# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8783d12f-9681-435a-b73a-0e63e7101019/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 Ca10P6O25 / P-6 (174) / materials id 29760](https://mdr.nims.go.jp/datasets/b5097bbe-7f82-4551-aa7e-0c8e7cbf211f) ## 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: "P-6" number: 174 Hall_symbol: "P -6"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.439247399999999, 0.000000010000000, 0.000000000000000 ] # a - [ -4.719623720000000, 8.174628029999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.810454350000000 ] # c points: - symbol: O # 1 coordinates: [ 0.520182020000000, 0.675831100000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.324168900000000, 0.844350920000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.155649080000000, 0.479817980000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.498389470000000, 0.343878740000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.656121260000000, 0.154510730000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.845489270000000, 0.501610530000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.549904220000000, 0.422861090000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.577138910000000, 0.127043130000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.872956870000000, 0.450095780000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.475270520000000, 0.602909200000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.397090800000000, 0.872361310000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.127638690000000, 0.524729480000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.759289100000000, 0.674641250000000, 0.180316840000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.325358750000000, 0.084647850000000, 0.819683160000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.915352150000000, 0.240710900000000, 0.819683160000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.915352150000000, 0.240710900000000, 0.180316840000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.325358750000000, 0.084647850000000, 0.180316840000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.759289100000000, 0.674641250000000, 0.819683160000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.270810500000000, 0.357317230000000, 0.315292640000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.642682770000000, 0.913493270000000, 0.684707360000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.086506730000000, 0.729189500000000, 0.684707360000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.086506730000000, 0.729189500000000, 0.315292640000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.642682770000000, 0.913493270000000, 0.315292640000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.270810500000000, 0.357317230000000, 0.684707360000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: P # 26 coordinates: [ 0.385694070000000, 0.030221630000000, 0.000000000000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.969778370000000, 0.355472440000000, 0.000000000000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.381348720000000, 0.413243120000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.586756880000000, 0.968105610000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.031894390000000, 0.618651280000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.644527560000000, 0.614305930000000, 0.000000000000000 ] mass: 30.973762 - symbol: Ca # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.252940110000000 ] mass: 40.078000 - symbol: Ca # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.255721060000000 ] mass: 40.078000 - symbol: Ca # 34 coordinates: [ 0.333333330000000, 0.666666670000000, 0.747059890000000 ] mass: 40.078000 - symbol: Ca # 35 coordinates: [ 0.006101320000000, 0.727402410000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 36 coordinates: [ 0.272597590000000, 0.278698910000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 37 coordinates: [ 0.721301090000000, 0.993898680000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 38 coordinates: [ 0.006535220000000, 0.230210330000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 39 coordinates: [ 0.769789670000000, 0.776324880000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 40 coordinates: [ 0.223675120000000, 0.993464780000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 41 coordinates: [ 0.666666670000000, 0.333333330000000, 0.744278940000000 ] mass: 40.078000 reciprocal_lattice: # without 2pi - [ 0.105940649398420, 0.061164862789847, 0.000000000000000 ] # a* - [ -0.000000000129597, 0.122329725061307, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.146833081701810 ] # c*unit_cell: lattice: - [ 9.439247399999999, 0.000000010000000, 0.000000000000000 ] # a - [ -4.719623720000000, 8.174628029999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.810454350000000 ] # c points: - symbol: O # 1 coordinates: [ 0.520182020000000, 0.675831100000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.324168900000000, 0.844350920000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.155649080000000, 0.479817980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.498389470000000, 0.343878740000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.656121260000000, 0.154510730000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.845489270000000, 0.501610530000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.549904220000000, 0.422861090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.577138910000000, 0.127043130000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.872956870000000, 0.450095780000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.475270520000000, 0.602909200000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.397090800000000, 0.872361310000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.127638690000000, 0.524729480000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.759289100000000, 0.674641250000000, 0.180316840000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.325358750000000, 0.084647850000000, 0.819683160000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.915352150000000, 0.240710900000000, 0.819683160000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.915352150000000, 0.240710900000000, 0.180316840000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.325358750000000, 0.084647850000000, 0.180316840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.759289100000000, 0.674641250000000, 0.819683160000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.270810500000000, 0.357317230000000, 0.315292640000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.642682770000000, 0.913493270000000, 0.684707360000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.086506730000000, 0.729189500000000, 0.684707360000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.086506730000000, 0.729189500000000, 0.315292640000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.642682770000000, 0.913493270000000, 0.315292640000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.270810500000000, 0.357317230000000, 0.684707360000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.385694070000000, 0.030221630000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.969778370000000, 0.355472440000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.381348720000000, 0.413243120000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.586756880000000, 0.968105610000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.031894390000000, 0.618651280000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.644527560000000, 0.614305930000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 31 - symbol: Ca # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.252940110000000 ] mass: 40.078000 reduced_to: 32 - symbol: Ca # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.255721060000000 ] mass: 40.078000 reduced_to: 33 - symbol: Ca # 34 coordinates: [ 0.333333330000000, 0.666666670000000, 0.747059890000000 ] mass: 40.078000 reduced_to: 34 - symbol: Ca # 35 coordinates: [ 0.006101320000000, 0.727402410000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 35 - symbol: Ca # 36 coordinates: [ 0.272597590000000, 0.278698910000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 36 - symbol: Ca # 37 coordinates: [ 0.721301090000000, 0.993898680000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 38 coordinates: [ 0.006535220000000, 0.230210330000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 38 - symbol: Ca # 39 coordinates: [ 0.769789670000000, 0.776324880000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 39 - symbol: Ca # 40 coordinates: [ 0.223675120000000, 0.993464780000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 40 - symbol: Ca # 41 coordinates: [ 0.666666670000000, 0.333333330000000, 0.744278940000000 ] mass: 40.078000 reduced_to: 41supercell: lattice: - [ 9.439247399999999, 0.000000010000000, 0.000000000000000 ] # a - [ -4.719623720000000, 8.174628029999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.620908699999999 ] # c points: - symbol: O # 1 coordinates: [ 0.520182020000000, 0.675831100000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.520182020000000, 0.675831100000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.324168900000000, 0.844350920000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.324168900000000, 0.844350920000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.155649080000000, 0.479817980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.155649080000000, 0.479817980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.498389470000000, 0.343878740000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.498389470000000, 0.343878740000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.656121260000000, 0.154510730000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.656121260000000, 0.154510730000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.845489270000000, 0.501610530000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.845489270000000, 0.501610530000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.549904220000000, 0.422861090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.549904220000000, 0.422861090000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.577138910000000, 0.127043130000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.577138910000000, 0.127043130000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.872956870000000, 0.450095780000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.872956870000000, 0.450095780000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.475270520000000, 0.602909200000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.475270520000000, 0.602909200000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.397090800000000, 0.872361310000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.397090800000000, 0.872361310000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.127638690000000, 0.524729480000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.127638690000000, 0.524729480000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.759289100000000, 0.674641250000000, 0.090158420000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.759289100000000, 0.674641250000000, 0.590158420000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.325358750000000, 0.084647850000000, 0.409841580000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.325358750000000, 0.084647850000000, 0.909841580000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.915352150000000, 0.240710900000000, 0.409841580000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.915352150000000, 0.240710900000000, 0.909841580000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.915352150000000, 0.240710900000000, 0.090158420000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.915352150000000, 0.240710900000000, 0.590158420000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.325358750000000, 0.084647850000000, 0.090158420000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.325358750000000, 0.084647850000000, 0.590158420000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.759289100000000, 0.674641250000000, 0.409841580000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.759289100000000, 0.674641250000000, 0.909841580000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.270810500000000, 0.357317230000000, 0.157646320000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.270810500000000, 0.357317230000000, 0.657646320000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.642682770000000, 0.913493270000000, 0.342353680000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.642682770000000, 0.913493270000000, 0.842353680000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.086506730000000, 0.729189500000000, 0.342353680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.086506730000000, 0.729189500000000, 0.842353680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.086506730000000, 0.729189500000000, 0.157646320000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.086506730000000, 0.729189500000000, 0.657646320000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.642682770000000, 0.913493270000000, 0.157646320000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.642682770000000, 0.913493270000000, 0.657646320000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.270810500000000, 0.357317230000000, 0.342353680000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.270810500000000, 0.357317230000000, 0.842353680000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: P # 51 coordinates: [ 0.385694070000000, 0.030221630000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.385694070000000, 0.030221630000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 53 coordinates: [ 0.969778370000000, 0.355472440000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.969778370000000, 0.355472440000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 55 coordinates: [ 0.381348720000000, 0.413243120000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.381348720000000, 0.413243120000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 57 coordinates: [ 0.586756880000000, 0.968105610000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.586756880000000, 0.968105610000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 59 coordinates: [ 0.031894390000000, 0.618651280000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.031894390000000, 0.618651280000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 61 coordinates: [ 0.644527560000000, 0.614305930000000, 0.000000000000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.644527560000000, 0.614305930000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 61 - symbol: Ca # 63 coordinates: [ 0.333333330000000, 0.666666670000000, 0.126470055000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 64 coordinates: [ 0.333333330000000, 0.666666670000000, 0.626470055000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.127860530000000 ] mass: 40.078000 reduced_to: 65 - symbol: Ca # 66 coordinates: [ 0.666666670000000, 0.333333330000000, 0.627860530000000 ] mass: 40.078000 reduced_to: 65 - symbol: Ca # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.373529945000000 ] mass: 40.078000 reduced_to: 67 - symbol: Ca # 68 coordinates: [ 0.333333330000000, 0.666666670000000, 0.873529945000000 ] mass: 40.078000 reduced_to: 67 - symbol: Ca # 69 coordinates: [ 0.006101320000000, 0.727402410000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 69 - symbol: Ca # 70 coordinates: [ 0.006101320000000, 0.727402410000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 69 - symbol: Ca # 71 coordinates: [ 0.272597590000000, 0.278698910000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 71 - symbol: Ca # 72 coordinates: [ 0.272597590000000, 0.278698910000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 71 - symbol: Ca # 73 coordinates: [ 0.721301090000000, 0.993898680000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 73 - symbol: Ca # 74 coordinates: [ 0.721301090000000, 0.993898680000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 73 - symbol: Ca # 75 coordinates: [ 0.006535220000000, 0.230210330000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 75 - symbol: Ca # 76 coordinates: [ 0.006535220000000, 0.230210330000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 75 - symbol: Ca # 77 coordinates: [ 0.769789670000000, 0.776324880000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 77 - symbol: Ca # 78 coordinates: [ 0.769789670000000, 0.776324880000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 77 - symbol: Ca # 79 coordinates: [ 0.223675120000000, 0.993464780000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 79 - symbol: Ca # 80 coordinates: [ 0.223675120000000, 0.993464780000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 79 - symbol: Ca # 81 coordinates: [ 0.666666670000000, 0.333333330000000, 0.372139470000000 ] mass: 40.078000 reduced_to: 81 - symbol: Ca # 82 coordinates: [ 0.666666670000000, 0.333333330000000, 0.872139470000000 ] mass: 40.078000 reduced_to: 81displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.3835239300000000, 0.1074228500000000, 0.0000000000000000 ] - [ 0.0003563800000000, 0.0002713000000000, 0.0000000000000000 ] - [ 0.0088155400000000, -0.0077327500000000, 0.0000000000000000 ] - [ -0.0004401500000000, 0.0005362300000000, 0.0000000000000000 ] - [ 0.0101872100000000, 0.0069496700000000, 0.0000000000000000 ] - [ -0.0000657000000000, -0.0007510300000000, 0.0000000000000000 ] - [ -0.0025902600000000, -0.0001483300000000, 0.0007184000000000 ] - [ -0.0025902600000000, -0.0001483300000000, -0.0007184000000000 ] - [ 0.0008529600000000, -0.0024440600000000, 0.0001366100000000 ] - [ 0.0008529600000000, -0.0024440600000000, -0.0001366100000000 ] - [ 0.0028263700000000, 0.0005873000000000, 0.0017468300000000 ] - [ 0.0028263700000000, 0.0005873000000000, -0.0017468300000000 ] - [ 0.0066270700000000, -0.0196908500000000, 0.0000000000000000 ] - [ -0.0001461800000000, 0.0002145100000000, 0.0000000000000000 ] - [ -0.0002913600000000, -0.0040410700000000, 0.0000000000000000 ] - [ -0.0003248700000000, -0.0002831400000000, 0.0000000000000000 ] - [ 0.0070764900000000, -0.0028516900000000, 0.0000000000000000 ] - [ 0.0005359500000000, -0.0003974600000000, 0.0000000000000000 ] - [ -0.0031819900000000, 0.0008914000000000, -0.0013502800000000 ] - [ -0.0031819900000000, 0.0008914000000000, 0.0013502800000000 ] - [ 0.0001694800000000, -0.0026820900000000, -0.0018063600000000 ] - [ 0.0001694800000000, -0.0026820900000000, 0.0018063600000000 ] - [ 0.0037737500000000, 0.0012785800000000, -0.0018983700000000 ] - [ 0.0037737500000000, 0.0012785800000000, 0.0018983700000000 ] - [ 0.0292332800000000, -0.0056545800000000, 0.0130596800000000 ] - [ -0.0001636100000000, -0.0011167400000000, -0.0010907600000000 ] - [ 0.0008759200000000, 0.0004340000000000, 0.0006807900000000 ] - [ 0.0015033100000000, -0.0020714700000000, 0.0015098000000000 ] - [ -0.0007436600000000, 0.0004025200000000, 0.0006024700000000 ] - [ 0.0009075400000000, 0.0010628000000000, 0.0011772300000000 ] - [ 0.0009075400000000, 0.0010628000000000, -0.0011772300000000 ] - [ -0.0007436600000000, 