [ -0.0003106000000000, -0.0002882400000000, 0.0000294100000000 ] - [ 0.0000048200000000, 0.0000289500000000, -0.0002607900000000 ] - [ 0.0001725300000000, -0.0002685900000000, 0.0000725300000000 ] - [ 0.0001799000000000, 0.0003044400000000, 0.0001939500000000 ] - [ -0.0001145200000000, -0.0001126800000000, -0.0000382600000000 ] - [ 0.0023219500000000, -0.0036348200000000, 0.0024147100000000 ] - [ 0.0002515700000000, 0.0001853200000000, 0.0001152400000000 ] - [ -0.0014218200000000, 0.0013318900000000, 0.0015193800000000 ] - [ -0.0016949200000000, -0.0030749900000000, -0.0000123900000000 ] - [ -0.0002598200000000, 0.0003785500000000, 0.0002636200000000 ] - [ -0.0002154600000000, -0.0000000500000000, -0.0001254800000000 ] - [ -0.0059049000000000, 0.0037515800000000, 0.0043720000000000 ] - [ -0.0007778500000000, -0.0013630100000000, 0.0003292400000000 ] - [ 0.0011208700000000, 0.0000182000000000, -0.0006605900000000 ] - [ 0.0002097500000000, -0.0000675800000000, -0.0001076800000000 ] - [ 0.0028661900000000, -0.0002938600000000, -0.0034263700000000 ] - [ -0.0005503800000000, -0.0004029300000000, -0.0004304900000000 ] - [ 0.0009734500000000, 0.0037945300000000, 0.0019804500000000 ] - [ 0.0001957600000000, -0.0007117600000000, 0.0003429100000000 ] - [ 0.0001852000000000, -0.0003315400000000, -0.0002310200000000 ] - [ 0.0004286000000000, -0.0000898500000000, -0.0001013400000000 ] - [ 0.0028606900000000, 0.0010783800000000, -0.0054636700000000 ] - [ -0.0001163400000000, -0.0002878600000000, -0.0002663200000000 ] - [ -0.0407690100000000, -0.0012794900000000, 0.0645177900000000 ] - [ -0.0004482900000000, -0.0001159400000000, 0.0000799300000000 ] - [ 0.0003973900000000, 0.0000010100000000, -0.0002308900000000 ] - [ 0.0004318800000000, -0.0001227000000000, -0.0002458300000000 ] - [ -0.0154653400000000, 0.0062441100000000, 0.0063830000000000 ] - [ 0.0003348200000000, 0.0001399000000000, 0.0000025900000000 ] - [ 0.0013641500000000, 0.0001878300000000, -0.0003910800000000 ] - [ 0.0002454600000000, -0.0001373800000000, -0.0000522300000000 ] - [ -0.0001186600000000, 0.0000881100000000, -0.0000313700000000 ] - [ -0.0001056900000000, -0.0000434500000000, 0.0000635300000000 ] - [ -0.0006997100000000, 0.0012274500000000, -0.0017426500000000 ] - [ -0.0002593200000000, -0.0003945400000000, -0.0003234300000000 ] - [ -0.0000161900000000, 0.0000625200000000, 0.0000989800000000 ] - [ -0.0001927700000000, -0.0000920000000000, 0.0001950100000000 ] - [ 0.0001770400000000, -0.0002584600000000, 0.0011283500000000 ] - [ 0.0002759000000000, 0.0000543200000000, 0.0005967700000000 ] - [ 0.0003654100000000, 0.0003757500000000, 0.0002822600000000 ] - [ 0.0003020100000000, -0.0000576800000000, 0.0001613100000000 ] - [ 0.0004101000000000, 0.0004678500000000, -0.0000639900000000 ] - [ 0.0004272800000000, -0.0005314600000000, 0.0002420400000000 ] - [ -0.0005799100000000, -0.0004392100000000, -0.0012170800000000 ] - [ 0.0007189400000000, -0.0004708800000000, -0.0004158700000000 ] - [ -0.0000816200000000, -0.0001529800000000, 0.0000995200000000 ] - [ -0.0000006100000000, -0.0001702400000000, 0.0001582900000000 ] - [ -0.0000415600000000, -0.0000426800000000, 0.0000754700000000 ] - [ -0.0001323000000000, -0.0000296800000000, 0.0000261900000000 ] - [ -0.0004030500000000, -0.0000925600000000, 0.0003364700000000 ] - [ 0.0002590900000000, -0.0002387000000000, 0.0000291300000000 ] - [ 0.0004367900000000, -0.0000084300000000, 0.0001510600000000 ] - [ 0.0003600600000000, 0.0000400300000000, 0.0001719200000000 ] - [ -0.0021046500000000, 0.0028428000000000, 0.0026088200000000 ] - [ 0.0000820500000000, 0.0002976300000000, 0.0004670100000000 ] - [ -0.0003314400000000, -0.0004576800000000, -0.0004678400000000 ] - [ -0.0000859800000000, -0.0001439700000000, -0.0001571800000000 ] - [ -0.0002475100000000, 0.0001220400000000, -0.0002662900000000 ] - [ -0.0001031100000000, 0.0002500000000000, -0.0001242600000000 ] - [ -0.0023717700000000, -0.0009492400000000, 0.0018699800000000 ] - [ 0.0000145400000000, 0.0002096000000000, 0.0001103000000000 ] - [ -0.0011388900000000, -0.0005466100000000, 0.0021732500000000 ] - [ 0.0003375900000000, 0.0002894100000000, 0.0002160600000000 ] - [ -0.0012625200000000, -0.0080261000000000, 0.0047575500000000 ] - [ 0.0001377800000000, 0.0004267500000000, 0.0005227300000000 ] - [ -0.0006033500000000, 0.0000095500000000, 0.0004055900000000 ] - [ -0.0000143400000000, 0.0002912100000000, 0.0001421200000000 ] - [ 0.0698495300000000, -0.0193223000000000, -0.0842768700000000 ] - [ 0.0002496800000000, 0.0002232200000000, -0.0001329900000000 ] - [ 0.0050148500000000, 0.0022793400000000, -0.0024444400000000 ] - [ 0.0028174300000000, -0.0025995800000000, -0.0006194600000000 ] - [ 0.0015112500000000, -0.0004081900000000, 0.0029625200000000 ] - [ 0.0000884300000000, -0.0000123200000000, 0.0000381900000000 ] - [ 0.0019044800000000, 0.0008397200000000, -0.0015766100000000 ] - [ 0.0002743800000000, -0.0000409000000000, -0.0004705200000000 ] - [ 0.0000777500000000, 0.0001830100000000, 0.0003566100000000 ] - [ -0.0000561400000000, 0.0000596900000000, 0.0002838100000000 ] - [ -0.0004342100000000, -0.0007059000000000, 0.0010506300000000 ] - [ -0.0004981100000000, 0.0005073000000000, 0.0004150800000000 ] - [ 0.0005135300000000, 0.0080793200000000, 0.0118219800000000 ] - [ 0.0000944800000000, -0.0000345500000000, 0.0006003200000000 ] - [ 0.0011353500000000, -0.0010377600000000, -0.0002013300000000 ] - [ -0.0002457000000000, 0.0018606300000000, -0.0010513100000000 ] - [ -0.0011067000000000, 0.0110745100000000, -0.0004378900000000 ] - [ 0.0003635500000000, -0.0002653800000000, -0.0004921400000000 ] - [ 0.0013152300000000, -0.0010217300000000, -0.0024555400000000 ] - [ 0.0001892200000000, 0.0003187500000000, -0.0003703400000000 ] - [ -0.0103623300000000, -0.0001047800000000, -0.0089069100000000 ] - [ 0.0000708400000000, 0.0002528700000000, -0.0000910900000000 ] - [ -0.0005233200000000, -0.0002822000000000, -0.0006702100000000 ] - [ -0.0000733000000000, -0.0001259300000000, -0.0001723500000000 ] - [ -0.0000376400000000, -0.0001700500000000, 0.0000070500000000 ] - [ -0.0000778700000000, 0.0000785200000000, 0.0000573800000000 ] - [ -0.0000958300000000, -0.0000445800000000, -0.0003861200000000 ] - [ -0.0002175900000000, 0.0005629900000000, -0.0000970600000000 ] - [ -0.0002707000000000, 0.0000096800000000, 0.0000434400000000 ] - [ -0.0002292100000000, 0.0001571600000000, 0.0000672400000000 ] - [ -0.0002413100000000, -0.0001240700000000, 0.0001748600000000 ] - [ -0.0002305900000000, -0.0000272600000000, 0.0000244400000000 ] - [ 0.0006177300000000, -0.0004876900000000, -0.0005968200000000 ] - [ 0.0005380100000000, 0.0005813800000000, -0.0000711500000000 ] - [ 0.0000985100000000, -0.0001689500000000, 0.0007089800000000 ] - [ -0.0003158200000000, 0.0001669500000000, -0.0000903600000000 ] - [ 0.0007757800000000, -0.0002060100000000, 0.0003639400000000 ] - [ 0.0001777300000000, 0.0004644100000000, -0.0001546800000000 ] - [ 0.0003154900000000, 