# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/82c2a49b-c97b-42f2-8732-a644476f4ee8/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 NaPrTiNbO6F / P4_122 (91) / materials id 42897](https://mdr.nims.go.jp/datasets/bd15301c-6116-41a9-91d5-eb155fd14ce9) ## 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: "P4_122" number: 91 Hall_symbol: "P 4w 2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.313954100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.313954100000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.396314220000001 ] # c points: - symbol: F # 1 coordinates: [ 0.738522230000000, 0.261477770000000, 0.125000000000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.261477770000000, 0.738522230000000, 0.625000000000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.261477770000000, 0.261477770000000, 0.875000000000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.738522230000000, 0.738522230000000, 0.375000000000000 ] mass: 18.998403 - symbol: Na # 5 coordinates: [ 0.718226280000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.281773720000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.500000000000000, 0.281773720000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.718226280000000, 0.500000000000000 ] mass: 22.989769 - symbol: Nb # 9 coordinates: [ 0.500000000000000, 0.757909390000000, 0.000000000000000 ] mass: 92.906380 - symbol: Nb # 10 coordinates: [ 0.757909390000000, 0.500000000000000, 0.750000000000000 ] mass: 92.906380 - symbol: Nb # 11 coordinates: [ 0.242090610000000, 0.500000000000000, 0.250000000000000 ] mass: 92.906380 - symbol: Nb # 12 coordinates: [ 0.500000000000000, 0.242090610000000, 0.500000000000000 ] mass: 92.906380 - symbol: O # 13 coordinates: [ 0.053066650000000, 0.441294230000000, 0.382511620000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.227518950000000, 0.248001680000000, 0.178516270000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.039499190000000, 0.039499190000000, 0.375000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.558705770000000, 0.946933350000000, 0.867488380000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.039499190000000, 0.960500810000000, 0.125000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.960500810000000, 0.960500810000000, 0.875000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.772481050000000, 0.751998320000000, 0.678516270000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.248001680000000, 0.772481050000000, 0.928516270000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.751998320000000, 0.772481050000000, 0.071483730000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.227518950000000, 0.751998320000000, 0.321483730000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.946933350000000, 0.558705770000000, 0.882511620000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.561261670000000, 0.561261670000000, 0.875000000000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.053066650000000, 0.558705770000000, 0.117488380000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.561261670000000, 0.438738330000000, 0.625000000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.946933350000000, 0.441294230000000, 0.617488380000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.438738330000000, 0.438738330000000, 0.375000000000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.248001680000000, 0.227518950000000, 0.571483730000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.772481050000000, 0.248001680000000, 0.821483730000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.751998320000000, 0.227518950000000, 0.428516270000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.441294230000000, 0.053066650000000, 0.367488380000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.960500810000000, 0.039499190000000, 0.625000000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.558705770000000, 0.053066650000000, 0.632511620000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.441294230000000, 0.946933350000000, 0.132511620000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.438738330000000, 0.561261670000000, 0.125000000000000 ] mass: 15.999400 - symbol: Pr # 37 coordinates: [ 0.270046910000000, 0.000000000000000, 0.750000000000000 ] mass: 140.907650 - symbol: Pr # 38 coordinates: [ 0.000000000000000, 0.729953090000000, 0.500000000000000 ] mass: 140.907650 - symbol: Pr # 39 coordinates: [ 0.729953090000000, 0.000000000000000, 0.250000000000000 ] mass: 140.907650 - symbol: Pr # 40 coordinates: [ 0.000000000000000, 0.270046910000000, 0.000000000000000 ] mass: 140.907650 - symbol: Ti # 41 coordinates: [ 0.000000000000000, 0.235838940000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 42 coordinates: [ 0.764161060000000, 0.000000000000000, 0.750000000000000 ] mass: 47.867000 - symbol: Ti # 43 coordinates: [ 0.000000000000000, 0.764161060000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 44 coordinates: [ 0.235838940000000, 0.000000000000000, 0.250000000000000 ] mass: 47.867000 reciprocal_lattice: # without 2pi - [ 0.136724948820775, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.136724948820775, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.096187935343109 ] # c*unit_cell: lattice: - [ 7.313954100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.313954100000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.396314220000001 ] # c points: - symbol: F # 1 coordinates: [ 0.738522230000000, 0.261477770000000, 0.125000000000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.261477770000000, 0.738522230000000, 0.625000000000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.261477770000000, 0.261477770000000, 0.875000000000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.738522230000000, 0.738522230000000, 0.375000000000000 ] mass: 18.998403 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.718226280000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.281773720000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.500000000000000, 0.281773720000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.718226280000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.500000000000000, 0.757909390000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.757909390000000, 0.500000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.242090610000000, 0.500000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.500000000000000, 0.242090610000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.053066650000000, 0.441294230000000, 0.382511620000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.227518950000000, 0.248001680000000, 0.178516270000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.039499190000000, 0.039499190000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.558705770000000, 0.946933350000000, 0.867488380000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.039499190000000, 0.960500810000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.960500810000000, 0.960500810000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.772481050000000, 0.751998320000000, 0.678516270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.248001680000000, 0.772481050000000, 0.928516270000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.751998320000000, 0.772481050000000, 0.071483730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.227518950000000, 0.751998320000000, 0.321483730000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.946933350000000, 0.558705770000000, 0.882511620000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.561261670000000, 0.561261670000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.053066650000000, 0.558705770000000, 0.117488380000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.561261670000000, 0.438738330000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.946933350000000, 0.441294230000000, 0.617488380000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.438738330000000, 0.438738330000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.248001680000000, 0.227518950000000, 0.571483730000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.772481050000000, 0.248001680000000, 0.821483730000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.751998320000000, 0.227518950000000, 0.428516270000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.441294230000000, 0.053066650000000, 0.367488380000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.960500810000000, 0.039499190000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.558705770000000, 0.053066650000000, 0.632511620000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.441294230000000, 0.946933350000000, 0.132511620000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.438738330000000, 0.561261670000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: Pr # 37 coordinates: [ 0.270046910000000, 0.000000000000000, 0.750000000000000 ] mass: 140.907650 reduced_to: 37 - symbol: Pr # 38 coordinates: [ 0.000000000000000, 0.729953090000000, 0.500000000000000 ] mass: 140.907650 reduced_to: 38 - symbol: Pr # 39 coordinates: [ 0.729953090000000, 0.000000000000000, 0.250000000000000 ] mass: 140.907650 reduced_to: 39 - symbol: Pr # 40 coordinates: [ 0.000000000000000, 0.270046910000000, 0.000000000000000 ] mass: 140.907650 reduced_to: 40 - symbol: Ti # 41 coordinates: [ 0.000000000000000, 0.235838940000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 42 coordinates: [ 0.764161060000000, 0.000000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 42 - symbol: Ti # 43 coordinates: [ 0.000000000000000, 0.764161060000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 44 coordinates: [ 0.235838940000000, 0.000000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 44supercell: lattice: - [ 7.313954100000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.313954100000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.396314220000001 ] # c points: - symbol: F # 1 coordinates: [ 0.738522230000000, 0.261477770000000, 0.125000000000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.261477770000000, 0.738522230000000, 0.625000000000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.261477770000000, 0.261477770000000, 0.875000000000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.738522230000000, 0.738522230000000, 0.375000000000000 ] mass: 18.998403 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.718226280000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.281773720000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.500000000000000, 0.281773720000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.718226280000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.500000000000000, 0.757909390000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.757909390000000, 0.500000000000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.242090610000000, 0.500000000000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.500000000000000, 0.242090610000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.053066650000000, 0.441294230000000, 0.382511620000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.227518950000000, 0.248001680000000, 0.178516270000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.039499190000000, 0.039499190000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.558705770000000, 0.946933350000000, 0.867488380000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.039499190000000, 0.960500810000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.960500810000000, 0.960500810000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.772481050000000, 0.751998320000000, 0.678516270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.248001680000000, 0.772481050000000, 0.928516270000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.751998320000000, 0.772481050000000, 0.071483730000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.227518950000000, 0.751998320000000, 0.321483730000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.946933350000000, 0.558705770000000, 0.882511620000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.561261670000000, 0.561261670000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.053066650000000, 0.558705770000000, 0.117488380000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.561261670000000, 0.438738330000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.946933350000000, 0.441294230000000, 0.617488380000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.438738330000000, 0.438738330000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.248001680000000, 0.227518950000000, 0.571483730000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.772481050000000, 0.248001680000000, 0.821483730000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.751998320000000, 0.227518950000000, 0.428516270000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.441294230000000, 0.053066650000000, 0.367488380000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.960500810000000, 0.039499190000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.558705770000000, 0.053066650000000, 0.632511620000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.441294230000000, 0.946933350000000, 0.132511620000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.438738330000000, 0.561261670000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 36 - symbol: Pr # 37 coordinates: [ 0.270046910000000, 0.000000000000000, 0.750000000000000 ] mass: 140.907650 reduced_to: 37 - symbol: Pr # 38 coordinates: [ 0.000000000000000, 0.729953090000000, 0.500000000000000 ] mass: 140.907650 reduced_to: 38 - symbol: Pr # 39 coordinates: [ 0.729953090000000, 0.000000000000000, 0.250000000000000 ] mass: 140.907650 reduced_to: 39 - symbol: Pr # 40 coordinates: [ 0.000000000000000, 0.270046910000000, 0.000000000000000 ] mass: 140.907650 reduced_to: 40 - symbol: Ti # 41 coordinates: [ 0.000000000000000, 0.235838940000000, 0.500000000000000 ] mass: 47.867000 reduced_to: 41 - symbol: Ti # 42 coordinates: [ 0.764161060000000, 0.000000000000000, 0.750000000000000 ] mass: 47.867000 reduced_to: 42 - symbol: Ti # 43 coordinates: [ 0.000000000000000, 0.764161060000000, 0.000000000000000 ] mass: 47.867000 reduced_to: 43 - symbol: Ti # 44 coordinates: [ 0.235838940000000, 0.000000000000000, 0.250000000000000 ] mass: 47.867000 reduced_to: 44displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0760266900000000, 0.0038176700000000, 0.0199291900000000 ] - [ -0.0000526700000000, -0.0002028500000000, -0.0003221700000000 ] - [ 0.0087475800000000, -0.0013666700000000, -0.0051100700000000 ] - [ 0.0001140900000000, 0.0013853500000000, -0.0013766000000000 ] - [ 0.0010578700000000, 0.0001106000000000, -0.0000645400000000 ] - [ -0.0001834300000000, -0.0004467700000000, 0.0003913600000000 ] - [ 0.0132300900000000, -0.0007776900000000, 0.0090032400000000 ] - [ -0.0001385300000000, -0.0001560200000000, 0.0002873400000000 ] - [ -0.0000143500000000, -0.0001311500000000, -0.0046054100000000 ] - [ 0.0033528500000000, -0.0004123400000000, 0.0012686400000000 ] - [ -0.0078682300000000, -0.0006632900000000, -0.0012431100000000 ] - [ -0.0005835700000000, -0.0000947600000000, 0.0029992600000000 ] - [ 0.0006237000000000, 0.0001694400000000, -0.0001208800000000 ] - [ 0.0042706600000000, 0.0000190500000000, 0.0022913800000000 ] - [ -0.0001375100000000, -0.0002918700000000, 0.0000849600000000 ] - [ -0.0002607200000000, -0.0002773800000000, 