0.0004025200000000, -0.0006024700000000 ] - [ 0.0015033100000000, -0.0020714700000000, -0.0015098000000000 ] - [ 0.0008759200000000, 0.0004340000000000, -0.0006807900000000 ] - [ -0.0001636100000000, -0.0011167400000000, 0.0010907600000000 ] - [ 0.0292332800000000, -0.0056545800000000, -0.0130596800000000 ] - [ -0.0015940000000000, 0.0033164700000000, -0.0017602400000000 ] - [ -0.0004692500000000, 0.0017001800000000, 0.0007304100000000 ] - [ -0.0018471600000000, -0.0008150500000000, -0.0010669000000000 ] - [ -0.0035949200000000, -0.0030525800000000, 0.0028522300000000 ] - [ 0.0021273900000000, -0.0005618100000000, 0.0001007600000000 ] - [ 0.0053277500000000, -0.0007484000000000, -0.0015874100000000 ] - [ 0.0053277500000000, -0.0007484000000000, 0.0015874100000000 ] - [ 0.0021273900000000, -0.0005618100000000, -0.0001007600000000 ] - [ -0.0035949200000000, -0.0030525800000000, -0.0028522300000000 ] - [ -0.0018471600000000, -0.0008150500000000, 0.0010669000000000 ] - [ -0.0004692500000000, 0.0017001800000000, -0.0007304100000000 ] - [ -0.0015940000000000, 0.0033164700000000, 0.0017602400000000 ] - [ 0.0004294800000000, 0.0018476500000000, 0.0007754100000000 ] - [ 0.0004294800000000, 0.0018476500000000, -0.0007754100000000 ] - [ -0.0014900100000000, 0.0103243200000000, 0.0000000000000000 ] - [ -0.0003299400000000, -0.0001492300000000, 0.0000000000000000 ] - [ -0.0092500800000000, -0.0028824500000000, 0.0000000000000000 ] - [ -0.0000304000000000, 0.0000703100000000, 0.0000000000000000 ] - [ 0.0028511400000000, -0.0020132200000000, 0.0015359000000000 ] - [ 0.0028511400000000, -0.0020132200000000, -0.0015359000000000 ] - [ 0.0014089500000000, 0.0024755300000000, 0.0022499900000000 ] - [ 0.0014089500000000, 0.0024755300000000, -0.0022499900000000 ] - [ -0.0057285300000000, 0.0014773400000000, -0.0012536900000000 ] - [ -0.0057285300000000, 0.0014773400000000, 0.0012536900000000 ] - [ 0.2944465700000000, -0.0762810300000000, 0.0000000000000000 ] - [ 0.0007320700000000, 0.0005806000000000, 0.0000000000000000 ] - [ 0.0029035300000000, -0.0002705000000000, 0.0034613500000000 ] - [ -0.0000303100000000, -0.0001090800000000, -0.0006800100000000 ] - [ -0.0029669800000000, 0.0056495000000000, -0.0031604300000000 ] - [ -0.0000044800000000, 0.0005549300000000, 0.0009776600000000 ] - [ -0.0000303100000000, -0.0001090800000000, 0.0006800100000000 ] - [ 0.0029035300000000, -0.0002705000000000, -0.0034613500000000 ] - [ -0.0140892700000000, -0.0020472900000000, 0.0000000000000000 ] - [ -0.0020606200000000, -0.0000322900000000, 0.0000000000000000 ] - [ 0.0065834300000000, -0.0054077500000000, 0.0000000000000000 ] - [ 0.0010126500000000, -0.0016652400000000, 0.0000000000000000 ] - [ 0.0075990100000000, 0.0036609800000000, 0.0000000000000000 ] - [ 0.0010822400000000, 0.0015677900000000, 0.0000000000000000 ] - [ 0.0016847300000000, -0.0017644700000000, 0.0004911400000000 ] - [ 0.0016847300000000, -0.0017644700000000, -0.0004911400000000 ] - [ 0.0021773800000000, -0.0007562700000000, -0.0055462000000000 ] - [ 0.0021773800000000, -0.0007562700000000, 0.0055462000000000 ] - [ -0.0026438600000000, -0.0011621700000000, -0.0000526900000000 ] - [ -0.0026438600000000, -0.0011621700000000, 0.0000526900000000 ] - [ -0.0000044800000000, 0.0005549300000000, -0.0009776600000000 ] - [ -0.0029669800000000, 0.0056495000000000, 0.0031604300000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.3669599700000000, -0.0994101100000000, 0.0000000000000000 ] - [ 0.0014625100000000, 0.0001297800000000, 0.0000000000000000 ] - [ -0.0101657200000000, 0.0091815900000000, 0.0000000000000000 ] - [ -0.0008182700000000, 0.0008425600000000, 0.0000000000000000 ] - [ -0.0108169900000000, -0.0087978600000000, 0.0000000000000000 ] - [ -0.0004902800000000, -0.0010265400000000, 0.0000000000000000 ] - [ 0.0010086700000000, 0.0000768700000000, -0.0007198000000000 ] - [ 0.0010086700000000, 0.0000768700000000, 0.0007198000000000 ] - [ 0.0000085500000000, 0.0011081600000000, -0.0001476000000000 ] - [ 0.0000085500000000, 0.0011081600000000, 0.0001476000000000 ] - [ -0.0021035800000000, 0.0007994800000000, -0.0017381300000000 ] - [ -0.0021035800000000, 0.0007994800000000, 0.0017381300000000 ] - [ -0.0065310000000000, 0.0203656500000000, 0.0000000000000000 ] - [ 0.0003377700000000, 0.0005702700000000, 0.0000000000000000 ] - [ -0.0004659600000000, 0.0038181600000000, 0.0000000000000000 ] - [ -0.0004438100000000, 0.0000577500000000, 0.0000000000000000 ] - [ -0.0065013500000000, 0.0022677400000000, 0.0000000000000000 ] - [ 0.0000474500000000, -0.0001705900000000, 0.0000000000000000 ] - [ 0.0016458800000000, -0.0006566400000000, 0.0013283700000000 ] - [ 0.0016458800000000, -0.0006566400000000, -0.0013283700000000 ] - [ 0.0004198400000000, 0.0012503500000000, 0.0018107100000000 ] - [ 0.0004198400000000, 0.0012503500000000, -0.0018107100000000 ] - [ -0.0028213100000000, -0.0000697900000000, 0.0019163100000000 ] - [ -0.0028213100000000, -0.0000697900000000, -0.0019163100000000 ] - [ -0.0285348500000000, 0.0037674500000000, -0.0139813000000000 ] - [ 0.0003289300000000, -0.0006778300000000, -0.0001811500000000 ] - [ 0.0005951500000000, 0.0006082900000000, 0.0005926200000000 ] - [ -0.0000302500000000, 0.0031339800000000, -0.0002442600000000 ] - [ -0.0008966400000000, 0.0003444600000000, 0.0006723400000000 ] - [ -0.0025564200000000, -0.0003464600000000, 0.0000921100000000 ] - [ -0.0025564200000000, -0.0003464600000000, -0.0000921100000000 ] - [ -0.0008966400000000, 0.0003444600000000, -0.0006723400000000 ] - [ -0.0000302500000000, 0.0031339800000000, 0.0002442600000000 ] - [ 0.0005951500000000, 0.0006082900000000, -0.0005926200000000 ] - [ 0.0003289300000000, -0.0006778300000000, 0.0001811500000000 ] - [ -0.0285348500000000, 0.0037674500000000, 0.0139813000000000 ] - [ 0.0011497600000000, -0.0005667900000000, 0.0020586000000000 ] - [ 0.0000182200000000, 0.0010425000000000, -0.0004086800000000 ] - [ -0.0002981700000000, -0.0009466300000000, 0.0007340700000000 ] - [ 0.0014810100000000, 0.0012462600000000, -0.0030887400000000 ] - [ 0.0004733100000000, -0.0004106600000000, -0.0004072200000000 ] - [ -0.0027244300000000, -0.0002264300000000, 0.0012605200000000 ] - [ -0.0027244300000000, -0.0002264300000000, -0.0012605200000000 ] - [ 0.0004733100000000, -0.0004106600000000, 0.0004072200000000 ] - [ 0.0014810100000000, 0.0012462600000000, 0.0030887400000000 ] - [ -0.0002981700000000, -0.0009466300000000, -0.0007340700000000 ] - [ 0.0000182200000000, 0.0010425000000000, 0.0004086800000000 ] - [ 0.0011497600000000, -0.0005667900000000, -0.0020586000000000 ] - [ -0.0004319800000000, -0.0018359400000000, -0.0007739200000000 ] - [ -0.0004319800000000, -0.0018359400000000, 0.0007739200000000 ] - [ 0.0011522000000000, -0.0113057600000000, 0.0000000000000000 ] - [ 0.0000121500000000, -0.0007724200000000, 0.0000000000000000 ] - [ 0.0102025200000000, 0.0031036800000000, 0.0000000000000000 ] - [ 0.0009783500000000, 0.0001166500000000, 0.0000000000000000 ] - [ -0.0034955400000000, -0.0000892900000000, -0.0015152500000000 ] - [ -0.0034955400000000, -0.0000892900000000, 0.0015152500000000 ] - [ 0.0006837100000000, -0.0020095000000000, -0.0022073100000000 ] - [ 0.0006837100000000, -0.0020095000000000, 0.0022073100000000 ] - [ 0.0042726300000000, 0.0001284400000000, 0.0012331600000000 ] - [ 0.0042726300000000, 0.0001284400000000, -0.0012331600000000 ] - [ -0.2767218500000000, 0.0698602200000000, 0.0000000000000000 ] - [ -0.0013660300000000, 0.0001531600000000, 0.0000000000000000 ] - [ -0.0033165500000000, 0.0002686300000000, -0.0025374300000000 ] - [ 0.0000210700000000, 0.0001072100000000, 0.0012117800000000 ] - [ 0.0029701000000000, -0.0056302700000000, 0.0042943200000000 ] - [ 0.0000041900000000, -0.0005506600000000, 0.0001504400000000 ] - [ 0.0000210700000000, 0.0001072100000000, -0.0012117800000000 ] - [ -0.0033165500000000, 0.0002686300000000, 0.0025374300000000 ] - [ 0.0105806300000000, 0.0019829600000000, 0.0000000000000000 ] - [ -0.0014201900000000, -0.0000280500000000, 0.0000000000000000 ] - [ -0.0048122400000000, 0.0023568400000000, 0.0000000000000000 ] - [ 0.0007821000000000, -0.0013222000000000, 0.0000000000000000 ] - [ -0.0059243200000000, -0.0005160100000000, 0.0000000000000000 ] - [ 0.0006100400000000, 0.0014853700000000, 0.0000000000000000 ] - [ 0.0014422100000000, 0.0002211600000000, -0.0004870200000000 ] - [ 0.0014422100000000, 0.0002211600000000, 0.0004870200000000 ] - [ -0.0023743200000000, 0.0042260100000000, 0.0055373300000000 ] - [ -0.0023743200000000, 0.0042260100000000, -0.0055373300000000 ] - [ -0.0002630500000000, -0.0007837900000000, 0.0000479900000000 ] - [ -0.0002630500000000, -0.0007837900000000, -0.0000479900000000 ] - [ 0.0000041900000000, -0.0005506600000000, -0.0001504400000000 ] - [ 0.0029701000000000, -0.0056302700000000, -0.0042943200000000 ]- atom: 1 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.2718833300000000, -0.1363075700000000, 0.0000000000000000 ] - [ 0.0012777900000000, -0.0000974700000000, 0.0000000000000000 ] - [ -0.0097756400000000, 0.0075988800000000, 0.0000000000000000 ] - [ -0.0008739100000000, 0.0008258900000000, 0.0000000000000000 ] - [ -0.0016860300000000, -0.0030583600000000, 0.0000000000000000 ] - [ -0.0002767600000000, -0.0009667700000000, 0.0000000000000000 ] - [ -0.0002127200000000, 0.0000115900000000, -0.0013801800000000 ] - [ -0.0002127200000000, 0.0000115900000000, 0.0013801800000000 ] - [ -0.0009119300000000, 0.0022791900000000, 0.0003864500000000 ] - [ -0.0009119300000000, 0.0022791900000000, -0.0003864500000000 ] - [ -0.0011172200000000, 0.0003971000000000, -0.0010897500000000 ] - [ -0.0011172200000000, 0.0003971000000000, 0.0010897500000000 ] - [ -0.0326994000000000, 0.0318967700000000, 0.0000000000000000 ] - [ 0.0001134400000000, 0.0003543500000000, 0.0000000000000000 ] - [ -0.0033872600000000, 0.0050367200000000, 0.0000000000000000 ] - [ -0.0006332000000000, 0.0000627200000000, 0.0000000000000000 ] - [ -0.0039861700000000, 0.0014150600000000, 0.0000000000000000 ] - [ 0.0001742500000000, -0.0002068700000000, 0.0000000000000000 ] - [ 0.0005379200000000, -0.0015560900000000, 0.0000715400000000 ] - [ 0.0005379200000000, -0.0015560900000000, -0.0000715400000000 ] - [ -0.0008227000000000, 0.0000013900000000, 0.0015877900000000 ] - [ -0.0008227000000000, 0.0000013900000000, -0.0015877900000000 ] - [ -0.0013216000000000, -0.0000359800000000, 0.0011265500000000 ] - [ -0.0013216000000000, -0.0000359800000000, -0.0011265500000000 ] - [ -0.0118035200000000, -0.0081756900000000, -0.0055599000000000 ] - [ 0.0001977100000000, -0.0009436500000000, -0.0004677500000000 ] - [ 0.0005273100000000, 0.0006976200000000, 0.0005796000000000 ] - [ -0.0005699100000000, 0.0038355400000000, 0.0000601500000000 ] - [ -0.0007634400000000, 0.0005285600000000, 0.0006765500000000 ] - [ -0.0010602000000000, 0.0026156700000000, 0.0002169700000000 ] - [ -0.0010602000000000, 0.0026156700000000, -0.0002169700000000 ] - [ -0.0007634400000000, 0.0005285600000000, -0.0006765500000000 ] - [ -0.0005699100000000, 0.0038355400000000, -0.0000601500000000 ] - [ 0.0005273100000000, 0.0006976200000000, -0.0005796000000000 ] - [ 0.0001977100000000, -0.0009436500000000, 0.0004677500000000 ] - [ -0.0118035200000000, -0.0081756900000000, 0.0055599000000000 ] - [ 0.0010722300000000, 0.0012234500000000, -0.0020401600000000 ] - [ 0.0000864700000000, 0.0010696600000000, 0.0008463100000000 ] - [ -0.0008187400000000, -0.0010661700000000, 0.0019094500000000 ] - [ -0.0010331300000000, 0.0037067800000000, -0.0094620400000000 ] - [ 0.0007900900000000, -0.0005817700000000, -0.0003597300000000 ] - [ -0.0008948200000000, -0.0004499000000000, 0.0006581700000000 ] - [ -0.0008948200000000, -0.0004499000000000, -0.0006581700000000 ] - [ 0.0007900900000000, -0.0005817700000000, 0.0003597300000000 ] - [ -0.0010331300000000, 0.0037067800000000, 0.0094620400000000 ] - [ -0.0008187400000000, -0.0010661700000000, -0.0019094500000000 ] - [ 0.0000864700000000, 0.0010696600000000, -0.0008463100000000 ] - [ 0.0010722300000000, 0.0012234500000000, 0.0020401600000000 ] - [ 0.0003581200000000, -0.0005532700000000, -0.0003691600000000 ] - [ 0.0003581200000000, -0.0005532700000000, 0.0003691600000000 ] - [ 0.0031399400000000, -0.0108608500000000, 0.0000000000000000 ] - [ 0.0003018800000000, -0.0007385600000000, 0.0000000000000000 ] - [ 0.0047257300000000, -0.0027366900000000, 0.0000000000000000 ] - [ 0.0006499100000000, -0.0001075200000000, 0.0000000000000000 ] - [ -0.0011900300000000, 0.0007544000000000, 0.0024393000000000 ] - [ -0.0011900300000000, 0.0007544000000000, -0.0024393000000000 ] - [ 0.0041610500000000, -0.0022810200000000, -0.0051940100000000 ] - [ 0.0041610500000000, -0.0022810200000000, 0.0051940100000000 ] - [ 0.0020888100000000, 0.0006380200000000, 0.0007563400000000 ] - [ 0.0020888100000000, 0.0006380200000000, -0.0007563400000000 ] - [ -0.2022038400000000, 0.1096483900000000, 0.0000000000000000 ] - [ -0.0008850000000000, 0.0005760900000000, 0.0000000000000000 ] - [ -0.0008895000000000, 0.0051698800000000, -0.0018010700000000 ] - [ -0.0000384000000000, 0.0006225200000000, 0.0007792200000000 ] - [ 0.0045422700000000, -0.0042751000000000, 0.0060884800000000 ] - [ 0.0003562300000000, -0.0005275000000000, 0.0001840000000000 ] - [ -0.0000384000000000, 0.0006225200000000, -0.0007792200000000 ] - [ -0.0008895000000000, 0.0051698800000000, 0.0018010700000000 ] - [ 0.0048152000000000, 0.0014925100000000, 0.0000000000000000 ] - [ -0.0015880600000000, -0.0000213600000000, 0.0000000000000000 ] - [ -0.0059990500000000, -0.0079784400000000, 0.0000000000000000 ] - [ 0.0008877600000000, -0.0015340900000000, 0.0000000000000000 ] - [ -0.0027090400000000, -0.0048519900000000, 0.0000000000000000 ] - [ 0.0006208300000000, 0.0013193600000000, 0.0000000000000000 ] - [ 0.0005316600000000, -0.0009687700000000, -0.0001400700000000 ] - [ 0.0005316600000000, -0.0009687700000000, 0.0001400700000000 ] - [ -0.0021422600000000, 0.0038299100000000, 0.0021701800000000 ] - [ -0.0021422600000000, 0.0038299100000000, -0.0021701800000000 ] - [ -0.0006031100000000, -0.0013464600000000, 0.0003405800000000 ] - [ -0.0006031100000000, -0.0013464600000000, -0.0003405800000000 ] - [ 0.0003562300000000, -0.0005275000000000, -0.0001840000000000 ] - [ 0.0045422700000000, -0.0042751000000000, -0.0060884800000000 ]- atom: 1 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.2823623500000000, 0.1393398500000000, 0.0000000000000000 ] - [ 0.0005750300000000, 0.0004893200000000, 0.0000000000000000 ] - [ 0.0084175500000000, -0.0061799300000000, 0.0000000000000000 ] - [ -0.0003944000000000, 0.0005806600000000, 0.0000000000000000 ] - [ 0.0011529200000000, 0.0012910400000000, 0.0000000000000000 ] - [ -0.0003019900000000, -0.0008314600000000, 0.0000000000000000 ] - [ -0.0013621900000000, -0.0000811600000000, 0.0013859900000000 ] - [ -0.0013621900000000, -0.0000811600000000, -0.0013859900000000 ] - [ 0.0017595800000000, -0.0035940300000000, -0.0003783300000000 ] - [ 0.0017595800000000, -0.0035940300000000, 0.0003783300000000 ] - [ 0.0018276400000000, 0.0010019400000000, 0.0010887100000000 ] - [ 0.0018276400000000, 0.0010019400000000, -0.0010887100000000 ] - [ 0.0336702000000000, -0.0319401200000000, 0.0000000000000000 ] - [ 0.0000740800000000, 0.0004593400000000, 0.0000000000000000 ] - [ 0.0025864300000000, -0.0052948500000000, 0.0000000000000000 ] - [ -0.0001607400000000, -0.0003031100000000, 0.0000000000000000 ] - [ 0.0046077700000000, -0.0019665400000000, 0.0000000000000000 ] - [ 0.0004352500000000, -0.0003670600000000, 0.0000000000000000 ] - [ -0.0020786300000000, 0.0017933900000000, -0.0000925400000000 ] - [ -0.0020786300000000, 0.0017933900000000, 0.0000925400000000 ] - [ 0.0013880900000000, -0.0014554300000000, -0.0015856600000000 ] - [ 0.0013880900000000, -0.0014554300000000, 0.0015856600000000 ] - [ 0.0022776200000000, 0.0012599100000000, -0.0011226600000000 ] - [ 0.0022776200000000, 0.0012599100000000, 0.0011226600000000 ] - [ 0.0119226300000000, 0.0065174000000000, 0.0042708400000000 ] - [ -0.0000477000000000, -0.0008599000000000, -0.0008304200000000 ] - [ 0.0009595500000000, 0.0003359100000000, 0.0007216600000000 ] - [ 0.0020482200000000, -0.0028060800000000, 0.0012257400000000 ] - [ -0.0008759500000000, 0.0002417800000000, 0.0006240900000000 ] - [ -0.0005716600000000, -0.0018200500000000, 0.0010758800000000 ] - [ -0.0005716600000000, -0.0018200500000000, -0.0010758800000000 ] - [ -0.0008759500000000, 0.0002417800000000, -0.0006240900000000 ] - [ 0.0020482200000000, -0.0028060800000000, -0.0012257400000000 ] - [ 0.0009595500000000, 0.0003359100000000, -0.0007216600000000 ] - [ -0.0000477000000000, -0.0008599000000000, 0.0008304200000000 ] - [ 0.0119226300000000, 0.0065174000000000, -0.0042708400000000 ] - [ -0.0015283700000000, 0.0015356800000000, 0.0023394700000000 ] - [ -0.0005393300000000, 0.0016761500000000, -0.0005366300000000 ] - [ -0.0013288400000000, -0.0007017800000000, -0.0022069300000000 ] - [ -0.0010949300000000, -0.0054527000000000, 0.0090879400000000 ] - [ 0.0018125300000000, -0.0003951300000000, 0.0000514100000000 ] - [ 0.0034926000000000, -0.0005272900000000, -0.0009572400000000 ] - [ 0.0034926000000000, -0.0005272900000000, 0.0009572400000000 ] - [ 0.0018125300000000, -0.0003951300000000, -0.0000514100000000 ] - [ -0.0010949300000000, -0.0054527000000000, -0.0090879400000000 ] - [ -0.0013288400000000, -0.0007017800000000, 0.0022069300000000 ] - [ -0.0005393300000000, 0.0016761500000000, 0.0005366300000000 ] - [ -0.0015283700000000, 0.0015356800000000, -0.0023394700000000 ] - [ -0.0003569600000000, 0.0005538900000000, 0.0003697100000000 ] - [ -0.0003569600000000, 0.0005538900000000, -0.0003697100000000 ] - [ -0.0034322500000000, 0.0099627800000000, 0.0000000000000000 ] - [ -0.0006171500000000, -0.0001772000000000, 0.0000000000000000 ] - [ -0.0037962900000000, 0.0028759200000000, 0.0000000000000000 ] - [ 0.0002965800000000, 0.0002850400000000, 0.0000000000000000 ] - [ 0.0005518300000000, -0.0028587000000000, -0.0024276000000000 ] - [ 0.0005518300000000, -0.0028587000000000, 0.0024276000000000 ] - [ -0.0020147000000000, 0.0027531300000000, 0.0051826700000000 ] - [ -0.0020147000000000, 0.0027531300000000, -0.0051826700000000 ] - [ -0.0035403700000000, 0.0009595800000000, -0.0007489300000000 ] - [ -0.0035403700000000, 0.0009595800000000, 0.0007489300000000 ] - [ 0.2132727400000000, -0.1113941000000000, 0.0000000000000000 ] - [ 0.0002467400000000, 0.0001543100000000, 0.0000000000000000 ] - [ 0.0007876000000000, -0.0051674700000000, 0.0024035400000000 ] - [ 0.0000371600000000, -0.0006187600000000, -0.0002519900000000 ] - [ -0.0045663400000000, 0.0042572000000000, -0.0050010900000000 ] - [ -0.0003569300000000, 0.0005245300000000, 0.0009512800000000 ] - [ 0.0000371600000000, -0.0006187600000000, 0.0002519900000000 ] - [ 0.0007876000000000, -0.0051674700000000, -0.0024035400000000 ] - [ -0.0082596700000000, -0.0015501300000000, 0.0000000000000000 ] - [ -0.0018898500000000, -0.0000505400000000, 0.0000000000000000 ] - [ 0.0078622200000000, 0.0049733000000000, 0.0000000000000000 ] - [ 0.0009180300000000, -0.0014446400000000, 0.0000000000000000 ] - [ 0.0044198200000000, 0.0082012300000000, 0.0000000000000000 ] - [ 0.0010583000000000, 0.0017376400000000, 0.0000000000000000 ] - [ 0.0025809900000000, -0.0005746600000000, 0.0001370400000000 ] - [ 0.0025809900000000, -0.0005746600000000, -0.0001370400000000 ] - [ 0.0019145300000000, -0.0003409900000000, -0.0021501800000000 ] - [ 0.0019145300000000, -0.0003409900000000, 0.0021501800000000 ] - [ -0.0022871700000000, -0.0005817400000000, -0.0003463400000000 ] - [ -0.0022871700000000, -0.0005817400000000, 0.0003463400000000 ] - [ -0.0003569300000000, 0.0005245300000000, -0.0009512800000000 ] - [ -0.0045663400000000, 0.0042572000000000, 0.0050010900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020043600000000, -0.0001952600000000, -0.0822262000000000 ] - [ 0.0009387200000000, 0.0001926500000000, 0.0013667900000000 ] - [ -0.0006444100000000, 0.0007307900000000, -0.0027648000000000 ] - [ -0.0006368500000000, 0.0007155800000000, 0.0011450700000000 ] - [ -0.0003098700000000, -0.0009184500000000, -0.0027645700000000 ] - [ -0.0002997300000000, -0.0009072900000000, 0.0011454100000000 ] - [ -0.0000019300000000, -0.0010325100000000, 0.0004251700000000 ] - [ -0.0015228600000000, 0.0009448300000000, 0.0004325900000000 ] - [ -0.0003718600000000, 0.0012823700000000, 0.0009426200000000 ] - [ 0.0012053100000000, -0.0025494500000000, 0.0009425700000000 ] - [ 0.0004126600000000, 0.0003084100000000, 0.0006760300000000 ] - [ 0.0002647500000000, 0.0010580400000000, 0.0006873400000000 ] - [ 0.0000312600000000, 0.0004751100000000, -0.0122732100000000 ] - [ 0.0000907700000000, 0.0004165000000000, 0.0010687400000000 ] - [ -0.0004006800000000, -0.0001189800000000, -0.0013130300000000 ] - [ -0.0004042700000000, -0.0001292800000000, 0.0010095400000000 ] - [ 0.0003006700000000, -0.0002843100000000, -0.0016229700000000 ] - [ 0.0003155800000000, -0.0002884000000000, 0.0009602900000000 ] - [ -0.0008286100000000, -0.0018344900000000, 0.0034358300000000 ] - [ -0.0007012500000000, 0.0020275500000000, 0.0033952000000000 ] - [ -0.0004279100000000, 0.0001883300000000, 0.0014625600000000 ] - [ 0.0010093900000000, -0.0016083900000000, 0.0014530400000000 ] - [ -0.0007654200000000, 0.0000448300000000, 0.0013125200000000 ] - [ 0.0016864100000000, 0.0011808000000000, 0.0013041200000000 ] - [ 0.0268644000000000, -0.0027708100000000, -0.0027533500000000 ] - [ 0.0001927500000000, -0.0006033500000000, 0.0011850600000000 ] - [ 0.0010020900000000, 0.0004174700000000, 0.0020386700000000 ] - [ 0.0003748000000000, 0.0006212100000000, -0.0008539800000000 ] - [ -0.0008915000000000, 0.0006830100000000, 0.0020862100000000 ] - [ -0.0007064500000000, -0.0001252500000000, -0.0010301100000000 ] - [ -0.0009473400000000, 0.0009060700000000, -0.0023590700000000 ] - [ -0.0007533900000000, 0.0001023700000000, 0.0007621500000000 ] - [ 0.0011304100000000, 0.0004212600000000, -0.0021793400000000 ] - [ 0.0005011600000000, 0.0006104800000000, 0.0007157100000000 ] - [ -0.0000537600000000, -0.0012109500000000, 0.0025088700000000 ] - [ -0.0265483600000000, 0.0010034400000000, -0.0014028500000000 ] - [ -0.0004758000000000, -0.0009811400000000, 0.0006677500000000 ] - [ 0.0001780000000000, 0.0023559500000000, 0.0020039100000000 ] - [ -0.0009714100000000, -0.0007386000000000, 0.0023670700000000 ] - [ -0.0000506200000000, -0.0069669000000000, 0.0057467000000000 ] - [ 0.0010448100000000, -0.0001168600000000, 0.0011311200000000 ] - [ 0.0014055800000000, -0.0007707200000000, -0.0003423300000000 ] - [ 0.0011697500000000, -0.0002161000000000, -0.0000549500000000 ] - [ 0.0015495000000000, -0.0008737100000000, 0.0014294600000000 ] - [ -0.0021012300000000, 0.0053011500000000, 0.0061037500000000 ] - [ -0.0011831500000000, -0.0010150400000000, 0.0026571800000000 ] - [ -0.0006208600000000, 0.0003792600000000, 0.0017152200000000 ] - [ 0.0000361700000000, 0.0037048300000000, 0.0003739800000000 ] - [ 0.0006305100000000, 0.0007898400000000, 0.0005639800000000 ] - [ -0.0006295200000000, -0.0007916800000000, 0.0005696800000000 ] - [ -0.0001593900000000, -0.0004766900000000, 0.0023621400000000 ] - [ -0.0001576300000000, -0.0004564900000000, -0.0021933000000000 ] - [ 0.0004915700000000, 0.0000930200000000, 0.0022113100000000 ] - [ 0.0004728400000000, 0.0000882300000000, -0.0022237100000000 ] - [ -0.0007676700000000, 0.0029983600000000, -0.0024497300000000 ] - [ 0.0001141200000000, -0.0050433600000000, -0.0024469000000000 ] - [ 0.0031030700000000, -0.0013418500000000, -0.0042703900000000 ] - [ -0.0009724600000000, 0.0018093100000000, -0.0042630100000000 ] - [ 0.0000034100000000, 0.0001618300000000, -0.0015002100000000 ] - [ -0.0014402100000000, 0.0014302100000000, -0.0015035600000000 ] - [ -0.0011063400000000, 0.0005862600000000, 0.0610101100000000 ] - [ -0.0003195500000000, 0.0003641000000000, -0.0027510500000000 ] - [ -0.0018425800000000, 0.0000713500000000, 0.0085118600000000 ] - [ -0.0005012800000000, 0.0000474700000000, -0.0022702600000000 ] - [ -0.0003426200000000, 0.0015354200000000, 0.0022728000000000 ] - [ 0.0000340800000000, -0.0000026000000000, -0.0012833600000000 ] - [ 0.0005075700000000, -0.0000490200000000, -0.0028028500000000 ] - [ 0.0014887200000000, -0.0000930300000000, 0.0077377900000000 ] - [ -0.0017113300000000, -0.0000348100000000, 0.0066342600000000 ] - [ -0.0017390100000000, -0.0000412100000000, -0.0019697100000000 ] - [ 0.0008834100000000, -0.0014910900000000, 0.0042344400000000 ] - [ 0.0009049000000000, -0.0014847100000000, -0.0022395700000000 ] - [ 0.0008248800000000, 0.0015424600000000, 0.0078063700000000 ] - [ 0.0008348600000000, 0.0015289100000000, -0.0024628400000000 ] - [ 0.0019210400000000, -0.0008835100000000, -0.0003060400000000 ] - [ 0.0011867300000000, -0.0006443700000000, -0.0003093300000000 ] - [ -0.0013941600000000, 0.0005318600000000, -0.0037794100000000 ] - [ 0.0011427900000000, 0.0029304900000000, -0.0038046000000000 ] - [ -0.0015551100000000, -0.0012056600000000, -0.0002318300000000 ] - [ -0.0013215700000000, -0.0007197900000000, -0.0002367900000000 ] - [ -0.0000370600000000, -0.0000007000000000, -0.0024221800000000 ] - [ 0.0003632000000000, -0.0015646200000000, 0.0010884500000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0008885400000000, -0.0001856300000000, 0.0007615800000000 ] - [ -0.0008885400000000, -0.0001856300000000, -0.0007615800000000 ] - [ -0.0004797900000000, -0.0005402100000000, 0.0002933000000000 ] - [ -0.0004797900000000, -0.0005402100000000, -0.0002933000000000 ] - [ 0.0029259900000000, -0.0007082100000000, 0.0020501700000000 ] - [ 0.0029259900000000, -0.0007082100000000, -0.0020501700000000 ] - [ -0.3897578700000000, 0.1184746600000000, 0.0000000000000000 ] - [ -0.0014517700000000, 0.0000389000000000, 0.0000000000000000 ] - [ 0.0105371900000000, -0.0127062100000000, 0.0000000000000000 ] - [ 0.0005299100000000, -0.0008512200000000, 0.0000000000000000 ] - [ 0.0150673700000000, 0.0100906200000000, 0.0000000000000000 ] - [ 0.0005753400000000, 0.0008204100000000, 0.0000000000000000 ] - [ -0.0026996500000000, 0.0010692800000000, -0.0012719300000000 ] - [ -0.0026996500000000, 0.0010692800000000, 0.0012719300000000 ] - [ -0.0013063700000000, -0.0024366600000000, -0.0018961900000000 ] - [ -0.0013063700000000, -0.0024366600000000, 0.0018961900000000 ] - [ 0.0041262300000000, 0.0004166900000000, -0.0024591500000000 ] - [ 0.0041262300000000, 0.0004166900000000, 0.0024591500000000 ] - [ 0.0068493900000000, -0.0169743200000000, 0.0000000000000000 ] - [ -0.0010351600000000, -0.0001640700000000, 0.0000000000000000 ] - [ 0.0002434400000000, -0.0049484800000000, 0.0000000000000000 ] - [ 0.0002673200000000, -0.0009149800000000, 0.0000000000000000 ] - [ 0.0085798500000000, -0.0011452700000000, 0.0000000000000000 ] - [ 0.0008353500000000, 0.0004805900000000, 0.0000000000000000 ] - [ -0.0012149000000000, 0.0007183700000000, -0.0019111200000000 ] - [ -0.0002858400000000, -0.0007690100000000, -0.0001975700000000 ] - [ -0.0020399300000000, -0.0001424300000000, 0.0016208200000000 ] - [ -0.0002347000000000, 0.0008446400000000, 0.0002261100000000 ] - [ 0.0026729100000000, 0.0003451800000000, -0.0000459100000000 ] - [ 0.0000523800000000, 0.0003920600000000, 0.0007643800000000 ] - [ 0.0026729100000000, 0.0003451800000000, 0.0000459100000000 ] - [ 0.0000523800000000, 0.0003920600000000, -0.0007643800000000 ] - [ -0.0020399300000000, -0.0001424300000000, -0.0016208200000000 ] - [ -0.0002347000000000, 0.0008446400000000, -0.0002261100000000 ] - [ -0.0012149000000000, 0.0007183700000000, 0.0019111200000000 ] - [ -0.0002858400000000, -0.0007690100000000, 0.0001975700000000 ] - [ 0.0292305900000000, -0.0048527100000000, 0.0181552300000000 ] - [ -0.0004296000000000, 0.0010884900000000, -0.0006548500000000 ] - [ -0.0001554500000000, -0.0045307800000000, 0.0008453000000000 ] - [ -0.0010278000000000, -0.0010441700000000, -0.0001748000000000 ] - [ 0.0035783600000000, 0.0008363000000000, 0.0005188500000000 ] - [ 0.0015000200000000, -0.0004852200000000, -0.0002847600000000 ] - [ 0.0035783600000000, 0.0008363000000000, -0.0005188500000000 ] - [ 0.0015000200000000, -0.0004852200000000, 0.0002847600000000 ] - [ -0.0001554500000000, -0.0045307800000000, -0.0008453000000000 ] - [ -0.0010278000000000, -0.0010441700000000, 0.0001748000000000 ] - [ 0.0292305900000000, -0.0048527100000000, -0.0181552300000000 ] - [ -0.0004296000000000, 0.0010884900000000, 0.0006548500000000 ] - [ 0.0000872300000000, 0.0036360600000000, 0.0000000000000000 ] - [ 0.0000052200000000, 0.0002346100000000, 0.0000000000000000 ] - [ 0.0017948800000000, 0.0014356800000000, 0.0010240700000000 ] - [ 0.0017948800000000, 0.0014356800000000, -0.0010240700000000 ] - [ -0.0052293200000000, 0.0001571400000000, -0.0007543700000000 ] - [ -0.0052293200000000, 0.0001571400000000, 0.0007543700000000 ] - [ 0.2800766500000000, -0.0873492600000000, 0.0000000000000000 ] - [ 0.0008907800000000, -0.0007670200000000, 0.0000000000000000 ] - [ -0.0002448600000000, 0.0138449900000000, 0.0000000000000000 ] - [ 0.0010674000000000, 0.0005561700000000, 0.0000000000000000 ] - [ -0.0124099700000000, -0.0041007200000000, 0.0000000000000000 ] - [ -0.0013114500000000, 0.0008835700000000, 0.0000000000000000 ] - [ 0.0027878700000000, -0.0003668900000000, 0.0009267300000000 ] - [ 0.0027878700000000, -0.0003668900000000, -0.0009267300000000 ] - [ -0.0039524400000000, 0.0062070000000000, -0.0029799700000000 ] - [ -0.0000919100000000, 0.0005806300000000, 0.0007471000000000 ] - [ 0.0103452500000000, -0.0006506300000000, -0.0023885100000000 ] - [ 0.0001897600000000, -0.0000485300000000, -0.0004486600000000 ] - [ -0.0039524400000000, 0.0062070000000000, 0.0029799700000000 ] - [ -0.0000919100000000, 0.0005806300000000, -0.0007471000000000 ] - [ -0.0021594300000000, -0.0006936100000000, 0.0004949800000000 ] - [ -0.0021594300000000, -0.0006936100000000, -0.0004949800000000 ] - [ 0.0038492200000000, -0.0035362200000000, -0.0070223500000000 ] - [ 0.0038492200000000, -0.0035362200000000, 0.0070223500000000 ] - [ 0.0001025200000000, 0.0017992400000000, 0.0001040100000000 ] - [ 0.0001025200000000, 0.0017992400000000, -0.0001040100000000 ] - [ -0.0075311900000000, -0.0050464100000000, 0.0000000000000000 ] - [ 0.0012556800000000, -0.0009688900000000, 0.0000000000000000 ] - [ 0.0027161000000000, -0.0003760400000000, 0.0000000000000000 ] - [ -0.0000183800000000, 0.0016621500000000, 0.0000000000000000 ] - [ 0.0035791300000000, -0.0031073500000000, 0.0000000000000000 ] - [ -0.0013233100000000, -0.0011020500000000, 0.0000000000000000 ] - [ 0.0103452500000000, -0.0006506300000000, 0.0023885100000000 ] - [ 0.0001897600000000, -0.0000485300000000, 0.0004486600000000 ]- atom: 7 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0027125900000000, 0.0005858800000000, -0.0007599400000000 ] - [ 0.0027125900000000, 0.0005858800000000, 0.0007599400000000 ] - [ -0.0007877100000000, 0.0019203500000000, -0.0002851400000000 ] - [ -0.0007877100000000, 0.0019203500000000, 0.0002851400000000 ] - [ -0.0034797500000000, -0.0010551200000000, -0.0020594000000000 ] - [ -0.0034797500000000, -0.0010551200000000, 0.0020594000000000 ] - [ 0.4057906800000000, -0.1269390500000000, 0.0000000000000000 ] - [ -0.0001169900000000, -0.0001125500000000, 0.0000000000000000 ] - [ -0.0095769200000000, 0.0112820900000000, 0.0000000000000000 ] - [ 0.0003169600000000, -0.0004712800000000, 0.0000000000000000 ] - [ -0.0142101600000000, -0.0085997900000000, 0.0000000000000000 ] - [ 0.0001384800000000, 0.0005690900000000, 0.0000000000000000 ] - [ 0.0028863100000000, -0.0002929500000000, 0.0012948100000000 ] - [ 0.0028863100000000, -0.0002929500000000, -0.0012948100000000 ] - [ 0.0005104300000000, 0.0021939000000000, 0.0018906200000000 ] - [ 0.0005104300000000, 0.0021939000000000, -0.0018906200000000 ] - [ -0.0035304800000000, -0.0009675800000000, 0.0024400400000000 ] - [ -0.0035304800000000, -0.0009675800000000, -0.0024400400000000 ] - [ -0.0082737100000000, 0.0172724600000000, 0.0000000000000000 ] - [ -0.0005085700000000, 0.0003949000000000, 0.0000000000000000 ] - [ 0.0003150900000000, 0.0034897400000000, 0.0000000000000000 ] - [ 0.0003035800000000, -0.0005336300000000, 0.0000000000000000 ] - [ -0.0075944200000000, 0.0023780200000000, 0.0000000000000000 ] - [ 0.0001225700000000, 0.0007481400000000, 0.0000000000000000 ] - [ 0.0013747100000000, -0.0025232800000000, 0.0006538700000000 ] - [ 0.0004512800000000, -0.0010295000000000, -0.0010815800000000 ] - [ 0.0035029600000000, 0.0012254000000000, -0.0004111000000000 ] - [ 0.0017047300000000, 0.0001942700000000, 0.0010619700000000 ] - [ -0.0043138700000000, 0.0004000800000000, 0.0013253500000000 ] - [ -0.0016932800000000, 0.0003525800000000, 0.0005022800000000 ] - [ -0.0043138700000000, 0.0004000800000000, -0.0013253500000000 ] - [ -0.0016932800000000, 0.0003525800000000, -0.0005022800000000 ] - [ 0.0035029600000000, 0.0012254000000000, 0.0004111000000000 ] - [ 0.0017047300000000, 0.0001942700000000, -0.0010619700000000 ] - [ 0.0013747100000000, -0.0025232800000000, -0.0006538700000000 ] - [ 0.0004512800000000, -0.0010295000000000, 0.0010815800000000 ] - [ -0.0302227400000000, 0.0077173500000000, -0.0182436800000000 ] - [ -0.0000196700000000, 0.0016520400000000, 0.0009721600000000 ] - [ -0.0019932800000000, 0.0027501000000000, -0.0011584800000000 ] - [ -0.0011222500000000, -0.0007191200000000, -0.0001423200000000 ] - [ -0.0009732100000000, -0.0017908800000000, -0.0008278300000000 ] - [ 0.0011008700000000, -0.0004903600000000, -0.0000299100000000 ] - [ -0.0009732100000000, -0.0017908800000000, 0.0008278300000000 ] - [ 0.0011008700000000, -0.0004903600000000, 0.0000299100000000 ] - [ -0.0019932800000000, 0.0027501000000000, 0.0011584800000000 ] - [ -0.0011222500000000, -0.0007191200000000, 0.0001423200000000 ] - [ -0.0302227400000000, 0.0077173500000000, 0.0182436800000000 ] - [ -0.0000196700000000, 0.0016520400000000, -0.0009721600000000 ] - [ -0.0000587500000000, -0.0036470800000000, 0.0000000000000000 ] - [ 0.0000002500000000, -0.0002332800000000, 0.0000000000000000 ] - [ -0.0020618200000000, -0.0023571200000000, -0.0010631200000000 ] - [ -0.0020618200000000, -0.0023571200000000, 0.0010631200000000 ] - [ 0.0061737300000000, 0.0000305800000000, 0.0007685200000000 ] - [ 0.0061737300000000, 0.0000305800000000, -0.0007685200000000 ] - [ -0.2986840100000000, 0.0934747900000000, 0.0000000000000000 ] - [ -0.0015500900000000, -0.0013211400000000, 0.0000000000000000 ] - [ 0.0024068900000000, -0.0133268600000000, 0.0000000000000000 ] - [ 0.0010771400000000, -0.0000896200000000, 0.0000000000000000 ] - [ 0.0109477100000000, 0.0056814500000000, 0.0000000000000000 ] - [ -0.0001464400000000, 0.0007211100000000, 0.0000000000000000 ] - [ -0.0034346000000000, 0.0011138600000000, -0.0009483300000000 ] - [ -0.0034346000000000, 0.0011138600000000, 0.0009483300000000 ] - [ 0.0039458100000000, -0.0062305000000000, 0.0034931300000000 ] - [ 0.0000913800000000, -0.0005871000000000, -0.0002221000000000 ] - [ -0.0098094900000000, 0.0005928800000000, 0.0029185000000000 ] - [ -0.0001837500000000, 0.0000467400000000, 0.0015759600000000 ] - [ 0.0039458100000000, -0.0062305000000000, -0.0034931300000000 ] - [ 0.0000913800000000, -0.0005871000000000, 0.0002221000000000 ] - [ -0.0013187800000000, 0.0006242500000000, -0.0004969900000000 ] - [ -0.0013187800000000, 0.0006242500000000, 0.0004969900000000 ] - [ -0.0020936800000000, 0.0005610600000000, 0.0070295500000000 ] - [ -0.0020936800000000, 0.0005610600000000, -0.0070295500000000 ] - [ 0.0015909700000000, 0.0012623400000000, -0.0001033900000000 ] - [ 0.0015909700000000, 0.0012623400000000, 0.0001033900000000 ] - [ 0.0106526300000000, 0.0035251800000000, 0.0000000000000000 ] - [ 0.0018633400000000, -0.0005729600000000, 0.0000000000000000 ] - [ -0.0029254800000000, 0.0038932100000000, 0.0000000000000000 ] - [ -0.0002111300000000, 0.0018120900000000, 0.0000000000000000 ] - [ -0.0065178400000000, 0.0010779100000000, 0.0000000000000000 ] - [ -0.0015756300000000, -0.0008333100000000, 0.0000000000000000 ] - [ -0.0098094900000000, 0.0005928800000000, -0.0029185000000000 ] - [ -0.0001837500000000, 0.0000467400000000, -0.0015759600000000 ]- atom: 7 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0017194300000000, 0.0003829600000000, -0.0012389600000000 ] - [ 0.0017194300000000, 0.0003829600000000, 0.0012389600000000 ] - [ -0.0016305400000000, 0.0029598400000000, 0.0000704300000000 ] - [ -0.0016305400000000, 0.0029598400000000, -0.0000704300000000 ] - [ -0.0021443200000000, -0.0013452300000000, -0.0012645900000000 ] - [ -0.0021443200000000, -0.0013452300000000, 0.0012645900000000 ] - [ 0.3109997600000000, -0.1506923000000000, 0.0000000000000000 ] - [ -0.0003852400000000, -0.0002737200000000, 0.0000000000000000 ] - [ -0.0105059900000000, 0.0098782300000000, 0.0000000000000000 ] - [ 0.0002570900000000, -0.0005034600000000, 0.0000000000000000 ] - [ -0.0033116100000000, -0.0033937300000000, 0.0000000000000000 ] - [ 0.0003041800000000, 0.0005930100000000, 0.0000000000000000 ] - [ 0.0016702100000000, -0.0011464700000000, 0.0002678200000000 ] - [ 0.0016702100000000, -0.0011464700000000, -0.0002678200000000 ] - [ -0.0008756100000000, 0.0011421100000000, 0.0015974200000000 ] - [ -0.0008756100000000, 0.0011421100000000, -0.0015974200000000 ] - [ -0.0021472800000000, -0.0010067400000000, 0.0016547100000000 ] - [ -0.0021472800000000, -0.0010067400000000, -0.0016547100000000 ] - [ -0.0337833100000000, 0.0286577600000000, 0.0000000000000000 ] - [ -0.0006915100000000, 0.0001433200000000, 0.0000000000000000 ] - [ -0.0012190400000000, 0.0045347500000000, 0.0000000000000000 ] - [ 0.0001523900000000, -0.0005289400000000, 0.0000000000000000 ] - [ -0.0044274700000000, 0.0016217000000000, 0.0000000000000000 ] - [ 0.0002706600000000, 0.0006839700000000, 0.0000000000000000 ] - [ 0.0013131700000000, -0.0010502300000000, -0.0020544300000000 ] - [ 0.0004541900000000, -0.0011237100000000, -0.0000593700000000 ] - [ 0.0021276300000000, 0.0039199000000000, -0.0050843800000000 ] - [ 0.0010969900000000, 0.0002121600000000, 0.0023060700000000 ] - [ -0.0029518100000000, 0.0003293600000000, 0.0010509600000000 ] - [ -0.0013720900000000, 0.0003314200000000, 0.0005091700000000 ] - [ -0.0029518100000000, 0.0003293600000000, -0.0010509600000000 ] - [ -0.0013720900000000, 0.0003314200000000, -0.0005091700000000 ] - [ 0.0021276300000000, 0.0039199000000000, 0.0050843800000000 ] - [ 0.0010969900000000, 0.0002121600000000, -0.0023060700000000 ] - [ 0.0013131700000000, -0.0010502300000000, 0.0020544300000000 ] - [ 0.0004541900000000, -0.0011237100000000, 0.0000593700000000 ] - [ -0.0139220800000000, -0.0053287600000000, -0.0076372300000000 ] - [ -0.0001108500000000, 0.0013880500000000, 0.0005524600000000 ] - [ -0.0021275600000000, 0.0034177600000000, -0.0008375200000000 ] - [ -0.0012392400000000, -0.0006810000000000, -0.0002462900000000 ] - [ 0.0000470000000000, 0.0002255700000000, -0.0003042600000000 ] - [ 0.0012575300000000, -0.0003959900000000, -0.0001164600000000 ] - [ 0.0000470000000000, 0.0002255700000000, 0.0003042600000000 ] - [ 0.0012575300000000, -0.0003959900000000, 0.0001164600000000 ] - [ -0.0021275600000000, 0.0034177600000000, 0.0008375200000000 ] - [ -0.0012392400000000, -0.0006810000000000, 0.0002462900000000 ] - [ -0.0139220800000000, -0.0053287600000000, 0.0076372300000000 ] - [ -0.0001108500000000, 0.0013880500000000, -0.0005524600000000 ] - [ 0.0030511500000000, -0.0004384900000000, 0.0000000000000000 ] - [ 0.0002291500000000, -0.0000003800000000, 0.0000000000000000 ] - [ 0.0016140700000000, -0.0028766000000000, -0.0036797800000000 ] - [ 0.0016140700000000, -0.0028766000000000, 0.0036797800000000 ] - [ 0.0039836600000000, 0.0001296600000000, 0.0005497900000000 ] - [ 0.0039836600000000, 0.0001296600000000, -0.0005497900000000 ] - [ -0.2307706500000000, 0.1264908100000000, 0.0000000000000000 ] - [ -0.0010139100000000, -0.0009101500000000, 0.0000000000000000 ] - [ 0.0035580500000000, -0.0140490100000000, 0.0000000000000000 ] - [ 0.0013689000000000, -0.0000850800000000, 0.0000000000000000 ] - [ 0.0052479300000000, 0.0004758900000000, 0.0000000000000000 ] - [ -0.0004523400000000, 0.0006894000000000, 0.0000000000000000 ] - [ -0.0016499200000000, 0.0018960600000000, 0.0020120900000000 ] - [ -0.0016499200000000, 0.0018960600000000, -0.0020120900000000 ] - [ 0.0051635700000000, -0.0042674100000000, 0.0055832300000000 ] - [ 0.0003229000000000, -0.0004500900000000, -0.0001704400000000 ] - [ -0.0045874000000000, 0.0048004500000000, 0.0011943900000000 ] - [ -0.0001079200000000, 0.0004523000000000, 0.0011958500000000 ] - [ 0.0051635700000000, -0.0042674100000000, -0.0055832300000000 ] - [ 0.0003229000000000, -0.0004500900000000, 0.0001704400000000 ] - [ -0.0022609600000000, -0.0001523000000000, 0.0000311800000000 ] - [ -0.0022609600000000, -0.0001523000000000, -0.0000311800000000 ] - [ -0.0013585600000000, 0.0006900000000000, 0.0032474500000000 ] - [ -0.0013585600000000, 0.0006900000000000, -0.0032474500000000 ] - [ 0.0016267700000000, 0.0007910800000000, 0.0002523200000000 ] - [ 0.0016267700000000, 0.0007910800000000, -0.0002523200000000 ] - [ 0.0066084000000000, 0.0023679200000000, 0.0000000000000000 ] - [ 0.0017022400000000, -0.0006507100000000, 0.0000000000000000 ] - [ -0.0050192300000000, -0.0036877000000000, 0.0000000000000000 ] - [ -0.0001971800000000, 0.0015918600000000, 0.0000000000000000 ] - [ -0.0080685400000000, -0.0079323100000000, 0.0000000000000000 ] - [ -0.0017258600000000, -0.0010709400000000, 0.0000000000000000 ] - [ -0.0045874000000000, 0.0048004500000000, -0.0011943900000000 ] - [ -0.0001079200000000, 0.0004523000000000, -0.0011958500000000 ]- atom: 7 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0001140800000000, 0.0000094700000000, 0.0012337100000000 ] - [ 0.0001140800000000, 0.0000094700000000, -0.0012337100000000 ] - [ 0.0003725000000000, -0.0015771100000000, -0.0000753200000000 ] - [ 0.0003725000000000, -0.0015771100000000, 0.0000753200000000 ] - [ 0.0015903400000000, -0.0004342600000000, 0.0012677600000000 ] - [ 0.0015903400000000, -0.0004342600000000, -0.0012677600000000 ] - [ -0.2991871200000000, 0.1466633500000000, 0.0000000000000000 ] - [ -0.0011735600000000, 0.0001998600000000, 0.0000000000000000 ] - [ 0.0114840200000000, -0.0112263400000000, 0.0000000000000000 ] - [ 0.0005883800000000, -0.0008018300000000, 0.0000000000000000 ] - [ 0.0039681100000000, 0.0047627200000000, 0.0000000000000000 ] - [ 0.0004015700000000, 0.0007869600000000, 0.0000000000000000 ] - [ -0.0014804000000000, 0.0019188900000000, -0.0002462200000000 ] - [ -0.0014804000000000, 0.0019188900000000, 0.0002462200000000 ] - [ 0.0001031400000000, -0.0013635100000000, -0.0015991600000000 ] - [ 0.0001031400000000, -0.0013635100000000, 0.0015991600000000 ] - [ 0.0027399100000000, 0.0004469100000000, -0.0016623700000000 ] - [ 0.0027399100000000, 0.0004469100000000, 0.0016623700000000 ] - [ 0.0314952200000000, -0.0276428600000000, 0.0000000000000000 ] - [ -0.0008460600000000, 0.0000799200000000, 0.0000000000000000 ] - [ 0.0017796600000000, -0.0059626100000000, 0.0000000000000000 ] - [ 0.0004222700000000, -0.0009102600000000, 0.0000000000000000 ] - [ 0.0053703100000000, -0.0004192800000000, 0.0000000000000000 ] - [ 0.0006814900000000, 0.0005401500000000, 0.0000000000000000 ] - [ -0.0011415200000000, -0.0007596000000000, 0.0007869900000000 ] - [ -0.0002851600000000, -0.0006736600000000, -0.0012189000000000 ] - [ -0.0006752500000000, -0.0028832500000000, 0.0063918400000000 ] - [ 0.0003730100000000, 0.0008374000000000, -0.0010383600000000 ] - [ 0.0013135500000000, 0.0004228300000000, 0.0002215700000000 ] - [ -0.0002682200000000, 0.0004184100000000, 0.0007655600000000 ] - [ 0.0013135500000000, 0.0004228300000000, -0.0002215700000000 ] - [ -0.0002682200000000, 0.0004184100000000, -0.0007655600000000 ] - [ -0.0006752500000000, -0.0028832500000000, -0.0063918400000000 ] - [ 0.0003730100000000, 0.0008374000000000, 0.0010383600000000 ] - [ -0.0011415200000000, -0.0007596000000000, -0.0007869900000000 ] - [ -0.0002851600000000, -0.0006736600000000, 0.0012189000000000 ] - [ 0.0134634200000000, 0.0079064800000000, 0.0079238900000000 ] - [ -0.0003369600000000, 0.0013496900000000, -0.0002446400000000 ] - [ -0.0000145900000000, -0.0051661000000000, 0.0005412900000000 ] - [ -0.0009094900000000, -0.0010766400000000, -0.0000661300000000 ] - [ 0.0025433900000000, -0.0012163600000000, -0.0000056900000000 ] - [ 0.0013390300000000, -0.0005842400000000, -0.0001940500000000 ] - [ 0.0025433900000000, -0.0012163600000000, 0.0000056900000000 ] - [ 0.0013390300000000, -0.0005842400000000, 0.0001940500000000 ] - [ -0.0000145900000000, -0.0051661000000000, -0.0005412900000000 ] - [ -0.0009094900000000, -0.0010766400000000, 0.0000661300000000 ] - [ 0.0134634200000000, 0.0079064800000000, -0.0079238900000000 ] - [ -0.0003369600000000, 0.0013496900000000, 0.0002446400000000 ] - [ -0.0030559600000000, 0.0004572800000000, 0.0000000000000000 ] - [ -0.0002261600000000, 0.0000056400000000, 0.0000000000000000 ] - [ -0.0019332600000000, 0.0019512300000000, 0.0036854600000000 ] - [ -0.0019332600000000, 0.0019512300000000, -0.0036854600000000 ] - [ -0.0030378000000000, 0.0000539800000000, -0.0005513900000000 ] - [ -0.0030378000000000, 0.0000539800000000, 0.0005513900000000 ] - [ 0.2170940700000000, -0.1250554700000000, 0.0000000000000000 ] - [ 0.0003636900000000, -0.0011767500000000, 0.0000000000000000 ] - [ -0.0014186800000000, 0.0144979600000000, 0.0000000000000000 ] - [ 0.0007744000000000, 0.0005537800000000, 0.0000000000000000 ] - [ -0.0066856900000000, 0.0011637400000000, 0.0000000000000000 ] - [ -0.0010099600000000, 0.0009189000000000, 0.0000000000000000 ] - [ 0.0009979900000000, -0.0011385500000000, -0.0020227800000000 ] - [ 0.0009979900000000, -0.0011385500000000, 0.0020227800000000 ] - [ -0.0051317600000000, 0.0042843800000000, -0.0050184900000000 ] - [ -0.0003218700000000, 0.0004515100000000, 0.0006902500000000 ] - [ 0.0047410700000000, -0.0047732500000000, -0.0002035500000000 ] - [ 0.0001098600000000, -0.0004556600000000, -0.0000591700000000 ] - [ -0.0051317600000000, 0.0042843800000000, 0.0050184900000000 ] - [ -0.0003218700000000, 0.0004515100000000, -0.0006902500000000 ] - [ -0.0012184300000000, 0.0000983300000000, -0.0000306300000000 ] - [ -0.0012184300000000, 0.0000983300000000, 0.0000306300000000 ] - [ 0.0031465800000000, -0.0036917900000000, -0.0032709200000000 ] - [ 0.0031465800000000, -0.0036917900000000, 0.0032709200000000 ] - [ 0.0000663600000000, 0.0022615800000000, -0.0002437100000000 ] - [ 0.0000663600000000, 0.0022615800000000, 0.0002437100000000 ] - [ -0.0035021900000000, -0.0039401500000000, 0.0000000000000000 ] - [ 0.0014268500000000, -0.0009000600000000, 0.0000000000000000 ] - [ 0.0047544000000000, 0.0071821200000000, 0.0000000000000000 ] - [ -0.0000303700000000, 0.0018930400000000, 0.0000000000000000 ] - [ 0.0051938100000000, 0.0059615100000000, 0.0000000000000000 ] - [ -0.0011815500000000, -0.0008655600000000, 0.0000000000000000 ] - [ 0.0047410700000000, -0.0047732500000000, 0.0002035500000000 ] - [ 0.0001098600000000, -0.0004556600000000, 0.0000591700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016125600000000, -0.0009799500000000, 0.0004338700000000 ] - [ 0.0001723000000000, 0.0013851100000000, 0.0004235800000000 ] - [ -0.0012745200000000, 0.0023048900000000, 0.0006831200000000 ] - [ 0.0000320200000000, -0.0009666200000000, 0.0006797900000000 ] - [ 0.0001202300000000, -0.0012596600000000, 0.0009498900000000 ] - [ -0.0006471200000000, -0.0004932000000000, 0.0009356300000000 ] - [ -0.0020043000000000, 0.0004300600000000, -0.0876599600000000 ] - [ -0.0007687300000000, -0.0000367800000000, 0.0015456900000000 ] - [ 0.0004200500000000, -0.0006643400000000, -0.0040827700000000 ] - [ 0.0004160100000000, -0.0006449400000000, 0.0012793900000000 ] - [ 0.0003608500000000, 0.0006950400000000, -0.0040828800000000 ] - [ 0.0003479300000000, 0.0006794600000000, 0.0012792400000000 ] - [ 0.0000626800000000, -0.0019782500000000, 0.0036120600000000 ] - [ 0.0001065400000000, 0.0027557800000000, 0.0036529600000000 ] - [ -0.0009138700000000, 0.0011696400000000, 0.0015398700000000 ] - [ 0.0001673000000000, -0.0014073400000000, 0.0015500500000000 ] - [ -0.0012352900000000, -0.0008957800000000, 0.0016551300000000 ] - [ 0.0018249600000000, 0.0003614700000000, 0.0016688000000000 ] - [ -0.0006826100000000, 0.0000459000000000, -0.0126359100000000 ] - [ -0.0007676300000000, 0.0001128500000000, 0.0011402000000000 ] - [ 0.0002827700000000, -0.0007322600000000, -0.0013562600000000 ] - [ 0.0002835400000000, -0.0007185800000000, 0.0010059700000000 ] - [ 0.0004969000000000, 0.0006037000000000, -0.0021612800000000 ] - [ 0.0004759300000000, 0.0006084800000000, 0.0010083500000000 ] - [ -0.0002875400000000, -0.0031720300000000, -0.0002205000000000 ] - [ 0.0005981100000000, 0.0002362400000000, 0.0009556000000000 ] - [ 0.0005871400000000, -0.0043449000000000, 0.0046314900000000 ] - [ 0.0008641200000000, 0.0007594800000000, 0.0028993800000000 ] - [ -0.0007006300000000, -0.0002582300000000, 0.0005954800000000 ] - [ -0.0010584600000000, 0.0009834100000000, 0.0017918200000000 ] - [ -0.0009303200000000, 0.0010050300000000, -0.0006804000000000 ] - [ -0.0005890500000000, -0.0002366900000000, 0.0005148900000000 ] - [ 0.0008680500000000, 0.0053467400000000, 0.0033250500000000 ] - [ 0.0006089700000000, 0.0002959600000000, 0.0016215400000000 ] - [ 0.0004593900000000, 0.0013872400000000, 0.0010531200000000 ] - [ -0.0004222600000000, -0.0020319200000000, 0.0022325300000000 ] - [ 0.0282440000000000, -0.0017378300000000, 0.0006938800000000 ] - [ -0.0001055800000000, 0.0016788600000000, 0.0025052300000000 ] - [ -0.0013521700000000, -0.0007673300000000, -0.0018203800000000 ] - [ -0.0008977300000000, -0.0009981100000000, 0.0013459500000000 ] - [ 0.0013304000000000, -0.0010769700000000, -0.0020002700000000 ] - [ 0.0012836100000000, -0.0002571600000000, 0.0014286200000000 ] - [ 0.0012730500000000, 0.0000987200000000, -0.0017141400000000 ] - [ 0.0013083000000000, -0.0007261900000000, 0.0017122200000000 ] - [ -0.0007988500000000, -0.0010049800000000, -0.0015255700000000 ] - [ -0.0012509000000000, -0.0007518000000000, 0.0016314800000000 ] - [ -0.0288866700000000, 0.0044341200000000, 0.0003587700000000 ] - [ -0.0003402600000000, 0.0010528000000000, 0.0022270800000000 ] - [ 0.0000041500000000, 0.0000089300000000, -0.0021217000000000 ] - [ 0.0000010200000000, 0.0000036000000000, 0.0010450200000000 ] - [ 0.0015503000000000, -0.0023792300000000, -0.0036112600000000 ] - [ -0.0018645100000000, 0.0014702700000000, -0.0036166700000000 ] - [ 0.0011576500000000, -0.0010799000000000, -0.0013793800000000 ] - [ -0.0002378600000000, 0.0012673000000000, -0.0013790700000000 ] - [ 0.0004620400000000, -0.0013267900000000, 0.0626257200000000 ] - [ -0.0003081900000000, -0.0010484600000000, -0.0032388700000000 ] - [ 0.0010721700000000, 0.0002810700000000, 0.0023005500000000 ] - [ 0.0010696100000000, 0.0002516400000000, -0.0022731700000000 ] - [ -0.0007718900000000, 0.0007901400000000, 0.0022978600000000 ] - [ -0.0007451700000000, 0.0007951700000000, -0.0023754100000000 ] - [ -0.0005069700000000, 0.0049191400000000, -0.0022327900000000 ] - [ -0.0001215400000000, -0.0042244600000000, -0.0022307800000000 ] - [ -0.0006347100000000, 0.0023114500000000, 0.0018729100000000 ] - [ 0.0000352900000000, -0.0001142600000000, -0.0015649200000000 ] - [ -0.0071615100000000, 0.0004724400000000, 0.0145132900000000 ] - [ -0.0004455000000000, 0.0001183900000000, -0.0023103000000000 ] - [ 0.0006011200000000, -0.0022792800000000, 0.0014086300000000 ] - [ -0.0000332800000000, 0.0001148600000000, -0.0020799200000000 ] - [ -0.0014103500000000, 0.0002740900000000, -0.0003176900000000 ] - [ -0.0020797800000000, -0.0003320900000000, -0.0003139000000000 ] - [ -0.0003703700000000, -0.0024380700000000, -0.0051940700000000 ] - [ 0.0021938700000000, -0.0005612200000000, -0.0051591500000000 ] - [ 0.0012134200000000, 0.0010964500000000, -0.0002122900000000 ] - [ 0.0004803900000000, 0.0019612900000000, -0.0002050700000000 ] - [ 0.0015367700000000, -0.0007805800000000, 0.0058612800000000 ] - [ 0.0015639300000000, -0.0007730500000000, -0.0016727000000000 ] - [ -0.0000971300000000, 0.0017453600000000, 0.0029520600000000 ] - [ -0.0001152800000000, 0.0017388700000000, -0.0017739500000000 ] - [ -0.0014481700000000, -0.0009895100000000, 0.0054620200000000 ] - [ -0.0014518100000000, -0.0009678100000000, -0.0020086500000000 ] - [ 0.0077288500000000, -0.0004975100000000, 0.0137486500000000 ] - [ 0.0004402000000000, -0.0001174100000000, -0.0034436800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0075015800000000, -0.0341545700000000, 0.0000000000000000 ] - [ 0.0006940600000000, 0.0000812400000000, 0.0000000000000000 ] - [ -0.0001443900000000, -0.0003757800000000, 0.0000000000000000 ] - [ -0.0006133800000000, 0.0007004800000000, 0.0000000000000000 ] - [ 0.0056796300000000, -0.0003626500000000, 0.0000000000000000 ] - [ -0.0000190800000000, -0.0008640700000000, 0.0000000000000000 ] - [ -0.0035648400000000, 0.0001688200000000, -0.0000230600000000 ] - [ -0.0035648400000000, 0.0001688200000000, 0.0000230600000000 ] - [ 0.0010887100000000, -0.0031793000000000, 0.0013158700000000 ] - [ 0.0010887100000000, -0.0031793000000000, -0.0013158700000000 ] - [ 0.0016761800000000, 0.0017193300000000, 0.0013849800000000 ] - [ 0.0016761800000000, 0.0017193300000000, -0.0013849800000000 ] - [ -0.1098736600000000, -0.0128567400000000, 0.0000000000000000 ] - [ -0.0001994600000000, 0.0002793600000000, 0.0000000000000000 ] - [ -0.0009552400000000, -0.0063644600000000, 0.0000000000000000 ] - [ -0.0005285700000000, -0.0002249200000000, 0.0000000000000000 ] - [ 0.0131123000000000, -0.0017250300000000, 0.0000000000000000 ] - [ 0.0004977100000000, -0.0003699800000000, 0.0000000000000000 ] - [ -0.0016057000000000, -0.0007594300000000, -0.0011304600000000 ] - [ -0.0016057000000000, -0.0007594300000000, 0.0011304600000000 ] - [ 0.0001682700000000, -0.0014034900000000, -0.0003863400000000 ] - [ 0.0001682700000000, -0.0014034900000000, 0.0003863400000000 ] - [ 0.0018222400000000, 0.0004384900000000, -0.0002778000000000 ] - [ 0.0018222400000000, 0.0004384900000000, 0.0002778000000000 ] - [ -0.0060589500000000, 0.0171279000000000, 0.0080047100000000 ] - [ -0.0001092400000000, -0.0010207800000000, -0.0008746500000000 ] - [ 0.0005991800000000, 0.0005903600000000, 0.0006272200000000 ] - [ -0.0020498500000000, 0.0021520300000000, 0.0012704500000000 ] - [ -0.0006188600000000, 0.0003921200000000, 0.0006396800000000 ] - [ 0.0015224800000000, -0.0008358400000000, 0.0002991000000000 ] - [ 0.0015224800000000, -0.0008358400000000, -0.0002991000000000 ] - [ -0.0006188600000000, 0.0003921200000000, -0.0006396800000000 ] - [ -0.0020498500000000, 0.0021520300000000, -0.0012704500000000 ] - [ 0.0005991800000000, 0.0005903600000000, -0.0006272200000000 ] - [ -0.0001092400000000, -0.0010207800000000, 0.0008746500000000 ] - [ -0.0060589500000000, 0.0171279000000000, -0.0080047100000000 ] - [ 0.0013493900000000, 0.0015975000000000, -0.0062454800000000 ] - [ -0.0004954100000000, 0.0014177000000000, 0.0017362800000000 ] - [ -0.0010193400000000, -0.0013618800000000, -0.0002034900000000 ] - [ -0.0013928600000000, -0.0018936400000000, 0.0010456100000000 ] - [ 0.0017332000000000, -0.0002041900000000, 0.0001559200000000 ] - [ 0.0022802900000000, -0.0001461900000000, -0.0006393500000000 ] - [ 0.0022802900000000, -0.0001461900000000, 0.0006393500000000 ] - [ 0.0017332000000000, -0.0002041900000000, -0.0001559200000000 ] - [ -0.0013928600000000, -0.0018936400000000, -0.0010456100000000 ] - [ -0.0010193400000000, -0.0013618800000000, 0.0002034900000000 ] - [ -0.0004954100000000, 0.0014177000000000, -0.0017362800000000 ] - [ 0.0013493900000000, 0.0015975000000000, 0.0062454800000000 ] - [ 0.0004324000000000, 0.0011315900000000, 0.0000584700000000 ] - [ 0.0004324000000000, 0.0011315900000000, -0.0000584700000000 ] - [ 0.0060051500000000, 0.0017559900000000, 0.0000000000000000 ] - [ 0.0001180000000000, -0.0004277200000000, 0.0000000000000000 ] - [ -0.0087357400000000, 0.0030832000000000, 0.0000000000000000 ] - [ 0.0000523700000000, 0.0000465900000000, 0.0000000000000000 ] - [ 0.0036330000000000, -0.0001384800000000, 0.0053466100000000 ] - [ 0.0036330000000000, -0.0001384800000000, -0.0053466100000000 ] - [ 0.0006778800000000, 0.0024830000000000, 0.0008095600000000 ] - [ 0.0006778800000000, 0.0024830000000000, -0.0008095600000000 ] - [ -0.0031158900000000, 0.0002400400000000, -0.0006217500000000 ] - [ -0.0031158900000000, 0.0002400400000000, 0.0006217500000000 ] - [ 0.0615238200000000, 0.0004950000000000, 0.0000000000000000 ] - [ 0.0002186100000000, 0.0006308700000000, 0.0000000000000000 ] - [ -0.0034665900000000, 0.0009900700000000, 0.0032740500000000 ] - [ -0.0003289800000000, 0.0003369100000000, -0.0000122000000000 ] - [ 0.0080162300000000, 0.0009183200000000, 0.0016159300000000 ] - [ 0.0004254300000000, 0.0000881200000000, 0.0011908000000000 ] - [ -0.0003289800000000, 0.0003369100000000, 0.0000122000000000 ] - [ -0.0034665900000000, 0.0009900700000000, -0.0032740500000000 ] - [ -0.0052541800000000, -0.0027701700000000, 0.0000000000000000 ] - [ -0.0017934200000000, -0.0001205800000000, 0.0000000000000000 ] - [ 0.0268359600000000, 0.0107879400000000, 0.0000000000000000 ] - [ 0.0010606400000000, -0.0016557600000000, 0.0000000000000000 ] - [ 0.0017857000000000, 0.0046504500000000, 0.0000000000000000 ] - [ 0.0008077100000000, 0.0015318000000000, 0.0000000000000000 ] - [ 0.0001824100000000, -0.0013066900000000, 0.0004754200000000 ] - [ 0.0001824100000000, -0.0013066900000000, -0.0004754200000000 ] - [ 0.0007675500000000, 0.0012492900000000, -0.0018306600000000 ] - [ 0.0007675500000000, 0.0012492900000000, 0.0018306600000000 ] - [ -0.0014364000000000, -0.0016769400000000, 0.0004771400000000 ] - [ -0.0014364000000000, -0.0016769400000000, -0.0004771400000000 ] - [ 0.0004254300000000, 