0.0001559000000000, 0.0002294500000000 ] - [ -0.0000123000000000, 0.0003160000000000, -0.0000215800000000 ] - [ 0.0000543300000000, 0.0000517800000000, 0.0000392100000000 ] - [ 0.0000055000000000, 0.0000418600000000, 0.0000338600000000 ] - [ -0.0003879800000000, -0.0004235200000000, 0.0000550200000000 ] - [ -0.0004151100000000, 0.0001803000000000, -0.0001730500000000 ] - [ -0.0005599800000000, -0.0000754300000000, -0.0000957700000000 ] - [ -0.0001078200000000, 0.0000972200000000, -0.0000940700000000 ] - [ 0.0004166800000000, -0.0000678500000000, 0.0008184100000000 ] - [ -0.0000265600000000, 0.0001035400000000, -0.0000217100000000 ] - [ -0.0004172900000000, 0.0001771500000000, -0.0001012100000000 ] - [ -0.0003505500000000, 0.0000683500000000, -0.0000595600000000 ]- atom: 71 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ 0.0022117100000000, 0.0017344700000000, 0.0002356500000000 ] - [ 0.0014531300000000, -0.0007257700000000, -0.0004247100000000 ] - [ 0.0076062800000000, -0.0011278100000000, -0.0029628500000000 ] - [ 0.0003032000000000, 0.0002910300000000, -0.0000238900000000 ] - [ -0.0000051300000000, -0.0000326300000000, 0.0002689800000000 ] - [ -0.0001710500000000, 0.0002687800000000, -0.0000781600000000 ] - [ -0.0001749200000000, -0.0003166100000000, -0.0001974900000000 ] - [ 0.0000976400000000, 0.0001056400000000, 0.0000409200000000 ] - [ -0.0019124400000000, 0.0036504200000000, -0.0024062900000000 ] - [ 0.0001582000000000, -0.0001841200000000, -0.0000953900000000 ] - [ 0.0009283800000000, -0.0013053100000000, -0.0015410600000000 ] - [ 0.0012069400000000, 0.0031208900000000, 0.0000053700000000 ] - [ -0.0000343300000000, -0.0003799200000000, -0.0005195000000000 ] - [ -0.0000809700000000, -0.0000004200000000, -0.0001276700000000 ] - [ 0.0052777400000000, -0.0038311800000000, -0.0040830200000000 ] - [ 0.0001097300000000, 0.0013690900000000, -0.0000495500000000 ] - [ -0.0006320100000000, 0.0000130000000000, 0.0006674500000000 ] - [ 0.0002942400000000, 0.0000981800000000, 0.0001086300000000 ] - [ -0.0026276200000000, 0.0003357600000000, 0.0035746200000000 ] - [ 0.0008290100000000, 0.0004018700000000, 0.0005542400000000 ] - [ -0.0012399700000000, -0.0038072700000000, -0.0021061400000000 ] - [ -0.0004682900000000, 0.0007125800000000, -0.0004635000000000 ] - [ 0.0004894500000000, 0.0003358900000000, -0.0000465900000000 ] - [ 0.0002447300000000, 0.0000882100000000, -0.0001789300000000 ] - [ -0.0033066900000000, -0.0011092700000000, 0.0054743500000000 ] - [ -0.0002956600000000, 0.0002869700000000, 0.0002503800000000 ] - [ 0.0429303300000000, 0.0010672400000000, -0.0678728800000000 ] - [ -0.0000517900000000, 0.0000820800000000, -0.0000803900000000 ] - [ 0.0001022000000000, -0.0000311800000000, 0.0002319900000000 ] - [ 0.0000710500000000, 0.0000921300000000, 0.0002499600000000 ] - [ 0.0154561600000000, -0.0057759200000000, -0.0060839800000000 ] - [ -0.0000445800000000, -0.0001540900000000, 0.0002534800000000 ] - [ -0.0009558500000000, -0.0001884300000000, 0.0004139700000000 ] - [ 0.0001606600000000, 0.0001369700000000, 0.0000719600000000 ] - [ -0.0003870700000000, -0.0000532600000000, 0.0000311900000000 ] - [ -0.0003971300000000, 0.0000757000000000, -0.0000641900000000 ] - [ 0.0004215700000000, -0.0012472300000000, 0.0015033800000000 ] - [ -0.0000388800000000, 0.0003918300000000, 0.0000740300000000 ] - [ -0.0006598900000000, -0.0000659700000000, 0.0001798400000000 ] - [ -0.0004802200000000, 0.0000952100000000, 0.0000884400000000 ] - [ 0.0003265500000000, 0.0002932400000000, -0.0011281800000000 ] - [ 0.0002247400000000, -0.0000239800000000, -0.0006076900000000 ] - [ -0.0000986500000000, -0.0003690200000000, -0.0001660800000000 ] - [ -0.0000292100000000, 0.0000550600000000, -0.0000474300000000 ] - [ -0.0006886900000000, -0.0004638600000000, -0.0000497800000000 ] - [ -0.0007049200000000, 0.0005371100000000, -0.0003643300000000 ] - [ 0.0012703200000000, 0.0004540900000000, 0.0009403000000000 ] - [ -0.0000498000000000, 0.0004730100000000, 0.0001388300000000 ] - [ -0.0003330900000000, 0.0001495900000000, -0.0001222500000000 ] - [ -0.0004082400000000, 0.0001702700000000, -0.0001811200000000 ] - [ -0.0004620800000000, 0.0000085100000000, -0.0000785900000000 ] - [ -0.0003717500000000, -0.0000020400000000, -0.0000238800000000 ] - [ 0.0009107700000000, 0.0000586000000000, -0.0003495300000000 ] - [ 0.0002424000000000, 0.0002033000000000, -0.0000323500000000 ] - [ -0.0001414700000000, 0.0000107700000000, 0.0000989500000000 ] - [ -0.0000678300000000, -0.0000407800000000, 0.0000824200000000 ] - [ 0.0021254500000000, -0.0026006000000000, -0.0026291400000000 ] - [ -0.0000747200000000, -0.0000209600000000, -0.0004845900000000 ] - [ 0.0003325800000000, 0.0001851800000000, 0.0004700600000000 ] - [ 0.0000879500000000, -0.0001289700000000, 0.0001572400000000 ] - [ 0.0002504100000000, 0.0001506500000000, 0.0002680000000000 ] - [ 0.0001039400000000, 0.0000238000000000, 0.0001255800000000 ] - [ 0.0023309000000000, 0.0006793700000000, -0.0018569000000000 ] - [ -0.0000147000000000, -0.0004820100000000, -0.0001129500000000 ] - [ 0.0014087400000000, 0.0002438700000000, -0.0020446800000000 ] - [ -0.0000978800000000, -0.0005871200000000, -0.0000720800000000 ] - [ 0.0012666500000000, 0.0079834200000000, -0.0044666300000000 ] - [ -0.0001633800000000, -0.0004256000000000, -0.0001877100000000 ] - [ 0.0005973100000000, -0.0000104600000000, -0.0002338500000000 ] - [ -0.0000042700000000, -0.0002928000000000, 0.0000250800000000 ] - [ -0.0725690800000000, 0.0192743000000000, 0.0873596200000000 ] - [ -0.0004291800000000, -0.0000992600000000, 0.0001931600000000 ] - [ -0.0051860300000000, -0.0024102800000000, 0.0025157000000000 ] - [ -0.0030421800000000, 0.0025201200000000, 0.0006874600000000 ] - [ -0.0013476400000000, 0.0002884800000000, -0.0030342500000000 ] - [ 0.0000862700000000, -0.0001075700000000, -0.0000972800000000 ] - [ -0.0018933900000000, -0.0008394300000000, 0.0012408700000000 ] - [ -0.0002529700000000, 0.0000402900000000, 0.0001321600000000 ] - [ 0.0000994200000000, -0.0000614300000000, -0.0004162700000000 ] - [ 0.0002316900000000, 0.0000608600000000, -0.0003439000000000 ] - [ 0.0006806000000000, 0.0010266500000000, -0.0009089800000000 ] - [ 0.0007481100000000, -0.0002181900000000, -0.0002719500000000 ] - [ -0.0002454700000000, -0.0079880100000000, -0.0113821900000000 ] - [ 0.0001546200000000, 0.0000363600000000, -0.0001740100000000 ] - [ -0.0013832700000000, 0.0007432600000000, 0.0000614100000000 ] - [ -0.0000008400000000, -0.0021734300000000, 0.0009136900000000 ] - [ 0.0011338600000000, -0.0111660700000000, 0.0002891300000000 ] - [ -0.0003484900000000, 0.0002754500000000, 0.0003265900000000 ] - [ -0.0015774400000000, 0.0010186500000000, 0.0020307700000000 ] - [ -0.0004412100000000, -0.0003163900000000, -0.0000624200000000 ] - [ 0.0101523300000000, 0.0004088800000000, 0.0088533400000000 ] - [ -0.0003150800000000, 0.0000452200000000, -0.0000520000000000 ] - [ 0.0007638200000000, -0.0000144300000000, 0.0008121200000000 ] - [ 0.0003192100000000, -0.0001715500000000, 0.0003228900000000 ] - [ 0.0000144600000000, 0.0001695500000000, 0.0003350800000000 ] - [ 0.0000542300000000, -0.0000776800000000, 0.0002835600000000 ] - [ 0.0000771200000000, 0.0000452000000000, 0.0005607100000000 ] - [ 0.0002000200000000, -0.0005587100000000, 0.0002656200000000 ] - [ 0.0000982900000000, 0.0001115000000000, 0.0000131100000000 ] - [ 0.0000563200000000, -0.0000376500000000, -0.0000080800000000 ] - [ 0.0000678000000000, 0.0000037800000000, -0.0001157000000000 ] - [ 0.0000573100000000, -0.0000927800000000, 0.0000318400000000 ] - [ -0.0004484400000000, 0.0003751100000000, 0.0005404300000000 ] - [ -0.0003691000000000, -0.0007112700000000, 0.0000144700000000 ] - [ -0.0000774100000000, 0.0001665400000000, -0.0010586200000000 ] - [ 0.0003404200000000, -0.0001679300000000, -0.0002497500000000 ] - [ -0.0006147700000000, 0.0003263900000000, -0.0004191800000000 ] - [ -0.0000014800000000, -0.0003425500000000, 0.0000949300000000 ] - [ -0.0000651100000000, 0.0001412100000000, -0.0000756200000000 ] - [ 0.0002558900000000, -0.0000184600000000, 0.0001631000000000 ] - [ 0.0001968100000000, -0.0000518900000000, 0.0003966800000000 ] - [ 0.0002480000000000, -0.0000394400000000, 0.0004014800000000 ] - [ 0.0001477600000000, 0.0001232900000000, -0.0001967300000000 ] - [ 0.0001741100000000, -0.0004778600000000, 0.0000315000000000 ] - [ 0.0005799200000000, 0.0000750300000000, -0.0000727100000000 ] - [ 0.0001275000000000, -0.0000967000000000, -0.0000724800000000 ] - [ -0.0006766300000000, 0.0000677900000000, -0.0012615700000000 ] - [ -0.0002237200000000, -0.0001034600000000, -0.0004124500000000 ] - [ 0.0001783000000000, 0.0001217200000000, -0.0000429800000000 ] - [ 0.0001088400000000, 0.0002275900000000, -0.0000816800000000 ]- atom: 83 displacement: [ 0.0099999626173379, 0.0000000000000000, 0.0000273432230206 ] forces: - [ 0.0073578900000000, -0.0026784100000000, 0.0011194900000000 ] - [ 0.0007899200000000, 0.0010246600000000, 0.0001238500000000 ] - [ 0.0073578900000000, 0.0026784100000000, 0.0011194900000000 ] - [ 0.0007899200000000, -0.0010246600000000, 0.0001238500000000 ] - [ -0.0007585200000000, -0.0001950500000000, -0.0007279200000000 ] - [ -0.0004407700000000, 0.0002444800000000, -0.0002327500000000 ] - [ -0.0007585200000000, 0.0001950500000000, -0.0007279200000000 ] - [ -0.0004407700000000, -0.0002444800000000, -0.0002327500000000 ] - [ 0.0004234300000000, 0.0004842900000000, 0.0013081400000000 ] - [ 0.0004234300000000, -0.0004842900000000, 0.0013081400000000 ] - [ 0.0012271100000000, 0.0005996800000000, 0.0014807800000000 ] - [ 0.0000927100000000, -0.0000983800000000, 0.0002288900000000 ] - [ -0.0012517400000000, 0.0007724200000000, -0.0007830900000000 ] - [ -0.0012517400000000, -0.0007724200000000, -0.0007830900000000 ] - [ 0.0004330800000000, -0.0012290900000000, 0.0007734700000000 ] - [ 0.0004330800000000, 0.0012290900000000, 0.0007734700000000 ] - [ 0.0012694900000000, -0.0000343100000000, -0.0005420800000000 ] - [ 0.0003936700000000, -0.0001547600000000, 0.0000121400000000 ] - [ 0.0013822900000000, -0.0004873900000000, 0.0003394000000000 ] - [ 0.0013822900000000, 0.0004873900000000, 0.0003394000000000 ] - [ -0.0018512200000000, 0.0000000000000000, 0.0038848300000000 ] - [ -0.0002243400000000, 0.0000000000000000, -0.0000201700000000 ] - [ -0.0016766400000000, 0.0000000000000000, -0.0038520400000000 ] - [ 0.0001359000000000, 0.0000000000000000, -0.0002528200000000 ] - [ 0.0214173400000000, 0.0000000000000000, -0.0270176200000000 ] - [ -0.0000005000000000, 0.0000000000000000, 0.0000769900000000 ] - [ 0.0012271100000000, -0.0005996800000000, 0.0014807800000000 ] - [ 0.0000927100000000, 0.0000983800000000, 0.0002288900000000 ] - [ 0.0012694900000000, 0.0000343100000000, -0.0005420800000000 ] - [ 0.0003936700000000, 0.0001547600000000, 0.0000121400000000 ] - [ 0.0328229500000000, 0.0000000000000000, 0.0245887800000000 ] - [ 0.0005425900000000, 0.0000000000000000, 0.0003015000000000 ] - [ -0.0015477600000000, 0.0000000000000000, 0.0000988500000000 ] - [ 0.0001060600000000, 0.0000000000000000, -0.0000607100000000 ] - [ -0.0009356300000000, -0.0000301100000000, -0.0005786300000000 ] - [ -0.0005883300000000, 0.0000112800000000, -0.0002578500000000 ] - [ -0.0008937700000000, 0.0000000000000000, 0.0000974000000000 ] - [ 0.0000874700000000, 0.0000000000000000, -0.0001812700000000 ] - [ -0.0011060000000000, 0.0000000000000000, -0.0002241100000000 ] - [ -0.0006670400000000, 0.0000000000000000, 0.0000594300000000 ] - [ 0.0002041400000000, 0.0008673200000000, -0.0014910700000000 ] - [ 0.0002211600000000, -0.0003461100000000, 0.0001020700000000 ] - [ -0.0007865200000000, 0.0000000000000000, -0.0005826100000000 ] - [ -0.0002875000000000, 0.0000000000000000, -0.0001983300000000 ] - [ -0.0007867300000000, -0.0006784400000000, -0.0002620600000000 ] - [ -0.0007867300000000, 0.0006784400000000, -0.0002620600000000 ] - [ 0.0003655200000000, -0.0007726700000000, 0.0000380600000000 ] - [ 0.0003655200000000, 0.0007726700000000, 0.0000380600000000 ] - [ -0.0007211600000000, -0.0004375100000000, -0.0002967000000000 ] - [ -0.0007211600000000, 0.0004375100000000, -0.0002967000000000 ] - [ -0.0009356300000000, 0.0000301100000000, -0.0005786300000000 ] - [ -0.0005883300000000, -0.0000112800000000, -0.0002578500000000 ] - [ 0.0002041400000000, -0.0008673200000000, -0.0014910700000000 ] - [ 0.0002211600000000, 0.0003461100000000, 0.0001020700000000 ] - [ -0.0004385700000000, 0.0001124400000000, -0.0000657400000000 ] - [ -0.0004385700000000, -0.0001124400000000, -0.0000657400000000 ] - [ 0.0012059200000000, -0.0015458800000000, -0.0002902800000000 ] - [ -0.0003149400000000, 0.0002475100000000, -0.0001186200000000 ] - [ 0.0007134800000000, -0.0000745100000000, 0.0000890400000000 ] - [ 0.0003464300000000, -0.0003443500000000, 0.0000003900000000 ] - [ 0.0007134800000000, 0.0000745100000000, 0.0000890400000000 ] - [ 0.0003464300000000, 0.0003443500000000, 0.0000003900000000 ] - [ 0.0012059200000000, 0.0015458800000000, -0.0002902800000000 ] - [ -0.0003149400000000, -0.0002475100000000, -0.0001186200000000 ] - [ -0.0036767600000000, -0.0003719500000000, 0.0029242800000000 ] - [ -0.0002616000000000, -0.0003472500000000, 0.0000745700000000 ] - [ -0.0026532100000000, -0.0018387500000000, -0.0003844200000000 ] - [ -0.0026532100000000, 0.0018387500000000, -0.0003844200000000 ] - [ -0.0042268000000000, 0.0000000000000000, 0.0044021000000000 ] - [ -0.0001860700000000, 0.0000000000000000, -0.0000006600000000 ] - [ -0.0064265900000000, 0.0027848900000000, -0.0029158300000000 ] - [ -0.0004540900000000, -0.0000127400000000, -0.0001981500000000 ] - [ -0.0064265900000000, -0.0027848900000000, -0.0029158300000000 ] - [ -0.0004540900000000, 0.0000127400000000, -0.0001981500000000 ] - [ 0.0011882000000000, -0.0008438200000000, 0.0022060000000000 ] - [ -0.0000476200000000, 0.0003369000000000, 0.0002510500000000 ] - [ 0.0161230400000000, 0.0000000000000000, -0.0016231200000000 ] - [ 