0.0018194000000000 ] - [ 0.0034271900000000, -0.0045738900000000, 0.0016384500000000 ] - [ -0.0011683100000000, -0.0015990000000000, -0.0014648000000000 ] - [ -0.0002818000000000, 0.0000729000000000, -0.0004818700000000 ] - [ 0.0019078100000000, 0.0000152300000000, 0.0004273800000000 ] - [ -0.0020725200000000, 0.0004348700000000, 0.0010711800000000 ] - [ 0.0006621600000000, 0.0001466400000000, 0.0002857200000000 ] - [ -0.0018875700000000, 0.0022780300000000, -0.0022442300000000 ] - [ -0.0007648000000000, 0.0001483400000000, 0.0017408100000000 ] - [ 0.0041115800000000, 0.0041336300000000, 0.0023354000000000 ] - [ -0.0005531800000000, -0.0002934400000000, -0.0008738700000000 ] - [ -0.0002025500000000, -0.0001382100000000, -0.0001070800000000 ] - [ 0.0016454100000000, -0.0000805800000000, -0.0006598700000000 ] - [ 0.0003120500000000, -0.0000286000000000, -0.0006725200000000 ] - [ -0.0025104500000000, -0.0000454000000000, -0.0011759500000000 ] - [ -0.0008421400000000, -0.0003257800000000, -0.0014307200000000 ] - [ 0.0013411500000000, 0.0002286500000000, -0.0007224700000000 ] - [ -0.0001255000000000, 0.0001847100000000, -0.0004686400000000 ] - [ -0.0002551900000000, 0.0003464100000000, -0.0010772800000000 ] - [ 0.0042113200000000, 0.0044518000000000, -0.0005100800000000 ] - [ 0.0048293300000000, -0.0037318800000000, -0.0005171300000000 ] - [ -0.0009792400000000, 0.0017002900000000, 0.0013715600000000 ] - [ 0.0005945300000000, -0.0002294800000000, 0.0006588500000000 ] - [ 0.0033279700000000, -0.0051155400000000, 0.0030549400000000 ] - [ 0.0407875300000000, 0.0005219000000000, -0.0265737500000000 ] - [ 0.0007163300000000, 0.0002404400000000, 0.0005047900000000 ] - [ 0.0023133100000000, 0.0003696400000000, 0.0008122800000000 ] - [ 0.0011731800000000, -0.0003312100000000, 0.0007888500000000 ] - [ -0.0058487900000000, 0.0005382100000000, -0.0009419400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0749580500000000, -0.0040978700000000, -0.0175364800000000 ] - [ 0.0000280300000000, 0.0002222500000000, 0.0003174500000000 ] - [ -0.0086523800000000, 0.0013195100000000, 0.0050352900000000 ] - [ -0.0001092100000000, -0.0013006200000000, 0.0013248900000000 ] - [ -0.0013524400000000, -0.0001739500000000, 0.0000154000000000 ] - [ 0.0004831900000000, 0.0004387000000000, -0.0003810600000000 ] - [ -0.0139670400000000, 0.0011565900000000, -0.0096760400000000 ] - [ 0.0001327100000000, -0.0001464600000000, -0.0002819500000000 ] - [ -0.0000206500000000, 0.0004557900000000, 0.0045986800000000 ] - [ -0.0030042000000000, 0.0004208400000000, -0.0012512300000000 ] - [ 0.0075398000000000, 0.0006403400000000, 0.0011952200000000 ] - [ 0.0005515500000000, -0.0002195600000000, -0.0029806400000000 ] - [ -0.0004742700000000, -0.0001298900000000, -0.0004786500000000 ] - [ -0.0044116600000000, -0.0000237800000000, -0.0023329700000000 ] - [ 0.0001394400000000, 0.0003203000000000, -0.0000820600000000 ] - [ 0.0002415600000000, 0.0001167700000000, -0.0012195600000000 ] - [ -0.0033910600000000, 0.0044909400000000, -0.0016248900000000 ] - [ 0.0011130200000000, 0.0015514400000000, 0.0014489100000000 ] - [ 0.0004363400000000, -0.0000539700000000, 0.0003968800000000 ] - [ -0.0019041600000000, 0.0001392700000000, -0.0005100300000000 ] - [ 0.0020741500000000, -0.0002648700000000, -0.0009571900000000 ] - [ -0.0008205400000000, -0.0001411800000000, -0.0001987700000000 ] - [ 0.0016976500000000, -0.0022843600000000, 0.0016219200000000 ] - [ 0.0007231300000000, -0.0001955200000000, -0.0017375300000000 ] - [ -0.0039366800000000, -0.0041240600000000, -0.0017078700000000 ] - [ 0.0005062900000000, 0.0003355300000000, 0.0008626000000000 ] - [ 0.0000364800000000, 0.0001712300000000, 0.0007058800000000 ] - [ -0.0015821200000000, 0.0001300300000000, 0.0006733900000000 ] - [ -0.0003136600000000, -0.0001252400000000, 0.0007478300000000 ] - [ 0.0026362300000000, 0.0000215200000000, 0.0012724400000000 ] - [ 0.0008510900000000, 0.0001644100000000, 0.0012920400000000 ] - [ -0.0012748300000000, -0.0000790600000000, 0.0013330700000000 ] - [ 0.0000879400000000, -0.0001549700000000, 0.0004655900000000 ] - [ 0.0002292900000000, -0.0001881800000000, 0.0004690200000000 ] - [ -0.0041650500000000, -0.0046562400000000, -0.0000863500000000 ] - [ -0.0047871300000000, 0.0037197900000000, 0.0005187600000000 ] - [ 0.0011787500000000, -0.0016720900000000, -0.0013404100000000 ] - [ -0.0005691000000000, 0.0000234800000000, -0.0006398600000000 ] - [ -0.0035558500000000, 0.0052489000000000, -0.0031554800000000 ] - [ -0.0390527600000000, -0.0002524700000000, 0.0250650500000000 ] - [ -0.0006913900000000, -0.0002301900000000, -0.0004852000000000 ] - [ -0.0023086200000000, -0.0003767200000000, -0.0007987500000000 ] - [ -0.0011471100000000, 0.0003235900000000, -0.0007991900000000 ] - [ 0.0058471900000000, -0.0005199500000000, 0.0009018500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0185700400000000, 0.0188867700000000, -0.0699731300000000 ] - [ 0.0003079400000000, 0.0003327000000000, 0.0008011600000000 ] - [ -0.0050791000000000, 0.0013351800000000, 0.0052933700000000 ] - [ 0.0013655000000000, -0.0050644000000000, 0.0053255200000000 ] - [ -0.0010768900000000, 0.0114161900000000, 0.0100128500000000 ] - [ 0.0002373900000000, 0.0004516100000000, -0.0008025900000000 ] - [ 0.0109426100000000, -0.0007342400000000, 0.0097948900000000 ] - [ 0.0004532200000000, -0.0000613300000000, -0.0008022300000000 ] - [ -0.0000373300000000, 0.0013154300000000, 0.0049622900000000 ] - [ -0.0007205900000000, 0.0037827300000000, -0.0068329900000000 ] - [ 0.0009870000000000, -0.0000422500000000, 0.0050112300000000 ] - [ 0.0038190200000000, -0.0010450700000000, -0.0068261500000000 ] - [ 0.0014968200000000, 0.0003641000000000, -0.0002879600000000 ] - [ -0.0011329000000000, 0.0003120100000000, -0.0034630100000000 ] - [ 0.0021672000000000, 0.0001718300000000, 0.0007533500000000 ] - [ 0.0003240900000000, 0.0013242300000000, 0.0003279300000000 ] - [ 0.0001537400000000, 0.0001574300000000, -0.0035989400000000 ] - [ 0.0001481400000000, 0.0021324600000000, 0.0007615200000000 ] - [ -0.0001690900000000, -0.0003436800000000, 0.0018164500000000 ] - [ -0.0004886100000000, -0.0000153100000000, -0.0008319200000000 ] - [ 0.0003184900000000, -0.0009774700000000, -0.0033819600000000 ] - [ -0.0001719300000000, -0.0004844200000000, -0.0007582900000000 ] - [ 0.0004646400000000, -0.0029112500000000, 0.0009518600000000 ] - [ 0.0002397700000000, -0.0019438700000000, 0.0001104300000000 ] - [ -0.0010165100000000, -0.0013764000000000, -0.0029296100000000 ] - [ 0.0011804800000000, 0.0012287200000000, 0.0027470600000000 ] - [ -0.0011519000000000, 0.0006393800000000, 0.0029968900000000 ] - [ -0.0019064800000000, 0.0002976400000000, 0.0000937700000000 ] - [ -0.0003578600000000, -0.0003278100000000, 0.0019049800000000 ] - [ 0.0001702200000000, -0.0003498800000000, 0.0086642000000000 ] - [ -0.0003374400000000, 0.0000044600000000, 0.0086753000000000 ] - [ -0.0028910200000000, 0.0006224600000000, 0.0015486700000000 ] - [ -0.0007443400000000, -0.0007218700000000, 0.0024944200000000 ] - [ 0.0006035000000000, -0.0009949500000000, 0.0024000500000000 ] - [ -0.0013251500000000, -0.0011532400000000, -0.0035440600000000 ] - [ 0.0002998400000000, 0.0002217300000000, -0.0022345000000000 ] - [ 0.0003646900000000, -0.0016395000000000, -0.0028880000000000 ] - [ -0.0016471100000000, 0.0001627300000000, -0.0028822000000000 ] - [ -0.0005647300000000, -0.0220015900000000, 0.0188974200000000 ] - [ -0.0211187700000000, -0.0003302500000000, 0.0185852500000000 ] - [ -0.0030209900000000, -0.0005261000000000, -0.0048065700000000 ] - [ -0.0005386000000000, -0.0029936000000000, -0.0048126000000000 ] - [ -0.0001147900000000, 0.0009868600000000, 0.0033431800000000 ] - [ 0.0009977900000000, -0.0001081500000000, 0.0033827000000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012152900000000, -0.0009406200000000, -0.0008773500000000 ] - [ -0.0003467800000000, 0.0000106400000000, -0.0000873500000000 ] - [ -0.0003467800000000, -0.0000106400000000, 0.0000873500000000 ] - [ 0.0012152900000000, 0.0009406200000000, 0.0008773500000000 ] - [ -0.0132282000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003286100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002259200000000, 0.0010348700000000, 0.0014119000000000 ] - [ 0.0002259200000000, -0.0010348700000000, -0.0014119000000000 ] - [ -0.0014678900000000, -0.0048283100000000, 0.0052313200000000 ] - [ -0.0019891200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0236443600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014678900000000, 0.0048283100000000, -0.0052313200000000 ] - [ -0.0056443900000000, 0.0015823700000000, -0.0018226000000000 ] - [ -0.0021131400000000, -0.0001288100000000, -0.0002226400000000 ] - [ -0.0004796700000000, 0.0003416000000000, 0.0001578100000000 ] - [ 0.0003672600000000, 0.0005441700000000, -0.0003895700000000 ] - [ -0.0004796700000000, -0.0003416000000000, -0.0001578100000000 ] - [ 0.0001810500000000, -0.0002438100000000, 0.0005280800000000 ] - [ 0.0004882100000000, 0.0000299200000000, -0.0002218800000000 ] - [ -0.0012714900000000, 0.0001643200000000, -0.0001505600000000 ] - [ 0.0031688900000000, 0.0000184300000000, 0.0006103300000000 ] - [ -0.0021131400000000, 0.0001288100000000, 0.0002226400000000 ] - [ 0.0004134300000000, -0.0000411800000000, 0.0005962900000000 ] - [ 0.0007210200000000, -0.0001920400000000, -0.0010546200000000 ] - [ -0.0056443900000000, -0.0015823700000000, 0.0018226000000000 ] - [ 0.0007210200000000, 0.0001920400000000, 0.0010546200000000 ] - [ 0.0004134300000000, 0.0000411800000000, -0.0005962900000000 ] - [ -0.0003386300000000, -0.0016273400000000, -0.0001289300000000 ] - [ -0.0012714900000000, -0.0001643200000000, 0.0001505600000000 ] - [ 0.0004882100000000, -0.0000299200000000, 0.0002218800000000 ] - [ 0.0031688900000000, -0.0000184300000000, -0.0006103300000000 ] - [ -0.0002674100000000, -0.0006053000000000, 0.0002607300000000 ] - [ 0.0001810500000000, 0.0002438100000000, -0.0005280800000000 ] - [ 0.0003672600000000, -0.0005441700000000, 0.0003895700000000 ] - [ -0.0002674100000000, 0.0006053000000000, -0.0002607300000000 ] - [ -0.0003386300000000, 0.0016273400000000, 0.0001289300000000 ] - [ 0.0005308500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015705400000000, 0.0024560900000000, 0.0035209900000000 ] - [ -0.0033218200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015705400000000, -0.0024560900000000, -0.0035209900000000 ] - [ 0.0000386100000000, -0.0031238400000000, 0.0030140300000000 ] - [ -0.0013082900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000386100000000, 0.0031238400000000, -0.0030140300000000 ] - [ 0.0024219500000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012030200000000, 0.0009958100000000, 0.0009317900000000 ] - [ 0.0003218100000000, 0.0000159200000000, 0.0000885000000000 ] - [ 0.0003218100000000, -0.0000159200000000, -0.0000885000000000 ] - [ -0.0012030200000000, -0.0009958100000000, -0.0009317900000000 ] - [ 0.0135995500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000279000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002158500000000, -0.0007339100000000, -0.0014161800000000 ] - [ -0.0002158500000000, 0.0007339100000000, 0.0014161800000000 ] - [ 0.0015003500000000, 0.0052073000000000, -0.0052403300000000 ] - [ 0.0023594400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0240604600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015003500000000, -0.0052073000000000, 0.0052403300000000 ] - [ 0.0058333800000000, -0.0015547500000000, 0.0012105900000000 ] - [ 0.0019654000000000, 0.0001342800000000, 0.0001459200000000 ] - [ 0.0005086900000000, -0.0003027300000000, -0.0001482600000000 ] - [ -0.0004039200000000, -0.0007120000000000, 0.0010016900000000 ] - [ 0.0005086900000000, 0.0003027300000000, 0.0001482600000000 ] - [ -0.0002006500000000, 0.0002022200000000, -0.0005112500000000 ] - [ -0.0003362800000000, -0.0000244900000000, 0.0001399400000000 ] - [ 0.0012477700000000, -0.0000139100000000, 0.0000728200000000 ] - [ -0.0031527700000000, 0.0001375300000000, -0.0005605400000000 ] - [ 0.0019654000000000, -0.0001342800000000, -0.0001459200000000 ] - [ -0.0005816600000000, 0.0000287400000000, -0.0011963400000000 ] - [ -0.0007838300000000, 0.0001373800000000, 0.0010595600000000 ] - [ 0.0058333800000000, 0.0015547500000000, -0.0012105900000000 ] - [ -0.0007838300000000, -0.0001373800000000, -0.0010595600000000 ] - [ -0.0005816600000000, -0.0000287400000000, 0.0011963400000000 ] - [ 0.0001124300000000, 0.0016364500000000, 0.0002611500000000 ] - [ 0.0012477700000000, 0.0000139100000000, -0.0000728200000000 ] - [ -0.0003362800000000, 0.0000244900000000, -0.0001399400000000 ] - [ -0.0031527700000000, -0.0001375300000000, 0.0005605400000000 ] - [ 0.0002785200000000, 0.0007859600000000, 0.0003484700000000 ] - [ -0.0002006500000000, -0.0002022200000000, 0.0005112500000000 ] - [ -0.0004039200000000, 0.0007120000000000, -0.0010016900000000 ] - [ 0.0002785200000000, -0.0007859600000000, -0.0003484700000000 ] - [ 0.0001124300000000, -0.0016364500000000, -0.0002611500000000 ] - [ -0.0003239400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016011600000000, -0.0026446000000000, -0.0035030700000000 ] - [ 0.0031127700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0016011600000000, 0.0026446000000000, 0.0035030700000000 ] - [ -0.0000651500000000, 0.0031431400000000, -0.0029942300000000 ] - [ 0.0012676800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000651500000000, -0.0031431400000000, 0.0029942300000000 ] - [ -0.0023752500000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001920800000000, 0.0132258500000000, 0.0108608900000000 ] - [ -0.0004535700000000, -0.0001223100000000, -0.0004515900000000 ] - [ 0.0004312400000000, -0.0001467300000000, -0.0004529800000000 ] - [ -0.0000898400000000, 0.0139746200000000, 0.0115030800000000 ] - [ -0.0002458300000000, -0.0518387000000000, -0.0316235400000000 ] - [ 0.0001520900000000, -0.0002144500000000, -0.0000553600000000 ] - [ 0.0013371500000000, 0.0003767900000000, 0.0017805800000000 ] - [ -0.0013365000000000, 0.0000657400000000, 0.0017862900000000 ] - [ -0.0047110200000000, 0.0012570000000000, -0.0045081100000000 ] - [ 0.0001692300000000, -0.0014262100000000, -0.0005546700000000 ] - [ -0.0001574000000000, -0.0045054700000000, 0.0027082100000000 ] - [ 0.0046867800000000, 0.0009629500000000, -0.0044915600000000 ] - [ 0.0007543200000000, 0.0024520600000000, -0.0003809500000000 ] - [ 0.0000348800000000, 0.0001583000000000, 0.0001794600000000 ] - [ 0.0002846400000000, -0.0015126600000000, -0.0002704900000000 ] - [ -0.0000484300000000, -0.0009088700000000, 0.0012250500000000 ] - [ -0.0002555100000000, -0.0015497300000000, -0.0002604700000000 ] - [ -0.0000338900000000, -0.0008705800000000, 0.0005670300000000 ] - [ 0.0001312800000000, 0.0000504400000000, -0.0007788500000000 ] - [ 0.0002473000000000, -0.0001748000000000, 0.0005668700000000 ] - [ -0.0001754300000000, -0.0016076900000000, 0.0047703700000000 ] - [ -0.0001834400000000, 0.0001712300000000, 0.0002491900000000 ] - [ -0.0000242400000000, 0.0008727800000000, 0.0000290200000000 ] - [ -0.0002899800000000, 0.0007824100000000, 0.0007257100000000 ] - [ -0.0005772900000000, 0.0024373900000000, 0.0002197800000000 ] - [ 0.0002403800000000, 0.0008253600000000, 0.0007247400000000 ] - [ -0.0001427800000000, 0.0008972600000000, 0.0006432800000000 ] - [ -0.0004163000000000, 