0.0000881200000000, -0.0011908000000000 ] - [ 0.0080162300000000, 0.0009183200000000, -0.0016159300000000 ]- atom: 13 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0056793300000000, 0.0348747600000000, 0.0000000000000000 ] - [ 0.0011563300000000, 0.0003120700000000, 0.0000000000000000 ] - [ -0.0011138600000000, 0.0017552900000000, 0.0000000000000000 ] - [ -0.0006529700000000, 0.0007033700000000, 0.0000000000000000 ] - [ -0.0062460200000000, -0.0014107000000000, 0.0000000000000000 ] - [ -0.0005600100000000, -0.0009303100000000, 0.0000000000000000 ] - [ 0.0020024100000000, -0.0002348700000000, 0.0000209900000000 ] - [ 0.0020024100000000, -0.0002348700000000, -0.0000209900000000 ] - [ -0.0002333300000000, 0.0018446000000000, -0.0013033500000000 ] - [ -0.0002333300000000, 0.0018446000000000, 0.0013033500000000 ] - [ -0.0009655300000000, -0.0003156200000000, -0.0013855900000000 ] - [ -0.0009655300000000, -0.0003156200000000, 0.0013855900000000 ] - [ 0.1109287900000000, 0.0160345800000000, 0.0000000000000000 ] - [ 0.0003866700000000, 0.0005355100000000, 0.0000000000000000 ] - [ 0.0001806800000000, 0.0060861400000000, 0.0000000000000000 ] - [ -0.0002683700000000, -0.0000192100000000, 0.0000000000000000 ] - [ -0.0123262100000000, 0.0011692300000000, 0.0000000000000000 ] - [ 0.0001099500000000, -0.0002015500000000, 0.0000000000000000 ] - [ 0.0000709500000000, 0.0010006600000000, 0.0011288300000000 ] - [ 0.0000709500000000, 0.0010006600000000, -0.0011288300000000 ] - [ 0.0004061200000000, -0.0000470400000000, 0.0003848900000000 ] - [ 0.0004061200000000, -0.0000470400000000, -0.0003848900000000 ] - [ -0.0008689000000000, 0.0007946500000000, 0.0002767100000000 ] - [ -0.0008689000000000, 0.0007946500000000, -0.0002767100000000 ] - [ 0.0060793700000000, -0.0190075700000000, -0.0092838000000000 ] - [ 0.0002617100000000, -0.0007806000000000, -0.0004186100000000 ] - [ 0.0008872400000000, 0.0004449300000000, 0.0006697400000000 ] - [ 0.0035547400000000, -0.0011426500000000, 0.0000097000000000 ] - [ -0.0010241400000000, 0.0003735400000000, 0.0006578700000000 ] - [ -0.0031682500000000, 0.0015944100000000, 0.0009904300000000 ] - [ -0.0031682500000000, 0.0015944100000000, -0.0009904300000000 ] - [ -0.0010241400000000, 0.0003735400000000, -0.0006578700000000 ] - [ 0.0035547400000000, -0.0011426500000000, -0.0000097000000000 ] - [ 0.0008872400000000, 0.0004449300000000, -0.0006697400000000 ] - [ 0.0002617100000000, -0.0007806000000000, 0.0004186100000000 ] - [ 0.0060793700000000, -0.0190075700000000, 0.0092838000000000 ] - [ -0.0018114500000000, 0.0011504000000000, 0.0066132100000000 ] - [ 0.0000444500000000, 0.0013263800000000, -0.0014432300000000 ] - [ -0.0011267000000000, -0.0004048900000000, -0.0001057400000000 ] - [ -0.0007472500000000, 0.0001198900000000, -0.0013426900000000 ] - [ 0.0008679200000000, -0.0007735900000000, -0.0004653000000000 ] - [ 0.0003078900000000, -0.0008263700000000, 0.0003470900000000 ] - [ 0.0003078900000000, -0.0008263700000000, -0.0003470900000000 ] - [ 0.0008679200000000, -0.0007735900000000, 0.0004653000000000 ] - [ -0.0007472500000000, 0.0001198900000000, 0.0013426900000000 ] - [ -0.0011267000000000, -0.0004048900000000, 0.0001057400000000 ] - [ 0.0000444500000000, 0.0013263800000000, 0.0014432300000000 ] - [ -0.0018114500000000, 0.0011504000000000, -0.0066132100000000 ] - [ -0.0004379500000000, -0.0011464100000000, -0.0000615700000000 ] - [ -0.0004379500000000, -0.0011464100000000, 0.0000615700000000 ] - [ -0.0063452700000000, -0.0026158100000000, 0.0000000000000000 ] - [ -0.0004366200000000, -0.0004872900000000, 0.0000000000000000 ] - [ 0.0096876900000000, -0.0028790500000000, 0.0000000000000000 ] - [ 0.0008961100000000, 0.0001315200000000, 0.0000000000000000 ] - [ -0.0043148800000000, -0.0019684700000000, -0.0053721400000000 ] - [ -0.0043148800000000, -0.0019684700000000, 0.0053721400000000 ] - [ 0.0014470800000000, -0.0019948900000000, -0.0008015600000000 ] - [ 0.0014470800000000, -0.0019948900000000, 0.0008015600000000 ] - [ 0.0016623700000000, 0.0013494800000000, 0.0006317300000000 ] - [ 0.0016623700000000, 0.0013494800000000, -0.0006317300000000 ] - [ -0.0621691800000000, -0.0010302800000000, 0.0000000000000000 ] - [ -0.0008601500000000, 0.0000962700000000, 0.0000000000000000 ] - [ 0.0034505300000000, -0.0010066600000000, -0.0027399200000000 ] - [ 0.0003296500000000, -0.0003388300000000, 0.0005392000000000 ] - [ -0.0077862200000000, -0.0010927500000000, -0.0001718400000000 ] - [ -0.0004277900000000, -0.0000915500000000, -0.0000548400000000 ] - [ 0.0003296500000000, -0.0003388300000000, -0.0005392000000000 ] - [ 0.0034505300000000, -0.0010066600000000, 0.0027399200000000 ] - [ 0.0018485800000000, 0.0026895100000000, 0.0000000000000000 ] - [ -0.0016865700000000, 0.0000490300000000, 0.0000000000000000 ] - [ -0.0262230600000000, -0.0147090600000000, 0.0000000000000000 ] - [ 0.0007411800000000, -0.0013235100000000, 0.0000000000000000 ] - [ -0.0001195900000000, -0.0015412500000000, 0.0000000000000000 ] - [ 0.0008730500000000, 0.0015278300000000, 0.0000000000000000 ] - [ 0.0029396000000000, -0.0002313300000000, -0.0004864000000000 ] - [ 0.0029396000000000, -0.0002313300000000, 0.0004864000000000 ] - [ -0.0010021000000000, 0.0022403500000000, 0.0018767100000000 ] - [ -0.0010021000000000, 0.0022403500000000, -0.0018767100000000 ] - [ -0.0014584500000000, -0.0002437200000000, -0.0004853800000000 ] - [ -0.0014584500000000, -0.0002437200000000, 0.0004853800000000 ] - [ -0.0004277900000000, -0.0000915500000000, 0.0000548400000000 ] - [ -0.0077862200000000, -0.0010927500000000, 0.0001718400000000 ]- atom: 13 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0200218600000000, 0.0398360400000000, 0.0000000000000000 ] - [ 0.0008751600000000, 0.0001029100000000, 0.0000000000000000 ] - [ -0.0031233400000000, 0.0070979400000000, 0.0000000000000000 ] - [ -0.0007313600000000, 0.0009131200000000, 0.0000000000000000 ] - [ -0.0032634500000000, -0.0030451300000000, 0.0000000000000000 ] - [ -0.0003312200000000, -0.0009917800000000, 0.0000000000000000 ] - [ 0.0011893700000000, -0.0013303300000000, -0.0020494100000000 ] - [ 0.0011893700000000, -0.0013303300000000, 0.0020494100000000 ] - [ -0.0009575700000000, 0.0029616600000000, -0.0015262900000000 ] - [ -0.0009575700000000, 0.0029616600000000, 0.0015262900000000 ] - [ -0.0004806500000000, -0.0016475400000000, -0.0008410700000000 ] - [ -0.0004806500000000, -0.0016475400000000, 0.0008410700000000 ] - [ 0.0420141600000000, -0.3355771800000000, 0.0000000000000000 ] - [ 0.0001220700000000, -0.0000210000000000, 0.0000000000000000 ] - [ -0.0057622900000000, 0.0113712700000000, 0.0000000000000000 ] - [ -0.0004440900000000, 0.0000690000000000, 0.0000000000000000 ] - [ -0.0070036400000000, -0.0026030000000000, 0.0000000000000000 ] - [ 0.0001640900000000, -0.0003770400000000, 0.0000000000000000 ] - [ -0.0009172700000000, -0.0015542600000000, 0.0011056800000000 ] - [ -0.0009172700000000, -0.0015542600000000, -0.0011056800000000 ] - [ -0.0003079700000000, 0.0002751400000000, 0.0004434700000000 ] - [ -0.0003079700000000, 0.0002751400000000, -0.0004434700000000 ] - [ -0.0000570800000000, 0.0000930600000000, 0.0004360900000000 ] - [ -0.0000570800000000, 0.0000930600000000, -0.0004360900000000 ] - [ 0.0127621200000000, 0.0132507100000000, 0.0087238400000000 ] - [ 0.0001285500000000, -0.0012505400000000, -0.0009636200000000 ] - [ 0.0007832500000000, 0.0006315200000000, 0.0004908100000000 ] - [ 0.0023778600000000, 0.0072751900000000, 0.0022821000000000 ] - [ -0.0009376500000000, 0.0004318900000000, 0.0005909300000000 ] - [ -0.0020013600000000, 0.0012789500000000, 0.0007298200000000 ] - [ -0.0020013600000000, 0.0012789500000000, -0.0007298200000000 ] - [ -0.0009376500000000, 0.0004318900000000, -0.0005909300000000 ] - [ 0.0023778600000000, 0.0072751900000000, -0.0022821000000000 ] - [ 0.0007832500000000, 0.0006315200000000, -0.0004908100000000 ] - [ 0.0001285500000000, -0.0012505400000000, 0.0009636200000000 ] - [ 0.0127621200000000, 0.0132507100000000, -0.0087238400000000 ] - [ 0.0002473200000000, -0.0006909400000000, -0.0003122600000000 ] - [ 0.0002643400000000, 0.0009814800000000, 0.0003094000000000 ] - [ -0.0017599100000000, -0.0000934200000000, 0.0003060800000000 ] - [ -0.0025506700000000, 0.0016213900000000, -0.0028200900000000 ] - [ 0.0010698900000000, -0.0007229300000000, -0.0000812300000000 ] - [ 0.0020705100000000, -0.0006578800000000, -0.0011450400000000 ] - [ 0.0020705100000000, -0.0006578800000000, 0.0011450400000000 ] - [ 0.0010698900000000, -0.0007229300000000, 0.0000812300000000 ] - [ -0.0025506700000000, 0.0016213900000000, 0.0028200900000000 ] - [ -0.0017599100000000, -0.0000934200000000, -0.0003060800000000 ] - [ 0.0002643400000000, 0.0009814800000000, -0.0003094000000000 ] - [ 0.0002473200000000, -0.0006909400000000, 0.0003122600000000 ] - [ 0.0011067100000000, 0.0015224300000000, 0.0005077700000000 ] - [ 0.0011067100000000, 0.0015224300000000, -0.0005077700000000 ] - [ -0.0004025600000000, -0.0127565800000000, 0.0000000000000000 ] - [ -0.0000323100000000, -0.0007907500000000, 0.0000000000000000 ] - [ 0.0048994500000000, -0.0008378700000000, 0.0000000000000000 ] - [ 0.0006150000000000, 0.0001279000000000, 0.0000000000000000 ] - [ -0.0026873400000000, 0.0023356500000000, 0.0002227800000000 ] - [ -0.0026873400000000, 0.0023356500000000, -0.0002227800000000 ] - [ 0.0033314200000000, -0.0034575600000000, -0.0019288900000000 ] - [ 0.0033314200000000, -0.0034575600000000, 0.0019288900000000 ] - [ 0.0004534000000000, 0.0022684800000000, -0.0010709300000000 ] - [ 0.0004534000000000, 0.0022684800000000, 0.0010709300000000 ] - [ -0.0291519800000000, 0.2467281200000000, 0.0000000000000000 ] - [ -0.0000750900000000, 0.0009437100000000, 0.0000000000000000 ] - [ 0.0053119800000000, 0.0004832900000000, -0.0039751400000000 ] - [ 0.0002145500000000, 0.0000085500000000, 0.0005419800000000 ] - [ -0.0023103400000000, 0.0053924900000000, 0.0032809900000000 ] - [ 0.0001350700000000, 0.0002742100000000, -0.0003948400000000 ] - [ 0.0002145500000000, 0.0000085500000000, -0.0005419800000000 ] - [ 0.0053119800000000, 0.0004832900000000, 0.0039751400000000 ] - [ -0.0086087300000000, 0.0004572900000000, 0.0000000000000000 ] - [ -0.0019346300000000, 0.0000375800000000, 0.0000000000000000 ] - [ -0.0047676100000000, 0.0031322700000000, 0.0000000000000000 ] - [ 0.0007651200000000, -0.0014975400000000, 0.0000000000000000 ] - [ 0.0035549000000000, -0.0077099600000000, 0.0000000000000000 ] - [ 0.0010100800000000, 0.0012804000000000, 0.0000000000000000 ] - [ 0.0019396600000000, -0.0013080200000000, 0.0003989500000000 ] - [ 0.0019396600000000, -0.0013080200000000, -0.0003989500000000 ] - [ 0.0000034500000000, 0.0006868600000000, -0.0044970300000000 ] - [ 0.0000034500000000, 0.0006868600000000, 0.0044970300000000 ] - [ -0.0026046000000000, -0.0020043900000000, 0.0014629700000000 ] - [ -0.0026046000000000, -0.0020043900000000, -0.0014629700000000 ] - [ 0.0001350700000000, 0.0002742100000000, 0.0003948400000000 ] - [ -0.0023103400000000, 0.0053924900000000, -0.0032809900000000 ]- atom: 13 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0212553500000000, -0.0384591100000000, 0.0000000000000000 ] - [ 0.0009468800000000, 0.0002947700000000, 0.0000000000000000 ] - [ 0.0018393700000000, -0.0057137700000000, 0.0000000000000000 ] - [ -0.0005294000000000, 0.0004681800000000, 0.0000000000000000 ] - [ 0.0027126600000000, 0.0012606300000000, 0.0000000000000000 ] - [ -0.0002261500000000, -0.0007840700000000, 0.0000000000000000 ] - [ -0.0027797100000000, 0.0012636000000000, 0.0020288500000000 ] - [ -0.0027797100000000, 0.0012636000000000, -0.0020288500000000 ] - [ 0.0018078700000000, -0.0042838500000000, 0.0015327600000000 ] - [ 0.0018078700000000, -0.0042838500000000, -0.0015327600000000 ] - [ 0.0012053900000000, 0.0030575000000000, 0.0008473200000000 ] - [ 0.0012053900000000, 0.0030575000000000, -0.0008473200000000 ] - [ -0.0433120600000000, 0.3208199600000000, 0.0000000000000000 ] - [ 0.0000695600000000, 0.0008099100000000, 0.0000000000000000 ] - [ 0.0050517300000000, -0.0117411700000000, 0.0000000000000000 ] - [ -0.0003328700000000, -0.0002924400000000, 0.0000000000000000 ] - [ 0.0076064100000000, 0.0020536500000000, 0.0000000000000000 ] - [ 0.0004237600000000, -0.0001923400000000, 0.0000000000000000 ] - [ -0.0006252400000000, 0.0017634100000000, -0.0011075300000000 ] - [ -0.0006252400000000, 0.0017634100000000, 0.0011075300000000 ] - [ 0.0008778500000000, -0.0017216500000000, -0.0004367100000000 ] - [ 0.0008778500000000, -0.0017216500000000, 0.0004367100000000 ] - [ 0.0010150400000000, 0.0011300900000000, -0.0004326300000000 ] - [ 0.0010150400000000, 0.0011300900000000, 0.0004326300000000 ] - [ -0.0124155900000000, -0.0150224100000000, -0.0099168600000000 ] - [ 0.0000362900000000, -0.0005451700000000, -0.0003089100000000 ] - [ 0.0006884100000000, 0.0004125100000000, 0.0007839000000000 ] - [ -0.0009463200000000, -0.0062690500000000, -0.0010383000000000 ] - [ -0.0007023700000000, 0.0003240600000000, 0.0006863900000000 ] - [ 0.0003690600000000, -0.0005189300000000, 0.0005405900000000 ] - [ 0.0003690600000000, -0.0005189300000000, -0.0005405900000000 ] - [ -0.0007023700000000, 0.0003240600000000, -0.0006863900000000 ] - [ -0.0009463200000000, -0.0062690500000000, 0.0010383000000000 ] - [ 0.0006884100000000, 0.0004125100000000, -0.0007839000000000 ] - [ 0.0000362900000000, -0.0005451700000000, 0.0003089100000000 ] - [ -0.0124155900000000, -0.0150224100000000, 0.0099168600000000 ] - [ -0.0006741800000000, 0.0034256300000000, 0.0005813800000000 ] - [ -0.0007180400000000, 0.0017555400000000, 0.0000225600000000 ] - [ -0.0003850700000000, -0.0016723000000000, -0.0006179400000000 ] - [ 0.0004088500000000, -0.0033774200000000, 0.0024771500000000 ] - [ 0.0015319200000000, -0.0002492900000000, -0.0002340100000000 ] - [ 0.0005281800000000, -0.0003167400000000, 0.0008230300000000 ] - [ 0.0005281800000000, -0.0003167400000000, -0.0008230300000000 ] - [ 0.0015319200000000, -0.0002492900000000, 0.0002340100000000 ] - [ 0.0004088500000000, -0.0033774200000000, -0.0024771500000000 ] - [ -0.0003850700000000, -0.0016723000000000, 0.0006179400000000 ] - [ -0.0007180400000000, 0.0017555400000000, -0.0000225600000000 ] - [ -0.0006741800000000, 0.0034256300000000, -0.0005813800000000 ] - [ -0.0011042400000000, -0.0015126700000000, -0.0005098600000000 ] - [ -0.0011042400000000, -0.0015126700000000, 0.0005098600000000 ] - [ 0.0001302100000000, 0.0118332400000000, 0.0000000000000000 ] - [ -0.0002798500000000, -0.0001294500000000, 0.0000000000000000 ] - [ -0.0039582100000000, 0.0010142500000000, 0.0000000000000000 ] - [ 0.0003319000000000, 0.0000555000000000, 0.0000000000000000 ] - [ 0.0020317000000000, -0.0043949400000000, -0.0001709900000000 ] - [ 0.0020317000000000, -0.0043949400000000, 0.0001709900000000 ] - [ -0.0011826400000000, 0.0039164200000000, 0.0019085800000000 ] - [ -0.0011826400000000, 0.0039164200000000, -0.0019085800000000 ] - [ -0.0019145800000000, -0.0006565300000000, 0.0010650700000000 ] - [ -0.0019145800000000, -0.0006565300000000, -0.0010650700000000 ] - [ 0.0294893300000000, -0.2312039100000000, 0.0000000000000000 ] - [ -0.0005641100000000, -0.0002067600000000, 0.0000000000000000 ] - [ -0.0052846600000000, -0.0004552300000000, 0.0044609800000000 ] - [ -0.0002163100000000, -0.0000030500000000, -0.0000108200000000 ] - [ 0.0025686000000000, -0.0054893800000000, -0.0018730700000000 ] - [ -0.0001323800000000, -0.0002745900000000, 0.0015252600000000 ] - [ -0.0002163100000000, -0.0000030500000000, 0.0000108200000000 ] - [ -0.0052846600000000, -0.0004552300000000, -0.0044609800000000 ] - [ 0.0051420300000000, -0.0005067600000000, 0.0000000000000000 ] - [ -0.0015478600000000, -0.0000945200000000, 0.0000000000000000 ] - [ 0.0066741400000000, -0.0061005800000000, 0.0000000000000000 ] - [ 0.0010280000000000, -0.0014902800000000, 0.0000000000000000 ] - [ -0.0018947900000000, 0.0107256000000000, 0.0000000000000000 ] - [ 0.0006822900000000, 0.0017701600000000, 0.0000000000000000 ] - [ 0.0011779700000000, -0.0002485700000000, -0.0003953300000000 ] - [ 0.0011779700000000, -0.0002485700000000, 0.0003953300000000 ] - [ -0.0002325500000000, 0.0028059700000000, 0.0044992500000000 ] - [ -0.0002325500000000, 0.0028059700000000, -0.0044992500000000 ] - [ -0.0003023800000000, 0.0000616600000000, -0.0014672300000000 ] - [ -0.0003023800000000, 0.0000616600000000, 0.0014672300000000 ] - [ -0.0001323800000000, -0.0002745900000000, -0.0015252600000000 ] - [ 0.0025686000000000, -0.0054893800000000, 0.0018730700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009416000000000, 0.0001040600000000, -0.0122728300000000 ] - [ 0.0009084600000000, 0.0002017600000000, 0.0010686600000000 ] - [ -0.0006203900000000, 0.0006771900000000, -0.0016227000000000 ] - [ -0.0006285100000000, 0.0006868400000000, 0.0009599300000000 ] - [ -0.0002758800000000, -0.0008790800000000, -0.0013123900000000 ] - [ -0.0002784600000000, -0.0008855900000000, 0.0010094500000000 ] - [ -0.0020776600000000, -0.0004832000000000, 0.0036522000000000 ] - [ 0.0004903500000000, 0.0004055500000000, 0.0036125900000000 ] - [ 0.0012208300000000, -0.0030468800000000, 0.0016692800000000 ] - [ -0.0003611500000000, 0.0016981000000000, 0.0016546100000000 ] - [ 0.0019622100000000, 0.0019702400000000, 0.0015469100000000 ] - [ -0.0012395100000000, -0.0005602500000000, 0.0015429400000000 ] - [ -0.0004730700000000, 0.0011465800000000, -0.0773005600000000 ] - [ 0.0000970700000000, 0.0003950200000000, 0.0012979700000000 ] - [ -0.0003880000000000, -0.0001211400000000, -0.0034080200000000 ] - [ -0.0003854500000000, -0.0001118700000000, 0.0010767600000000 ] - [ 0.0002793700000000, -0.0002742900000000, -0.0034080400000000 ] - [ 0.0002913800000000, -0.0002813000000000, 0.0010769900000000 ] - [ -0.0018135100000000, 0.0009283800000000, 0.0009053000000000 ] - [ 0.0002675700000000, -0.0006794500000000, 0.0009103100000000 ] - [ 0.0001546700000000, -0.0011515900000000, 0.0001245300000000 ] - [ 0.0004107900000000, -0.0003038100000000, 0.0001312400000000 ] - [ 0.0007453700000000, 0.0009033200000000, 0.0001756200000000 ] - [ 0.0002200900000000, 0.0003218500000000, 0.0001809800000000 ] - [ 0.0095954300000000, 0.0286909500000000, -0.0017730800000000 ] - [ 0.0002817300000000, -0.0006915900000000, 0.0011603700000000 ] - [ 0.0010119700000000, 0.0002463500000000, 0.0021844000000000 ] - [ 0.0006232900000000, 0.0034936800000000, -0.0021390500000000 ] - [ -0.0008716600000000, 0.0006639000000000, 0.0020412100000000 ] - [ -0.0010988200000000, -0.0000444200000000, -0.0013105000000000 ] - [ -0.0005392600000000, 0.0007988200000000, -0.0025958800000000 ] - [ -0.0007696100000000, 0.0000889900000000, 0.0007622300000000 ] - [ 0.0008460700000000, -0.0024637900000000, -0.0034196600000000 ] - [ 0.0004619600000000, 0.0007940700000000, 0.0009061400000000 ] - [ -0.0001144300000000, -0.0011006400000000, 0.0024346700000000 ] - [ -0.0093153600000000, -0.0302817100000000, -0.0004572800000000 ] - [ -0.0036927300000000, 0.0003904200000000, 0.0019921900000000 ] - [ 0.0006856100000000, 0.0015224000000000, 0.0023527500000000 ] - [ -0.0009213700000000, -0.0011628000000000, 0.0009430700000000 ] - [ -0.0006508600000000, -0.0009048500000000, -0.0009231500000000 ] - [ 0.0015363000000000, 0.0000365200000000, 0.0009856600000000 ] - [ 