0.0001237900000000, 0.0000000000000000, -0.0001481100000000 ] - [ 0.0011882000000000, 0.0008438200000000, 0.0022060000000000 ] - [ -0.0000476200000000, -0.0003369000000000, 0.0002510500000000 ] - [ -0.0036767600000000, 0.0003719500000000, 0.0029242800000000 ] - [ -0.0002616000000000, 0.0003472500000000, 0.0000745700000000 ] - [ -0.0683828100000000, 0.0000000000000000, -0.0011403200000000 ] - [ -0.0002910000000000, 0.0000000000000000, 0.0000424700000000 ] - [ -0.0001820300000000, 0.0001919400000000, -0.0035982500000000 ] - [ -0.0005991100000000, -0.0005042600000000, -0.0005547700000000 ] - [ -0.0009316300000000, 0.0007127700000000, -0.0004177400000000 ] - [ -0.0009316300000000, -0.0007127700000000, -0.0004177400000000 ] - [ 0.0034443400000000, -0.0044706000000000, -0.0009694700000000 ] - [ 0.0034443400000000, 0.0044706000000000, -0.0009694700000000 ] - [ -0.0001820300000000, -0.0001919400000000, -0.0035982500000000 ] - [ -0.0005991100000000, 0.0005042600000000, -0.0005547700000000 ] - [ 0.0012623300000000, -0.0001383300000000, 0.0013337600000000 ] - [ 0.0003861400000000, 0.0001228600000000, 0.0001986100000000 ] - [ 0.0005802600000000, 0.0000000000000000, 0.0008294100000000 ] - [ 0.0002834300000000, 0.0000000000000000, 0.0003859900000000 ] - [ 0.0002743200000000, 0.0012782800000000, 0.0004052600000000 ] - [ 0.0002743200000000, -0.0012782800000000, 0.0004052600000000 ] - [ 0.0003476400000000, 0.0000807300000000, 0.0001893800000000 ] - [ 0.0002475700000000, -0.0000161100000000, 0.0000758800000000 ] - [ 0.0003476400000000, -0.0000807300000000, 0.0001893800000000 ] - [ 0.0002475700000000, 0.0000161100000000, 0.0000758800000000 ] - [ -0.0000659300000000, -0.0005064100000000, 0.0005070300000000 ] - [ 0.0000665700000000, 0.0002850200000000, 0.0000658600000000 ] - [ 0.0002731300000000, 0.0002816500000000, -0.0001695100000000 ] - [ 0.0002731300000000, -0.0002816500000000, -0.0001695100000000 ] - [ -0.0000659300000000, 0.0005064100000000, 0.0005070300000000 ] - [ 0.0000665700000000, -0.0002850200000000, 0.0000658600000000 ] - [ 0.0012623300000000, 0.0001383300000000, 0.0013337600000000 ] - [ 0.0003861400000000, -0.0001228600000000, 0.0001986100000000 ] - [ 0.0005037100000000, 0.0001609400000000, 0.0006383800000000 ] - [ 0.0005037100000000, -0.0001609400000000, 0.0006383800000000 ] - [ 0.0006558400000000, 0.0001675400000000, 0.0003882700000000 ] - [ 0.0004946000000000, -0.0006036400000000, 0.0002345300000000 ] - [ 0.0013140600000000, 0.0000000000000000, 0.0003341700000000 ] - [ 0.0002938500000000, 0.0000000000000000, 0.0000287500000000 ] - [ 0.0003563000000000, 0.0000000000000000, -0.0001407100000000 ] - [ -0.0001303500000000, 0.0000000000000000, -0.0001953400000000 ] - [ 0.0006558400000000, -0.0001675400000000, 0.0003882700000000 ] - [ 0.0004946000000000, 0.0006036400000000, 0.0002345300000000 ]- atom: 83 displacement: [ -0.0099999626173379, 0.0000000000000000, -0.0000273432230206 ] forces: - [ -0.0071346600000000, 0.0030223100000000, -0.0011777700000000 ] - [ -0.0007892300000000, -0.0010172500000000, -0.0001249600000000 ] - [ -0.0071346600000000, -0.0030223100000000, -0.0011777700000000 ] - [ -0.0007892300000000, 0.0010172500000000, -0.0001249600000000 ] - [ 0.0007562700000000, 0.0001955800000000, 0.0007295100000000 ] - [ 0.0004295900000000, -0.0002406100000000, 0.0002353900000000 ] - [ 0.0007562700000000, -0.0001955800000000, 0.0007295100000000 ] - [ 0.0004295900000000, 0.0002406100000000, 0.0002353900000000 ] - [ -0.0000137000000000, -0.0004858000000000, -0.0012824700000000 ] - [ -0.0000137000000000, 0.0004858000000000, -0.0012824700000000 ] - [ -0.0017193200000000, -0.0005604900000000, -0.0014683300000000 ] - [ -0.0005942800000000, 0.0001277800000000, -0.0002272100000000 ] - [ 0.0009572700000000, -0.0007714800000000, 0.0005298500000000 ] - [ 0.0009572700000000, 0.0007714800000000, 0.0005298500000000 ] - [ -0.0011110800000000, 0.0012194500000000, -0.0004903300000000 ] - [ -0.0011110800000000, -0.0012194500000000, -0.0004903300000000 ] - [ -0.0007479200000000, 0.0000691700000000, 0.0005509400000000 ] - [ 0.0001133200000000, 0.0001853000000000, -0.0000110600000000 ] - [ -0.0011210900000000, 0.0004749200000000, -0.0002315600000000 ] - [ -0.0011210900000000, -0.0004749200000000, -0.0002315600000000 ] - [ 0.0015794100000000, 0.0000000000000000, -0.0039752300000000 ] - [ -0.0000508100000000, 0.0000000000000000, -0.0000987100000000 ] - [ 0.0023505600000000, 0.0000000000000000, 0.0035522900000000 ] - [ 0.0005397600000000, 0.0000000000000000, -0.0000257900000000 ] - [ -0.0217244500000000, 0.0000000000000000, 0.0272708800000000 ] - [ -0.0004132700000000, 0.0000000000000000, -0.0000961100000000 ] - [ -0.0017193200000000, 0.0005604900000000, -0.0014683300000000 ] - [ -0.0005942800000000, -0.0001277800000000, -0.0002272100000000 ] - [ -0.0007479200000000, -0.0000691700000000, 0.0005509400000000 ] - [ 0.0001133200000000, -0.0001853000000000, -0.0000110600000000 ] - [ -0.0332420100000000, 0.0000000000000000, -0.0254490300000000 ] - [ -0.0002506900000000, 0.0000000000000000, -0.0000501900000000 ] - [ 0.0019602000000000, 0.0000000000000000, -0.0000823600000000 ] - [ 0.0003020400000000, 0.0000000000000000, 0.0000789300000000 ] - [ 0.0004325100000000, 0.0000663600000000, 0.0005799200000000 ] - [ 0.0000876200000000, 0.0000167700000000, 0.0002597300000000 ] - [ 0.0005978100000000, 0.0000000000000000, -0.0003548900000000 ] - [ -0.0003853400000000, 0.0000000000000000, -0.0000679600000000 ] - [ 0.0004351600000000, 0.0000000000000000, 0.0005032300000000 ] - [ -0.0000042500000000, 0.0000000000000000, 0.0002265800000000 ] - [ 0.0002977200000000, -0.0008392700000000, 0.0015020000000000 ] - [ 0.0002800700000000, 0.0003789300000000, -0.0001090500000000 ] - [ 0.0010549000000000, 0.0000000000000000, 0.0007007100000000 ] - [ 0.0005669400000000, 0.0000000000000000, 0.0003132600000000 ] - [ 0.0005140900000000, 0.0006797200000000, 0.0001419000000000 ] - [ 0.0005140900000000, -0.0006797200000000, 0.0001419000000000 ] - [ 0.0003060000000000, 0.0007691500000000, -0.0003180200000000 ] - [ 0.0003060000000000, -0.0007691500000000, -0.0003180200000000 ] - [ 0.0003119900000000, 0.0004345500000000, 0.0002754300000000 ] - [ 0.0003119900000000, -0.0004345500000000, 0.0002754300000000 ] - [ 0.0004325100000000, -0.0000663600000000, 0.0005799200000000 ] - [ 0.0000876200000000, -0.0000167700000000, 0.0002597300000000 ] - [ 0.0002977200000000, 0.0008392700000000, 0.0015020000000000 ] - [ 0.0002800700000000, -0.0003789300000000, -0.0001090500000000 ] - [ 0.0007352800000000, -0.0001097400000000, 0.0003200600000000 ] - [ 0.0007352800000000, 0.0001097400000000, 0.0003200600000000 ] - [ -0.0012218000000000, 0.0018342000000000, 0.0002839900000000 ] - [ 0.0003160000000000, 0.0000258300000000, 0.0001203600000000 ] - [ -0.0007097200000000, -0.0001964300000000, -0.0000899400000000 ] - [ -0.0003464600000000, 0.0000708200000000, 0.0000000500000000 ] - [ -0.0007097200000000, 0.0001964300000000, -0.0000899400000000 ] - [ -0.0003464600000000, -0.0000708200000000, 