0.0029584200000000, -0.0008418100000000 ] - [ -0.0002474400000000, -0.0003268700000000, 0.0006416100000000 ] - [ 0.0000173400000000, 0.0000289700000000, -0.0007103200000000 ] - [ 0.0001752300000000, -0.0018133700000000, 0.0046946200000000 ] - [ -0.0005770900000000, -0.0014991400000000, 0.0000812500000000 ] - [ -0.0000149800000000, -0.0008363600000000, 0.0005766600000000 ] - [ 0.0000314200000000, -0.0007518800000000, 0.0006241800000000 ] - [ 0.0006180800000000, -0.0016621500000000, -0.0005187100000000 ] - [ 0.0004630400000000, 0.0029270000000000, -0.0008570400000000 ] - [ 0.0001035700000000, 0.0008103000000000, -0.0002983300000000 ] - [ 0.0045081000000000, 0.0001687700000000, 0.0042103200000000 ] - [ -0.0000969900000000, 0.0217864100000000, -0.0020199400000000 ] - [ -0.0045093000000000, 0.0003884100000000, 0.0042038700000000 ] - [ -0.0034635500000000, 0.0005030800000000, -0.0022461500000000 ] - [ -0.0000042800000000, 0.0011289300000000, -0.0007357500000000 ] - [ 0.0034781300000000, 0.0004722100000000, -0.0022537000000000 ] - [ -0.0000011800000000, 0.0020852900000000, 0.0007382700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000071600000000, 0.0091023900000000, 0.0097967300000000 ] - [ -0.0003965400000000, -0.0002740500000000, -0.0008002100000000 ] - [ 0.0003762000000000, -0.0002963300000000, -0.0008025500000000 ] - [ 0.0000747000000000, 0.0095711700000000, 0.0100126500000000 ] - [ -0.0000883100000000, -0.0316158400000000, -0.0314739400000000 ] - [ 0.0001506000000000, 0.0000561500000000, 0.0006792600000000 ] - [ 0.0017748900000000, 0.0015550400000000, 0.0020139200000000 ] - [ -0.0017923200000000, 0.0012744200000000, 0.0020242800000000 ] - [ 0.0046246100000000, -0.0044970700000000, 0.0055267000000000 ] - [ 0.0001724600000000, 0.0003248600000000, 0.0068710600000000 ] - [ -0.0001598500000000, 0.0021814800000000, -0.0144990800000000 ] - [ -0.0046666300000000, -0.0048728300000000, 0.0055187400000000 ] - [ -0.0042894600000000, 0.0007264000000000, 0.0017942700000000 ] - [ 0.0000766300000000, -0.0002440200000000, 0.0018181200000000 ] - [ -0.0011848100000000, 0.0003538300000000, 0.0014936100000000 ] - [ 0.0003264300000000, 0.0009213400000000, -0.0016724900000000 ] - [ 0.0012100300000000, 0.0003228000000000, 0.0014893300000000 ] - [ -0.0003862500000000, 0.0005753700000000, -0.0017296500000000 ] - [ 0.0002278200000000, 0.0000204500000000, -0.0017776700000000 ] - [ -0.0002144700000000, 0.0005768500000000, -0.0010754000000000 ] - [ 0.0002837200000000, 0.0032216100000000, -0.0013970400000000 ] - [ -0.0002326800000000, -0.0002465300000000, 0.0019006500000000 ] - [ -0.0006202900000000, -0.0002204600000000, -0.0025845200000000 ] - [ 0.0006855200000000, -0.0003754700000000, -0.0026172400000000 ] - [ 0.0044621900000000, 0.0006874400000000, 0.0023748000000000 ] - [ -0.0007264900000000, -0.0003162600000000, -0.0026209000000000 ] - [ 0.0004406900000000, -0.0001755000000000, -0.0019737000000000 ] - [ 0.0020107600000000, 0.0004688700000000, 0.0044723500000000 ] - [ 0.0002126500000000, 0.0004232700000000, -0.0009810000000000 ] - [ -0.0000755000000000, 0.0000116500000000, -0.0016952100000000 ] - [ -0.0002881800000000, 0.0030540700000000, -0.0014274700000000 ] - [ 0.0010941300000000, 0.0008297900000000, 0.0019321300000000 ] - [ 0.0003516900000000, 0.0005969200000000, -0.0017183600000000 ] - [ -0.0003559400000000, 0.0010820800000000, -0.0022678000000000 ] - [ -0.0010554200000000, 0.0006553600000000, 0.0013138100000000 ] - [ -0.0020587200000000, 0.0004515100000000, 0.0043944000000000 ] - [ 0.0001047600000000, -0.0002074400000000, 0.0022221200000000 ] - [ 0.0048836300000000, 0.0026843900000000, 0.0043216400000000 ] - [ -0.0001039600000000, 0.0029305200000000, -0.0085182300000000 ] - [ -0.0048568200000000, 0.0028583600000000, 0.0043212600000000 ] - [ 0.0031982000000000, -0.0022804600000000, 0.0028933900000000 ] - [ -0.0000144000000000, 0.0001715600000000, 0.0038383900000000 ] - [ -0.0031811100000000, -0.0022918800000000, 0.0029066000000000 ] - [ 0.0000130000000000, 0.0002242000000000, -0.0042977500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000209200000000, -0.0006665500000000, -0.0000426000000000 ] - [ -0.0005756600000000, -0.0004048300000000, -0.0037866900000000 ] - [ -0.0000106400000000, 0.0006332700000000, -0.0000434000000000 ] - [ -0.0005537700000000, 0.0004273800000000, -0.0038089600000000 ] - [ -0.0016452600000000, -0.0047311000000000, 0.0046744800000000 ] - [ -0.0013267300000000, 0.0046686700000000, 0.0046170200000000 ] - [ -0.0045101500000000, 0.0001604600000000, 0.0021786500000000 ] - [ -0.0014262700000000, -0.0001531500000000, -0.0003210700000000 ] - [ -0.2241798900000000, -0.0002526800000000, -0.0113385900000000 ] - [ 0.0178432900000000, -0.0081052000000000, -0.0194696600000000 ] - [ 0.0175932500000000, 0.0081115800000000, -0.0195361800000000 ] - [ -0.0054303000000000, -0.0001289900000000, -0.0049974700000000 ] - [ -0.0042490000000000, -0.0016333200000000, 0.0051709000000000 ] - [ -0.0030746600000000, -0.0014720900000000, 0.0003059400000000 ] - [ -0.0034234500000000, 0.0009212600000000, 0.0034385300000000 ] - [ 0.0140640600000000, 0.0102436900000000, -0.0045482000000000 ] - [ -0.0183239000000000, -0.0026465500000000, 0.0006464700000000 ] - [ -0.0183204100000000, 0.0027068400000000, 0.0005653000000000 ] - [ -0.0025538200000000, -0.0008118700000000, 0.0024849200000000 ] - [ 0.0278448300000000, 0.0021638500000000, 0.0339376800000000 ] - [ 0.0335954600000000, -0.0016884100000000, 0.0366155900000000 ] - [ -0.0027190600000000, 0.0008390700000000, 0.0025697700000000 ] - [ -0.0154248100000000, -0.0028612400000000, 0.0001158400000000 ] - [ 0.0051642900000000, -0.0112055600000000, -0.0037219200000000 ] - [ -0.0153347200000000, 0.0027638300000000, 0.0007729800000000 ] - [ 0.0020773800000000, 0.0022812600000000, 0.0047663800000000 ] - [ -0.0044017800000000, 0.0016832000000000, 0.0057757600000000 ] - [ 0.0021331100000000, -0.0022619900000000, 0.0048039400000000 ] - [ 0.0000049900000000, 0.0019156700000000, -0.0028087200000000 ] - [ -0.0029383100000000, 0.0014468700000000, 0.0003885000000000 ] - [ 0.0000110600000000, -0.0020916300000000, -0.0029175000000000 ] - [ 0.0026927600000000, 0.0013015100000000, 0.0034567600000000 ] - [ -0.0034680800000000, -0.0009036800000000, 0.0034506600000000 ] - [ 0.0026550000000000, -0.0011533300000000, 0.0028985400000000 ] - [ 0.0146615600000000, -0.0108587000000000, -0.0056810800000000 ] - [ 0.0056925300000000, 0.0115617300000000, -0.0040122700000000 ] - [ -0.0064931300000000, -0.0188352900000000, 0.0212983200000000 ] - [ 0.0056080800000000, -0.0001058200000000, -0.0004986900000000 ] - [ -0.0066828800000000, 0.0190502200000000, 0.0215699700000000 ] - [ 0.0097203400000000, 0.0001069500000000, 0.0002483900000000 ] - [ 0.0042308900000000, 0.0000187400000000, -0.0049294200000000 ] - [ 0.0129806600000000, 0.0051689800000000, -0.0127194800000000 ] - [ 0.1555443400000000, -0.0000469600000000, -0.0489034400000000 ] - [ 0.0129278900000000, -0.0051561300000000, -0.0126659900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003114400000000, -0.0076912300000000, 0.0011354000000000 ] - [ 0.0000596100000000, 0.0031833800000000, 0.0008823300000000 ] - [ 0.0003114400000000, -0.0076912300000000, -0.0011354000000000 ] - [ -0.0000596100000000, 0.0031833800000000, -0.0008823300000000 ] - [ -0.0051383700000000, 0.0011118900000000, -0.0046554400000000 ] - [ 0.0051383700000000, 0.0011118900000000, 0.0046554400000000 ] - [ 0.0000000000000000, 0.0239327200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0023268800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.2361560100000000, 0.0000000000000000 ] - [ -0.0561880500000000, 0.0177128200000000, 0.0523785800000000 ] - [ 0.0561880500000000, 0.0177128200000000, -0.0523785800000000 ] - [ 0.0000000000000000, 0.0266318000000000, 0.0000000000000000 ] - [ -0.0086370100000000, -0.0040937000000000, 0.0091590300000000 ] - [ -0.0005043100000000, -0.0241282700000000, 0.0000197400000000 ] - [ 0.0043294000000000, -0.0031737100000000, -0.0081283000000000 ] - [ -0.0002368700000000, 0.0377702800000000, -0.0137498600000000 ] - [ 0.0050351200000000, 0.0016833100000000, 0.0021993400000000 ] - [ -0.0050351200000000, 0.0016833100000000, -0.0021993400000000 ] - [ 0.0013652700000000, 0.0159124700000000, -0.0015003400000000 ] - [ -0.0061282900000000, 0.0171625600000000, -0.0043938000000000 ] - [ 0.0061282900000000, 0.0171625600000000, 0.0043938000000000 ] - [ -0.0013652700000000, 0.0159124700000000, 0.0015003400000000 ] - [ 0.0099881200000000, 0.0043773100000000, 0.0042853500000000 ] - [ 0.0123379600000000, 0.0427470200000000, 0.0111263600000000 ] - [ -0.0099881200000000, 0.0043773100000000, -0.0042853500000000 ] - [ -0.0025386700000000, -0.0095645100000000, -0.0138677600000000 ] - [ 0.0086370100000000, -0.0040937000000000, -0.0091590300000000 ] - [ 0.0025386700000000, -0.0095645100000000, 0.0138677600000000 ] - [ -0.0003878900000000, -0.0053456000000000, 0.0017022700000000 ] - [ 0.0005043100000000, -0.0241282700000000, -0.0000197400000000 ] - [ 0.0003878900000000, -0.0053456000000000, -0.0017022700000000 ] - [ -0.0008016400000000, -0.0079205100000000, -0.0125724600000000 ] - [ -0.0043294000000000, -0.0031737100000000, 0.0081283000000000 ] - [ 0.0008016400000000, -0.0079205100000000, 0.0125724600000000 ] - [ 0.0002368700000000, 0.0377702800000000, 0.0137498600000000 ] - [ -0.0123379600000000, 0.0427470200000000, -0.0111263600000000 ] - [ -0.0193687200000000, 0.0041104000000000, -0.0163702900000000 ] - [ 0.0000000000000000, -0.0060182000000000, 0.0000000000000000 ] - [ 0.0193687200000000, 0.0041104000000000, 0.0163702900000000 ] - [ 0.0000000000000000, 0.0115569000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0180871800000000, 0.0000000000000000 ] - [ 0.0426759900000000, 0.0114643500000000, -0.0366093500000000 ] - [ 0.0000000000000000, -0.0263440400000000, 0.0000000000000000 ] - [ -0.0426759900000000, 0.0114643500000000, 0.0366093500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002873200000000, 0.0076997400000000, -0.0011669800000000 ] - [ -0.0000787900000000, -0.0031635100000000, -0.0008861900000000 ] - [ -0.0002873200000000, 0.0076997400000000, 0.0011669800000000 ] - [ 0.0000787900000000, -0.0031635100000000, 0.0008861900000000 ] - [ 0.0048879900000000, -0.0011053200000000, 0.0047161500000000 ] - [ -0.0048879900000000, -0.0011053200000000, -0.0047161500000000 ] - [ 0.0000000000000000, -0.0237525200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020188800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.2376237100000000, 0.0000000000000000 ] - [ 0.0567971800000000, -0.0177219800000000, -0.0526191600000000 ] - [ -0.0567971800000000, -0.0177219800000000, 0.0526191600000000 ] - [ 0.0000000000000000, -0.0269904400000000, 0.0000000000000000 ] - [ 0.0087981600000000, 0.0041098800000000, -0.0097588000000000 ] - [ 0.0004181700000000, 0.0241546000000000, -0.0001625100000000 ] - [ -0.0043175800000000, 0.0032127300000000, 0.0081444900000000 ] - [ 0.0009137800000000, -0.0360230200000000, 0.0122107100000000 ] - [ -0.0050674900000000, -0.0017170000000000, -0.0021949500000000 ] - [ 0.0050674900000000, -0.0017170000000000, 0.0021949500000000 ] - [ -0.0012108300000000, -0.0159279200000000, 0.0014144000000000 ] - [ 0.0071316600000000, -0.0171767700000000, 0.0045799700000000 ] - [ -0.0071316600000000, -0.0171767700000000, -0.0045799700000000 ] - [ 0.0012108300000000, -0.0159279200000000, -0.0014144000000000 ] - [ -0.0101891900000000, -0.0044395500000000, -0.0048955000000000 ] - [ -0.0116814000000000, -0.0449391500000000, -0.0135127100000000 ] - [ 0.0101891900000000, -0.0044395500000000, 0.0048955000000000 ] - [ 0.0024469100000000, 0.0096193100000000, 0.0138814100000000 ] - [ -0.0087981600000000, 0.0041098800000000, 0.0097588000000000 ] - [ -0.0024469100000000, 0.0096193100000000, -0.0138814100000000 ] - [ 0.0003759800000000, 0.0052050300000000, -0.0016201400000000 ] - [ -0.0004181700000000, 0.0241546000000000, 0.0001625100000000 ] - [ -0.0003759800000000, 0.0052050300000000, 0.0016201400000000 ] - [ 0.0008522100000000, 0.0080887900000000, 0.0131693800000000 ] - [ 0.0043175800000000, 0.0032127300000000, -0.0081444900000000 ] - [ -0.0008522100000000, 0.0080887900000000, -0.0131693800000000 ] - [ -0.0009137800000000, -0.0360230200000000, -0.0122107100000000 ] - [ 0.0116814000000000, -0.0449391500000000, 0.0135127100000000 ] - [ 0.0194364700000000, -0.0041559700000000, 0.0161978300000000 ] - [ 0.0000000000000000, 0.0058145700000000, 0.0000000000000000 ] - [ -0.0194364700000000, -0.0041559700000000, -0.0161978300000000 ] - [ 0.0000000000000000, -0.0113613200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0180521900000000, 0.0000000000000000 ] - [ -0.0426681400000000, -0.0115125000000000, 0.0365331400000000 ] - [ 0.0000000000000000, 0.0262845500000000, 0.0000000000000000 ] - [ 0.0426681400000000, -0.0115125000000000, -0.0365331400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0045967300000000, -0.0012295600000000, 0.0049876200000000 ] - [ -0.0029921500000000, -0.0012483400000000, -0.0068190200000000 ] - [ -0.0046057600000000, 0.0012077200000000, 0.0049791000000000 ] - [ -0.0029880100000000, 0.0012691200000000, -0.0068344500000000 ] - [ 0.0051086200000000, -0.0045250700000000, 0.0055393900000000 ] - [ 0.0053565700000000, 0.0044757800000000, 0.0055017600000000 ] - [ 0.0027039900000000, 0.0001507600000000, -0.0145015000000000 ] - [ 0.0005521000000000, -0.0001525000000000, 0.0068710100000000 ] - [ -0.0112577700000000, -0.0000323000000000, -0.2684828200000000 ] - [ -0.0522818800000000, 0.0194692100000000, 0.0493925900000000 ] - [ -0.0527199400000000, -0.0195372000000000, 0.0494357200000000 ] - [ 0.0049999300000000, -0.0001374200000000, 0.0464298400000000 ] - [ 0.0125918100000000, 0.0063614000000000, -0.0190606100000000 ] - [ 0.0095437900000000, 0.0006373100000000, 0.0004180300000000 ] - [ 0.0083597700000000, -0.0058884800000000, -0.0171249000000000 ] - [ -0.0007011000000000, -0.0303626300000000, 0.0345727100000000 ] - [ 0.0027528400000000, 0.0037157500000000, 0.0121205500000000 ] - [ 0.0027562700000000, -0.0037386800000000, 0.0120616100000000 ] - [ 0.0088264100000000, -0.0001739600000000, -0.0113483300000000 ] - [ 0.0081730500000000, -0.0004997400000000, 0.0308662300000000 ] - [ 0.0081759300000000, 0.0006570400000000, 0.0308704700000000 ] - [ 0.0086466900000000, 0.0002100600000000, -0.0112072100000000 ] - [ 0.0074055500000000, 0.0039552700000000, 0.0129122800000000 ] - [ 0.0105468000000000, 0.0297386300000000, 0.0261085000000000 ] - [ 0.0075714100000000, -0.0040100900000000, 0.0135452300000000 ] - [ -0.0057604100000000, -0.0109695800000000, -0.0211037200000000 ] - [ 0.0124416100000000, -0.0063294800000000, -0.0184638300000000 ] - [ -0.0056665400000000, 0.0110254400000000, -0.0210948400000000 ] - [ 0.0005204500000000, 0.0025942200000000, -0.0105825900000000 ] - [ 0.0097145700000000, -0.0006714000000000, 0.0005227000000000 ] - [ 0.0005110200000000, -0.0027534300000000, -0.0106812400000000 ] - [ -0.0038191800000000, -0.0104620800000000, -0.0205911700000000 ] - [ 0.0083324500000000, 0.0059150200000000, -0.0171195900000000 ] - [ -0.0038748900000000, 0.0105707500000000, -0.0211211600000000 ] - [ -0.0013023700000000, 0.0325207700000000, 0.0357141700000000 ] - [ 0.0100012600000000, -0.0320207000000000, 0.0276176600000000 ] - [ 0.0209594800000000, -0.0162077300000000, 0.0216418900000000 ] - [ -0.0024889900000000, -0.0001051400000000, 0.0208685600000000 ] - [ 0.0209920200000000, 0.0164208100000000, 0.0218170400000000 ] - [ -0.0046353900000000, 0.0001089200000000, -0.0240977900000000 ] - [ -0.0026878400000000, 0.0000213900000000, 0.0316428600000000 ] - [ -0.0431362000000000, -0.0135305800000000, 0.0363376300000000 ] - [ 0.0512450100000000, -0.0000318500000000, -0.0589520800000000 ] - [ -0.0432742500000000, 0.0135925600000000, 0.0364116900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005595700000000, -0.0002131800000000, 0.0014015900000000 ] - [ -0.0018084800000000, 0.0001597800000000, -0.0005480700000000 ] - [ -0.0001282700000000, -0.0002798900000000, -0.0010767300000000 ] - [ 0.0040290300000000, -0.0045114700000000, 0.0010912000000000 ] - [ -0.0059103700000000, 0.0006704000000000, -0.0043846000000000 ] - [ 0.0006471300000000, 0.0000588400000000, 0.0005358600000000 ] - [ -0.0008308200000000, 0.0007740000000000, 0.0010072100000000 ] - [ -0.0015755700000000, -0.0008486700000000, -0.0007502800000000 ] - [ -0.0043350200000000, -0.0085860300000000, 0.0125632800000000 ] - [ -0.0078708200000000, 0.0012274000000000, 0.0105407200000000 ] - [ 0.0374402100000000, 0.0109187600000000, -0.0326600100000000 ] - [ -0.0153402800000000, 0.0099973600000000, -0.0075813500000000 ] - [ -0.1011926000000000, -0.0333825100000000, 0.0721763500000000 ] - [ -0.0005667600000000, -0.0092051500000000, -0.0076024900000000 ] - [ -0.0049726300000000, 0.0051564500000000, 0.0050347000000000 ] - [ 0.0024397700000000, 0.0024454600000000, -0.0039498400000000 ] - [ -0.0014493900000000, -0.0002671700000000, -0.0002474500000000 ] - [ -0.0010464900000000, 0.0009764800000000, -0.0028046800000000 ] - [ 0.0018014200000000, -0.0000221500000000, -0.0022060300000000 ] - [ -0.0010212500000000, 0.0012383400000000, -0.0021463800000000 ] - [ 0.0017772500000000, 0.0016440400000000, 0.0002791800000000 ] - [ -0.0009224800000000, 0.0205800100000000, 0.0001818000000000 ] - [ -0.0012708300000000, -0.0011340700000000, -0.0038378600000000 ] - [ 0.0030851400000000, -0.0015907200000000, -0.0053232500000000 ] - [ -0.0091737700000000, 0.0012292100000000, -0.0041864900000000 ] - [ 0.0021199900000000, 0.0003037900000000, 0.0010463700000000 ] - [ 0.0029253000000000, -0.0015466100000000, -0.0192537200000000 ] - [ 0.0254590000000000, -0.0089820300000000, 0.0102391500000000 ] - [ -0.0008999300000000, -0.0015001400000000, 0.0013597400000000 ] - [ 0.0006307900000000, 0.0002830000000000, -0.0021360900000000 ] - [ 0.0236576100000000, 0.0122155500000000, -0.0051765100000000 ] - [ 0.0030375500000000, 0.0004904700000000, 0.0029301900000000 ] - [ 0.0054075000000000, 0.0041479700000000, -0.0087160000000000 ] - [ 0.0017375900000000, -0.0009519700000000, -0.0001245300000000 ] - [ 0.0013247600000000, 0.0009377600000000, -0.0002977400000000 ] - [ 0.0218798000000000, 0.0091105300000000, -0.0185243000000000 ] - [ 0.0017992200000000, -0.0001888400000000, 0.0026184500000000 ] - [ 0.0100060100000000, 0.0063701200000000, -0.0004562800000000 ] - [ -0.0024823600000000, -0.0012458500000000, -0.0056984600000000 ] - [ 0.0032765700000000, 0.0006129400000000, 0.0025038600000000 ] - [ 0.0071232200000000, -0.0129271100000000, 0.0080472900000000 ] - [ -0.0049411500000000, -0.0006198200000000, 0.0065319200000000 ] - [ 0.0014220900000000, -0.0018427800000000, 0.0044973200000000 ] - [ 0.0041527800000000, -0.0017024900000000, -0.0048970500000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005335100000000, 0.0001769000000000, -0.0014163300000000 ] - [ 0.0017715500000000, -0.0001428900000000, 0.0005407300000000 ] - [ 0.0001067800000000, 0.0002507100000000, 0.0010645700000000 ] - [ -0.0040127200000000, 0.0046007000000000, -0.0010759200000000 ] - [ 0.0055608900000000, -0.0006590800000000, 0.0043685800000000 ] - [ -0.0003397100000000, -0.0000581300000000, -0.0005251800000000 ] - [ 0.0008300600000000, -0.0004664800000000, -0.0009991600000000 ] - [ 0.0015841100000000, 0.0005397200000000, 0.0007384100000000 ] - [ 0.0043166600000000, 0.0088589800000000, -0.0124694600000000 ] - [ 0.0081452100000000, -0.0012236600000000, -0.0104970500000000 ] - [ -0.0363354200000000, -0.0101869200000000, 0.0302218500000000 ] - [ 0.0154213200000000, -0.0101866700000000, 0.0073960000000000 ] - [ 0.0995065700000000, 0.0326490000000000, -0.0703026300000000 ] - [ 0.0003653400000000, 0.0091209100000000, 0.0074710900000000 ] - [ 0.0049959500000000, -0.0050446400000000, -0.0049887100000000 ] - [ -0.0024522900000000, -0.0025934100000000, 0.0045251100000000 ] - [ 0.0014747600000000, 0.0002383300000000, 0.0002510200000000 ] - [ 0.0010016100000000, -0.0009917600000000, 0.0027637900000000 ] - [ -0.0016223300000000, 0.0000532400000000, 0.0021141500000000 ] - [ 0.0010114900000000, -0.0010720400000000, 0.0020371100000000 ] - [ -0.0017635400000000, -0.0014729900000000, -0.0002101600000000 ] - [ 0.0006775700000000, -0.0204298600000000, -0.0000617200000000 ] - [ 0.0010982600000000, 0.0010968900000000, 0.0032088200000000 ] - [ -0.0031127800000000, 0.0015309900000000, 0.0052927400000000 ] - [ 0.0092649700000000, -0.0012610800000000, 0.0047920200000000 ] - [ -0.0021610800000000, -0.0002452200000000, -0.0010201200000000 ] - [ -0.0029626400000000, 0.0015841500000000, 0.0198048700000000 ] - [ -0.0249618100000000, 0.0089291300000000, -0.0101066900000000 ] - [ 0.0007908800000000, 0.0013325100000000, -0.0012628500000000 ] - [ -0.0004725800000000, -0.0003078200000000, 0.0021985100000000 ] - [ -0.0237712400000000, -0.0125666900000000, 0.0051887000000000 ] - [ -0.0030218600000000, -0.0003382700000000, -0.0023224500000000 ] - [ -0.0054538200000000, -0.0040466300000000, 0.0086083500000000 ] - [ -0.0017539900000000, 0.0010823800000000, -0.0004315100000000 ] - [ -0.0012936700000000, -0.0010981600000000, -0.0003089000000000 ] - [ -0.0215922800000000, -0.0091008100000000, 0.0184137200000000 ] - [ -0.0015652400000000, 0.0001826000000000, -0.0025872600000000 ] - [ -0.0100510600000000, -0.0065062200000000, 0.0004651400000000 ] - [ 0.0022517800000000, 0.0012418200000000, 0.0056847600000000 ] - [ -0.0032767200000000, -0.0003989200000000, -0.0024740500000000 ] - [ -0.0069977100000000, 0.0128081300000000, -0.0079996200000000 ] - [ 0.0048393000000000, 0.0006196600000000, -0.0064724900000000 ] - [ -0.0014255400000000, 0.0018084000000000, -0.0044581300000000 ] - [ -0.0040814900000000, 0.0016932100000000, 0.0048403500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001625600000000, -0.0002524400000000, 0.0003406600000000 ] - [ 0.0022920600000000, 0.0013184000000000, 0.0029152000000000 ] - [ 0.0001408300000000, -0.0002512600000000, -0.0006087000000000 ] - [ -0.0041519600000000, 0.0041997300000000, -0.0013711200000000 ] - [ 0.0013946900000000, 0.0024517100000000, 0.0007017200000000 ] - [ 0.0001152600000000, 0.0008837900000000, 0.0001927900000000 ] - [ -0.0000371900000000, 0.0005241800000000, 0.0003334600000000 ] - [ -0.0005959700000000, -0.0004174900000000, -0.0010702600000000 ] - [ -0.0016389700000000, -0.0038407200000000, 0.0062722800000000 ] - [ -0.0006407000000000, 0.0026831600000000, 0.0038084000000000 ] - [ -0.0005220200000000, 0.0142351800000000, -0.0011662000000000 ] - [ -0.0027961000000000, 0.0041531300000000, -0.0039106700000000 ] - [ -0.0326319600000000, -0.0962710300000000, 0.0382377600000000 ] - [ -0.0040163400000000, 0.0016462800000000, 0.0043293700000000 ] - [ -0.0029302700000000, 0.0193971900000000, 0.0064157400000000 ] - [ 0.0016578200000000, 0.0023464700000000, -0.0033537400000000 ] - [ -0.0004470600000000, 0.0016233000000000, 0.0004933500000000 ] - [ -0.0006262600000000, 0.0013446400000000, -0.0034009600000000 ] - [ -0.0005932500000000, 0.0017432300000000, 0.0023875800000000 ] - [ 0.0001542100000000, 0.0014426700000000, -0.0015815900000000 ] - [ -0.0000833200000000, 0.0014229700000000, -0.0006280300000000 ] - [ 0.0133956300000000, 0.0286028200000000, -0.0099095800000000 ] - [ -0.0011924800000000, -0.0005287000000000, -0.0024604200000000 ] - [ 0.0009938500000000, -0.0010421900000000, -0.0019694600000000 ] - [ -0.0011389800000000, 0.0010284900000000, -0.0102302700000000 ] - [ -0.0005651400000000, -0.0017384000000000, -0.0011258400000000 ] - [ 0.0014974500000000, -0.0118943500000000, -0.0034506500000000 ] - [ 0.0056114400000000, -0.0074779400000000, 0.0049134900000000 ] - [ -0.0099129700000000, 0.0029554700000000, -0.0063415300000000 ] - [ 0.0002776800000000, -0.0007200900000000, -0.0009956600000000 ] - [ 0.0181633800000000, 0.0051746200000000, -0.0001526300000000 ] - [ 0.0015861600000000, 0.0031256100000000, 0.0032018700000000 ] - [ 0.0031150600000000, 0.0245429700000000, -0.0135423000000000 ] - [ 0.0001501300000000, 0.0013991900000000, -0.0019504700000000 ] - [ -0.0001350700000000, 0.0016471800000000, -0.0001784400000000 ] - [ 0.0077466900000000, 0.0074729600000000, -0.0087532100000000 ] - [ 0.0014269000000000, -0.0035212000000000, 0.0025494800000000 ] - [ 0.0026753200000000, 0.0050237500000000, -0.0062233200000000 ] - [ -0.0018226200000000, -0.0058011400000000, -0.0025414600000000 ] - [ 0.0002802900000000, 0.0023296300000000, 0.0010187000000000 ] - [ 0.0023593800000000, 0.0127219700000000, -0.0014415000000000 ] - [ -0.0052949100000000, -0.0028856400000000, 0.0071239500000000 ] - [ 0.0009834700000000, -0.0054206200000000, 0.0050750100000000 ] - [ 0.0055932600000000, -0.0153774900000000, -0.0019528000000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001425500000000, 0.0002569400000000, -0.0003432000000000 ] - [ -0.0022647700000000, -0.0013067900000000, -0.0028873300000000 ] - [ -0.0001628200000000, 0.0002404200000000, 0.0006298400000000 ] - [ 0.0041014300000000, -0.0041849800000000, 0.0013314000000000 ] - [ -0.0017366100000000, -0.0024355200000000, -0.0007110400000000 ] - [ 0.0001868500000000, -0.0008851200000000, -0.0002036500000000 ] - [ 0.0000430000000000, -0.0002332000000000, -0.0003498300000000 ] - [ 0.0005990200000000, 0.0001296900000000, 0.0010802200000000 ] - [ 0.0016800700000000, 0.0043607000000000, -0.0064157200000000 ] - [ 0.0010073700000000, -0.0026612300000000, -0.0038876700000000 ] - [ 0.0006507000000000, -0.0144760100000000, 0.0008236200000000 ] - [ 0.0028318000000000, -0.0046581000000000, 0.0040510200000000 ] - [ 0.0333985300000000, 0.0971534100000000, -0.0409517400000000 ] - [ 0.0038549900000000, -0.0014870200000000, -0.0044050900000000 ] - [ 0.0030156400000000, -0.0196633500000000, -0.0065607500000000 ] - [ -0.0017040000000000, -0.0025491600000000, 0.0040194600000000 ] - [ 0.0004764800000000, -0.0016708900000000, -0.0005331100000000 ] - [ 0.0005905200000000, -0.0014072400000000, 0.0034527400000000 ] - [ 0.0006897200000000, -0.0017706800000000, -0.0023945600000000 ] - [ -0.0001500000000000, -0.0013290800000000, 0.0015472100000000 ] - [ 0.0000722200000000, -0.0013104800000000, 0.0007020100000000 ] - [ -0.0132425800000000, -0.0283465200000000, 0.0097835500000000 ] - [ 0.0010392500000000, 0.0005017700000000, 0.0018813400000000 ] - [ -0.0010671500000000, 0.0010026600000000, 0.0020283800000000 ] - [ 0.0013481800000000, -0.0011741300000000, 0.0110003700000000 ] - [ 0.0005223100000000, 0.0017929500000000, 0.0011220700000000 ] - [ -0.0016325200000000, 0.0119840600000000, 0.0039534700000000 ] - [ -0.0057983300000000, 0.0076260200000000, -0.0050346400000000 ] - [ 0.0100660700000000, -0.0030992600000000, 0.0064984100000000 ] - [ -0.0001309000000000, 0.0007211900000000, 0.0011004800000000 ] - [ -0.0184111900000000, -0.0052909100000000, 0.0000307100000000 ] - [ -0.0015496400000000, -0.0029403300000000, -0.0025982900000000 ] - [ -0.0032215600000000, -0.0246960800000000, 0.0137524600000000 ] - [ -0.0001778300000000, -0.0012234300000000, 0.0013387700000000 ] - [ 0.0001899200000000, -0.0018476000000000, -0.0004918200000000 ] - [ -0.0079699200000000, -0.0075754000000000, 0.0090194400000000 ] - [ -0.0012572100000000, 0.0035185000000000, -0.0026269800000000 ] - [ -0.0028888100000000, -0.0040716500000000, 0.0069275000000000 ] - [ 0.0016532300000000, 0.0057854000000000, 0.0026205000000000 ] - [ -0.0003053400000000, -0.0021725900000000, -0.0010935100000000 ] - [ -0.0028786300000000, -0.0142364300000000, 0.0030726900000000 ] - [ 0.0053848700000000, 0.0028762900000000, -0.0072758800000000 ] - [ -0.0010045700000000, 0.0055210200000000, -0.0051594700000000 ] - [ -0.0057052100000000, 0.0152321500000000, 0.0021566300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001940800000000, 0.0015043400000000, 0.0000276900000000 ] - [ 0.0019117200000000, 0.0010404300000000, 0.0012413600000000 ] - [ -0.0004205500000000, 0.0007567300000000, 0.0026893800000000 ] - [ -0.0019888100000000, -0.0002224300000000, -0.0032359100000000 ] - [ -0.0017046200000000, -0.0000783300000000, 0.0020517700000000 ] - [ -0.0007424800000000, -0.0003373200000000, -0.0022765300000000 ] - [ 0.0009219100000000, -0.0005326100000000, -0.0019742200000000 ] - [ 0.0002188500000000, -0.0001073700000000, 0.0016276700000000 ] - [ 0.0054633900000000, 0.0096165600000000, -0.0187565300000000 ] - [ 0.0130892900000000, -0.0031888100000000, -0.0208706000000000 ] - [ -0.0119222600000000, -0.0047590800000000, 0.0342990400000000 ] - [ -0.0004631100000000, -0.0047969800000000, 0.0132829900000000 ] - [ 0.0704400700000000, 0.0397664600000000, -0.1387331900000000 ] - [ -0.0062887500000000, 0.0163909600000000, 0.0093563600000000 ] - [ 0.0042207200000000, -0.0063273300000000, -0.0106538400000000 ] - [ -0.0036904000000000, -0.0043141000000000, 0.0079931200000000 ] - [ 0.0011856900000000, 0.0001990400000000, 0.0001195000000000 ] - [ 0.0018782800000000, -0.0029330500000000, 0.0074198600000000 ] - [ -0.0024106300000000, 0.0004827900000000, 0.0031775900000000 ] - [ -0.0004005900000000, -0.0024370600000000, 0.0045258500000000 ] - [ 0.0001314000000000, -0.0021969000000000, 0.0013020700000000 ] - [ -0.0019730800000000, -0.0179007900000000, -0.0080896400000000 ] - [ 0.0034370100000000, 0.0021563800000000, 0.0077998200000000 ] - [ -0.0061314600000000, 0.0031559700000000, 0.0098639500000000 ] - [ 0.0045371800000000, -0.0105667500000000, 0.0249619900000000 ] - [ -0.0013316300000000, -0.0002568800000000, -0.0006597400000000 ] - [ -0.0197616900000000, 0.0037624500000000, 0.0407508600000000 ] - [ -0.0103381300000000, 0.0062985100000000, -0.0138461900000000 ] - [ 0.0135923400000000, -0.0064650000000000, 0.0047132100000000 ] - [ -0.0004751000000000, -0.0007436200000000, 0.0048310700000000 ] - [ -0.0111100000000000, -0.0032872400000000, -0.0062940300000000 ] - [ -0.0028786100000000, -0.0025421400000000, -0.0051114500000000 ] - [ -0.0054370400000000, -0.0098655700000000, 0.0179071900000000 ] - [ -0.0001662600000000, 0.0000910000000000, 0.0001120000000000 ] - [ -0.0016274800000000, -0.0002387700000000, 0.0001321700000000 ] - [ -0.0217448700000000, -0.0118011600000000, 0.0252550300000000 ] - [ -0.0023492000000000, 0.0014140700000000, -0.0071397400000000 ] - [ -0.0037556100000000, 0.0004933600000000, 0.0164410400000000 ] - [ 0.0010462700000000, 0.0008564100000000, 0.0063506800000000 ] - [ -0.0038426200000000, -0.0036940600000000, -0.0096917000000000 ] - [ -0.0009429300000000, 0.0022634200000000, 0.0159464500000000 ] - [ 0.0081346700000000, 0.0015588600000000, -0.0129042200000000 ] - [ -0.0031873200000000, 0.0097314400000000, -0.0138920100000000 ] - [ -0.0033176600000000, -0.0019458300000000, 0.0099498700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001743900000000, -0.0015278600000000, -0.0000137200000000 ] - [ -0.0019441800000000, -0.0010230500000000, -0.0012582200000000 ] - [ 0.0004010000000000, -0.0007826700000000, -0.0026998100000000 ] - [ 