0.0000000500000000 ] - [ -0.0012218000000000, -0.0018342000000000, 0.0002839900000000 ] - [ 0.0003160000000000, -0.0000258300000000, 0.0001203600000000 ] - [ 0.0038873100000000, 0.0001285300000000, -0.0028180400000000 ] - [ 0.0005022900000000, 0.0000452800000000, 0.0000663800000000 ] - [ 0.0026150800000000, 0.0018326700000000, 0.0007282300000000 ] - [ 0.0026150800000000, -0.0018326700000000, 0.0007282300000000 ] - [ 0.0042214400000000, 0.0000000000000000, -0.0042201700000000 ] - [ 0.0001672600000000, 0.0000000000000000, 0.0001631800000000 ] - [ 0.0062566900000000, -0.0026479000000000, 0.0030162700000000 ] - [ 0.0002808700000000, 0.0001308900000000, 0.0002588600000000 ] - [ 0.0062566900000000, 0.0026479000000000, 0.0030162700000000 ] - [ 0.0002808700000000, -0.0001308900000000, 0.0002588600000000 ] - [ -0.0010155000000000, 0.0007169700000000, -0.0022564800000000 ] - [ 0.0002184400000000, -0.0004562500000000, -0.0003126600000000 ] - [ -0.0158501300000000, 0.0000000000000000, 0.0012488200000000 ] - [ -0.0001009600000000, 0.0000000000000000, -0.0001935200000000 ] - [ -0.0010155000000000, -0.0007169700000000, -0.0022564800000000 ] - [ 0.0002184400000000, 0.0004562500000000, -0.0003126600000000 ] - [ 0.0038873100000000, -0.0001285300000000, -0.0028180400000000 ] - [ 0.0005022900000000, -0.0000452800000000, 0.0000663800000000 ] - [ 0.0686433500000000, 0.0000000000000000, 0.0024975800000000 ] - [ 0.0005411000000000, 0.0000000000000000, 0.0003903500000000 ] - [ -0.0000633200000000, -0.0004857200000000, 0.0034418300000000 ] - [ 0.0003518700000000, 0.0002073100000000, 0.0004145300000000 ] - [ 0.0009457900000000, -0.0007046000000000, 0.0002507700000000 ] - [ 0.0009457900000000, 0.0007046000000000, 0.0002507700000000 ] - [ -0.0036812800000000, 0.0044627800000000, 0.0005332300000000 ] - [ -0.0036812800000000, -0.0044627800000000, 0.0005332300000000 ] - [ -0.0000633200000000, 0.0004857200000000, 0.0034418300000000 ] - [ 0.0003518700000000, -0.0002073100000000, 0.0004145300000000 ] - [ -0.0010203900000000, -0.0001594900000000, -0.0011954400000000 ] - [ -0.0001416900000000, -0.0004222600000000, -0.0000581400000000 ] - [ -0.0006038400000000, 0.0000000000000000, -0.0004902900000000 ] - [ -0.0003066100000000, 0.0000000000000000, -0.0000456700000000 ] - [ -0.0002910300000000, -0.0012843600000000, -0.0002429500000000 ] - [ -0.0002910300000000, 0.0012843600000000, -0.0002429500000000 ] - [ -0.0005224100000000, 0.0000404200000000, -0.0001265500000000 ] - [ -0.0004202500000000, 0.0001353900000000, -0.0000147000000000 ] - [ -0.0005224100000000, -0.0000404200000000, -0.0001265500000000 ] - [ -0.0004202500000000, -0.0001353900000000, -0.0000147000000000 ] - [ 0.0002414200000000, 0.0003857600000000, -0.0005690800000000 ] - [ 0.0001067100000000, -0.0004059100000000, -0.0001303700000000 ] - [ -0.0002504000000000, -0.0002830200000000, -0.0001690800000000 ] - [ -0.0002504000000000, 0.0002830200000000, -0.0001690800000000 ] - [ 0.0002414200000000, -0.0003857600000000, -0.0005690800000000 ] - [ 0.0001067100000000, 0.0004059100000000, -0.0001303700000000 ] - [ -0.0010203900000000, 0.0001594900000000, -0.0011954400000000 ] - [ -0.0001416900000000, 0.0004222600000000, -0.0000581400000000 ] - [ -0.0002531700000000, -0.0001616700000000, -0.0002062000000000 ] - [ -0.0002531700000000, 0.0001616700000000, -0.0002062000000000 ] - [ -0.0008991500000000, -0.0004679700000000, -0.0005270600000000 ] - [ -0.0007408200000000, 0.0003082700000000, -0.0003748200000000 ] - [ -0.0012962500000000, 0.0000000000000000, -0.0004944500000000 ] - [ -0.0002759900000000, 0.0000000000000000, -0.0001916000000000 ] - [ -0.0006074800000000, 0.0000000000000000, -0.0002869000000000 ] - [ -0.0001189600000000, 0.0000000000000000, -0.0002368200000000 ] - [ -0.0008991500000000, 0.0004679700000000, -0.0005270600000000 ] - [ -0.0007408200000000, -0.0003082700000000, -0.0003748200000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012799900000000, 0.0102754400000000, -0.0003330800000000 ] - [ 0.0000115400000000, -0.0027693500000000, 0.0001781500000000 ] - [ -0.0006773100000000, 0.0096607800000000, 0.0002367700000000 ] - [ -0.0000110300000000, -0.0027839300000000, -0.0001799500000000 ] - [ -0.0001541300000000, 0.0004455300000000, 0.0000298700000000 ] - [ 0.0001142700000000, -0.0004401600000000, 0.0000006500000000 ] - [ 0.0001545600000000, 0.0004443700000000, -0.0000367200000000 ] - [ -0.0001183400000000, -0.0004455000000000, 0.0000034600000000 ] - [ 0.0005059700000000, -0.0007071300000000, -0.0011160000000000 ] - [ -0.0000982500000000, -0.0007076600000000, 0.0011483100000000 ] - [ -0.0013004100000000, 0.0004056100000000, 0.0015733000000000 ] - [ -0.0003501600000000, -0.0006716300000000, -0.0001978000000000 ] - [ 0.0011933400000000, -0.0006028600000000, 0.0009535500000000 ] - [ -0.0015023900000000, -0.0006084500000000, -0.0012166200000000 ] - [ -0.0012023400000000, -0.0019719700000000, -0.0010312400000000 ] - [ 0.0005371100000000, -0.0019620900000000, 0.0013269300000000 ] - [ 0.0017016000000000, 0.0016574900000000, 0.0014451900000000 ] - [ 0.0000035500000000, -0.0006770000000000, -0.0002297900000000 ] - [ -0.0012479800000000, -0.0025251500000000, 0.0003980800000000 ] - [ 0.0015320300000000, -0.0025287200000000, -0.0002898300000000 ] - [ -0.0001410000000000, 0.0025944300000000, -0.0000507200000000 ] - [ -0.0001376600000000, -0.0012485700000000, -0.0000598300000000 ] - [ 0.0003353100000000, 0.0025925300000000, -0.0001480500000000 ] - [ 0.0003358500000000, -0.0010795000000000, -0.0001397300000000 ] - [ -0.0001323300000000, 0.0108287700000000, -0.0001115800000000 ] - [ -0.0002052100000000, -0.0015033000000000, -0.0000089500000000 ] - [ 0.0008066500000000, 0.0003578200000000, -0.0015620500000000 ] - [ -0.0001497000000000, -0.0007061500000000, 0.0002012600000000 ] - [ -0.0011904400000000, 0.0016435900000000, -0.0014455000000000 ] - [ 0.0004994800000000, -0.0007076500000000, 0.0002278800000000 ] - [ 0.0002062900000000, 0.0110786600000000, 0.0001696800000000 ] - [ 0.0001489400000000, -0.0014585600000000, 0.0001276000000000 ] - [ 0.0001965800000000, 0.0006047200000000, 0.0000094900000000 ] - [ 0.0002010500000000, -0.0005435100000000, 0.0000114500000000 ] - [ -0.0001232100000000, 0.0002799200000000, 0.0001403100000000 ] - [ -0.0002414300000000, -0.0002063100000000, -0.0000559100000000 ] - [ -0.0001495200000000, 0.0013690000000000, -0.0001273800000000 ] - [ -0.0001494700000000, -0.0008363300000000, -0.0001276800000000 ] - [ -0.0003364200000000, 0.0007041400000000, 0.0001388200000000 ] - [ -0.0003352300000000, -0.0004886400000000, 0.0001419700000000 ] - [ 0.0006155700000000, 0.0002052200000000, 0.0002045100000000 ] - [ 0.0000874900000000, -0.0001661500000000, -0.0001976200000000 ] - [ 0.0001349300000000, 0.0004269400000000, 0.0000565400000000 ] - [ 0.0001370300000000, -0.0004862900000000, 0.0000567000000000 ] - [ -0.0007544500000000, -0.0002660600000000, -0.0003415100000000 ] - [ 0.0004759800000000, -0.0002601700000000, 0.0002233100000000 ] - [ -0.0002381400000000, -0.0001849300000000, -0.0001901600000000 ] - [ 0.0009086200000000, -0.0001770300000000, -0.0000900200000000 ] - [ -0.0001622800000000, 0.0000158500000000, -0.0000212000000000 ] - [ -0.0002467400000000, 0.0000210000000000, -0.0000018400000000 ] - [ -0.0003833200000000, 0.0002426000000000, -0.0001395800000000 ] - [ -0.0002621200000000, -0.0002405100000000, 0.0000598000000000 ] - [ -0.0001133300000000, 0.0001602900000000, -0.0002191100000000 ] - [ 0.0004145300000000, -0.0001995700000000, 0.0001943300000000 ] - [ 0.0005015600000000, -0.0000939200000000, 0.0002427000000000 ] - [ -0.0002065700000000, -0.0000939200000000, 0.0000117100000000 ] - [ -0.0015693900000000, 0.0001232100000000, -0.0006158600000000 ] - [ 0.0004552300000000, 0.0008173800000000, 0.0002182800000000 ] - [ 0.0000636500000000, -0.0005963600000000, -0.0000646000000000 ] - [ -0.0001968600000000, 0.0003451900000000, 0.0000568800000000 ] - [ -0.0000585400000000, -0.0003215700000000, 0.0000653600000000 ] - [ 0.0002008600000000, 0.0006202600000000, -0.0000570600000000 ] - [ 0.0015628200000000, -0.0001431800000000, 0.0006114200000000 ] - [ -0.0004602500000000, 0.0005437700000000, -0.0002195000000000 ] - [ 0.0006543500000000, 0.0041430900000000, -0.0100138100000000 ] - [ 0.0005460000000000, 0.0013176700000000, 0.0006102700000000 ] - [ 0.0018365200000000, 0.0034206500000000, 0.0005629300000000 ] - [ -0.0018906000000000, 0.0034542500000000, -0.0002290600000000 ] - [ -0.0000370000000000, -0.0028460000000000, 0.0000838300000000 ] - [ -0.0000091200000000, 0.0012005200000000, 0.0000853300000000 ] - [ 0.0019942100000000, 0.0021671400000000, 0.0102536500000000 ] - [ -0.0002246200000000, 0.0012757300000000, -0.0000871900000000 ] - [ -0.0022009900000000, 0.0020240600000000, -0.0102940800000000 ] - [ 0.0000455000000000, 0.0011574700000000, 0.0001395800000000 ] - [ -0.0021399300000000, -0.0008126000000000, -0.0023817800000000 ] - [ 0.0002243700000000, 0.0007684900000000, 0.0004078600000000 ] - [ 0.0000166000000000, -0.0074792200000000, -0.0001656400000000 ] - [ 0.0000151300000000, 0.0010842000000000, -0.0001693600000000 ] - [ 0.0023237200000000, -0.0006930200000000, 0.0023574600000000 ] - [ -0.0000487300000000, 0.0008857100000000, -0.0004618100000000 ] - [ -0.0004252500000000, 0.0044643300000000, 0.0102688500000000 ] - [ -0.0003076100000000, 0.0016141200000000, -0.0004623500000000 ] - [ -0.0005565400000000, -0.0582410700000000, 0.0003560600000000 ] - [ 0.0001221300000000, 0.0011252400000000, 0.0002162800000000 ] - [ 0.0018801300000000, -0.0015949500000000, -0.0024100900000000 ] - [ -0.0002972700000000, 0.0010173800000000, 0.0001339800000000 ] - [ -0.0000108500000000, 0.0007534500000000, 0.0003117300000000 ] - [ 0.0000216700000000, 0.0007434200000000, -0.0004859900000000 ] - [ -0.0045755300000000, 0.0059868300000000, 0.0003611400000000 ] - [ 0.0043617800000000, 0.0060449400000000, -0.0008032100000000 ] - [ -0.0021155300000000, -0.0012896200000000, 0.0022206000000000 ] - [ 0.0000523900000000, 0.0013162500000000, -0.0002829500000000 ] - [ -0.0000495900000000, -0.0003741700000000, -0.0000031200000000 ] - [ 0.0003294200000000, 0.0000793100000000, 0.0002089800000000 ] - [ -0.0000131500000000, -0.0002563500000000, 0.0001710900000000 ] - [ -0.0000141800000000, 0.0002811800000000, 0.0001698100000000 ] - [ 0.0002031800000000, -0.0000776600000000, 0.0001247200000000 ] - [ -0.0002203300000000, -0.0000885900000000, 0.0000482000000000 ] - [ 0.0000376000000000, -0.0002917100000000, 0.0001542900000000 ] - [ -0.0001340800000000, 0.0003623900000000, 0.0000497500000000 ] - [ -0.0002082200000000, -0.0004094400000000, -0.0000959000000000 ] - [ -0.0000388000000000, 0.0002433800000000, 0.0000079900000000 ] - [ 0.0000701200000000, -0.0005371400000000, -0.0001109500000000 ] - [ 0.0000617200000000, 0.0003879900000000, 0.0000755000000000 ] - [ 0.0003666800000000, 0.0000826400000000, -0.0000308700000000 ] - [ -0.0003388100000000, 0.0000813300000000, -0.0003068000000000 ] - [ 0.0001018400000000, -0.0004152400000000, 0.0000603100000000 ] - [ 0.0001131100000000, 0.0005045400000000, -0.0001323500000000 ] - [ 0.0002985700000000, -0.0000768000000000, 0.0001591200000000 ] - [ -0.0000875100000000, 0.0003731600000000, -0.0000623000000000 ] - [ -0.0000353500000000, -0.0000111900000000, 0.0001003100000000 ] - [ 0.0002872600000000, -0.0000125000000000, 0.0003384900000000 ] - [ -0.0000723700000000, -0.0005558800000000, -0.0000735500000000 ] - [ -0.0003016700000000, 0.0003498400000000, -0.0001005500000000 ] - [ 0.0000130800000000, -0.0005215800000000, -0.0000837800000000 ] - [ 0.0000096700000000, 0.0005021500000000, -0.0000836100000000 ] - [ -0.0001239500000000, -0.0003691900000000, -0.0002171600000000 ] - [ -0.0001237700000000, 0.0003012000000000, -0.0002172500000000 ] - [ -0.0001648100000000, -0.0002630500000000, -0.0000699800000000 ] - [ 0.0000630300000000, 0.0006481400000000, -0.0000404300000000 ]- atom: 83 displacement: [ -0.0047648475692096, 0.0000000000000000, 0.0087918273209952 ] forces: - [ -0.0022428500000000, 0.0021190300000000, 0.0063243700000000 ] - [ -0.0000705500000000, -0.0004431400000000, 0.0004870400000000 ] - [ -0.0022428500000000, -0.0021190300000000, 0.0063243700000000 ] - [ -0.0000705500000000, 0.0004431400000000, 0.0004870400000000 ] - [ -0.0001213700000000, 0.0000552000000000, -0.0002571200000000 ] - [ -0.0000875400000000, -0.0000112400000000, -0.0001564200000000 ] - [ -0.0001213700000000, -0.0000552000000000, -0.0002571200000000 ] - [ -0.0000875400000000, 0.0000112400000000, -0.0001564200000000 ] - [ 0.0005774600000000, 0.0001139900000000, -0.0007528400000000 ] - [ 0.0005774600000000, -0.0001139900000000, -0.0007528400000000 ] - [ 0.0028888200000000, -0.0010526700000000, -0.0049496800000000 ] - [ -0.0000771200000000, 0.0000922600000000, -0.0001818300000000 ] - [ 0.0000459800000000, 0.0002600300000000, 0.0005304700000000 ] - [ 0.0000459800000000, -0.0002600300000000, 0.0005304700000000 ] - [ -0.0002613100000000, -0.0022420200000000, 0.0007750700000000 ] - [ -0.0002613100000000, 0.0022420200000000, 0.0007750700000000 ] - [ -0.0027619700000000, 0.0022148400000000, -0.0009764400000000 ] - [ 0.0000802200000000, -0.0002723600000000, 0.0000352200000000 ] - [ 0.0014553000000000, 0.0025263300000000, 0.0017806500000000 ] - [ 0.0014553000000000, -0.0025263300000000, 0.0017806500000000 ] - [ 0.0018804300000000, 0.0000000000000000, -0.0038713800000000 ] - [ 0.0000398200000000, 0.0000000000000000, -0.0000752000000000 ] - [ -0.0011585300000000, 0.0000000000000000, 0.0029796400000000 ] - [ 0.0002672500000000, 0.0000000000000000, -0.0000186600000000 ] - [ -0.0333100200000000, 0.0000000000000000, 0.0745779500000000 ] - [ -0.0000725200000000, 0.0000000000000000, 0.0001333400000000 ] - [ 0.0028888200000000, 0.0010526700000000, -0.0049496800000000 ] - [ -0.0000771200000000, -0.0000922600000000, -0.0001818300000000 ] - [ -0.0027619700000000, -0.0022148400000000, -0.0009764400000000 ] - [ 0.0000802200000000, 0.0002723600000000, 0.0000352200000000 ] - [ 0.0042116000000000, 0.0000000000000000, 0.0151793200000000 ] - [ -0.0000442900000000, 0.0000000000000000, 0.0003333900000000 ] - [ -0.0006762900000000, 0.0000000000000000, 0.0004473600000000 ] - [ 0.0001574300000000, 0.0000000000000000, 0.0000348500000000 ] - [ -0.0005532300000000, -0.0000749300000000, 0.0000704600000000 ] - [ -0.0003416500000000, 0.0000144900000000, 0.0000448800000000 ] - [ 0.0008366200000000, 0.0000000000000000, 0.0002177500000000 ] - [ -0.0001227100000000, 0.0000000000000000, -0.0002080600000000 ] - [ -0.0010687100000000, 0.0000000000000000, -0.0002714800000000 ] - [ -0.0004134200000000, 0.0000000000000000, 0.0000649700000000 ] - [ 0.0002096400000000, 0.0003964800000000, -0.0011107700000000 ] - [ 0.0001814000000000, -0.0001215800000000, -0.0001344800000000 ] - [ -0.0000949100000000, 0.0000000000000000, -0.0002868100000000 ] - [ 0.0000499100000000, 0.0000000000000000, -0.0000311300000000 ] - [ -0.0001337700000000, -0.0000065400000000, 0.0000220200000000 ] - [ -0.0001337700000000, 0.0000065400000000, 0.0000220200000000 ] - [ 0.0005264700000000, 0.0000034300000000, -0.0002056400000000 ] - [ 0.0005264700000000, -0.0000034300000000, -0.0002056400000000 ] - [ -0.0003698400000000, -0.0001307700000000, -0.0001733600000000 ] - [ -0.0003698400000000, 0.0001307700000000, -0.0001733600000000 ] - [ -0.0005532300000000, 0.0000749300000000, 0.0000704600000000 ] - [ -0.0003416500000000, -0.0000144900000000, 0.0000448800000000 ] - [ 0.0002096400000000, -0.0003964800000000, -0.0011107700000000 ] - [ 0.0001814000000000, 0.0001215800000000, -0.0001344800000000 ] - [ -0.0001118500000000, 0.0002064300000000, -0.0001286700000000 ] - [ -0.0001118500000000, -0.0002064300000000, -0.0001286700000000 ] - [ -0.0005379300000000, -0.0000201700000000, -0.0012793700000000 ] - [ -0.0000725800000000, 0.0000092200000000, -0.0004650100000000 ] - [ 0.0000523400000000, -0.0000012300000000, 0.0002067000000000 ] - [ -0.0000516100000000, -0.0002017000000000, 0.0000257100000000 ] - [ 0.0000523400000000, 0.0000012300000000, 0.0002067000000000 ] - [ -0.0000516100000000, 0.0002017000000000, 0.0000257100000000 ] - [ -0.0005379300000000, 0.0000201700000000, -0.0012793700000000 ] - [ -0.0000725800000000, -0.0000092200000000, -0.0004650100000000 ] - [ 0.0029752200000000, -0.0086835100000000, 0.0004443400000000 ] - [ 0.0003002300000000, 0.0003071600000000, -0.0000910900000000 ] - [ 0.0011549600000000, 0.0010988100000000, -0.0011640300000000 ] - [ 0.0011549600000000, -0.0010988100000000, -0.0011640300000000 ] - [ 0.0085303100000000, 0.0000000000000000, 0.0015630200000000 ] - [ -0.0000130800000000, 0.0000000000000000, -0.0000646000000000 ] - [ 0.0000823500000000, 0.0081152700000000, 0.0115322700000000 ] - [ -0.0005782800000000, -0.0004818700000000, 0.0001698900000000 ] - [ 0.0000823500000000, -0.0081152700000000, 0.0115322700000000 ] - [ -0.0005782800000000, 0.0004818700000000, 0.0001698900000000 ] - [ 0.0004891500000000, -0.0003944700000000, -0.0028469000000000 ] - [ 0.0001895100000000, -0.0000690700000000, -0.0003017400000000 ] - [ -0.0096316100000000, 0.0000000000000000, -0.0019305600000000 ] - [ -0.0001216700000000, 0.0000000000000000, -0.0002422300000000 ] - [ 0.0004891500000000, 0.0003944700000000, -0.0028469000000000 ] - [ 0.0001895100000000, 0.0000690700000000, -0.0003017400000000 ] - [ 0.0029752200000000, 0.0086835100000000, 0.0004443400000000 ] - [ 0.0003002300000000, -0.0003071600000000, -0.0000910900000000 ] - [ 0.0321944700000000, 0.0000000000000000, -0.1132617800000000 ] - [ 0.0001768000000000, 0.0000000000000000, -0.0001070600000000 ] - [ -0.0018658600000000, 0.0000751400000000, 0.0019314000000000 ] - [ -0.0002547300000000, -0.0001072500000000, 0.0000222900000000 ] - [ -0.0004112100000000, -0.0002831200000000, 0.0005654000000000 ] - [ -0.0004112100000000, 0.0002831200000000, 0.0005654000000000 ] - [ -0.0025009300000000, 0.0026541700000000, 0.0005779600000000 ] - [ -0.0025009300000000, -0.0026541700000000, 0.0005779600000000 ] - [ -0.0018658600000000, -0.0000751400000000, 0.0019314000000000 ] - [ -0.0002547300000000, 0.0001072500000000, 0.0000222900000000 ] - [ 0.0005832100000000, -0.0001298000000000, 0.0007558700000000 ] - [ 0.0002474200000000, -0.0000836200000000, 0.0002240300000000 ] - [ 0.0002310500000000, 0.0000000000000000, 0.0008108600000000 ] - [ 0.0000342600000000, 0.0000000000000000, 0.0002970000000000 ] - [ 0.0000518400000000, 0.0004849800000000, 0.0003489700000000 ] - [ 0.0000518400000000, -0.0004849800000000, 0.0003489700000000 ] - [ 0.0003089900000000, 0.0002197000000000, 0.0001051100000000 ] - [ 0.0000722600000000, -0.0000341400000000, -0.0000014900000000 ] - [ 0.0003089900000000, -0.0002197000000000, 0.0001051100000000 ] - [ 0.0000722600000000, 0.0000341400000000, -0.0000014900000000 ] - [ -0.0004793300000000, 0.0001937800000000, 0.0004095700000000 ] - [ 0.0000029100000000, -0.0000874000000000, 0.0000651700000000 ] - [ 0.0000578700000000, -0.0000019800000000, -0.0002487600000000 ] - [ 0.0000578700000000, 0.0000019800000000, -0.0002487600000000 ] - [ -0.0004793300000000, -0.0001937800000000, 0.0004095700000000 ] - [ 0.0000029100000000, 0.0000874000000000, 0.0000651700000000 ] - [ 0.0005832100000000, 0.0001298000000000, 0.0007558700000000 ] - [ 0.0002474200000000, 0.0000836200000000, 0.0002240300000000 ] - [ 0.0003214500000000, 0.0000277600000000, 0.0005376900000000 ] - [ 0.0003214500000000, -0.0000277600000000, 0.0005376900000000 ] - [ 0.0000669800000000, 0.0000835900000000, -0.0000976500000000 ] - [ -0.0000855700000000, -0.0001146500000000, -0.0000307600000000 ] - [ 0.0005450000000000, 0.0000000000000000, -0.0001300400000000 ] - [ 0.0000771500000000, 0.0000000000000000, -0.0000918400000000 ] - [ -0.0002953300000000, 0.0000000000000000, -0.0007348900000000 ] - [ -0.0001107800000000, 0.0000000000000000, -0.0001906600000000 ] - [ 0.0000669800000000, -0.0000835900000000, -0.0000976500000000 ] - [ -0.0000855700000000, 0.0001146500000000, -0.0000307600000000 ]- atom: 83 displacement: [ 0.0047648475692096, 0.0000000000000000, -0.0087918273209952 ] forces: - [ 0.0023792000000000, -0.0019609500000000, -0.0063028100000000 ] - [ 0.0000683700000000, 0.0004446600000000, -0.0004896500000000 ] - [ 0.0023792000000000, 0.0019609500000000, -0.0063028100000000 ] - [ 0.0000683700000000, -0.0004446600000000, -0.0004896500000000 ] - [ 0.0001198500000000, -0.0000539700000000, 0.0002567800000000 ] - [ 0.0000766900000000, 0.0000160100000000, 0.0001588400000000 ] - [ 0.0001198500000000, 0.0000539700000000, 0.0002567800000000 ] - [ 0.0000766900000000, -0.0000160100000000, 0.0001588400000000 ] - [ -0.0001641700000000, -0.0001068300000000, 0.0007629900000000 ] - [ -0.0001641700000000, 0.0001068300000000, 0.0007629900000000 ] - [ -0.0033518300000000, 0.0010522400000000, 0.0049042700000000 ] - [ -0.0004240600000000, -0.0000604000000000, 0.0001829700000000 ] - [ -0.0003379200000000, -0.0002585900000000, -0.0007778600000000 ] - [ -0.0003379200000000, 0.0002585900000000, -0.0007778600000000 ] - [ -0.0004183100000000, 