0.0020423300000000, 0.0001928100000000, 0.0032386900000000 ] - [ 0.0013311200000000, 0.0000834300000000, -0.0021141500000000 ] - [ 0.0010450600000000, 0.0003356200000000, 0.0022846200000000 ] - [ -0.0009261900000000, 0.0008405300000000, 0.0019711700000000 ] - [ -0.0002182600000000, -0.0001918800000000, -0.0016162500000000 ] - [ -0.0054847100000000, -0.0093184400000000, 0.0187666800000000 ] - [ -0.0126648600000000, 0.0031615300000000, 0.0208494700000000 ] - [ 0.0140472000000000, 0.0054776100000000, -0.0359786400000000 ] - [ 0.0004270400000000, 0.0043991200000000, -0.0131725000000000 ] - [ -0.0720510400000000, -0.0394398900000000, 0.1386671700000000 ] - [ 0.0062374100000000, -0.0166293900000000, -0.0095282600000000 ] - [ -0.0041967300000000, 0.0064116300000000, 0.0106508400000000 ] - [ 0.0036807700000000, 0.0041619100000000, -0.0074129300000000 ] - [ -0.0011475700000000, -0.0002275200000000, -0.0000897600000000 ] - [ -0.0019313700000000, 0.0029114000000000, -0.0074536300000000 ] - [ 0.0025788400000000, -0.0004283100000000, -0.0032754000000000 ] - [ 0.0004159600000000, 0.0025993200000000, -0.0046209100000000 ] - [ -0.0001523800000000, 0.0023548800000000, -0.0012078400000000 ] - [ 0.0017624000000000, 0.0178509900000000, 0.0083292100000000 ] - [ -0.0036121200000000, -0.0021842100000000, -0.0084236400000000 ] - [ 0.0060630600000000, -0.0032010400000000, -0.0098508100000000 ] - [ -0.0044414900000000, 0.0106687200000000, -0.0246359400000000 ] - [ 0.0012554700000000, 0.0002904400000000, 0.0006174900000000 ] - [ 0.0192974900000000, -0.0036420400000000, -0.0395075200000000 ] - [ 0.0102871900000000, -0.0062213500000000, 0.0138928800000000 ] - [ -0.0134898200000000, 0.0062504900000000, -0.0046044900000000 ] - [ 0.0006129200000000, 0.0007003400000000, -0.0047530600000000 ] - [ 0.0111450600000000, 0.0031939500000000, 0.0061367500000000 ] - [ 0.0029160800000000, 0.0027124500000000, 0.0057360100000000 ] - [ 0.0053986100000000, 0.0098926000000000, -0.0178404100000000 ] - [ 0.0001466400000000, 0.0000826200000000, -0.0007454100000000 ] - [ 0.0016609400000000, 0.0000702100000000, -0.0007237200000000 ] - [ 0.0219117100000000, 0.0117970700000000, -0.0254897900000000 ] - [ 0.0025577700000000, -0.0014112700000000, 0.0071682600000000 ] - [ 0.0036255200000000, -0.0001052200000000, -0.0161259600000000 ] - [ -0.0012734500000000, -0.0008548400000000, -0.0064104700000000 ] - [ 0.0038627900000000, 0.0039166100000000, 0.0096808000000000 ] - [ 0.0005913700000000, -0.0038219100000000, -0.0152347900000000 ] - [ -0.0081522700000000, -0.0015531700000000, 0.0129499300000000 ] - [ 0.0032071100000000, -0.0098195400000000, 0.0139167800000000 ] - [ 0.0033519800000000, 0.0020273300000000, -0.0100687200000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0043372700000000, 0.0003360200000000, -0.0010519700000000 ] - [ -0.0003681500000000, 0.0000558300000000, 0.0002433300000000 ] - [ -0.0025699000000000, 0.0002319400000000, 0.0000774700000000 ] - [ 0.0007524000000000, 0.0000682800000000, 0.0000962800000000 ] - [ -0.0021895600000000, 0.0001003600000000, 0.0001469700000000 ] - [ 0.0005624600000000, 0.0000551900000000, -0.0001473300000000 ] - [ -0.0016854000000000, 0.0000935500000000, 0.0031216700000000 ] - [ -0.0002469300000000, -0.0002420800000000, -0.0004944700000000 ] - [ -0.0030031000000000, -0.0002841800000000, 0.0096170200000000 ] - [ -0.0051044700000000, 0.0019932200000000, -0.0026477100000000 ] - [ 0.0169832200000000, -0.0021693700000000, 0.0004767300000000 ] - [ -0.0026304600000000, 0.0011266600000000, -0.0087258900000000 ] - [ -0.0003547400000000, -0.0038933200000000, -0.0065690000000000 ] - [ -0.0542680000000000, -0.0050489700000000, -0.0127720400000000 ] - [ 0.0005783100000000, 0.0029393800000000, -0.0047124300000000 ] - [ 0.0013566300000000, 0.0014759700000000, -0.0019759900000000 ] - [ 0.0038943200000000, 0.0182699200000000, 0.0038176500000000 ] - [ 0.0008706300000000, 0.0001526200000000, 0.0022194700000000 ] - [ 0.0009192700000000, -0.0001817400000000, 0.0004967600000000 ] - [ -0.0029589300000000, 0.0000893800000000, -0.0002979900000000 ] - [ 0.0041947000000000, 0.0001837500000000, -0.0003253900000000 ] - [ 0.0025819800000000, 0.0023952500000000, 0.0022634900000000 ] - [ 0.0016248500000000, -0.0006455700000000, 0.0021825300000000 ] - [ 0.0018385700000000, -0.0016451200000000, -0.0025179000000000 ] - [ -0.0006784200000000, -0.0132932200000000, 0.0021940700000000 ] - [ 0.0021101100000000, 0.0011959300000000, 0.0032211500000000 ] - [ 0.0004741900000000, -0.0001909200000000, -0.0002500500000000 ] - [ 0.0025445400000000, 0.0010841900000000, 0.0085067900000000 ] - [ -0.0015659900000000, -0.0001522100000000, 0.0005115100000000 ] - [ 0.0049841100000000, 0.0000932000000000, 0.0051899900000000 ] - [ 0.0024582300000000, -0.0000893100000000, -0.0000026700000000 ] - [ 0.0030353700000000, -0.0013569400000000, 0.0066857300000000 ] - [ 0.0001994900000000, 0.0002122400000000, -0.0004160200000000 ] - [ 0.0013733400000000, -0.0010720300000000, 0.0022109700000000 ] - [ 0.0052479000000000, -0.0125456900000000, -0.0035474900000000 ] - [ 0.0031662900000000, 0.0126675700000000, -0.0040349000000000 ] - [ 0.0017510800000000, -0.0001756400000000, -0.0005485800000000 ] - [ 0.0008250800000000, 0.0001541500000000, -0.0007127500000000 ] - [ -0.0075056800000000, -0.0007506900000000, 0.0007240800000000 ] - [ 0.0070529300000000, -0.0002410400000000, 0.0003228400000000 ] - [ -0.0006543700000000, -0.0004651700000000, 0.0029001600000000 ] - [ -0.0042023000000000, -0.0015310800000000, -0.0016500400000000 ] - [ -0.0013235500000000, -0.0007762400000000, -0.0045836700000000 ] - [ 0.0155926900000000, 0.0017759200000000, 0.0007576100000000 ]- atom: 14 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0043407900000000, -0.0003715800000000, 0.0010582700000000 ] - [ 0.0003412700000000, -0.0000339600000000, -0.0002530900000000 ] - [ 0.0025685100000000, -0.0002655800000000, -0.0000984200000000 ] - [ -0.0007247000000000, -0.0000484300000000, -0.0000895500000000 ] - [ 0.0018885600000000, -0.0001176700000000, -0.0001616600000000 ] - [ -0.0002617800000000, -0.0000589000000000, 0.0001552800000000 ] - [ 0.0017361800000000, 0.0002114100000000, -0.0031538700000000 ] - [ 0.0002550600000000, -0.0000614800000000, 0.0005056100000000 ] - [ 0.0030089000000000, 0.0006360700000000, -0.0096438500000000 ] - [ 0.0054477500000000, -0.0020159800000000, 0.0026996300000000 ] - [ -0.0173548000000000, 0.0016962000000000, -0.0006788500000000 ] - [ 0.0026413200000000, -0.0014490000000000, 0.0087511700000000 ] - [ 0.0005722500000000, 0.0039821500000000, 0.0059613800000000 ] - [ 0.0543586900000000, 0.0052718400000000, 0.0135372800000000 ] - [ -0.0005155800000000, -0.0029755200000000, 0.0047341200000000 ] - [ -0.0013851300000000, -0.0016382600000000, 0.0025733600000000 ] - [ -0.0037970800000000, -0.0184523600000000, -0.0038195500000000 ] - [ -0.0009083800000000, -0.0001912100000000, -0.0022331100000000 ] - [ -0.0007584800000000, 0.0002030700000000, -0.0005944200000000 ] - [ 0.0029617700000000, 0.0000668500000000, 0.0002140700000000 ] - [ -0.0041889000000000, -0.0000240000000000, 0.0004213800000000 ] - [ -0.0027017600000000, -0.0024458200000000, -0.0022855300000000 ] - [ -0.0017999600000000, 0.0006333100000000, -0.0028033700000000 ] - [ -0.0018901800000000, 0.0015986200000000, 0.0025206000000000 ] - [ 0.0009164300000000, 0.0133394700000000, -0.0015474400000000 ] - [ -0.0021662200000000, -0.0011554100000000, -0.0032369500000000 ] - [ -0.0006286400000000, 0.0002222000000000, 0.0008336300000000 ] - [ -0.0025134100000000, -0.0009791000000000, -0.0084530300000000 ] - [ 0.0015584500000000, -0.0000015700000000, -0.0004347700000000 ] - [ -0.0048828800000000, -0.0001161500000000, -0.0051698800000000 ] - [ -0.0024502900000000, -0.0000668000000000, -0.0000773700000000 ] - [ -0.0030185200000000, 0.0014705000000000, -0.0060379400000000 ] - [ -0.0002276800000000, -0.0001805900000000, 0.0004028700000000 ] - [ -0.0014069500000000, 0.0012344300000000, -0.0028220400000000 ] - [ -0.0052157100000000, 0.0122408500000000, 0.0029411700000000 ] - [ -0.0031661100000000, -0.0126422100000000, 0.0040652700000000 ] - [ -0.0015480700000000, 0.0001881200000000, 0.0005730300000000 ] - [ -0.0008618000000000, -0.0003576000000000, 0.0007677500000000 ] - [ 0.0073061500000000, 0.0008121400000000, -0.0007704100000000 ] - [ -0.0073874000000000, 0.0004710000000000, -0.0008099200000000 ] - [ 0.0006402900000000, 0.0004679400000000, -0.0028605700000000 ] - [ 0.0041898200000000, 0.0015521500000000, 0.0016834900000000 ] - [ 0.0013137400000000, 0.0007666200000000, 0.0045373700000000 ] - [ -0.0156039000000000, -0.0014157500000000, -0.0009011400000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000470400000000, -0.0020609300000000, 0.0002965900000000 ] - [ 0.0000575900000000, 0.0003230900000000, 0.0003611600000000 ] - [ 0.0000149300000000, -0.0008374200000000, 0.0004096400000000 ] - [ -0.0001366100000000, 0.0019115000000000, -0.0004867300000000 ] - [ -0.0002890600000000, 0.0001833100000000, -0.0002378800000000 ] - [ 0.0001741000000000, 0.0000493900000000, -0.0000246700000000 ] - [ -0.0001123400000000, 0.0033206900000000, 0.0002342800000000 ] - [ -0.0002489100000000, -0.0014105400000000, -0.0002191200000000 ] - [ -0.0014706400000000, -0.0239555000000000, 0.0007365300000000 ] - [ -0.0002295300000000, 0.0000465300000000, -0.0005444500000000 ] - [ 0.0067484500000000, 0.0335217300000000, 0.0096861000000000 ] - [ -0.0008311800000000, 0.0157263000000000, 0.0001559500000000 ] - [ -0.0091234400000000, 0.0015150000000000, 0.0162277700000000 ] - [ -0.0053515600000000, -0.2107143500000000, -0.0197502300000000 ] - [ 0.0082073000000000, 0.0032000500000000, -0.0139432600000000 ] - [ -0.0000805100000000, 0.0017082500000000, 0.0004253300000000 ] - [ 0.0232312900000000, 0.0315806300000000, 0.0154241500000000 ] - [ 0.0002696200000000, 0.0013511500000000, 0.0005178000000000 ] - [ -0.0001197600000000, 0.0004640600000000, 0.0003195200000000 ] - [ -0.0001887400000000, 0.0025279200000000, 0.0004146300000000 ] - [ 0.0009392000000000, 0.0042612400000000, 0.0012470900000000 ] - [ -0.0025406200000000, 0.0767327600000000, 0.0024284500000000 ] - [ -0.0001181000000000, 0.0016942700000000, -0.0007638300000000 ] - [ 0.0002618600000000, 0.0019874100000000, -0.0006201700000000 ] - [ -0.0206143900000000, 0.0285433200000000, -0.0177221100000000 ] - [ 0.0003477200000000, -0.0012478700000000, 0.0006178200000000 ] - [ -0.0003861700000000, -0.0007049300000000, 0.0010413400000000 ] - [ 0.0108663900000000, -0.0028661300000000, 0.0155553500000000 ] - [ 0.0000030900000000, -0.0016329600000000, -0.0002056600000000 ] - [ 0.0000148600000000, -0.0000907500000000, 0.0000447500000000 ] - [ 0.0001874800000000, -0.0030269100000000, -0.0009024000000000 ] - [ -0.0099029400000000, -0.0007217900000000, -0.0131719500000000 ] - [ 0.0001205000000000, -0.0003116900000000, -0.0003880400000000 ] - [ -0.0001522000000000, -0.0009372400000000, -0.0006916800000000 ] - [ -0.0181206400000000, 0.0235660900000000, 0.0107192800000000 ] - [ 0.0190983600000000, 0.0243131800000000, -0.0152681700000000 ] - [ 0.0000955000000000, -0.0002613100000000, -0.0006725700000000 ] - [ 0.0009847500000000, -0.0044792800000000, -0.0007689000000000 ] - [ -0.0004353900000000, 0.0002743400000000, 0.0018168700000000 ] - [ -0.0005603600000000, 0.0153779300000000, -0.0003053400000000 ] - [ 0.0004590600000000, 0.0132899500000000, 0.0005882000000000 ] - [ 0.0001640300000000, -0.0000990000000000, -0.0001386900000000 ] - [ 0.0004175200000000, -0.0222517300000000, -0.0008823500000000 ] - [ -0.0016975400000000, -0.0098597600000000, 0.0084396200000000 ]- atom: 14 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000125000000000, 0.0020752000000000, -0.0003367800000000 ] - [ -0.0000732800000000, -0.0002949300000000, -0.0003461000000000 ] - [ -0.0000563600000000, 0.0008472500000000, -0.0002693700000000 ] - [ 0.0001597900000000, -0.0018903000000000, 0.0004869900000000 ] - [ -0.0000204400000000, -0.0001454500000000, 0.0002512100000000 ] - [ 0.0001358100000000, -0.0000292100000000, 0.0000077700000000 ] - [ 0.0002361900000000, -0.0029968300000000, -0.0003371200000000 ] - [ 0.0002447000000000, 0.0011121600000000, 0.0002078100000000 ] - [ 0.0014568800000000, 0.0243384000000000, -0.0005697700000000 ] - [ 0.0005529800000000, 0.0000310800000000, 0.0004873100000000 ] - [ -0.0065401100000000, -0.0278902600000000, -0.0067124200000000 ] - [ 0.0008260000000000, -0.0161239700000000, -0.0002335100000000 ] - [ 0.0092031000000000, -0.0016141600000000, -0.0167963100000000 ] - [ 0.0049788400000000, 0.2087072400000000, 0.0157189200000000 ] - [ -0.0083034800000000, -0.0030578400000000, 0.0140714800000000 ] - [ 0.0000820600000000, -0.0018332300000000, 0.0001416100000000 ] - [ -0.0236756500000000, -0.0318628600000000, -0.0157521900000000 ] - [ -0.0003261300000000, -0.0013136000000000, -0.0005475000000000 ] - [ 0.0002648000000000, -0.0004478500000000, -0.0003595200000000 ] - [ 0.0001823600000000, -0.0023824900000000, -0.0005198600000000 ] - [ -0.0009523300000000, -0.0041241200000000, -0.0012057700000000 ] - [ 0.0023064200000000, -0.0766164900000000, -0.0022973100000000 ] - [ -0.0000482000000000, -0.0018140700000000, 0.0001405500000000 ] - [ -0.0002920800000000, -0.0020842800000000, 0.0005801000000000 ] - [ 0.0203970000000000, -0.0284026500000000, 0.0180352600000000 ] - [ -0.0003725700000000, 0.0013099800000000, -0.0005820900000000 ] - [ 0.0001976000000000, 0.0007356100000000, -0.0003933200000000 ] - [ -0.0107082000000000, 0.0028161500000000, -0.0154740500000000 ] - [ -0.0000014400000000, 0.0014969900000000, 0.0003009800000000 ] - [ 0.0002232300000000, 0.0000709300000000, 0.0001740500000000 ] - [ -0.0001894500000000, 0.0028983300000000, 0.0008311300000000 ] - [ 0.0100766400000000, 0.0009721500000000, 0.0139183700000000 ] - [ -0.0001924600000000, 0.0003512500000000, 0.0004352900000000 ] - [ 0.0001586900000000, 0.0010957700000000, 0.0001246000000000 ] - [ 0.0184547900000000, -0.0238638200000000, -0.0115450400000000 ] - [ -0.0187899700000000, -0.0242877100000000, 0.0150565300000000 ] - [ 0.0001239600000000, 0.0001900900000000, 0.0006120500000000 ] - [ -0.0009686600000000, 0.0042975000000000, 0.0007272900000000 ] - [ 0.0002093300000000, -0.0003980700000000, -0.0017701400000000 ] - [ 0.0000970700000000, -0.0151552500000000, -0.0002138700000000 ] - [ -0.0004709400000000, -0.0133332500000000, -0.0006228200000000 ] - [ -0.0001945000000000, 0.0000372700000000, 0.0000975300000000 ] - [ -0.0003935400000000, 0.0222880000000000, 0.0010670500000000 ] - [ 0.0019890500000000, 0.0062913600000000, -0.0065890000000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0023015100000000, 0.0010013800000000, -0.0033994100000000 ] - [ 0.0004327700000000, 0.0007134700000000, 0.0018528500000000 ] - [ -0.0012169600000000, 0.0013462700000000, 0.0085903800000000 ] - [ -0.0002364400000000, 0.0004763000000000, -0.0007949000000000 ] - [ -0.0003370000000000, 0.0002163300000000, 0.0018599700000000 ] - [ 0.0003366100000000, 0.0007406300000000, -0.0017336900000000 ] - [ 0.0047393000000000, 0.0007388600000000, -0.0014448100000000 ] - [ -0.0006020400000000, -0.0002667600000000, -0.0010268200000000 ] - [ 0.0003558400000000, 0.0002543200000000, 0.0004112700000000 ] - [ -0.0014800200000000, 0.0028501500000000, -0.0106229100000000 ] - [ 0.0043352000000000, 0.0356428400000000, 0.0307494800000000 ] - [ -0.0025197200000000, 0.0013046100000000, -0.0112543300000000 ] - [ -0.0074940200000000, 0.0044273800000000, 0.0091672400000000 ] - [ -0.0130112700000000, -0.0178102200000000, -0.0693827200000000 ] - [ -0.0064013900000000, -0.0023098200000000, 0.0053713500000000 ] - [ -0.0006751600000000, 0.0001507100000000, 0.0015667600000000 ] - [ 0.0025249000000000, 0.0106824100000000, -0.0076679300000000 ] - [ 0.0014772400000000, 0.0014735400000000, 0.0026439600000000 ] - [ -0.0004665900000000, -0.0003286600000000, 0.0029888800000000 ] - [ -0.0008656000000000, 0.0000397400000000, 0.0002925300000000 ] - [ 0.0012291800000000, -0.0002922200000000, -0.0003606900000000 ] - [ -0.0023448600000000, 0.0023156600000000, 0.0103206700000000 ] - [ 0.0020722900000000, -0.0023742700000000, 0.0029218600000000 ] - [ -0.0009536300000000, -0.0003945100000000, 0.0013336400000000 ] - [ -0.0000234000000000, -0.0098737600000000, -0.0078493700000000 ] - [ 0.0026039100000000, 0.0019952200000000, 0.0051661300000000 ] - [ -0.0022509800000000, 0.0010577700000000, 0.0050892000000000 ] - [ 0.0066875800000000, 0.0006622800000000, 0.0070554900000000 ] - [ 0.0002497400000000, -0.0005512400000000, 0.0028463200000000 ] - [ 0.0052325300000000, 0.0000506900000000, 0.0097640000000000 ] - [ -0.0004636300000000, -0.0003363100000000, 0.0002791700000000 ] - [ 0.0064493200000000, -0.0012506400000000, 0.0049671300000000 ] - [ -0.0014774300000000, -0.0012837700000000, 0.0044365800000000 ] - [ 0.0015548000000000, -0.0020129800000000, 0.0042699200000000 ] - [ -0.0001088100000000, 0.0051338500000000, -0.0064901700000000 ] - [ 0.0013187000000000, -0.0055066300000000, -0.0072866700000000 ] - [ 0.0006270600000000, -0.0028052500000000, -0.0065109400000000 ] - [ 0.0024581300000000, -0.0005170700000000, -0.0045261500000000 ] - [ -0.0006704300000000, -0.0005136500000000, 0.0071416900000000 ] - [ -0.0063773500000000, 0.0001571600000000, 0.0008800800000000 ] - [ 0.0019719600000000, 0.0011954800000000, -0.0091820700000000 ] - [ -0.0008803400000000, -0.0023289700000000, -0.0074373600000000 ] - [ -0.0005498500000000, 0.0000966200000000, -0.0008963500000000 ] - [ 0.0024483300000000, -0.0239669000000000, 0.0259007200000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023143500000000, -0.0010315000000000, 0.0034451900000000 ] - [ -0.0004530300000000, -0.0007002600000000, -0.0018626700000000 ] - [ 0.0012233000000000, -0.0013814600000000, -0.0087471500000000 ] - [ 0.0002557700000000, -0.0004555400000000, 0.0007907400000000 ] - [ 0.0000344300000000, -0.0002180200000000, -0.0018620400000000 ] - [ -0.0000337400000000, -0.0007532800000000, 0.0017450700000000 ] - [ -0.0047264500000000, -0.0004342800000000, 0.0013819500000000 ] - [ 0.0006057600000000, -0.0000389900000000, 0.0010317500000000 ] - [ -0.0003401700000000, 0.0000829700000000, -0.0005288500000000 ] - [ 0.0018453000000000, -0.0028854300000000, 0.0106471900000000 ] - [ -0.0046505600000000, -0.0348536800000000, -0.0309838800000000 ] - [ 0.0025370900000000, -0.0016230200000000, 0.0113000600000000 ] - [ 0.0075784600000000, -0.0043055500000000, -0.0097218400000000 ] - [ 0.0133121600000000, 0.0176321000000000, 0.0699312300000000 ] - [ 0.0063945900000000, 0.0022827000000000, -0.0053509900000000 ] - [ 0.0006532700000000, -0.0003368000000000, -0.0009433600000000 ] - [ -0.0024140400000000, -0.0106198500000000, 0.0077911300000000 ] - [ -0.0015278700000000, -0.0015502800000000, -0.0026437200000000 ] - [ 0.0006162200000000, 0.0003553100000000, -0.0030674000000000 ] - [ 0.0008683100000000, 0.0001074100000000, -0.0003487700000000 ] - [ -0.0012238700000000, 0.0004472200000000, 0.0004484800000000 ] - [ 0.0022119300000000, -0.0024088400000000, -0.0102326200000000 ] - [ -0.0022411200000000, 0.0024037500000000, -0.0035348600000000 ] - [ 0.0008935900000000, 0.0003741900000000, -0.0013070300000000 ] - [ 0.0002157300000000, 0.0098185500000000, 0.0085677400000000 ] - [ -0.0026589500000000, -0.0019524800000000, -0.0051824600000000 ] - [ 0.0020885200000000, -0.0010317500000000, -0.0044941100000000 ] - [ -0.0065675900000000, -0.0005663100000000, -0.0070207800000000 ] - [ -0.0002526300000000, 0.0004018500000000, -0.0027853300000000 ] - [ -0.0051338900000000, -0.0000806300000000, -0.0097865500000000 ] - [ 0.0004691200000000, 0.0001829000000000, -0.0003641700000000 ] - [ -0.0063868900000000, 0.0013717800000000, -0.0043516200000000 ] - [ 0.0014322900000000, 0.0013189000000000, -0.0044392600000000 ] - [ -0.0015765500000000, 0.0021690800000000, -0.0048814800000000 ] - [ 0.0000787700000000, -0.0052274600000000, 0.0059373700000000 ] - [ -0.0013108700000000, 0.0053919800000000, 0.0073568700000000 ] - [ -0.0004273700000000, 0.0028539700000000, 0.0065486800000000 ] - [ -0.0024725500000000, 0.0003080100000000, 0.0045611000000000 ] - [ 0.0004716300000000, 0.0005281700000000, -0.0071368700000000 ] - [ 0.0059108100000000, 0.0000955500000000, -0.0014019300000000 ] - [ -0.0019791300000000, -0.0011809400000000, 0.0092138300000000 ] - [ 0.0008810000000000, 0.0023551400000000, 0.0074507500000000 ] - [ 0.0005383000000000, -0.0001255600000000, 0.0007897100000000 ] - [ -0.0024247300000000, 0.0232803700000000, -0.0259590700000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001245100000000, -0.0015663100000000, 0.0021366300000000 ] - [ -0.0011536500000000, -0.0003013300000000, -0.0001638300000000 ] - [ -0.0001101500000000, -0.0001786100000000, -0.0007399300000000 ] - [ 0.0034179400000000, 0.0044967200000000, -0.0001390100000000 ] - [ -0.0006501200000000, 0.0002712700000000, -0.0012011400000000 ] - [ 0.0003555800000000, -0.0000074300000000, 0.0003751800000000 ] - [ -0.0008548400000000, -0.0000751500000000, 0.0005935700000000 ] - [ -0.0015302600000000, 0.0001750300000000, -0.0003455900000000 ] - [ -0.0034501800000000, 0.0045475700000000, 0.0084278200000000 ] - [ -0.0030848700000000, 0.0009218000000000, 0.0059686500000000 ] - [ 0.0015764000000000, 0.0026782500000000, -0.0037854500000000 ] - [ -0.0182694100000000, -0.0052905400000000, -0.0028612700000000 ] - [ -0.0049239100000000, -0.0030207100000000, 0.0039386200000000 ] - [ 0.0004539300000000, 0.0083173600000000, -0.0064573100000000 ] - [ -0.0910664200000000, 0.0336886600000000, 0.0483305600000000 ] - [ 0.0013912600000000, 0.0009060100000000, -0.0026475200000000 ] - [ -0.0100499900000000, -0.0008891600000000, -0.0036379800000000 ] - [ -0.0008559400000000, 0.0009096000000000, -0.0028222400000000 ] - [ 0.0009793200000000, 0.0003022200000000, -0.0015372100000000 ] - [ -0.0003439000000000, -0.0001244000000000, -0.0013462300000000 ] - [ 0.0013446000000000, 0.0002301700000000, 0.0015201400000000 ] - [ 0.0037310600000000, -0.0235804000000000, -0.0024201600000000 ] - [ -0.0011179400000000, -0.0006171700000000, -0.0022343700000000 ] - [ 0.0023368400000000, -0.0021072400000000, -0.0033531800000000 ] - [ -0.0013772600000000, 0.0004585500000000, -0.0008598300000000 ] - [ 0.0015691200000000, 0.0008973700000000, 0.0000702900000000 ] - [ 0.0053698100000000, -0.0032374600000000, -0.0052016000000000 ] - [ 0.0035026100000000, -0.0015255000000000, 0.0032006400000000 ] - [ 0.0030685000000000, 0.0028874100000000, 0.0023364500000000 ] - [ 0.0002933000000000, -0.0001636000000000, -0.0014431500000000 ] - [ 0.0315905700000000, -0.0182622800000000, -0.0105931400000000 ] - [ 0.0196717200000000, 0.0052357400000000, 0.0067407800000000 ] - [ -0.0009592300000000, 0.0009017100000000, -0.0116616400000000 ] - [ 0.0016525600000000, 0.0003333000000000, -0.0005000000000000 ] - [ 0.0246944700000000, -0.0042346400000000, -0.0102693200000000 ] - [ 0.0013100000000000, 0.0000282500000000, -0.0012404800000000 ] - [ 0.0016881300000000, -0.0001984700000000, 0.0012515400000000 ] - [ 0.0098662300000000, -0.0061848900000000, 0.0008786300000000 ] - [ -0.0115819400000000, -0.0030331000000000, -0.0125828300000000 ] - [ 0.0032937700000000, -0.0001563100000000, 0.0020069300000000 ] - [ 0.0113838200000000, 0.0069010400000000, 0.0042234300000000 ] - [ -0.0044150900000000, -0.0006369900000000, 0.0056662900000000 ] - [ 0.0017357200000000, 0.0013500800000000, 0.0037865600000000 ] - [ 0.0196423500000000, -0.0010464300000000, -0.0114082900000000 ]- atom: 15 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001595800000000, 0.0015797100000000, -0.0021619000000000 ] - [ 0.0011165600000000, 0.0003182000000000, 0.0001587500000000 ] - [ 0.0000922300000000, 0.0001551400000000, 0.0007220900000000 ] - [ -0.0033945700000000, -0.0045638400000000, 0.0001723500000000 ] - [ 0.0003368400000000, -0.0002688600000000, 0.0011942000000000 ] - [ -0.0000401800000000, 0.0000107400000000, -0.0003627100000000 ] - [ 0.0008540600000000, 0.0003737300000000, -0.0005776700000000 ] - [ 0.0015348600000000, -0.0004716900000000, 0.0003291000000000 ] - [ 0.0034393600000000, -0.0040948400000000, -0.0082662200000000 ] - [ 0.0032987700000000, -0.0009035600000000, -0.0058365800000000 ] - [ -0.0018172500000000, -0.0026733100000000, 0.0036715000000000 ] - [ 0.0183739200000000, 0.0048099700000000, 0.0026494200000000 ] - [ 0.0050390700000000, 0.0029301100000000, -0.0044731300000000 ] - [ -0.0006391400000000, -0.0081963900000000, 0.0063332100000000 ] - [ 0.0901309400000000, -0.0331545500000000, -0.0461872000000000 ] - [ -0.0013734400000000, -0.0010581200000000, 0.0031979200000000 ] - [ 0.0100067700000000, 0.0008542700000000, 0.0037088000000000 ] - [ 0.0007911100000000, -0.0009420500000000, 0.0027771100000000 ] - [ -0.0008032800000000, -0.0002902700000000, 0.0014602800000000 ] - [ 0.0003235000000000, 0.0002665800000000, 0.0012460000000000 ] - [ -0.0013230800000000, -0.0001144600000000, -0.0014944000000000 ] - [ -0.0039586800000000, 0.0233257900000000, 0.0025220100000000 ] - [ 0.0009360800000000, 0.0005850800000000, 0.0015791700000000 ] - [ -0.0023478900000000, 0.0020263000000000, 0.0032972900000000 ] - [ 0.0015442000000000, -0.0004772300000000, 0.0014735400000000 ] - [ -0.0015932200000000, -0.0008190700000000, -0.0000256300000000 ] - [ -0.0054819000000000, 0.0031052700000000, 0.0056244000000000 ] - [ -0.0034763500000000, 0.0015843200000000, -0.0031928800000000 ] - [ -0.0031991400000000, -0.0030248700000000, -0.0022493800000000 ] - [ -0.0001378900000000, 0.0001452600000000, 0.0014754800000000 ] - [ -0.0318432900000000, 0.0184661400000000, 0.0107037700000000 ] - [ -0.0193793900000000, -0.0049735000000000, -0.0060065900000000 ] - [ 0.0010199300000000, -0.0008321700000000, 0.0115261200000000 ] - [ -0.0016563100000000, -0.0001785100000000, -0.0000725800000000 ] - [ -0.0245382300000000, 0.0039641200000000, 0.0094949100000000 ] - [ -0.0012818200000000, -0.0000858200000000, 0.0012494200000000 ] - [ -0.0014455600000000, 0.0001839500000000, -0.0011984800000000 ] - [ -0.0099218700000000, 0.0058490400000000, -0.0008760500000000 ] - [ 0.0107954500000000, 0.0029415200000000, 0.0122386400000000 ] - [ -0.0032905100000000, 0.0003561100000000, -0.0019565300000000 ] - [ -0.0112877800000000, -0.0066554000000000, -0.0041010900000000 ] - [ 0.0043098800000000, 0.0006265200000000, -0.0055902900000000 ] - [ -0.0017518300000000, -0.0013428300000000, -0.0037255700000000 ] - [ -0.0181205300000000, 0.0006634900000000, 0.0095494300000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000932700000000, -0.0014695400000000, 0.0007674300000000 ] - [ 0.0014405900000000, -0.0000765300000000, 0.0007513500000000 ] - [ -0.0004789300000000, 0.0004574400000000, 0.0024916000000000 ] - [ -0.0016028000000000, 0.0016570900000000, -0.0035975300000000 ] - [ -0.0000007500000000, -0.0002660800000000, 0.0014847300000000 ] - [ -0.0003747700000000, -0.0005725200000000, -0.0017217600000000 ] - [ 0.0005705300000000, 0.0006790400000000, -0.0017259300000000 ] - [ 0.0002644200000000, -0.0003068500000000, 0.0014978600000000 ] - [ 0.0034387900000000, -0.0079489700000000, -0.0171408000000000 ] - [ 0.0083197500000000, -0.0034497700000000, -0.0171026000000000 ] - [ -0.0023549300000000, 0.0005627000000000, 0.0120286500000000 ] - [ -0.0006526700000000, 0.0020355800000000, 0.0121583100000000 ] - [ 0.0050889700000000, 0.0064858300000000, -0.0109626600000000 ] - [ -0.0047691700000000, -0.0139260500000000, 0.0053071900000000 ] - [ 0.0467312800000000, -0.0477926500000000, -0.1299160900000000 ] - [ -0.0034486800000000, -0.0028732600000000, 0.0077526100000000 ] - [ 0.0036506800000000, 0.0114924400000000, 0.0327423200000000 ] - [ 0.0027764600000000, -0.0028168900000000, 0.0086788300000000 ] - [ -0.0021508300000000, -0.0005341500000000, 0.0025949400000000 ] - [ -0.0004008000000000, 0.0004805800000000, 0.0043954100000000 ] - [ 0.0005203000000000, 0.0023055700000000, 0.0026982300000000 ] - [ -0.0039392200000000, 0.0156438600000000, -0.0076091600000000 ] - [ 0.0026975500000000, 0.0034016000000000, 0.0071256900000000 ] - [ -0.0048169700000000, 0.0047668100000000, 0.0079149300000000 ] - [ 0.0003422900000000, 0.0004886500000000, 0.0004307600000000 ] - [ 0.0001061400000000, 0.0003519400000000, 0.0006232400000000 ] - [ -0.0087481900000000, 0.0136999600000000, 0.0182342400000000 ] - [ -0.0031130700000000, 0.0031652100000000, -0.0056842600000000 ] - [ 0.0140836700000000, 0.0046801000000000, 0.0054184800000000 ] - [ -0.0003403200000000, 0.0004087600000000, 0.0044815300000000 ] - [ -0.0155207200000000, 0.0036995700000000, -0.0078518000000000 ] - [ -0.0064893800000000, -0.0049399400000000, -0.0103401600000000 ] - [ -0.0117067200000000, -0.0036917700000000, 0.0332765800000000 ] - [ -0.0005344100000000, -0.0001634900000000, -0.0002115200000000 ] - [ -0.0135937800000000, 0.0085711900000000, 0.0175134600000000 ] - [ -0.0003181500000000, -0.0001583900000000, 0.0006558400000000 ] - [ -0.0035415200000000, 0.0023615600000000, -0.0083884000000000 ] - [ -0.0014458500000000, 0.0046772400000000, 0.0116507200000000 ] - [ -0.0052972000000000, 0.0013935200000000, 0.0113905800000000 ] - [ -0.0023535500000000, 0.0037241100000000, -0.0084075100000000 ] - [ 0.0008923000000000, 0.0023476100000000, 0.0236104900000000 ] - [ 0.0099258000000000, 0.0024914600000000, -0.0147870400000000 ] - [ -0.0024673000000000, -0.0098462100000000, -0.0147563900000000 ] - [ -0.0004821400000000, -0.0011963700000000, 0.0225276000000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007421500000000, -0.0001136200000000, 0.0002655200000000 ] - [ 0.0016061100000000, 0.0001896500000000, 0.0019230600000000 ] - [ 0.0047929200000000, 0.0036854900000000, 0.0002642100000000 ] - [ -0.0005206900000000, 0.0003282400000000, -0.0012109500000000 ] - [ 0.0006016200000000, -0.0002659800000000, 0.0007140200000000 ] - [ -0.0002232000000000, -0.0004796200000000, -0.0021343600000000 ] - [ 0.0029318900000000, -0.0014979500000000, 0.0004654600000000 ] - [ 0.0008037500000000, -0.0003189600000000, 0.0003485300000000 ] - [ 0.0055281100000000, 0.0122992600000000, 0.0103671200000000 ] - [ 0.0449001600000000, -0.0118397300000000, -0.0321917600000000 ] - [ -0.0097974200000000, -0.0022750900000000, 0.0110281600000000 ] - [ 0.0021042500000000, 0.0023355100000000, 0.0057347400000000 ] - [ 0.0031952400000000, 0.0010485700000000, -0.0064236800000000 ] - [ 0.0017996300000000, 0.0002725000000000, -0.0009604400000000 ] - [ 0.0023657000000000, -0.0020543000000000, -0.0048066200000000 ] - [ -0.0075601700000000, -0.0091117200000000, 0.0065871800000000 ] - [ 0.0016008800000000, -0.0000677000000000, -0.0001156300000000 ] - [ 0.0034588200000000, -0.0015693700000000, 0.0031336400000000 ] - [ 0.0025977400000000, 0.0108541300000000, -0.0066962500000000 ] - [ 0.0242496400000000, -0.0124928300000000, -0.0054369900000000 ] - [ -0.0029050800000000, 0.0010936000000000, 0.0006363500000000 ] - [ 0.0020706400000000, -0.0003588400000000, -0.0026117800000000 ] - [ 0.0253682800000000, 0.0057255700000000, 0.0100863600000000 ] - [ -0.1117218000000000, 0.0358919200000000, 0.0694053400000000 ] - [ 0.0022280700000000, 0.0005278000000000, 0.0016149300000000 ] - [ -0.0103574600000000, -0.0025404400000000, -0.0049417300000000 ] - [ 0.0218038300000000, -0.0078710500000000, -0.0216156200000000 ] - [ -0.0009288500000000, 0.0016097400000000, -0.0033659900000000 ] - [ 0.0020498400000000, -0.0017052100000000, 0.0004168400000000 ] - [ 0.0032141400000000, -0.0190371200000000, 0.0013781300000000 ] - [ -0.0012868300000000, -0.0012567400000000, -0.0020227200000000 ] - [ -0.0010110300000000, -0.0014863700000000, -0.0028919600000000 ] - [ 0.0012699400000000, -0.0008462700000000, -0.0003258900000000 ] - [ -0.0017763300000000, -0.0001967800000000, -0.0000224800000000 ] - [ 0.0075268800000000, -0.0092646800000000, -0.0121821500000000 ] - [ 0.0058151500000000, 0.0025452500000000, -0.0180810700000000 ] - [ -0.0023548600000000, 0.0028257700000000, -0.0065352200000000 ] - [ -0.0032828800000000, -0.0031644600000000, 0.0044315500000000 ] - [ 0.0020181600000000, 0.0009886500000000, 0.0030120000000000 ] - [ -0.0058619600000000, 0.0032402200000000, -0.0043168300000000 ] - [ -0.0029046300000000, 0.0089080600000000, 0.0104881700000000 ] - [ 0.0058561000000000, 0.0031013500000000, -0.0055046700000000 ] - [ -0.0130960400000000, -0.0089260900000000, -0.0049514100000000 ] - [ -0.0054261000000000, 0.0012696700000000, 0.0070448900000000 ]- atom: 24 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007441900000000, 0.0000960300000000, -0.0002718500000000 ] - [ -0.0016255000000000, -0.0001519700000000, -0.0019274300000000 ] - [ -0.0048268200000000, -0.0037672100000000, -0.0002570500000000 ] - [ 0.0005372500000000, -0.0002987200000000, 0.0011975100000000 ] - [ -0.0008994400000000, 0.0002631500000000, -0.0006997600000000 ] - [ 0.0002246700000000, 0.0003994600000000, 0.0019314800000000 ] - [ -0.0029518800000000, 0.0017669800000000, -0.0004536600000000 ] - [ -0.0008039900000000, 0.0000146000000000, -0.0003436000000000 ] - [ -0.0053205100000000, -0.0117481300000000, -0.0101950600000000 ] - [ -0.0427788200000000, 0.0109428500000000, 0.0295697000000000 ] - [ 0.0093964900000000, 0.0022689600000000, -0.0109665500000000 ] - [ -0.0021060700000000, -0.0026421900000000, -0.0056928900000000 ] - [ -0.0030063100000000, -0.0010057300000000, 0.0057750500000000 ] - [ -0.0019335200000000, -0.0002848700000000, 0.0008775300000000 ] - [ -0.0023247500000000, 0.0020745800000000, 0.0047756300000000 ] - [ 0.0075334800000000, 0.0088016400000000, -0.0059341300000000 ] - [ -0.0015678800000000, 0.0000529600000000, 0.0001484900000000 ] - [ -0.0035094600000000, 0.0015453800000000, -0.0031373100000000 ] - [ -0.0024569000000000, -0.0107205500000000, 0.0065503000000000 ] - [ -0.0243611100000000, 0.0128233400000000, 0.0054526100000000 ] - [ 0.0027814600000000, -0.0009642500000000, -0.0005825200000000 ] - [ -0.0022107200000000, 0.0003651100000000, 0.0026614200000000 ] - [ -0.0250529000000000, -0.0056905800000000, -0.0105343000000000 ] - [ 0.1095206700000000, -0.0349041100000000, -0.0666053400000000 ] - [ -0.0020574100000000, -0.0005640700000000, -0.0009779100000000 ] - [ 0.0102302500000000, 0.0025907800000000, 0.0049659100000000 ] - [ -0.0216689500000000, 0.0078539800000000, 0.0220377300000000 ] - [ 0.0009747700000000, -0.0015558900000000, 0.0033500800000000 ] - [ -0.0020268400000000, 0.0015346600000000, -0.0003435300000000 ] - [ -0.0031140900000000, 0.0188514600000000, -0.0012422700000000 ] - [ 0.0012737600000000, 0.0010905000000000, 0.0019182500000000 ] - [ 0.0010390000000000, 0.0016330200000000, 0.0034592700000000 ] - [ -0.0013118900000000, 0.0008673200000000, 0.0003384200000000 ] - [ 0.0017437500000000, 0.0003513200000000, -0.0005684100000000 ] - [ -0.0075173600000000, 0.0089487700000000, 0.0114198400000000 ] - [ -0.0056675300000000, -0.0025858800000000, 0.0180284600000000 ] - [ 0.0025173400000000, -0.0028193900000000, 0.0065069400000000 ] - [ 0.0032773800000000, 0.0029335600000000, -0.0043877200000000 ] - [ -0.0021902700000000, -0.0009742200000000, -0.0029665100000000 ] - [ 0.0058861000000000, -0.0030040800000000, 0.0042669300000000 ] - [ 0.0028881200000000, -0.0088186600000000, -0.0104008300000000 ] - [ -0.0057911900000000, -0.0030928800000000, 0.0054354900000000 ] - [ 0.0131731000000000, 0.0087834400000000, 0.0048010500000000 ] - [ 0.0053403200000000, -0.0012604800000000, -0.0069794500000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017512400000000, -0.0006738400000000, 0.0000916100000000 ] - [ 0.0006591500000000, -0.0017263400000000, 0.0001113800000000 ] - [ -0.0005046300000000, 0.0005299000000000, -0.0022341800000000 ] - [ 0.0008818700000000, -0.0008549900000000, 0.0027480100000000 ] - [ -0.0012095200000000, 0.0007265400000000, -0.0026171300000000 ] - [ 0.0002563300000000, 0.0008337100000000, 0.0043799400000000 ] - [ -0.0008657500000000, -0.0001294200000000, 0.0044856000000000 ] - [ -0.0007234400000000, 0.0009051800000000, -0.0026231800000000 ] - [ -0.0042195900000000, 0.0136697900000000, 0.0275219700000000 ] - [ -0.0109586300000000, 0.0035264100000000, 0.0261977100000000 ] - [ 0.0137507800000000, 0.0047979500000000, -0.0211137000000000 ] - [ -0.0047710900000000, -0.0139982300000000, -0.0210865200000000 ] - [ -0.0052298500000000, -0.0019805100000000, 0.0095644300000000 ] - [ -0.0025996100000000, -0.0006147700000000, 0.0012663200000000 ] - [ -0.0033132800000000, 0.0033391000000000, 0.0079133900000000 ] - [ 0.0049564300000000, 0.0100366300000000, -0.0135854600000000 ] - [ -0.0000370000000000, 0.0012286700000000, 0.0006252100000000 ] - [ -0.0032108800000000, 0.0031864800000000, -0.0056856900000000 ] - [ -0.0083495300000000, -0.0154210800000000, 0.0069664100000000 ] - [ -0.0151601300000000, 0.0040997100000000, -0.0074241400000000 ] - [ 0.0156009100000000, 0.0086114700000000, 0.0071127600000000 ] - [ -0.0033144500000000, 0.0006089200000000, 0.0052201600000000 ] - [ -0.0103095300000000, -0.0049958100000000, -0.0141564200000000 ] - [ 0.0673035400000000, -0.0687121600000000, -0.1379053200000000 ] - [ -0.0009610000000000, -0.0011410700000000, -0.0003515300000000 ] - [ 0.0048888700000000, 0.0179732100000000, 0.0327098300000000 ] - [ -0.0185417400000000, 0.0088987400000000, 0.0255991600000000 ] - [ 0.0033805700000000, -0.0033347100000000, 0.0082503800000000 ] - [ 0.0005857800000000, 0.0024395200000000, 0.0013768800000000 ] - [ -0.0040009200000000, 0.0151550600000000, -0.0072195800000000 ] - [ -0.0005907800000000, 0.0031446100000000, 0.0051270200000000 ] - [ 0.0020160600000000, 0.0053834300000000, 0.0101518900000000 ] - [ -0.0012638000000000, 0.0000596900000000, 0.0006539700000000 ] - [ 0.0011102700000000, 0.0011014000000000, -0.0009185000000000 ] - [ -0.0088753400000000, 0.0183943900000000, 0.0251470100000000 ] - [ -0.0181384200000000, -0.0050181200000000, 0.0331158400000000 ] - [ 0.0010873300000000, -0.0016564000000000, 0.0072984400000000 ] - [ 0.0028996700000000, 0.0029235000000000, -0.0080488800000000 ] - [ -0.0031272600000000, -0.0029100800000000, -0.0080308500000000 ] - [ 0.0016532600000000, -0.0009102800000000, 0.0073576000000000 ] - [ 0.0031668200000000, -0.0092602000000000, -0.0141540600000000 ] - [ -0.0044856100000000, 0.0004318900000000, 0.0100953300000000 ] - [ -0.0004859500000000, 0.0045126800000000, 0.0102000000000000 ] - [ 0.0092988600000000, -0.0031805500000000, -0.0141330900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010731300000000, -0.0001360500000000, 0.0002621200000000 ] - [ 0.0034293500000000, 0.0005050300000000, 0.0005050300000000 ] - [ 0.0034293500000000, -0.0005050300000000, -0.0005050300000000 ] - [ -0.0010731300000000, 0.0001360500000000, -0.0002621200000000 ] - [ 0.0002696500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0030671600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002608600000000, 0.0027136200000000, 0.0027752100000000 ] - [ 0.0002608600000000, -0.0027136200000000, -0.0027752100000000 ] - [ -0.0066695300000000, -0.0192662300000000, 0.0210290800000000 ] - [ 0.0116450800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0061146700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0066695300000000, 0.0192662300000000, -0.0210290800000000 ] - [ 0.0017841400000000, 0.0013439300000000, -0.0027806300000000 ] - [ 0.0015831200000000, 0.0000081600000000, 0.0005093400000000 ] - [ 0.0015834100000000, -0.0002166600000000, -0.0036100600000000 ] - [ 0.0051719900000000, 0.0062727000000000, 0.0008902500000000 ] - [ 0.0015834100000000, 0.0002166600000000, 0.0036100600000000 ] - [ -0.0115065700000000, -0.0060619800000000, 0.0050551500000000 ] - [ -0.0073426000000000, -0.0002988900000000, 0.0005512300000000 ] - [ 0.0152962400000000, 0.0004141200000000, 0.0000395900000000 ] - [ -0.0043914000000000, 0.0003239700000000, -0.0003847500000000 ] - [ 0.0015831200000000, -0.0000081600000000, -0.0005093400000000 ] - [ -0.0024852800000000, -0.0017361100000000, -0.0014952400000000 ] - [ -0.0024424800000000, 0.0031109300000000, 0.0009869700000000 ] - [ 0.0017841400000000, -0.0013439300000000, 0.0027806300000000 ] - [ -0.0024424800000000, -0.0031109300000000, -0.0009869700000000 ] - [ -0.0024852800000000, 0.0017361100000000, 0.0014952400000000 ] - [ 0.0021267200000000, -0.0030419000000000, 0.0030297200000000 ] - [ 0.0152962400000000, -0.0004141200000000, -0.0000395900000000 ] - [ -0.0073426000000000, 0.0002988900000000, -0.0005512300000000 ] - [ -0.0043914000000000, -0.0003239700000000, 0.0003847500000000 ] - [ 0.0022730500000000, 0.0006165500000000, 0.0041478200000000 ] - [ -0.0115065700000000, 0.0060619800000000, -0.0050551500000000 ] - [ 0.0051719900000000, -0.0062727000000000, -0.0008902500000000 ] - [ 0.0022730500000000, -0.0006165500000000, -0.0041478200000000 ] - [ 0.0021267200000000, 0.0030419000000000, -0.0030297200000000 ] - [ -0.0618855200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0030987300000000, 0.0085719800000000, 0.0091967300000000 ] - [ 0.0029468800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0030987300000000, -0.0085719800000000, -0.0091967300000000 ] - [ -0.0018424800000000, -0.0135567500000000, 0.0135945700000000 ] - [ 0.0661179000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018424800000000, 0.0135567500000000, -0.0135945700000000 ] - [ -0.0076204600000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010876800000000, 0.0001128100000000, -0.0002636400000000 ] - [ -0.0034622400000000, -0.0002629800000000, -0.0003890200000000 ] - [ -0.0034622400000000, 0.0002629800000000, 0.0003890200000000 ] - [ 0.0010876800000000, -0.0001128100000000, 0.0002636400000000 ] - [ -0.0005757000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033650800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002955300000000, -0.0023939300000000, -0.0027692400000000 ] - [ -0.0002955300000000, 0.0023939300000000, 0.0027692400000000 ] - [ 0.0065015900000000, 0.0195157600000000, -0.0209153700000000 ] - [ -0.0112811100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0057554600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0065015900000000, -0.0195157600000000, 0.0209153700000000 ] - [ -0.0016136100000000, -0.0013231600000000, 0.0021590900000000 ] - [ -0.0017315500000000, 0.0000117900000000, -0.0005649300000000 ] - [ -0.0015679700000000, 0.0002663100000000, 0.0036465900000000 ] - [ -0.0039451700000000, -0.0065742500000000, 0.0002520000000000 ] - [ -0.0015679700000000, -0.0002663100000000, -0.0036465900000000 ] - [ 0.0108900600000000, 0.0059886900000000, -0.0049153200000000 ] - [ 0.0074852600000000, 0.0003597500000000, -0.0006147400000000 ] - [ -0.0152577000000000, -0.0002802300000000, -0.0000497400000000 ] - [ 0.0044010100000000, -0.0001726200000000, 0.0004643400000000 ] - [ -0.0017315500000000, -0.0000117900000000, 0.0005649300000000 ] - [ 0.0022682200000000, 0.0017249500000000, 0.0008502100000000 ] - [ 0.0024212700000000, -0.0031422800000000, -0.0010080200000000 ] - [ -0.0016136100000000, 0.0013231600000000, -0.0021590900000000 ] - [ 0.0024212700000000, 0.0031422800000000, 0.0010080200000000 ] - [ 0.0022682200000000, -0.0017249500000000, -0.0008502100000000 ] - [ -0.0020678800000000, 0.0030695600000000, -0.0030208300000000 ] - [ -0.0152577000000000, 0.0002802300000000, 0.0000497400000000 ] - [ 0.0074852600000000, -0.0003597500000000, 0.0006147400000000 ] - [ 0.0044010100000000, 0.0001726200000000, -0.0004643400000000 ] - [ -0.0022254100000000, -0.0004224700000000, -0.0034965000000000 ] - [ 0.0108900600000000, -0.0059886900000000, 0.0049153200000000 ] - [ -0.0039451700000000, 0.0065742500000000, -0.0002520000000000 ] - [ -0.0022254100000000, 0.0004224700000000, 0.0034965000000000 ] - [ -0.0020678800000000, -0.0030695600000000, 0.0030208300000000 ] - [ 0.0605829500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0029728700000000, -0.0088503600000000, -0.0092321400000000 ] - [ -0.0031544200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0029728700000000, 0.0088503600000000, 0.0092321400000000 ] - [ 0.0019827000000000, 0.0136710000000000, -0.0136780800000000 ] - [ -0.0661300300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0019827000000000, -0.0136710000000000, 0.0136780800000000 ] - [ 0.0076420200000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017016400000000, 0.0005721700000000, -0.0016481200000000 ] - [ -0.0052146000000000, 0.0389838200000000, 0.0208164600000000 ] - [ 0.0051500700000000, 0.0408617000000000, 0.0223211000000000 ] - [ -0.0016701300000000, 0.0005929600000000, -0.0016395200000000 ] - [ -0.0001513000000000, 0.0008110400000000, -0.0002074000000000 ] - [ 0.0001559300000000, 0.0217845300000000, -0.0029290600000000 ] - [ 0.0045215400000000, 0.0017295900000000, 0.0048860600000000 ] - [ -0.0044945400000000, 0.0014426100000000, 0.0048526000000000 ] - [ -0.0188842000000000, 0.0043847600000000, -0.0162865500000000 ] - [ 0.0001788900000000, 0.0097258300000000, 0.0046320000000000 ] - [ -0.0001633500000000, 0.0056111300000000, -0.0024874200000000 ] - [ 0.0190032900000000, 0.0038843600000000, -0.0163391000000000 ] - [ -0.0001007400000000, -0.0034914400000000, 0.0011090400000000 ] - [ -0.0002615400000000, -0.0002260400000000, -0.0028815600000000 ] - [ -0.0001771200000000, 0.0033062000000000, 0.0023557200000000 ] - [ 0.0027743900000000, 0.0099184600000000, -0.0033556400000000 ] - [ 0.0002057200000000, 0.0032787200000000, 0.0023586200000000 ] - [ -0.0030004000000000, 0.0098557900000000, -0.0013980000000000 ] - [ -0.0007007700000000, 0.0003139500000000, 0.0004767400000000 ] - [ 0.0003080600000000, 0.0070726600000000, 0.0063351500000000 ] - [ 0.0009802900000000, 0.0009123500000000, 0.0025113700000000 ] - [ 0.0001014700000000, -0.0002260600000000, -0.0027833600000000 ] - [ -0.0013116500000000, -0.0058214300000000, -0.0011739700000000 ] - [ 0.0027748300000000, -0.0059182700000000, -0.0016778400000000 ] - [ 0.0002668800000000, -0.0035468300000000, 0.0017139000000000 ] - [ -0.0028681700000000, -0.0058328900000000, -0.0016316200000000 ] - [ 0.0011759200000000, -0.0057634600000000, -0.0005378100000000 ] - [ 0.0010044200000000, -0.0032423300000000, 0.0029019700000000 ] - [ -0.0003491100000000, 0.0073677100000000, 0.0059555500000000 ] - [ 0.0008627500000000, 0.0003595200000000, 0.0005695400000000 ] - [ -0.0009750600000000, 0.0007733700000000, 0.0024193600000000 ] - [ 0.0003064400000000, 0.0033622300000000, 0.0041553900000000 ] - [ 0.0029754900000000, 0.0099335600000000, -0.0014395500000000 ] - [ -0.0027941100000000, 