0.0022304600000000, -0.0005056700000000 ] - [ -0.0004183100000000, -0.0022304600000000, -0.0005056700000000 ] - [ 0.0032541300000000, -0.0021732600000000, 0.0009889300000000 ] - [ 0.0004245700000000, 0.0002984800000000, -0.0000311100000000 ] - [ -0.0011807600000000, -0.0025261200000000, -0.0016504900000000 ] - [ -0.0011807600000000, 0.0025261200000000, -0.0016504900000000 ] - [ -0.0021581200000000, 0.0000000000000000, 0.0037006100000000 ] - [ -0.0003152200000000, 0.0000000000000000, -0.0000448100000000 ] - [ 0.0018395900000000, 0.0000000000000000, -0.0032422000000000 ] - [ 0.0004077300000000, 0.0000000000000000, -0.0002607300000000 ] - [ 0.0315633600000000, 0.0000000000000000, -0.0704612900000000 ] - [ -0.0003439800000000, 0.0000000000000000, -0.0001488600000000 ] - [ -0.0033518300000000, -0.0010522400000000, 0.0049042700000000 ] - [ -0.0004240600000000, 0.0000604000000000, 0.0001829700000000 ] - [ 0.0032541300000000, 0.0021732600000000, 0.0009889300000000 ] - [ 0.0004245700000000, -0.0002984800000000, -0.0000311100000000 ] - [ -0.0041693900000000, 0.0000000000000000, -0.0150987900000000 ] - [ 0.0003366300000000, 0.0000000000000000, -0.0000824100000000 ] - [ 0.0010807200000000, 0.0000000000000000, -0.0004277600000000 ] - [ 0.0002553800000000, 0.0000000000000000, -0.0000152200000000 ] - [ 0.0000469900000000, 0.0001079800000000, -0.0000712000000000 ] - [ -0.0001619900000000, 0.0000103900000000, -0.0000445500000000 ] - [ -0.0011242200000000, 0.0000000000000000, -0.0004619800000000 ] - [ -0.0001702300000000, 0.0000000000000000, -0.0000410000000000 ] - [ 0.0003878700000000, 0.0000000000000000, 0.0005473200000000 ] - [ -0.0002606600000000, 0.0000000000000000, 0.0002221600000000 ] - [ 0.0002975100000000, -0.0003605300000000, 0.0011021500000000 ] - [ 0.0003225900000000, 0.0001480400000000, 0.0001339600000000 ] - [ 0.0003606500000000, 0.0000000000000000, 0.0004002500000000 ] - [ 0.0002279300000000, 0.0000000000000000, 0.0001439400000000 ] - [ -0.0001437000000000, 0.0000016000000000, -0.0001419300000000 ] - [ -0.0001437000000000, -0.0000016000000000, -0.0001419300000000 ] - [ 0.0001503900000000, -0.0000087700000000, -0.0000712900000000 ] - [ 0.0001503900000000, 0.0000087700000000, -0.0000712900000000 ] - [ -0.0000445900000000, 0.0001246500000000, 0.0001512700000000 ] - [ -0.0000445900000000, -0.0001246500000000, 0.0001512700000000 ] - [ 0.0000469900000000, -0.0001079800000000, -0.0000712000000000 ] - [ -0.0001619900000000, -0.0000103900000000, -0.0000445500000000 ] - [ 0.0002975100000000, 0.0003605300000000, 0.0011021500000000 ] - [ 0.0003225900000000, -0.0001480400000000, 0.0001339600000000 ] - [ 0.0004034400000000, -0.0002044900000000, 0.0003798200000000 ] - [ 0.0004034400000000, 0.0002044900000000, 0.0003798200000000 ] - [ 0.0005453600000000, 0.0002907300000000, 0.0012732700000000 ] - [ 0.0000706200000000, 0.0002626100000000, 0.0004644800000000 ] - [ -0.0000475200000000, -0.0002678800000000, -0.0002030000000000 ] - [ 0.0000515200000000, -0.0000707700000000, -0.0000245900000000 ] - [ -0.0000475200000000, 0.0002678800000000, -0.0002030000000000 ] - [ 0.0000515200000000, 0.0000707700000000, -0.0000245900000000 ] - [ 0.0005453600000000, -0.0002907300000000, 0.0012732700000000 ] - [ 0.0000706200000000, -0.0002626100000000, 0.0004644800000000 ] - [ -0.0027250900000000, 0.0083395000000000, -0.0003263800000000 ] - [ -0.0000580400000000, -0.0006043800000000, 0.0002303100000000 ] - [ -0.0011698700000000, -0.0010843400000000, 0.0014973200000000 ] - [ -0.0011698700000000, 0.0010843400000000, 0.0014973200000000 ] - [ -0.0084753100000000, 0.0000000000000000, -0.0014036600000000 ] - [ -0.0000043700000000, 0.0000000000000000, 0.0002281600000000 ] - [ -0.0003358900000000, -0.0080409500000000, -0.0114882200000000 ] - [ 0.0004040300000000, 0.0006010400000000, -0.0001051800000000 ] - [ -0.0003358900000000, 0.0080409500000000, -0.0114882200000000 ] - [ 0.0004040300000000, -0.0006010400000000, -0.0001051800000000 ] - [ -0.0003143000000000, 0.0002739100000000, 0.0027716900000000 ] - [ -0.0000156200000000, -0.0000512200000000, 0.0002368700000000 ] - [ 0.0096444000000000, 0.0000000000000000, 0.0016505000000000 ] - [ 0.0001406600000000, 0.0000000000000000, -0.0000980400000000 ] - [ -0.0003143000000000, -0.0002739100000000, 0.0027716900000000 ] - [ -0.0000156200000000, 0.0000512200000000, 0.0002368700000000 ] - [ -0.0027250900000000, -0.0083395000000000, -0.0003263800000000 ] - [ -0.0000580400000000, 0.0006043800000000, 0.0002303100000000 ] - [ -0.0305419700000000, 0.0000000000000000, 0.1097595700000000 ] - [ 0.0000773700000000, 0.0000000000000000, 0.0005378000000000 ] - [ 0.0016083200000000, -0.0003497800000000, -0.0020474900000000 ] - [ 0.0000090100000000, -0.0001934600000000, -0.0001571500000000 ] - [ 0.0004323300000000, 0.0002673800000000, -0.0007250500000000 ] - [ 0.0004323300000000, -0.0002673800000000, -0.0007250500000000 ] - [ 0.0022272600000000, -0.0026279900000000, -0.0010098600000000 ] - [ 0.0022272600000000, 0.0026279900000000, -0.0010098600000000 ] - [ 0.0016083200000000, 0.0003497800000000, -0.0020474900000000 ] - [ 0.0000090100000000, 0.0001934600000000, -0.0001571500000000 ] - [ -0.0003320900000000, -0.0001683100000000, -0.0006066000000000 ] - [ -0.0000035900000000, -0.0002132500000000, -0.0000852400000000 ] - [ -0.0002499700000000, 0.0000000000000000, -0.0004646300000000 ] - [ -0.0000533700000000, 0.0000000000000000, 0.0000451500000000 ] - [ -0.0000691400000000, -0.0004769700000000, -0.0001816800000000 ] - [ -0.0000691400000000, 0.0004769700000000, -0.0001816800000000 ] - [ -0.0004792900000000, -0.0000983100000000, -0.0000413500000000 ] - [ -0.0002432600000000, 0.0001529500000000, 0.0000635400000000 ] - [ -0.0004792900000000, 0.0000983100000000, -0.0000413500000000 ] - [ -0.0002432600000000, -0.0001529500000000, 0.0000635400000000 ] - [ 0.0006458900000000, -0.0003141300000000, -0.0004676700000000 ] - [ 0.0001682600000000, -0.0000324700000000, -0.0001292600000000 ] - [ -0.0000373700000000, 0.0000039100000000, -0.0000932700000000 ] - [ -0.0000373700000000, -0.0000039100000000, -0.0000932700000000 ] - [ 0.0006458900000000, 0.0003141300000000, -0.0004676700000000 ] - [ 0.0001682600000000, 0.0000324700000000, -0.0001292600000000 ] - [ -0.0003320900000000, 0.0001683100000000, -0.0006066000000000 ] - [ -0.0000035900000000, 0.0002132500000000, -0.0000852400000000 ] - [ -0.0000662500000000, -0.0000270000000000, -0.0001021800000000 ] - [ -0.0000662500000000, 0.0000270000000000, -0.0001021800000000 ] - [ -0.0003083200000000, -0.0003815600000000, -0.0000399100000000 ] - [ -0.0001577200000000, -0.0001836400000000, -0.0001071300000000 ] - [ -0.0005233400000000, 0.0000000000000000, -0.0000326300000000 ] - [ -0.0000590700000000, 0.0000000000000000, -0.0000720400000000 ] - [ 0.0000391900000000, 0.0000000000000000, 0.0002989300000000 ] - [ -0.0001435500000000, 0.0000000000000000, -0.0002417200000000 ] - [ -0.0003083200000000, 0.0003815600000000, -0.0000399100000000 ] - [ -0.0001577200000000, 0.0001836400000000, -0.0001071300000000 ]