0.0101377300000000, -0.0040225200000000 ] - [ -0.0002779100000000, 0.0031889900000000, 0.0035500800000000 ] - [ -0.0009599500000000, -0.0033171200000000, 0.0029079500000000 ] - [ 0.0001725100000000, -0.1524027900000000, -0.0521342800000000 ] - [ 0.0171607200000000, 0.0029579100000000, 0.0147694200000000 ] - [ -0.0001041800000000, -0.0031176400000000, -0.0016055700000000 ] - [ -0.0172379500000000, 0.0031093300000000, 0.0148460200000000 ] - [ -0.0140703600000000, 0.0011422500000000, -0.0088129800000000 ] - [ -0.0000317900000000, -0.0112477600000000, 0.0104109000000000 ] - [ 0.0140017000000000, 0.0012207400000000, -0.0087896800000000 ] - [ 0.0000159600000000, -0.0044419100000000, -0.0030734100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013672500000000, 0.0006349700000000, -0.0028859700000000 ] - [ -0.0031383600000000, 0.0253656200000000, 0.0185476100000000 ] - [ 0.0030709500000000, 0.0262624400000000, 0.0189372500000000 ] - [ -0.0013443700000000, 0.0006657400000000, -0.0028871700000000 ] - [ -0.0001501300000000, -0.0002984800000000, 0.0022208900000000 ] - [ 0.0001494600000000, 0.0020202800000000, -0.0085181500000000 ] - [ 0.0042205000000000, 0.0036808100000000, 0.0043221600000000 ] - [ -0.0041933500000000, 0.0033440900000000, 0.0043165000000000 ] - [ 0.0215405900000000, -0.0162004900000000, 0.0217473800000000 ] - [ 0.0001619200000000, -0.0002448200000000, -0.0241033000000000 ] - [ -0.0001604000000000, -0.0004967500000000, 0.0208695900000000 ] - [ -0.0213290900000000, -0.0163663000000000, 0.0217149000000000 ] - [ 0.0026871700000000, 0.0026123300000000, -0.0074612500000000 ] - [ -0.0006392100000000, -0.0006572800000000, -0.0065807400000000 ] - [ 0.0012470700000000, -0.0019780600000000, -0.0083984600000000 ] - [ -0.0064439900000000, -0.0006025300000000, 0.0167273500000000 ] - [ -0.0012034500000000, -0.0019834100000000, -0.0083990600000000 ] - [ 0.0123283500000000, 0.0008364600000000, 0.0116177000000000 ] - [ -0.0006673600000000, -0.0017959000000000, 0.0070896100000000 ] - [ -0.0000674000000000, -0.0007614100000000, 0.0014181700000000 ] - [ -0.0007463500000000, -0.0006599400000000, -0.0044873700000000 ] - [ 0.0004811600000000, -0.0006292100000000, -0.0064832800000000 ] - [ 0.0056175400000000, 0.0025687400000000, 0.0060889000000000 ] - [ -0.0065538800000000, 0.0042787700000000, 0.0073394900000000 ] - [ -0.0025202400000000, 0.0025633200000000, -0.0068454100000000 ] - [ 0.0064899200000000, 0.0043039100000000, 0.0073148300000000 ] - [ -0.0057669100000000, 0.0025917800000000, 0.0066732900000000 ] - [ -0.0029695900000000, 0.0044390100000000, -0.0080467300000000 ] - [ 0.0000242900000000, -0.0003728600000000, 0.0008652000000000 ] - [ 0.0008269700000000, -0.0017934700000000, 0.0071930000000000 ] - [ 0.0007519300000000, -0.0008197200000000, -0.0045984900000000 ] - [ -0.0010494100000000, -0.0024250600000000, -0.0093803300000000 ] - [ -0.0124941800000000, 0.0009183700000000, 0.0114200900000000 ] - [ 0.0067132200000000, -0.0003232700000000, 0.0158432000000000 ] - [ 0.0010627100000000, -0.0025583400000000, -0.0099918900000000 ] - [ 0.0030075300000000, 0.0043819300000000, -0.0080332500000000 ] - [ -0.0000252600000000, -0.0521160800000000, -0.1204356900000000 ] - [ 0.0147718100000000, 0.0090678300000000, 0.0130843600000000 ] - [ -0.0000977500000000, 0.0016064200000000, 0.0104590700000000 ] - [ -0.0148435100000000, 0.0093615600000000, 0.0130765800000000 ] - [ 0.0153862400000000, -0.0080357400000000, 0.0128901200000000 ] - [ -0.0000136700000000, 0.0071510500000000, -0.0462992800000000 ] - [ -0.0154916200000000, -0.0081079700000000, 0.0128751100000000 ] - [ 0.0000029200000000, 0.0005716300000000, 0.0191834600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007133100000000, 0.0003581600000000, -0.0029904600000000 ] - [ 0.0011699100000000, 0.0005489300000000, 0.0001205400000000 ] - [ 0.0006952000000000, -0.0003878200000000, -0.0030228100000000 ] - [ 0.0011531000000000, -0.0005085400000000, 0.0001021600000000 ] - [ -0.0000937500000000, -0.0034439800000000, 0.0031672600000000 ] - [ 0.0001945900000000, 0.0034983200000000, 0.0032122100000000 ] - [ 0.0011288100000000, 0.0001510400000000, 0.0001733100000000 ] - [ 0.0020889200000000, -0.0001508800000000, -0.0002254800000000 ] - [ 0.0042343300000000, 0.0001658800000000, -0.0026843400000000 ] - [ 0.0117643100000000, -0.0051578600000000, -0.0135990700000000 ] - [ 0.0112122800000000, 0.0051655800000000, -0.0135246000000000 ] - [ 0.1555417900000000, -0.0001017100000000, -0.0512427200000000 ] - [ 0.0070093300000000, 0.0025335200000000, -0.0010040800000000 ] - [ -0.0007117400000000, 0.0004578500000000, 0.0019251400000000 ] - [ 0.0112490200000000, -0.0006802300000000, 0.0011834500000000 ] - [ -0.0029086800000000, -0.0007005800000000, 0.0018603200000000 ] - [ 0.0017512400000000, 0.0006184200000000, 0.0024763000000000 ] - [ 0.0017319200000000, -0.0006432700000000, 0.0024799300000000 ] - [ -0.0012506500000000, 0.0004110900000000, 0.0005133100000000 ] - [ -0.0000648700000000, 0.0016327600000000, -0.0024053100000000 ] - [ -0.0000724500000000, -0.0014490100000000, -0.0022788800000000 ] - [ -0.0013900300000000, -0.0004079000000000, 0.0005764800000000 ] - [ 0.0013372900000000, 0.0009839100000000, 0.0029115300000000 ] - [ -0.0029331600000000, 0.0012336400000000, 0.0031736900000000 ] - [ 0.0015068000000000, -0.0010046400000000, 0.0034821000000000 ] - [ -0.0132206500000000, -0.0030858300000000, 0.0004351800000000 ] - [ 0.0071188500000000, -0.0026966400000000, -0.0005248700000000 ] - [ -0.0130461700000000, 0.0031091200000000, 0.0004831900000000 ] - [ -0.0062446400000000, 0.0014617700000000, 0.0245503100000000 ] - [ -0.0005860300000000, -0.0004785400000000, 0.0020276300000000 ] - [ -0.0098787400000000, -0.0017247100000000, 0.0227395900000000 ] - [ -0.0152513700000000, -0.0016219400000000, 0.0023064000000000 ] - [ 0.0114284900000000, 0.0010244300000000, 0.0009099200000000 ] - [ -0.0153568700000000, 0.0017722200000000, 0.0016694200000000 ] - [ -0.0028502500000000, 0.0005373100000000, 0.0012481000000000 ] - [ -0.0028615600000000, -0.0012959800000000, 0.0031722800000000 ] - [ -0.0018300200000000, -0.0141441500000000, 0.0155534500000000 ] - [ -0.0112446600000000, -0.0001161400000000, 0.0071524400000000 ] - [ -0.0019954200000000, 0.0139290800000000, 0.0153244400000000 ] - [ -0.0044418800000000, 0.0001088100000000, -0.0005722600000000 ] - [ -0.1380316100000000, 0.0001426800000000, -0.0071910800000000 ] - [ 0.0083074000000000, 0.0044596400000000, -0.0104705600000000 ] - [ -0.0032443500000000, -0.0000299400000000, -0.0027392700000000 ] - [ 0.0081726600000000, -0.0044738800000000, -0.0104543000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002493000000000, 0.0023019600000000, -0.0005415700000000 ] - [ -0.0003536700000000, -0.0058450100000000, -0.0010016800000000 ] - [ -0.0002493000000000, 0.0023019600000000, 0.0005415700000000 ] - [ 0.0003536700000000, -0.0058450100000000, 0.0010016800000000 ] - [ -0.0032988800000000, 0.0004775700000000, -0.0022927500000000 ] - [ 0.0032988800000000, 0.0004775700000000, 0.0022927500000000 ] - [ 0.0000000000000000, -0.0011479000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022477300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0182633700000000, 0.0000000000000000 ] - [ -0.0426763300000000, 0.0129659100000000, 0.0433146000000000 ] - [ 0.0426763300000000, 0.0129659100000000, -0.0433146000000000 ] - [ 0.0000000000000000, -0.0265219800000000, 0.0000000000000000 ] - [ -0.0126392600000000, 0.0143886800000000, 0.0020434600000000 ] - [ -0.0005582200000000, 0.0133227000000000, 0.0011547200000000 ] - [ 0.0069524800000000, 0.0179518000000000, 0.0006332800000000 ] - [ -0.0053583700000000, -0.0049801200000000, 0.0084570700000000 ] - [ -0.0013441100000000, -0.0043683100000000, -0.0098895300000000 ] - [ 0.0013441100000000, -0.0043683100000000, 0.0098895300000000 ] - [ -0.0006716000000000, -0.0222869400000000, -0.0001866700000000 ] - [ -0.0001785800000000, -0.0041281900000000, 0.0008431400000000 ] - [ 0.0001785800000000, -0.0041281900000000, -0.0008431400000000 ] - [ 0.0006716000000000, -0.0222869400000000, 0.0001866700000000 ] - [ -0.0018965500000000, -0.0054955400000000, -0.0100897300000000 ] - [ 0.0088546500000000, -0.0054026700000000, -0.0092834700000000 ] - [ 0.0018965500000000, -0.0054955400000000, 0.0100897300000000 ] - [ 0.0088715800000000, 0.0058805500000000, 0.0045323800000000 ] - [ 0.0126392600000000, 0.0143886800000000, -0.0020434600000000 ] - [ -0.0088715800000000, 0.0058805500000000, -0.0045323800000000 ] - [ -0.0021057300000000, 0.0155496200000000, -0.0024419500000000 ] - [ 0.0005582200000000, 0.0133227000000000, -0.0011547200000000 ] - [ 0.0021057300000000, 0.0155496200000000, 0.0024419500000000 ] - [ 0.0056639700000000, 0.0041791400000000, 0.0036106500000000 ] - [ -0.0069524800000000, 0.0179518000000000, -0.0006332800000000 ] - [ -0.0056639700000000, 0.0041791400000000, -0.0036106500000000 ] - [ 0.0053583700000000, -0.0049801200000000, -0.0084570700000000 ] - [ -0.0088546500000000, -0.0054026700000000, 0.0092834700000000 ] - [ -0.0134586500000000, 0.0012147900000000, -0.0080653600000000 ] - [ 0.0000000000000000, 0.0660811500000000, 0.0000000000000000 ] - [ 0.0134586500000000, 0.0012147900000000, 0.0080653600000000 ] - [ 0.0000000000000000, -0.0075285500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.1587924500000000, 0.0000000000000000 ] - [ 0.0366001500000000, 0.0082541300000000, -0.0338499500000000 ] - [ 0.0000000000000000, 0.0194384600000000, 0.0000000000000000 ] - [ -0.0366001500000000, 0.0082541300000000, 0.0338499500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002213600000000, -0.0023230900000000, 0.0005246900000000 ] - [ 0.0003014400000000, 0.0058453300000000, 0.0009820000000000 ] - [ 0.0002213600000000, -0.0023230900000000, -0.0005246900000000 ] - [ -0.0003014400000000, 0.0058453300000000, -0.0009820000000000 ] - [ 0.0029617600000000, -0.0004950800000000, 0.0022816100000000 ] - [ -0.0029617600000000, -0.0004950800000000, -0.0022816100000000 ] - [ 0.0000000000000000, 0.0014484600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025479800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0178946400000000, 0.0000000000000000 ] - [ 0.0426601200000000, -0.0129459400000000, -0.0430960300000000 ] - [ -0.0426601200000000, -0.0129459400000000, 0.0430960300000000 ] - [ 0.0000000000000000, 0.0261176400000000, 0.0000000000000000 ] - [ 0.0130878000000000, -0.0125895400000000, -0.0040222400000000 ] - [ 0.0003708800000000, -0.0133050400000000, -0.0012168800000000 ] - [ -0.0065874200000000, -0.0198220600000000, -0.0022039700000000 ] - [ 0.0053250500000000, 0.0048003800000000, -0.0078360300000000 ] - [ 0.0013553500000000, 0.0043485400000000, 0.0098818100000000 ] - [ -0.0013553500000000, 0.0043485400000000, -0.0098818100000000 ] - [ 0.0008756300000000, 0.0222548300000000, 0.0000405500000000 ] - [ 0.0001692400000000, 0.0042658500000000, -0.0009148800000000 ] - [ -0.0001692400000000, 0.0042658500000000, 0.0009148800000000 ] - [ -0.0008756300000000, 0.0222548300000000, -0.0000405500000000 ] - [ 0.0017510800000000, 0.0054483000000000, 0.0094636000000000 ] - [ -0.0088793500000000, 0.0053540300000000, 0.0092752400000000 ] - [ -0.0017510800000000, 0.0054483000000000, -0.0094636000000000 ] - [ -0.0088432300000000, -0.0057591900000000, -0.0044649900000000 ] - [ -0.0130878000000000, -0.0125895400000000, 0.0040222400000000 ] - [ 0.0088432300000000, -0.0057591900000000, 0.0044649900000000 ] - [ 0.0015706900000000, -0.0156558700000000, 0.0024186200000000 ] - [ -0.0003708800000000, -0.0133050400000000, 0.0012168800000000 ] - [ -0.0015706900000000, -0.0156558700000000, -0.0024186200000000 ] - [ -0.0056333900000000, -0.0040495200000000, -0.0030613800000000 ] - [ 0.0065874200000000, -0.0198220600000000, 0.0022039700000000 ] - [ 0.0056333900000000, -0.0040495200000000, 0.0030613800000000 ] - [ -0.0053250500000000, 0.0048003800000000, 0.0078360300000000 ] - [ 0.0088793500000000, 0.0053540300000000, -0.0092752400000000 ] - [ 0.0137599600000000, -0.0011461300000000, 0.0080799300000000 ] - [ 0.0000000000000000, -0.0661649000000000, 0.0000000000000000 ] - [ -0.0137599600000000, -0.0011461300000000, -0.0080799300000000 ] - [ 0.0000000000000000, 0.0077187700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.1587740300000000, 0.0000000000000000 ] - [ -0.0367711600000000, -0.0082297300000000, 0.0339124900000000 ] - [ 0.0000000000000000, -0.0194434700000000, 0.0000000000000000 ] - [ 0.0367711600000000, -0.0082297300000000, -0.0339124900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005107000000000, 0.0007950000000000, -0.0048088900000000 ] - [ -0.0007998000000000, 0.0009352000000000, 0.0033706700000000 ] - [ 0.0004821200000000, -0.0008152000000000, -0.0048086800000000 ] - [ -0.0007866900000000, -0.0009082200000000, 0.0033551900000000 ] - [ 0.0028360000000000, -0.0022433500000000, 0.0028984000000000 ] - [ 0.0031638000000000, 0.0022570100000000, 0.0028994000000000 ] - [ -0.0007349100000000, 0.0001532400000000, 0.0038388900000000 ] - [ -0.0007370000000000, -0.0001535500000000, -0.0042973600000000 ] - [ -0.0049284400000000, 0.0001707100000000, 0.0316444600000000 ] - [ -0.0364497500000000, 0.0127266700000000, 0.0363756900000000 ] - [ -0.0366886500000000, -0.0126583500000000, 0.0363722800000000 ] - [ 0.0489032900000000, -0.0001569400000000, -0.0589511200000000 ] - [ 0.0081951700000000, -0.0015871200000000, 0.0149079300000000 ] - [ 0.0028040800000000, 0.0006002100000000, -0.0092605000000000 ] - [ 0.0042641700000000, 0.0096863000000000, 0.0225474600000000 ] - [ 0.0071976800000000, 0.0064221800000000, -0.0126270600000000 ] - [ -0.0037437600000000, -0.0056345300000000, -0.0147548500000000 ] - [ -0.0037756100000000, 0.0056240800000000, -0.0147960000000000 ] - [ 0.0046274200000000, 0.0009902400000000, -0.0008672800000000 ] - [ -0.0001246100000000, 0.0017434400000000, -0.0074841900000000 ] - [ -0.0001123600000000, -0.0015890700000000, -0.0074052700000000 ] - [ 0.0044947300000000, -0.0009730900000000, -0.0008090000000000 ] - [ -0.0045541300000000, -0.0051334300000000, -0.0142091600000000 ] - [ 0.0104222700000000, -0.0070341700000000, -0.0141418300000000 ] - [ -0.0044043900000000, 0.0050988700000000, -0.0136006700000000 ] - [ 0.0048673500000000, 0.0055116900000000, 0.0101758700000000 ] - [ 0.0078407500000000, 0.0029229500000000, 0.0162901500000000 ] - [ 0.0048861700000000, -0.0054270900000000, 0.0101186200000000 ] - [ -0.0074668700000000, -0.0009220500000000, 0.0260265800000000 ] - [ 0.0029564000000000, -0.0006215300000000, -0.0091404500000000 ] - [ -0.0075940900000000, 0.0007365400000000, 0.0258399000000000 ] - [ 0.0020610200000000, 0.0049349400000000, 0.0102851600000000 ] - [ 0.0040458300000000, -0.0112766600000000, 0.0236103000000000 ] - [ 0.0020577700000000, -0.0048063100000000, 0.0097450800000000 ] - [ 0.0072113300000000, -0.0065863200000000, -0.0132335700000000 ] - [ 0.0104669500000000, 0.0069874500000000, -0.0141425800000000 ] - [ 0.0138078700000000, -0.0088418300000000, 0.0128897000000000 ] - [ 0.0104146600000000, -0.0001185400000000, -0.0462993600000000 ] - [ 0.0134758200000000, 0.0087625200000000, 0.0128766900000000 ] - [ 0.0030748000000000, 0.0001072800000000, 0.0191843600000000 ] - [ -0.0071415400000000, 0.0004213400000000, -0.1563158900000000 ] - [ -0.0339698500000000, -0.0105021700000000, 0.0308818000000000 ] - [ 0.0027379000000000, -0.0000220600000000, 0.0250075200000000 ] - [ -0.0337935900000000, 0.0104237000000000, 0.0308115900000000 ]