0.0004986200000000, -0.0006501800000000, -0.0007288300000000 ] - [ 0.0020975100000000, -0.0003231100000000, -0.0004269800000000 ] - [ 0.0010645900000000, -0.0010093700000000, 0.0013000800000000 ] - [ -0.0014885300000000, -0.0008695800000000, -0.0006330000000000 ] - [ -0.0012216200000000, -0.0006021900000000, 0.0012619000000000 ] - [ -0.0011456400000000, 0.0012169400000000, 0.0020439000000000 ] - [ 0.0032052200000000, 0.0023414300000000, 0.0016714200000000 ] - [ 0.0002440700000000, 0.0006377900000000, 0.0007825100000000 ] - [ -0.0002461700000000, -0.0006409200000000, 0.0007872000000000 ] - [ -0.0001619700000000, -0.0004361900000000, 0.0064336000000000 ] - [ -0.0001595000000000, -0.0004572500000000, -0.0022915700000000 ] - [ 0.0004732700000000, 0.0000779600000000, 0.0031385700000000 ] - [ 0.0004740000000000, 0.0000911300000000, -0.0021572900000000 ] - [ 0.0029611500000000, -0.0021654000000000, -0.0044381500000000 ] - [ -0.0035734000000000, 0.0000577600000000, -0.0044251300000000 ] - [ 0.0006344000000000, 0.0021410800000000, -0.0001551500000000 ] - [ 0.0014954600000000, -0.0016412800000000, -0.0001754400000000 ] - [ -0.0025184400000000, -0.0007172000000000, -0.0006807400000000 ] - [ 0.0010451200000000, 0.0023114000000000, -0.0006932000000000 ] - [ -0.0003042700000000, -0.0003187300000000, 0.0618718600000000 ] - [ -0.0003198400000000, 0.0003634000000000, -0.0026426000000000 ] - [ 0.0007552300000000, -0.0009238700000000, 0.0019454000000000 ] - [ -0.0003026700000000, 0.0002571800000000, -0.0013672600000000 ] - [ 0.0029042900000000, 0.0006105200000000, 0.0092690100000000 ] - [ 0.0004849400000000, -0.0001075800000000, -0.0021831400000000 ] - [ 0.0003053000000000, -0.0002600100000000, -0.0018890800000000 ] - [ -0.0007777100000000, 0.0009140900000000, 0.0013857700000000 ] - [ -0.0017254200000000, -0.0000258600000000, 0.0060548200000000 ] - [ -0.0017412600000000, -0.0000306400000000, -0.0018646000000000 ] - [ 0.0009609100000000, -0.0014692500000000, 0.0082599200000000 ] - [ 0.0008973800000000, -0.0014927100000000, -0.0024484700000000 ] - [ 0.0008450800000000, 0.0015501400000000, 0.0028475100000000 ] - [ 0.0008441700000000, 0.0015270600000000, -0.0018881700000000 ] - [ 0.0022530300000000, -0.0006819700000000, -0.0004449300000000 ] - [ 0.0008731500000000, -0.0008671500000000, -0.0004474000000000 ] - [ 0.0003173600000000, 0.0003928700000000, -0.0033405500000000 ] - [ -0.0005432700000000, 0.0030912300000000, -0.0033678500000000 ] - [ -0.0017331400000000, -0.0003906100000000, -0.0006121000000000 ] - [ -0.0011737700000000, -0.0015356800000000, -0.0006147300000000 ] - [ -0.0004925900000000, 0.0001052500000000, -0.0033297300000000 ] - [ -0.0025214600000000, -0.0008072500000000, 0.0077768300000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0015025600000000, 0.0003106300000000, -0.0000618600000000 ] - [ -0.0015025600000000, 0.0003106300000000, 0.0000618600000000 ] - [ 0.0001404300000000, -0.0014315900000000, 0.0010995700000000 ] - [ 0.0001404300000000, -0.0014315900000000, -0.0010995700000000 ] - [ 0.0009061100000000, 0.0003170400000000, 0.0011375300000000 ] - [ 0.0009061100000000, 0.0003170400000000, -0.0011375300000000 ] - [ 0.0067945700000000, -0.0335185900000000, 0.0000000000000000 ] - [ -0.0010486200000000, -0.0000979800000000, 0.0000000000000000 ] - [ 0.0013743500000000, -0.0030117500000000, 0.0000000000000000 ] - [ 0.0004452300000000, -0.0007216300000000, 0.0000000000000000 ] - [ 0.0056460200000000, 0.0018316600000000, 0.0000000000000000 ] - [ 0.0005938400000000, 0.0007396200000000, 0.0000000000000000 ] - [ -0.0007459300000000, -0.0002659700000000, -0.0010389800000000 ] - [ -0.0007459300000000, -0.0002659700000000, 0.0010389800000000 ] - [ -0.0005915000000000, -0.0008253200000000, -0.0003833000000000 ] - [ -0.0005915000000000, -0.0008253200000000, 0.0003833000000000 ] - [ 0.0014569600000000, -0.0003488600000000, -0.0003032400000000 ] - [ 0.0014569600000000, -0.0003488600000000, 0.0003032400000000 ] - [ -0.0955735300000000, -0.0142181200000000, 0.0000000000000000 ] - [ -0.0010270000000000, -0.0000214000000000, 0.0000000000000000 ] - [ 0.0006326100000000, -0.0072998400000000, 0.0000000000000000 ] - [ 0.0001910300000000, -0.0008222400000000, 0.0000000000000000 ] - [ 0.0113320000000000, 0.0010868700000000, 0.0000000000000000 ] - [ 0.0006474500000000, 0.0005586600000000, 0.0000000000000000 ] - [ 0.0017629700000000, -0.0002620300000000, -0.0052923300000000 ] - [ -0.0001553100000000, -0.0008961400000000, 0.0007653100000000 ] - [ 0.0004321500000000, -0.0002738300000000, 0.0016475100000000 ] - [ 0.0007777100000000, 0.0001843600000000, 0.0005312000000000 ] - [ -0.0001710300000000, 0.0008455300000000, 0.0005947900000000 ] - [ -0.0004350100000000, 0.0007039200000000, 0.0008218000000000 ] - [ -0.0001710300000000, 0.0008455300000000, -0.0005947900000000 ] - [ -0.0004350100000000, 0.0007039200000000, -0.0008218000000000 ] - [ 0.0004321500000000, -0.0002738300000000, -0.0016475100000000 ] - [ 0.0007777100000000, 0.0001843600000000, -0.0005312000000000 ] - [ 0.0017629700000000, -0.0002620300000000, 0.0052923300000000 ] - [ -0.0001553100000000, -0.0008961400000000, -0.0007653100000000 ] - [ -0.0071639600000000, 0.0188695300000000, 0.0099724500000000 ] - [ -0.0003909000000000, 0.0012367800000000, -0.0001690500000000 ] - [ -0.0039251700000000, -0.0007850100000000, 0.0002097900000000 ] - [ -0.0012117300000000, -0.0008526500000000, -0.0002005200000000 ] - [ 0.0036898800000000, -0.0015315200000000, -0.0006228800000000 ] - [ 0.0014953400000000, -0.0004883800000000, -0.0001720400000000 ] - [ 0.0036898800000000, -0.0015315200000000, 0.0006228800000000 ] - [ 0.0014953400000000, -0.0004883800000000, 0.0001720400000000 ] - [ -0.0039251700000000, -0.0007850100000000, -0.0002097900000000 ] - [ -0.0012117300000000, -0.0008526500000000, 0.0002005200000000 ] - [ -0.0071639600000000, 0.0188695300000000, -0.0099724500000000 ] - [ -0.0003909000000000, 0.0012367800000000, 0.0001690500000000 ] - [ 0.0033889000000000, 0.0075805300000000, 0.0000000000000000 ] - [ 0.0000916300000000, 0.0002469300000000, 0.0000000000000000 ] - [ -0.0005100000000000, 0.0016731400000000, 0.0007208700000000 ] - [ -0.0005100000000000, 0.0016731400000000, -0.0007208700000000 ] - [ -0.0016856900000000, -0.0007763500000000, -0.0002723200000000 ] - [ -0.0016856900000000, -0.0007763500000000, 0.0002723200000000 ] - [ 0.0613847000000000, 0.0047174100000000, 0.0000000000000000 ] - [ 0.0002389100000000, -0.0008160300000000, 0.0000000000000000 ] - [ 0.0063322400000000, 0.0044469000000000, 0.0000000000000000 ] - [ 0.0012842400000000, 0.0003097100000000, 0.0000000000000000 ] - [ -0.0094464800000000, 0.0031364900000000, 0.0000000000000000 ] - [ -0.0011056400000000, 0.0007855100000000, 0.0000000000000000 ] - [ 0.0027587500000000, 0.0009913400000000, 0.0044057200000000 ] - [ 0.0027587500000000, 0.0009913400000000, -0.0044057200000000 ] - [ 0.0086197800000000, 0.0014192900000000, 0.0020086600000000 ] - [ 0.0003339900000000, 0.0001197300000000, 0.0008264600000000 ] - [ -0.0039165900000000, 0.0009355600000000, 0.0040526300000000 ] - [ -0.0002231000000000, 0.0002800000000000, 0.0002895800000000 ] - [ 0.0086197800000000, 0.0014192900000000, -0.0020086600000000 ] - [ 0.0003339900000000, 0.0001197300000000, -0.0008264600000000 ] - [ -0.0033905600000000, -0.0001023700000000, 0.0000805800000000 ] - [ -0.0033905600000000, -0.0001023700000000, -0.0000805800000000 ] - [ 0.0020811700000000, -0.0016925500000000, -0.0014652100000000 ] - [ 0.0020811700000000, -0.0016925500000000, 0.0014652100000000 ] - [ 0.0012053800000000, 0.0011238300000000, 0.0002895300000000 ] - [ 0.0012053800000000, 0.0011238300000000, -0.0002895300000000 ] - [ 0.0005996400000000, -0.0044082000000000, 0.0000000000000000 ] - [ 0.0015455400000000, -0.0009425400000000, 0.0000000000000000 ] - [ 0.0099474100000000, 0.0016255800000000, 0.0000000000000000 ] - [ -0.0000462900000000, 0.0015240200000000, 0.0000000000000000 ] - [ -0.0019619600000000, 0.0013316700000000, 0.0000000000000000 ] - [ -0.0015439200000000, -0.0009994600000000, 0.0000000000000000 ] - [ -0.0039165900000000, 0.0009355600000000, -0.0040526300000000 ] - [ -0.0002231000000000, 0.0002800000000000, -0.0002895800000000 ]- atom: 19 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0033481900000000, 0.0000736200000000, 0.0000648300000000 ] - [ 0.0033481900000000, 0.0000736200000000, -0.0000648300000000 ] - [ -0.0014115400000000, 0.0028549400000000, -0.0011114800000000 ] - [ -0.0014115400000000, 0.0028549400000000, 0.0011114800000000 ] - [ -0.0014750000000000, -0.0021225600000000, -0.0011378800000000 ] - [ -0.0014750000000000, -0.0021225600000000, 0.0011378800000000 ] - [ -0.0083039800000000, 0.0331061300000000, 0.0000000000000000 ] - [ -0.0005027900000000, 0.0000159600000000, 0.0000000000000000 ] - [ -0.0005295700000000, 0.0017295400000000, 0.0000000000000000 ] - [ 0.0004021700000000, -0.0005776500000000, 0.0000000000000000 ] - [ -0.0049694200000000, -0.0004642600000000, 0.0000000000000000 ] - [ 0.0001065300000000, 0.0006366200000000, 0.0000000000000000 ] - [ 0.0009240600000000, 0.0010572200000000, 0.0010426400000000 ] - [ 0.0009240600000000, 0.0010572200000000, -0.0010426400000000 ] - [ -0.0002006000000000, 0.0005883000000000, 0.0003841700000000 ] - [ -0.0002006000000000, 0.0005883000000000, -0.0003841700000000 ] - [ -0.0008465100000000, -0.0002281200000000, 0.0003033900000000 ] - [ -0.0008465100000000, -0.0002281200000000, -0.0003033900000000 ] - [ 0.0937948400000000, 0.0122270800000000, 0.0000000000000000 ] - [ -0.0005152400000000, 0.0002345000000000, 0.0000000000000000 ] - [ -0.0000671100000000, 0.0059079800000000, 0.0000000000000000 ] - [ 0.0003900300000000, -0.0006163700000000, 0.0000000000000000 ] - [ -0.0105403200000000, 0.0001050000000000, 0.0000000000000000 ] - [ 0.0003008400000000, 0.0006695000000000, 0.0000000000000000 ] - [ -0.0015968600000000, -0.0015401200000000, 0.0039528700000000 ] - [ 0.0003080400000000, -0.0009110900000000, -0.0020531500000000 ] - [ 0.0010468700000000, 0.0013234000000000, -0.0003569900000000 ] - [ 0.0007038300000000, 0.0008600000000000, 0.0007653100000000 ] - [ -0.0014586100000000, -0.0000815000000000, 0.0006957400000000 ] - [ -0.0012062400000000, 0.0000618500000000, 0.0004769700000000 ] - [ -0.0014586100000000, -0.0000815000000000, -0.0006957400000000 ] - [ -0.0012062400000000, 0.0000618500000000, -0.0004769700000000 ] - [ 0.0010468700000000, 0.0013234000000000, 0.0003569900000000 ] - [ 0.0007038300000000, 0.0008600000000000, -0.0007653100000000 ] - [ -0.0015968600000000, -0.0015401200000000, -0.0039528700000000 ] - [ 0.0003080400000000, -0.0009110900000000, 0.0020531500000000 ] - [ 0.0068641100000000, -0.0160304200000000, -0.0096583700000000 ] - [ -0.0000546500000000, 0.0015029800000000, 0.0004731700000000 ] - [ 0.0017759700000000, -0.0009667500000000, -0.0005097400000000 ] - [ -0.0009413900000000, -0.0009048900000000, -0.0001108400000000 ] - [ -0.0010951200000000, 0.0005559800000000, 0.0003199400000000 ] - [ 0.0011060200000000, -0.0004970600000000, -0.0001396500000000 ] - [ -0.0010951200000000, 0.0005559800000000, -0.0003199400000000 ] - [ 0.0011060200000000, -0.0004970600000000, 0.0001396500000000 ] - [ 0.0017759700000000, -0.0009667500000000, 0.0005097400000000 ] - [ -0.0009413900000000, -0.0009048900000000, 0.0001108400000000 ] - [ 0.0068641100000000, -0.0160304200000000, 0.0096583700000000 ] - [ -0.0000546500000000, 0.0015029800000000, -0.0004731700000000 ] - [ -0.0033434300000000, -0.0074786900000000, 0.0000000000000000 ] - [ -0.0000873400000000, -0.0002389000000000, 0.0000000000000000 ] - [ 0.0002058900000000, -0.0026111300000000, -0.0007275800000000 ] - [ 0.0002058900000000, -0.0026111300000000, 0.0007275800000000 ] - [ 0.0026285700000000, 0.0009668700000000, 0.0002644600000000 ] - [ 0.0026285700000000, 0.0009668700000000, -0.0002644600000000 ] - [ -0.0619773100000000, -0.0052164700000000, 0.0000000000000000 ] - [ -0.0008814100000000, -0.0012620200000000, 0.0000000000000000 ] - [ -0.0042035300000000, -0.0040259500000000, 0.0000000000000000 ] - [ 0.0008536900000000, 0.0001574700000000, 0.0000000000000000 ] - [ 0.0080127900000000, -0.0015627000000000, 0.0000000000000000 ] - [ -0.0003537700000000, 0.0008188900000000, 0.0000000000000000 ] - [ -0.0033702700000000, -0.0002376100000000, -0.0043915600000000 ] - [ -0.0033702700000000, -0.0002376100000000, 0.0043915600000000 ] - [ -0.0089539000000000, -0.0012711200000000, -0.0018654400000000 ] - [ -0.0003339900000000, -0.0001172600000000, -0.0003046600000000 ] - [ 0.0039312600000000, -0.0009257300000000, -0.0029237400000000 ] - [ 0.0002230300000000, -0.0002799200000000, 0.0008462600000000 ] - [ -0.0089539000000000, -0.0012711200000000, 0.0018654400000000 ] - [ -0.0003339900000000, -0.0001172600000000, 0.0003046600000000 ] - [ -0.0000879100000000, 0.0000289900000000, -0.0000704300000000 ] - [ -0.0000879100000000, 0.0000289900000000, 0.0000704300000000 ] - [ -0.0002645400000000, -0.0012941200000000, 0.0014123800000000 ] - [ -0.0002645400000000, -0.0012941200000000, -0.0014123800000000 ] - [ 0.0004713400000000, 0.0019274900000000, -0.0002855000000000 ] - [ 0.0004713400000000, 0.0019274900000000, 0.0002855000000000 ] - [ 0.0024614600000000, 0.0028469500000000, 0.0000000000000000 ] - [ 0.0015737000000000, -0.0006012700000000, 0.0000000000000000 ] - [ -0.0096424700000000, 0.0023078900000000, 0.0000000000000000 ] - [ -0.0001796000000000, 0.0019477200000000, 0.0000000000000000 ] - [ -0.0009249100000000, -0.0032979000000000, 0.0000000000000000 ] - [ -0.0013539800000000, -0.0009335600000000, 0.0000000000000000 ] - [ 0.0039312600000000, -0.0009257300000000, 0.0029237400000000 ] - [ 0.0002230300000000, -0.0002799200000000, -0.0008462600000000 ]- atom: 19 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0028159600000000, -0.0011500800000000, -0.0016297300000000 ] - [ 0.0028159600000000, -0.0011500800000000, 0.0016297300000000 ] - [ -0.0021379800000000, 0.0036496600000000, -0.0012274600000000 ] - [ -0.0021379800000000, 0.0036496600000000, 0.0012274600000000 ] - [ -0.0003687100000000, -0.0029057000000000, -0.0004215200000000 ] - [ -0.0003687100000000, -0.0029057000000000, 0.0004215200000000 ] - [ -0.0191300900000000, 0.0357372300000000, 0.0000000000000000 ] - [ -0.0008811400000000, -0.0001223200000000, 0.0000000000000000 ] - [ -0.0027486600000000, 0.0068502700000000, 0.0000000000000000 ] - [ 0.0002755500000000, -0.0003188900000000, 0.0000000000000000 ] - [ -0.0034494100000000, -0.0013546700000000, 0.0000000000000000 ] - [ 0.0002436700000000, 0.0005414900000000, 0.0000000000000000 ] - [ -0.0002512500000000, -0.0013499000000000, 0.0012166100000000 ] - [ -0.0002512500000000, -0.0013499000000000, -0.0012166100000000 ] - [ -0.0012155400000000, 0.0009581300000000, 0.0002589000000000 ] - [ -0.0012155400000000, 0.0009581300000000, -0.0002589000000000 ] - [ -0.0002501700000000, -0.0007094500000000, 0.0004280700000000 ] - [ -0.0002501700000000, -0.0007094500000000, -0.0004280700000000 ] - [ 0.0358893600000000, -0.3484222700000000, 0.0000000000000000 ] - [ -0.0007589400000000, -0.0003725900000000, 0.0000000000000000 ] - [ -0.0049486000000000, 0.0089645300000000, 0.0000000000000000 ] - [ 0.0001416900000000, -0.0006119000000000, 0.0000000000000000 ] - [ -0.0052555200000000, -0.0024746400000000, 0.0000000000000000 ] - [ 0.0004555100000000, 0.0004712100000000, 0.0000000000000000 ] - [ 0.0004207200000000, -0.0026718800000000, -0.0005290100000000 ] - [ 0.0004117500000000, -0.0013872600000000, -0.0006956600000000 ] - [ -0.0005061800000000, 0.0029567300000000, -0.0011745700000000 ] - [ -0.0000350000000000, 0.0013837000000000, 0.0011311800000000 ] - [ 0.0001478900000000, 0.0007635700000000, 0.0000959300000000 ] - [ -0.0009040300000000, 0.0004584000000000, 0.0007113300000000 ] - [ 0.0001478900000000, 0.0007635700000000, -0.0000959300000000 ] - [ -0.0009040300000000, 0.0004584000000000, -0.0007113300000000 ] - [ -0.0005061800000000, 0.0029567300000000, 0.0011745700000000 ] - [ -0.0000350000000000, 0.0013837000000000, -0.0011311800000000 ] - [ 0.0004207200000000, -0.0026718800000000, 0.0005290100000000 ] - [ 0.0004117500000000, -0.0013872600000000, 0.0006956600000000 ] - [ 0.0131160400000000, 0.0163534600000000, 0.0120167900000000 ] - [ -0.0001273500000000, 0.0009864800000000, -0.0004374100000000 ] - [ -0.0001284600000000, 0.0098765700000000, 0.0037417200000000 ] - [ -0.0011578800000000, -0.0008302100000000, -0.0005284700000000 ] - [ -0.0006168200000000, -0.0003605700000000, -0.0001811000000000 ] - [ 0.0012288500000000, -0.0005453700000000, -0.0002749000000000 ] - [ -0.0006168200000000, -0.0003605700000000, 0.0001811000000000 ] - [ 0.0012288500000000, -0.0005453700000000, 0.0002749000000000 ] - [ -0.0001284600000000, 0.0098765700000000, -0.0037417200000000 ] - [ -0.0011578800000000, -0.0008302100000000, 0.0005284700000000 ] - [ 0.0131160400000000, 0.0163534600000000, -0.0120167900000000 ] - [ -0.0001273500000000, 0.0009864800000000, 0.0004374100000000 ] - [ 0.0020114800000000, 0.0045178700000000, 0.0000000000000000 ] - [ 0.0001410800000000, 0.0001507600000000, 0.0000000000000000 ] - [ 0.0023037500000000, -0.0036936200000000, -0.0013809200000000 ] - [ 0.0023037500000000, -0.0036936200000000, 0.0013809200000000 ] - [ 0.0011590200000000, 0.0007344600000000, -0.0007570700000000 ] - [ 0.0011590200000000, 0.0007344600000000, 0.0007570700000000 ] - [ -0.0309307200000000, 0.2545739400000000, 0.0000000000000000 ] - [ 0.0000760500000000, -0.0004196800000000, 0.0000000000000000 ] - [ 0.0017695500000000, -0.0133874700000000, 0.0000000000000000 ] - [ 0.0014004600000000, -0.0002145900000000, 0.0000000000000000 ] - [ 0.0045654100000000, 0.0014962300000000, 0.0000000000000000 ] - [ -0.0006263900000000, 0.0010119000000000, 0.0000000000000000 ] - [ -0.0025130700000000, 0.0037204100000000, -0.0002383500000000 ] - [ -0.0025130700000000, 0.0037204100000000, 0.0002383500000000 ] - [ -0.0028431200000000, 0.0061661500000000, 0.0020314400000000 ] - [ 0.0000641700000000, 0.0004174200000000, -0.0004941500000000 ] - [ 0.0059722100000000, -0.0005076500000000, -0.0040225900000000 ] - [ 0.0002943200000000, -0.0001075200000000, 0.0008686800000000 ] - [ -0.0028431200000000, 0.0061661500000000, -0.0020314400000000 ] - [ 0.0000641700000000, 0.0004174200000000, 0.0004941500000000 ] - [ -0.0012039500000000, -0.0000496500000000, 0.0004770300000000 ] - [ -0.0012039500000000, -0.0000496500000000, -0.0004770300000000 ] - [ 0.0012905600000000, -0.0019222200000000, -0.0052130200000000 ] - [ 0.0012905600000000, -0.0019222200000000, 0.0052130200000000 ] - [ 0.0002773100000000, 0.0002303100000000, 0.0023767400000000 ] - [ 0.0002773100000000, 0.0002303100000000, -0.0023767400000000 ] - [ -0.0044373600000000, -0.0027715900000000, 0.0000000000000000 ] - [ 0.0012880800000000, -0.0008487000000000, 0.0000000000000000 ] - [ -0.0040351700000000, 0.0026674800000000, 0.0000000000000000 ] - [ -0.0002764200000000, 0.0017804700000000, 0.0000000000000000 ] - [ 0.0000979900000000, -0.0071453800000000, 0.0000000000000000 ] - [ -0.0013636100000000, -0.0012274500000000, 0.0000000000000000 ] - [ 0.0059722100000000, -0.0005076500000000, 0.0040225900000000 ] - [ 0.0002943200000000, -0.0001075200000000, -0.0008686800000000 ]- atom: 19 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0009624300000000, 0.0015358400000000, 0.0016511300000000 ] - [ -0.0009624300000000, 0.0015358400000000, -0.0016511300000000 ] - [ 0.0008752900000000, -0.0022516400000000, 0.0012249500000000 ] - [ 0.0008752900000000, -0.0022516400000000, -0.0012249500000000 ] - [ -0.0002070500000000, 0.0011059000000000, 0.0004177100000000 ] - [ -0.0002070500000000, 0.0011059000000000, -0.0004177100000000 ] - [ 0.0180940600000000, -0.0367387800000000, 0.0000000000000000 ] - [ -0.0006646600000000, 0.0000438200000000, 0.0000000000000000 ] - [ 0.0036185900000000, -0.0081559000000000, 0.0000000000000000 ] - [ 0.0005662600000000, -0.0009778300000000, 0.0000000000000000 ] - [ 0.0041606300000000, 0.0027424200000000, 0.0000000000000000 ] - [ 0.0004552800000000, 0.0008303700000000, 0.0000000000000000 ] - [ 0.0004330000000000, 0.0021661200000000, -0.0012158200000000 ] - [ 0.0004330000000000, 0.0021661200000000, 0.0012158200000000 ] - [ 0.0004310000000000, -0.0012019200000000, -0.0002658900000000 ] - [ 0.0004310000000000, -0.0012019200000000, 0.0002658900000000 ] - [ 0.0008573900000000, 0.0001463900000000, -0.0004332400000000 ] - [ 0.0008573900000000, 0.0001463900000000, 0.0004332400000000 ] - [ -0.0358111600000000, 0.3652089000000000, 0.0000000000000000 ] - [ -0.0007764900000000, 0.0005840400000000, 0.0000000000000000 ] - [ 0.0054335000000000, -0.0102785500000000, 0.0000000000000000 ] - [ 0.0004430600000000, -0.0008222500000000, 0.0000000000000000 ] - [ 0.0062192600000000, 0.0036832100000000, 0.0000000000000000 ] - [ 0.0004858600000000, 0.0007553600000000, 0.0000000000000000 ] - [ -0.0002916000000000, 0.0008672300000000, -0.0007373700000000 ] - [ -0.0002579300000000, -0.0004160600000000, -0.0006149200000000 ] - [ 0.0019835800000000, -0.0019241300000000, 0.0024857200000000 ] - [ 0.0015206800000000, -0.0003449000000000, 0.0001615300000000 ] - [ -0.0017866300000000, 0.0000014900000000, 0.0012045400000000 ] - [ -0.0007400000000000, 0.0003052300000000, 0.0005853400000000 ] - [ -0.0017866300000000, 0.0000014900000000, -0.0012045400000000 ] - [ -0.0007400000000000, 0.0003052300000000, -0.0005853400000000 ] - [ 0.0019835800000000, -0.0019241300000000, -0.0024857200000000 ] - [ 0.0015206800000000, -0.0003449000000000, -0.0001615300000000 ] - [ -0.0002916000000000, 0.0008672300000000, 0.0007373700000000 ] - [ -0.0002579300000000, -0.0004160600000000, 0.0006149200000000 ] - [ -0.0137492200000000, -0.0136318200000000, -0.0117964300000000 ] - [ -0.0003162200000000, 0.0017540400000000, 0.0007358000000000 ] - [ -0.0019845500000000, -0.0115219300000000, -0.0039628300000000 ] - [ -0.0009940000000000, -0.0009278000000000, 0.0002273200000000 ] - [ 0.0032101700000000, -0.0006277000000000, -0.0001168500000000 ] - [ 0.0013675000000000, -0.0004413200000000, -0.0000241000000000 ] - [ 0.0032101700000000, -0.0006277000000000, 0.0001168500000000 ] - [ 0.0013675000000000, -0.0004413200000000, 0.0000241000000000 ] - [ -0.0019845500000000, -0.0115219300000000, 0.0039628300000000 ] - [ -0.0009940000000000, -0.0009278000000000, -0.0002273200000000 ] - [ -0.0137492200000000, -0.0136318200000000, 0.0117964300000000 ] - [ -0.0003162200000000, 0.0017540400000000, -0.0007358000000000 ] - [ -0.0020425200000000, -0.0045557700000000, 0.0000000000000000 ] - [ -0.0001392600000000, -0.0001480800000000, 0.0000000000000000 ] - [ -0.0026234100000000, 0.0027814300000000, 0.0013949500000000 ] - [ -0.0026234100000000, 0.0027814300000000, -0.0013949500000000 ] - [ -0.0002092200000000, -0.0005548800000000, 0.0007605400000000 ] - [ -0.0002092200000000, -0.0005548800000000, -0.0007605400000000 ] - [ 0.0291548500000000, -0.2726047100000000, 0.0000000000000000 ] - [ -0.0007172400000000, -0.0016696500000000, 0.0000000000000000 ] - [ 0.0003142800000000, 0.0138867900000000, 0.0000000000000000 ] - [ 0.0007349100000000, 0.0006911400000000, 0.0000000000000000 ] - [ -0.0060426800000000, 0.0001091100000000, 0.0000000000000000 ] - [ -0.0008391800000000, 0.0005846900000000, 0.0000000000000000 ] - [ 0.0018843700000000, -0.0030103300000000, 0.0001949100000000 ] - [ 0.0018843700000000, -0.0030103300000000, -0.0001949100000000 ] - [ 0.0025860800000000, -0.0061036700000000, -0.0017597700000000 ] - [ -0.0000679300000000, -0.0004191200000000, 0.0010146800000000 ] - [ -0.0060060300000000, 0.0004837600000000, 0.0052138400000000 ] - [ -0.0002939200000000, 0.0001017200000000, 0.0002703500000000 ] - [ 0.0025860800000000, -0.0061036700000000, 0.0017597700000000 ] - [ -0.0000679300000000, -0.0004191200000000, -0.0010146800000000 ] - [ -0.0022648200000000, -0.0000214500000000, -0.0004787700000000 ] - [ -0.0022648200000000, -0.0000214500000000, 0.0004787700000000 ] - [ 0.0005147000000000, -0.0010680900000000, 0.0052050300000000 ] - [ 0.0005147000000000, -0.0010680900000000, -0.0052050300000000 ] - [ 0.0014018000000000, 0.0028351100000000, -0.0023706100000000 ] - [ 0.0014018000000000, 0.0028351100000000, 0.0023706100000000 ] - [ 0.0075288200000000, 0.0012347800000000, 0.0000000000000000 ] - [ 0.0018253500000000, -0.0006866800000000, 0.0000000000000000 ] - [ 0.0037942700000000, 0.0008301700000000, 0.0000000000000000 ] - [ 0.0000448500000000, 0.0016842600000000, 0.0000000000000000 ] - [ -0.0029388100000000, 0.0052362600000000, 0.0000000000000000 ] - [ -0.0015230500000000, -0.0007021200000000, 0.0000000000000000 ] - [ -0.0060060300000000, 0.0004837600000000, -0.0052138400000000 ] - [ -0.0002939200000000, 0.0001017200000000, -0.0002703500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004383000000000, -0.0004754800000000, 0.0033953700000000 ] - [ 0.0022393600000000, 0.0008823700000000, 0.0034355000000000 ] - [ 0.0001560600000000, -0.0010639200000000, 0.0013033500000000 ] - [ -0.0014095000000000, 0.0024353700000000, 0.0013133500000000 ] - [ 0.0013147700000000, 0.0002911700000000, 0.0014574100000000 ] - [ -0.0018595000000000, -0.0020542000000000, 0.0014585900000000 ] - [ -0.0007866500000000, 0.0000463100000000, -0.0126363800000000 ] - [ -0.0007567500000000, -0.0000391900000000, 0.0011401600000000 ] - [ 0.0004029200000000, -0.0006212400000000, -0.0021614500000000 ] - [ 0.0004111500000000, -0.0006319800000000, 0.0010083100000000 ] - [ 0.0003392800000000, 0.0006655300000000, -0.0013564700000000 ] - [ 0.0003408200000000, 0.0006707800000000, 0.0010056400000000 ] - [ -0.0010383900000000, 0.0009908800000000, 0.0009106500000000 ] - [ 0.0012206600000000, -0.0002602600000000, 0.0009043900000000 ] - [ -0.0005238100000000, -0.0005154400000000, 0.0001811800000000 ] - [ -0.0002115700000000, 0.0003037600000000, 0.0001750700000000 ] - [ 0.0007174000000000, -0.0000773100000000, 0.0001307800000000 ] - [ -0.0001609700000000, -0.0004593100000000, 0.0001254400000000 ] - [ -0.0001816300000000, -0.0006194700000000, -0.0804210700000000 ] - [ -0.0007650700000000, 0.0001118100000000, 0.0012921700000000 ] - [ 0.0002817300000000, -0.0007116600000000, -0.0038116400000000 ] - [ 0.0002829800000000, -0.0007164500000000, 0.0010307700000000 ] - [ 0.0004924300000000, 0.0005966300000000, -0.0038115200000000 ] - [ 0.0004757400000000, 0.0006056100000000, 0.0010310100000000 ] - [ -0.0029867600000000, -0.0018993500000000, 0.0010739000000000 ] - [ 0.0010753200000000, -0.0006171900000000, 0.0012377000000000 ] - [ 0.0012708300000000, 0.0001751500000000, 0.0002704600000000 ] - [ 0.0008803600000000, 0.0004316400000000, 0.0015865500000000 ] - [ -0.0016629300000000, 0.0001122200000000, 0.0003408900000000 ] - [ -0.0006153000000000, 0.0009122200000000, 0.0016026900000000 ] - [ 0.0000048000000000, 0.0006394600000000, -0.0009340200000000 ] - [ -0.0010455700000000, -0.0001644900000000, 0.0003204000000000 ] - [ 0.0002055800000000, 0.0008984800000000, -0.0009930000000000 ] - [ 0.0005989700000000, 0.0006324100000000, 0.0002981500000000 ] - [ 0.0031959200000000, 0.0000933500000000, 0.0023606400000000 ] - [ -0.0008909600000000, -0.0011970800000000, 0.0025169900000000 ] - [ 0.0105152700000000, 0.0333964200000000, 0.0026995700000000 ] - [ -0.0000460900000000, 0.0015653300000000, 0.0023570400000000 ] - [ -0.0016544700000000, 0.0045626600000000, -0.0028586000000000 ] - [ -0.0008323700000000, -0.0011791900000000, 0.0015435000000000 ] - [ 0.0005592300000000, -0.0008727500000000, -0.0024355300000000 ] - [ 0.0013114400000000, -0.0002595900000000, 0.0013169100000000 ] - [ 0.0020189900000000, -0.0001194400000000, -0.0021499300000000 ] - [ 0.0012763600000000, -0.0007298400000000, 0.0015947700000000 ] - [ -0.0004962400000000, -0.0062776600000000, -0.0025752400000000 ] - [ -0.0013204000000000, -0.0005629400000000, 0.0018245200000000 ] - [ -0.0110867700000000, -0.0309053500000000, 0.0023865300000000 ] - [ -0.0003904600000000, 0.0011648000000000, 0.0020834600000000 ] - [ 0.0000016700000000, 0.0000026300000000, -0.0023551800000000 ] - [ 0.0000027300000000, 0.0000038000000000, 0.0009004200000000 ] - [ -0.0003748600000000, 0.0009920300000000, -0.0003792600000000 ] - [ 0.0000694600000000, -0.0019432900000000, -0.0003595700000000 ] - [ -0.0014300500000000, -0.0012814600000000, -0.0008069600000000 ] - [ 0.0023955400000000, 0.0014765800000000, -0.0007978000000000 ] - [ -0.0003203200000000, -0.0003038600000000, 0.0628525500000000 ] - [ -0.0003124600000000, -0.0010461600000000, -0.0029658500000000 ] - [ 0.0010773700000000, 0.0002216900000000, 0.0085546900000000 ] - [ 0.0010713900000000, 0.0002461700000000, -0.0023509500000000 ] - [ -0.0007426000000000, 0.0008132000000000, 0.0037304000000000 ] - [ -0.0007428900000000, 0.0007973700000000, -0.0021452900000000 ] - [ 0.0031770700000000, -0.0002755900000000, -0.0040891500000000 ] - [ -0.0038577500000000, 0.0010315800000000, -0.0041003400000000 ] - [ 0.0021452100000000, 0.0020624400000000, 0.0099794900000000 ] - [ 0.0004573000000000, -0.0001180000000000, -0.0022726900000000 ] - [ 0.0007904000000000, -0.0008073300000000, 0.0023151000000000 ] - [ -0.0002761400000000, 0.0002348500000000, -0.0011309600000000 ] - [ -0.0025714400000000, -0.0019161900000000, 0.0098511300000000 ] - [ -0.0004512900000000, 0.0001181100000000, -0.0027690600000000 ] - [ -0.0013418200000000, 0.0002018400000000, -0.0005157800000000 ] - [ -0.0021428200000000, -0.0002606400000000, -0.0005145700000000 ] - [ 0.0015249500000000, -0.0030859400000000, -0.0045560700000000 ] - [ 0.0002719800000000, 0.0000994700000000, -0.0045260100000000 ] - [ 0.0009737400000000, 0.0024182300000000, -0.0009677700000000 ] - [ 0.0007205100000000, 0.0006249400000000, -0.0009651800000000 ] - [ 0.0015483900000000, -0.0007805200000000, 0.0058616600000000 ] - [ 0.0015648600000000, -0.0007771200000000, -0.0014684600000000 ] - [ -0.0001430100000000, 0.0017257300000000, 0.0052370100000000 ] - [ -0.0001138900000000, 0.0017404000000000, -0.0018466100000000 ] - [ -0.0014519300000000, -0.0009805700000000, 0.0025640400000000 ] - [ -0.0014546700000000, -0.0009680700000000, -0.0014494600000000 ] - [ -0.0007658100000000, 0.0008137300000000, 0.0012017700000000 ] - [ 0.0002732800000000, -0.0002336100000000, -0.0022842600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0294804600000000, 0.0031737400000000, 0.0264263200000000 ] - [ 0.0006699400000000, 0.0002066200000000, 0.0001235600000000 ] - [ 0.0026434900000000, 0.0008902900000000, -0.0003851000000000 ] - [ -0.0004229000000000, 0.0007440600000000, 0.0002168700000000 ] - [ 0.0032535900000000, 0.0001060700000000, -0.0002744500000000 ] - [ -0.0000109300000000, -0.0008803200000000, 0.0002092200000000 ] - [ -0.0020829200000000, 0.0006409800000000, -0.0003788500000000 ] - [ -0.0011583400000000, 0.0001821800000000, 0.0005118900000000 ] - [ 0.0010386200000000, -0.0022983000000000, -0.0004879600000000 ] - [ 0.0005636100000000, -0.0011084700000000, 0.0004108200000000 ] - [ 0.0026126300000000, -0.0015208400000000, 0.0041406000000000 ] - [ -0.0000966200000000, 0.0000737900000000, -0.0001354000000000 ] - [ -0.0058826800000000, 0.0114487200000000, 0.0094717200000000 ] - [ -0.0000823900000000, 0.0003482900000000, 0.0001977900000000 ] - [ -0.0000916000000000, -0.0000670200000000, -0.0005045600000000 ] - [ -0.0002942500000000, -0.0001795500000000, 0.0002234700000000 ] - [ 0.0053458400000000, -0.0064965600000000, -0.0026499000000000 ] - [ 0.0003640300000000, -0.0004890600000000, 0.0003752500000000 ] - [ 0.0009053900000000, 0.0015006400000000, -0.0030813300000000 ] - [ -0.0010009700000000, 0.0003751500000000, 0.0009816500000000 ] - [ 0.0018190800000000, -0.0006765300000000, -0.0006433400000000 ] - [ 0.0007796100000000, -0.0009842900000000, 0.0005700700000000 ] - [ 0.0032244000000000, -0.0003512400000000, 0.0005843600000000 ] - [ 0.0016216000000000, 0.0003112300000000, 0.0001528600000000 ] - [ -0.1541374000000000, -0.0560137700000000, -0.1246229900000000 ] - [ -0.0001252500000000, -0.0009428100000000, -0.0003287100000000 ] - [ 0.0009244000000000, 0.0006862900000000, 0.0009996400000000 ] - [ 0.0010432100000000, 0.0016475900000000, 0.0004972600000000 ] - [ -0.0007667500000000, 0.0002888600000000, 0.0010189500000000 ] - [ 0.0003074100000000, -0.0012205400000000, -0.0002657100000000 ] - [ 0.0000822200000000, -0.0007464600000000, -0.0006189300000000 ] - [ -0.0007707900000000, 0.0002313600000000, -0.0002876800000000 ] - [ 0.0013758400000000, 0.0014959700000000, -0.0014557200000000 ] - [ 0.0007227100000000, 0.0006292100000000, -0.0003547100000000 ] - [ -0.0004096800000000, -0.0009639800000000, 0.0010079700000000 ] - [ -0.0125692200000000, -0.0005509000000000, -0.0060605500000000 ] - [ 0.0004196200000000, 0.0025111500000000, -0.0009828900000000 ] - [ 0.0000314600000000, 0.0016203000000000, 0.0009053000000000 ] - [ -0.0012890400000000, -0.0009745500000000, -0.0009750300000000 ] - [ -0.0010286400000000, -0.0020129800000000, 0.0016094300000000 ] - [ 0.0018954600000000, -0.0000172600000000, 0.0020266900000000 ] - [ 0.0024021200000000, -0.0012924700000000, -0.0042753100000000 ] - [ 0.0084976100000000, -0.0006527900000000, 0.0054936200000000 ] - [ 0.0014691200000000, -0.0006736900000000, -0.0003920600000000 ] - [ 0.0012127200000000, -0.0038307000000000, -0.0034876100000000 ] - [ -0.0011648900000000, -0.0008751300000000, 0.0009226400000000 ] - [ 0.0002823400000000, 0.0023220600000000, -0.0009110800000000 ] - [ 0.0001573900000000, 0.0021222600000000, 0.0010048900000000 ] - [ -0.0008127200000000, 0.0013321500000000, 0.0016248200000000 ] - [ -0.0002436600000000, 0.0002014000000000, -0.0000866400000000 ] - [ -0.0009185700000000, -0.0015759700000000, 0.0010095300000000 ] - [ -0.0002716500000000, -0.0005104500000000, -0.0004885400000000 ] - [ -0.0057714900000000, 0.0023428900000000, 0.0000795200000000 ] - [ 0.0000784100000000, 0.0002268600000000, -0.0006374000000000 ] - [ -0.0000159900000000, -0.0044988900000000, 0.0019687600000000 ] - [ -0.0001063800000000, -0.0016751200000000, -0.0017290600000000 ] - [ -0.0009643500000000, 0.0015922000000000, 0.0034395600000000 ] - [ 0.0003598000000000, 0.0007692300000000, -0.0015316400000000 ] - [ -0.0047109500000000, 0.0028869100000000, -0.0061699700000000 ] - [ -0.0011852900000000, 0.0029663200000000, 0.0018591200000000 ] - [ 0.1231779700000000, 0.0415576300000000, 0.0992414400000000 ] - [ 0.0002476600000000, 0.0005395000000000, -0.0004727200000000 ] - [ -0.0070221200000000, 0.0000541700000000, 0.0042360100000000 ] - [ -0.0004479900000000, 0.0000029200000000, -0.0003211900000000 ] - [ 0.0034797300000000, 0.0058693800000000, 0.0007685200000000 ] - [ 0.0002219900000000, 0.0001744500000000, 0.0000561700000000 ] - [ -0.0012824400000000, 0.0000612800000000, -0.0001116800000000 ] - [ -0.0050617100000000, 0.0000004500000000, -0.0040188000000000 ] - [ 0.0010325400000000, 0.0004434400000000, 0.0029936000000000 ] - [ -0.0015865800000000, -0.0000234800000000, -0.0008292900000000 ] - [ -0.0015354800000000, -0.0054223200000000, 0.0004728100000000 ] - [ 0.0008972000000000, -0.0017323000000000, -0.0002495700000000 ] - [ 0.0016680800000000, 0.0072037600000000, -0.0006644400000000 ] - [ 0.0010051800000000, 0.0017085100000000, -0.0003094800000000 ] - [ 0.0012331600000000, -0.0008932000000000, 0.0001536800000000 ] - [ 0.0012914900000000, -0.0008694000000000, -0.0000705600000000 ] - [ 0.0057128300000000, 0.0012072400000000, -0.0032756000000000 ] - [ 0.0007308300000000, 0.0019497800000000, -0.0005036400000000 ] - [ -0.0025773000000000, -0.0028606800000000, -0.0007979600000000 ] - [ -0.0017493000000000, -0.0016773800000000, 0.0001006900000000 ] - [ 0.0007595000000000, 0.0008517400000000, -0.0013148300000000 ] - [ 0.0026069300000000, 0.0000603900000000, -0.0009442000000000 ]- atom: 25 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0282816100000000, -0.0027968600000000, -0.0269919200000000 ] - [ 0.0011740900000000, 0.0001873500000000, -0.0001232200000000 ] - [ -0.0038958300000000, 0.0005357100000000, 0.0003879500000000 ] - [ -0.0008433600000000, 0.0006571000000000, -0.0002170100000000 ] - [ -0.0038277800000000, -0.0019096400000000, 0.0002766900000000 ] - [ -0.0005628900000000, -0.0009118300000000, -0.0002084900000000 ] - [ 0.0005250400000000, -0.0007076800000000, 0.0003698300000000 ] - [ -0.0004003200000000, -0.0002569400000000, -0.0005077300000000 ] - [ -0.0001929800000000, 0.0009906700000000, 0.0004901800000000 ] - [ 0.0002821500000000, -0.0001972200000000, -0.0004109100000000 ] - [ -0.0019002200000000, 0.0028896700000000, -0.0041123500000000 ] - [ 0.0007854600000000, 0.0013077800000000, 0.0001386900000000 ] - [ 0.0062405200000000, -0.0106112000000000, -0.0094387200000000 ] - [ 0.0002688600000000, 0.0004540500000000, -0.0001982500000000 ] - [ -0.0006939700000000, -0.0001573500000000, 0.0005040100000000 ] - [ -0.0004862100000000, -0.0000557700000000, -0.0002229400000000 ] - [ -0.0047122500000000, 0.0058612000000000, 0.0026200200000000 ] - [ 0.0002339300000000, -0.0000794000000000, -0.0003740400000000 ] - [ -0.0024426500000000, -0.0012862700000000, 0.0031015500000000 ] - [ -0.0005269200000000, -0.0001577700000000, -0.0009834500000000 ] - [ -0.0012416800000000, -0.0007587300000000, 0.0006476300000000 ] - [ -0.0001996500000000, -0.0004467300000000, -0.0005761800000000 ] - [ -0.0022736000000000, 0.0015674500000000, -0.0005756000000000 ] - [ -0.0006802800000000, 0.0009074500000000, -0.0001624300000000 ] - [ 0.1552849900000000, 0.0558417200000000, 0.1282914800000000 ] - [ 0.0002819300000000, -0.0008519800000000, -0.0009574500000000 ] - [ 0.0005538200000000, 0.0003509200000000, 0.0002923400000000 ] - [ 0.0004344900000000, -0.0005919900000000, 0.0007867700000000 ] - [ -0.0008713700000000, 0.0004708300000000, 0.0002750900000000 ] - [ -0.0019418100000000, 0.0019657700000000, 0.0015452700000000 ] - [ -0.0017186900000000, 0.0014957300000000, -0.0006631500000000 ] - [ -0.0008689800000000, 0.0005280800000000, -0.0010030000000000 ] - [ 0.0001026700000000, -0.0004423000000000, 0.0001698100000000 ] - [ 0.0007532400000000, 0.0004073800000000, -0.0009355100000000 ] - [ 0.0005647600000000, -0.0008289800000000, 0.0002747200000000 ] - [ 0.0127750000000000, -0.0012157100000000, 0.0076599000000000 ] - [ -0.0008612700000000, 0.0002264700000000, 0.0012968100000000 ] - [ -0.0004791500000000, 0.0011188000000000, -0.0005934400000000 ] - [ -0.0008586300000000, -0.0007851200000000, 0.0006619500000000 ] - [ -0.0011119400000000, 0.0002578300000000, -0.0019296700000000 ] - [ 0.0007003100000000, -0.0009615500000000, -0.0023255800000000 ] - [ 0.0001889500000000, 0.0003033800000000, 0.0039125700000000 ] - [ -0.0058257400000000, -0.0003191600000000, -0.0051212800000000 ] - [ 0.0011249700000000, -0.0003071500000000, 0.0006929400000000 ] - [ -0.0033701000000000, 0.0020923000000000, 0.0038168900000000 ] - [ -0.0009807700000000, -0.0008850000000000, -0.0006131900000000 ] - [ -0.0007286900000000, 0.0004164300000000, 0.0005986000000000 ] - [ -0.0005992900000000, 0.0006139800000000, -0.0013182000000000 ] - [ 0.0007966500000000, -0.0013425800000000, -0.0016246200000000 ] - [ 0.0002373800000000, -0.0002070200000000, 0.0000877600000000 ] - [ 0.0006019300000000, 0.0006069000000000, -0.0010069900000000 ] - [ -0.0000464900000000, -0.0004120000000000, 0.0004892600000000 ] - [ 0.0067061700000000, -0.0021306100000000, -0.0000844100000000 ] - [ 0.0008732900000000, -0.0000433200000000, 0.0006364700000000 ] - [ -0.0006598900000000, 0.0024164100000000, -0.0019667500000000 ] - [ -0.0005601300000000, -0.0004090000000000, 0.0017279100000000 ] - [ 0.0030949300000000, -0.0011251000000000, -0.0034434700000000 ] - [ 0.0017728700000000, -0.0003076600000000, 0.0015381600000000 ] - [ 0.0032560300000000, -0.0012593300000000, 0.0061357000000000 ] - [ -0.0002554000000000, -0.0013353000000000, -0.0018343100000000 ] - [ -0.1251436000000000, -0.0425635000000000, -0.1035895700000000 ] - [ -0.0008943800000000, 0.0001938100000000, 0.0004744200000000 ] - [ 0.0070244000000000, -0.0000535700000000, -0.0037431800000000 ] - [ 0.0004438200000000, -0.0000038200000000, 0.0008489800000000 ] - [ -0.0034247500000000, -0.0059068000000000, 0.0003755300000000 ] - [ -0.0002236800000000, -0.0001754600000000, 0.0010787200000000 ] - [ 0.0012786100000000, -0.0000603200000000, -0.0004170100000000 ] - [ 0.0050631300000000, 0.0000055300000000, 0.0035239200000000 ] - [ -0.0038808400000000, -0.0003716300000000, -0.0033402700000000 ] - [ -0.0018921900000000, -0.0000443900000000, 0.0008290600000000 ] - [ 0.0033059900000000, 0.0024366900000000, -0.0004703300000000 ] - [ 0.0009040700000000, -0.0012498800000000, 0.0002506100000000 ] - [ -0.0000139000000000, -0.0041470400000000, 0.0006576100000000 ] - [ 0.0006774100000000, 0.0013494300000000, 0.0003106700000000 ] - [ 0.0018818200000000, -0.0006447400000000, -0.0001567800000000 ] - [ 0.0018267100000000, -0.0006705600000000, 0.0000730300000000 ] - [ -0.0058760600000000, 0.0022658900000000, 0.0032469000000000 ] - [ -0.0009643600000000, 0.0015477400000000, 0.0004690900000000 ] - [ -0.0003195700000000, 0.0009180400000000, 0.0007898100000000 ] - [ -0.0011494000000000, -0.0002630900000000, -0.0000951400000000 ] - [ -0.0007580300000000, -0.0008516500000000, 0.0001782300000000 ] - [ -0.0025790600000000, -0.0000878000000000, -0.0001970400000000 ]- atom: 25 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0176609800000000, -0.0110480700000000, -0.0150133600000000 ] - [ 0.0008464100000000, 0.0000477100000000, 0.0002042500000000 ] - [ -0.0021153600000000, 0.0018262800000000, -0.0001238500000000 ] - [ -0.0007627400000000, 0.0007009600000000, 0.0000715900000000 ] - [ -0.0024950600000000, -0.0017620900000000, -0.0001044200000000 ] - [ -0.0003282000000000, -0.0008671300000000, 0.0000440300000000 ] - [ 0.0012648200000000, 0.0002934400000000, -0.0017834800000000 ] - [ -0.0004790000000000, -0.0003026300000000, 0.0007287000000000 ] - [ -0.0009391100000000, 0.0025967700000000, -0.0001045500000000 ] - [ 0.0001001900000000, 0.0001706900000000, 0.0002350400000000 ] - [ -0.0032806000000000, 0.0005132100000000, -0.0042502100000000 ] - [ 0.0004366600000000, 0.0004037600000000, 0.0002687500000000 ] - [ 0.0186703100000000, 0.0179646700000000, 0.0207244100000000 ] - [ 0.0000837600000000, 0.0000027900000000, 0.0000806100000000 ] - [ -0.0015596900000000, 0.0019224600000000, 0.0002724700000000 ] - [ -0.0004704700000000, 0.0000727100000000, 0.0000541400000000 ] - [ -0.0063681900000000, 0.0035939700000000, 0.0024970700000000 ] - [ 0.0001718700000000, -0.0002217100000000, -0.0000968700000000 ] - [ -0.0010519900000000, -0.0020310100000000, 0.0006775800000000 ] - [ -0.0006420900000000, -0.0004944100000000, -0.0002362500000000 ] - [ -0.0013307400000000, -0.0009112900000000, 0.0008378300000000 ] - [ -0.0000161200000000, -0.0004489300000000, -0.0002141100000000 ] - [ -0.0010135900000000, 0.0004972300000000, -0.0000471700000000 ] - [ 0.0001123700000000, 0.0005047000000000, -0.0000150900000000 ] - [ 0.0287287400000000, -0.0517197100000000, -0.0257410100000000 ] - [ 0.0001469900000000, -0.0009446800000000, -0.0002436600000000 ] - [ 0.0008729100000000, 0.0006603600000000, 0.0007077100000000 ] - [ 0.0006928500000000, 0.0017975800000000, 0.0007494800000000 ] - [ -0.0010088000000000, 0.0007595500000000, 0.0007636900000000 ] - [ -0.0018995300000000, 0.0022907200000000, 0.0011092400000000 ] - [ -0.0019088500000000, 0.0023435000000000, -0.0013513200000000 ] - [ -0.0008280600000000, 0.0004814900000000, -0.0005004800000000 ] - [ 0.0009265700000000, 0.0016715400000000, -0.0009762400000000 ] - [ 0.0006921700000000, 0.0005547100000000, -0.0004647000000000 ] - [ 0.0002680200000000, -0.0018792200000000, 0.0018543600000000 ] - [ 0.0067301500000000, -0.0147997500000000, 0.0000800300000000 ] - [ 0.0004740800000000, 0.0008863700000000, -0.0006445500000000 ] - [ -0.0001309800000000, 0.0012489500000000, 0.0004793400000000 ] - [ -0.0019778700000000, -0.0002899800000000, 0.0011231200000000 ] - [ -0.0013558800000000, -0.0003446000000000, -0.0014213900000000 ] - [ 0.0009356200000000, -0.0015550200000000, -0.0010616000000000 ] - [ 0.0010020200000000, -0.0003524300000000, 0.0008352600000000 ] - [ -0.0006031900000000, -0.0019285400000000, -0.0011672500000000 ] - [ 0.0012323800000000, -0.0005355300000000, 0.0004877500000000 ] - [ -0.0063385700000000, 0.0027613500000000, 0.0044786000000000 ] - [ -0.0011673600000000, -0.0007771500000000, 0.0000411700000000 ] - [ 0.0002763500000000, 0.0011169300000000, -0.0004178700000000 ] - [ 0.0002942200000000, 0.0008236300000000, 0.0006147900000000 ] - [ 0.0019712400000000, 0.0024837800000000, 0.0017977000000000 ] - [ 0.0002252200000000, 0.0001592100000000, 0.0000145400000000 ] - [ 0.0005397700000000, -0.0025783200000000, 0.0004595300000000 ] - [ -0.0000498100000000, -0.0005083700000000, -0.0002242400000000 ] - [ 0.0056129500000000, -0.0029384500000000, 0.0009776600000000 ] - [ 0.0006542400000000, -0.0001972400000000, -0.0001260400000000 ] - [ -0.0031183000000000, 0.0015529200000000, 0.0011327200000000 ] - [ -0.0007638300000000, 0.0000331000000000, -0.0008699700000000 ] - [ 0.0042126800000000, -0.0028053700000000, -0.0042408000000000 ] - [ 0.0017563300000000, -0.0007144700000000, 0.0007219600000000 ] - [ 0.0030303300000000, 0.0032132000000000, 0.0017450500000000 ] - [ -0.0004324500000000, 0.0005493300000000, -0.0006648000000000 ] - [ -0.0255893100000000, 0.0550351700000000, 0.0054483700000000 ] - [ 0.0000022400000000, 0.0008575000000000, -0.0007353100000000 ] - [ 0.0034467300000000, 0.0011315600000000, -0.0012504000000000 ] - [ 0.0001353300000000, 0.0001180100000000, 0.0002019000000000 ] - [ 0.0033211200000000, -0.0112104700000000, 0.0053437200000000 ] - [ 0.0000482000000000, -0.0000124900000000, 0.0002544300000000 ] - [ 0.0006058500000000, 0.0004647000000000, -0.0004499300000000 ] - [ 0.0022449300000000, 0.0003000300000000, 0.0016569000000000 ] - [ -0.0039354800000000, 0.0052315000000000, -0.0002892500000000 ] - [ -0.0020785400000000, 0.0001452900000000, -0.0000211200000000 ] - [ -0.0027487500000000, -0.0022415500000000, 0.0005609000000000 ] - [ 0.0008261600000000, -0.0016189100000000, -0.0001841700000000 ] - [ 0.0051339800000000, -0.0055179300000000, 0.0037394400000000 ] - [ 0.0009863500000000, 0.0012663400000000, -0.0005908000000000 ] - [ 0.0020714700000000, -0.0028031700000000, 0.0001467500000000 ] - [ 0.0015150300000000, -0.0009817500000000, -0.0003389000000000 ] - [ -0.0035933800000000, 0.0079506700000000, 0.0046906000000000 ] - [ -0.0003233400000000, 0.0016343100000000, 0.0003530900000000 ] - [ -0.0027307800000000, -0.0008892100000000, 0.0004701000000000 ] - [ -0.0015333200000000, -0.0010846500000000, -0.0004777700000000 ] - [ -0.0000688400000000, -0.0006622200000000, 0.0006506400000000 ] - [ 0.0013995300000000, -0.0006562300000000, -0.0039441000000000 ]- atom: 25 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0193762000000000, 0.0113308700000000, 0.0149614000000000 ] - [ 0.0009772900000000, 0.0003499200000000, -0.0001983400000000 ] - [ 0.0008616200000000, -0.0004554100000000, 0.0001174000000000 ] - [ -0.0004974300000000, 0.0006796200000000, -0.0000665400000000 ] - [ 0.0019496600000000, -0.0000022300000000, 0.0001004700000000 ] - [ -0.0002300500000000, -0.0009078000000000, -0.0000391400000000 ] - [ -0.0028494500000000, -0.0003640900000000, 0.0017915100000000 ] - [ -0.0010835800000000, 0.0002344700000000, -0.0007252700000000 ] - [ 0.0017835600000000, -0.0039073700000000, 0.0001249200000000 ] - [ 0.0007452800000000, -0.0014858500000000, -0.0002335400000000 ] - [ 0.0040205400000000, 0.0008802300000000, 0.0042830000000000 ] - [ 0.0002646300000000, 0.0009863200000000, -0.0002597300000000 ] - [ -0.0186951200000000, -0.0173426000000000, -0.0208927400000000 ] - [ 0.0001066900000000, 0.0007821600000000, -0.0000750200000000 ] - [ 0.0007605700000000, -0.0021565600000000, -0.0002867700000000 ] - [ -0.0002982000000000, -0.0002971700000000, -0.0000480400000000 ] - [ 0.0070275800000000, -0.0042007700000000, -0.0025513400000000 ] - [ 0.0004080200000000, -0.0003383500000000, 0.0001025700000000 ] - [ -0.0004819600000000, 0.0022525300000000, -0.0006878600000000 ] - [ -0.0008899500000000, 0.0007238000000000, 0.0002450300000000 ] - [ 0.0018920600000000, -0.0005404500000000, -0.0008307600000000 ] - [ 0.0005918600000000, -0.0009933100000000, 0.0002166300000000 ] - [ 0.0019724000000000, 0.0007289600000000, 0.0000459700000000 ] - [ 0.0008347700000000, 0.0007243100000000, 0.0000179600000000 ] - [ -0.0291287300000000, 0.0496451500000000, 0.0229910200000000 ] - [ 0.0000228400000000, -0.0008446100000000, -0.0010121200000000 ] - [ 0.0005967400000000, 0.0003816500000000, 0.0005712400000000 ] - [ 0.0007739000000000, -0.0007504600000000, 0.0005113900000000 ] - [ -0.0006295300000000, -0.0000091700000000, 0.0005166300000000 ] - [ 0.0002668300000000, -0.0015510800000000, 0.0001433400000000 ] - [ 0.0002744300000000, -0.0015902700000000, 0.0000758500000000 ] - [ -0.0008112900000000, 0.0002662000000000, -0.0007655600000000 ] - [ 0.0005427000000000, -0.0006282700000000, -0.0003022700000000 ] - [ 0.0007737500000000, 0.0004881600000000, -0.0007985900000000 ] - [ -0.0001016100000000, 0.0000827700000000, -0.0005711500000000 ] - [ -0.0065159400000000, 0.0130385400000000, 0.0014260500000000 ] - [ -0.0009224700000000, 0.0018578100000000, 0.0009509100000000 ] - [ -0.0003172400000000, 0.0014933200000000, -0.0001583000000000 ] - [ -0.0001715600000000, -0.0014728200000000, -0.0014253000000000 ] - [ -0.0007885800000000, -0.0014268400000000, 0.0011051900000000 ] - [ 0.0016654200000000, 0.0005799100000000, 0.0007538200000000 ] - [ 0.0015871900000000, -0.0006248200000000, -0.0011471100000000 ] - [ 0.0032146000000000, 0.0009555400000000, 0.0014749300000000 ] - [ 0.0013643700000000, -0.0004443600000000, -0.0001671500000000 ] - [ 0.0041160500000000, -0.0044821900000000, -0.0041178800000000 ] - [ -0.0009793700000000, -0.0009846000000000, 0.0002798200000000 ] - [ -0.0007278500000000, 0.0016262600000000, 0.0001050100000000 ] - [ -0.0007425400000000, 0.0019197900000000, -0.0009312000000000 ] - [ -0.0019639900000000, -0.0024720100000000, -0.0017861300000000 ] - [ -0.0002291800000000, -0.0001682300000000, -0.0000120300000000 ] - [ -0.0008469800000000, 0.0016692700000000, -0.0004425300000000 ] - [ -0.0002660600000000, -0.0004120200000000, 0.0002133100000000 ] - [ -0.0046883400000000, 0.0031183700000000, -0.0009692200000000 ] - [ 0.0002952000000000, 0.0003802100000000, 0.0001142300000000 ] - [ 0.0024773400000000, -0.0036560700000000, -0.0011255900000000 ] - [ 0.0001021200000000, -0.0021339000000000, 0.0008644000000000 ] - [ -0.0020629100000000, 0.0032853200000000, 0.0042112000000000 ] - [ 0.0003824100000000, 0.0011869200000000, -0.0007274600000000 ] - [ -0.0045086100000000, -0.0016167300000000, -0.0017461700000000 ] - [ -0.0010178200000000, 0.0010613500000000, 0.0006557400000000 ] - [ 0.0257081600000000, -0.0537476200000000, -0.0041811100000000 ] - [ -0.0006415100000000, -0.0001239700000000, 0.0007197200000000 ] - [ -0.0034622000000000, -0.0011286000000000, 0.0017966500000000 ] - [ -0.0001380400000000, -0.0001190900000000, 0.0003143600000000 ] - [ -0.0033003800000000, 0.0112004700000000, -0.0042208500000000 ] - [ -0.0000512800000000, 0.0000101800000000, 0.0008676700000000 ] - [ -0.0006070800000000, -0.0004598300000000, -0.0000820200000000 ] - [ -0.0022656500000000, -0.0003042700000000, -0.0021906800000000 ] - [ 0.0005075700000000, -0.0052600700000000, 0.0003142900000000 ] - [ -0.0014075000000000, -0.0002001400000000, 0.0000100000000000 ] - [ 0.0045197700000000, -0.0007668600000000, -0.0005522700000000 ] - [ 0.0009656700000000, -0.0013721300000000, 0.0001758400000000 ] - [ -0.0033964700000000, 0.0085544500000000, -0.0036892200000000 ] - [ 0.0007084300000000, 0.0017880800000000, 0.0005784300000000 ] - [ 0.0010440300000000, 0.0012497200000000, -0.0001511600000000 ] - [ 0.0016055800000000, -0.0005640800000000, 0.0003414200000000 ] - [ 0.0033886000000000, -0.0044712700000000, -0.0045529900000000 ] - [ 0.0000912800000000, 0.0018681800000000, -0.0003941700000000 ] - [ -0.0001725800000000, -0.0010444200000000, -0.0004723600000000 ] - [ -0.0013670100000000, -0.0008458400000000, 0.0004758600000000 ] - [ 0.0000673500000000, 0.0006607400000000, -0.0017972500000000 ] - [ -0.0013790300000000, 0.0006269900000000, 0.0028197700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0144663700000000, 0.0023246100000000, -0.0020090300000000 ] - [ 0.0004748100000000, 0.0001526200000000, 0.0018497400000000 ] - [ -0.0005333200000000, 0.0001412200000000, -0.0016970000000000 ] - [ -0.0006539100000000, 0.0007427400000000, 0.0014243700000000 ] - [ 0.0002922000000000, -0.0002329200000000, -0.0015194500000000 ] - [ -0.0002152900000000, -0.0008997100000000, 0.0013782400000000 ] - [ -0.0020470300000000, -0.0024330300000000, 0.0004108000000000 ] - [ -0.0003244900000000, 0.0008797500000000, 0.0015971800000000 ] - [ 0.0001457100000000, 0.0000018400000000, -0.0000507100000000 ] - [ 0.0004209200000000, -0.0007870900000000, 0.0011567400000000 ] - [ 0.0061064700000000, -0.0014765400000000, 0.0039883500000000 ] - [ -0.0013230300000000, 0.0011601500000000, 0.0022605700000000 ] - [ 0.0087387600000000, 0.0161766500000000, -0.0010335000000000 ] - [ -0.0001276200000000, -0.0000948300000000, 0.0018003600000000 ] - [ -0.0006613600000000, 0.0001347700000000, -0.0019531800000000 ] - [ -0.0004697700000000, -0.0001451400000000, 0.0014029400000000 ] - [ -0.0013696200000000, 0.0014072100000000, -0.0027694800000000 ] - [ 0.0004625100000000, -0.0004114400000000, 0.0015470200000000 ] - [ -0.0054235000000000, -0.0024436700000000, 0.0017190100000000 ] - [ 0.0006244900000000, 0.0008762700000000, 0.0018800100000000 ] - [ -0.0003151400000000, -0.0010212700000000, -0.0003029600000000 ] - [ 0.0005252300000000, -0.0007925200000000, 0.0009643200000000 ] - [ 0.0023139900000000, 0.0007235700000000, -0.0003654800000000 ] - [ -0.0000007000000000, 0.0007652700000000, 0.0009478700000000 ] - [ -0.1223618700000000, -0.0998227900000000, -0.3214724700000000 ] - [ 0.0003747300000000, -0.0002878300000000, 0.0031960400000000 ] - [ 0.0012546500000000, 0.0003662000000000, 0.0025419600000000 ] - [ 0.0003369800000000, 0.0013135100000000, -0.0006553300000000 ] - [ -0.0008894000000000, 0.0008485000000000, 0.0025422700000000 ] - [ -0.0009451300000000, 0.0003091500000000, -0.0006506000000000 ] - [ -0.0011617000000000, 0.0015363800000000, -0.0036100700000000 ] - [ -0.0006548300000000, -0.0000309800000000, 0.0013905300000000 ] - [ 0.0014508100000000, 0.0009349700000000, -0.0036074400000000 ] - [ 0.0002686300000000, 0.0006398400000000, 0.0013896700000000 ] - [ -0.0003046300000000, -0.0025319300000000, 0.0060078600000000 ] - [ 0.0068794000000000, 0.0037946300000000, 0.0549937300000000 ] - [ -0.0007981100000000, 0.0006913900000000, -0.0034400500000000 ] - [ 0.0002981500000000, 0.0018824600000000, 0.0024367900000000 ] - [ -0.0032953500000000, 0.0004562100000000, 0.0012470500000000 ] - [ 0.0002985400000000, -0.0023156800000000, 0.0009707100000000 ] - [ 0.0021565600000000, 0.0001417800000000, 0.0013156700000000 ] - [ -0.0001569100000000, -0.0004137700000000, 0.0011160700000000 ] - [ 0.0059401300000000, 0.0001396700000000, -0.0017886600000000 ] - [ 0.0011309000000000, -0.0010370700000000, 0.0025130100000000 ] - [ -0.0045996300000000, 0.0012257500000000, -0.0017259000000000 ] - [ -0.0008079700000000, -0.0011226400000000, 0.0024295900000000 ] - [ -0.0008220800000000, 0.0005520000000000, 0.0010284300000000 ] - [ 0.0003332700000000, 0.0019446800000000, 0.0005687800000000 ] - [ 0.0034490200000000, 0.0068103300000000, 0.0010206400000000 ] - [ -0.0009676300000000, -0.0021288800000000, 0.0014300700000000 ] - [ -0.0002049500000000, -0.0004022300000000, 0.0035894100000000 ] - [ -0.0000533100000000, -0.0004545400000000, -0.0030158500000000 ] - [ 0.0012120600000000, -0.0016667300000000, 0.0033953400000000 ] - [ 0.0002380900000000, 0.0001447900000000, -0.0031262200000000 ] - [ 0.0033650600000000, 0.0039606300000000, 0.0012142800000000 ] - [ -0.0018418700000000, -0.0028726500000000, -0.0028100100000000 ] - [ 0.0029594800000000, -0.0008728300000000, 0.0001233400000000 ] - [ 0.0004501100000000, 0.0006488600000000, -0.0025508900000000 ] - [ -0.0064855100000000, -0.0017065200000000, -0.0013322400000000 ] - [ 0.0013043000000000, 0.0014973700000000, -0.0031670600000000 ] - [ 0.0988698600000000, 0.0639369100000000, 0.2290014300000000 ] - [ 0.0007584700000000, 0.0010073400000000, -0.0056126900000000 ] - [ -0.0006434400000000, 0.0002024800000000, 0.0062924900000000 ] - [ -0.0001528700000000, 0.0001139300000000, -0.0024682500000000 ] - [ -0.0003603800000000, 0.0062388400000000, 0.0078236200000000 ] - [ 0.0000124900000000, -0.0002998100000000, -0.0025519000000000 ] - [ 0.0006037000000000, -0.0000891400000000, -0.0024674700000000 ] - [ -0.0022983600000000, 0.0001037000000000, -0.0013416300000000 ] - [ -0.0003432800000000, 0.0003944400000000, 0.0149852000000000 ] - [ -0.0022268400000000, -0.0001013200000000, -0.0033537100000000 ] - [ -0.0020338000000000, -0.0039457800000000, 0.0033401000000000 ] - [ 0.0009869000000000, -0.0014901600000000, -0.0028403400000000 ] - [ 0.0003977900000000, 0.0041977400000000, 0.0051778700000000 ] - [ 0.0010145200000000, 0.0012936600000000, -0.0032766400000000 ] - [ 0.0022680300000000, -0.0025284700000000, 0.0007651200000000 ] - [ 0.0010516800000000, -0.0002620600000000, -0.0009464300000000 ] - [ -0.0039847500000000, 0.0052899000000000, 0.0151190000000000 ] - [ -0.0007978100000000, 0.0050200400000000, -0.0077940000000000 ] - [ -0.0037503900000000, -0.0016538500000000, 0.0004704100000000 ] - [ -0.0006469600000000, -0.0006839400000000, -0.0012567100000000 ] - [ 0.0000469900000000, 0.0012695200000000, -0.0033834700000000 ] - [ 0.0027717500000000, -0.0049345100000000, -0.0018172000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0125991900000000, -0.0019475400000000, 0.0021468000000000 ] - [ 0.0013606200000000, 0.0002405100000000, -0.0018432200000000 ] - [ -0.0007313600000000, 0.0012528000000000, 0.0016926300000000 ] - [ -0.0006119300000000, 0.0006577400000000, -0.0014222000000000 ] - [ -0.0008753900000000, -0.0015549700000000, 0.0015157400000000 ] - [ -0.0003596800000000, -0.0008915300000000, -0.0013755200000000 ] - [ 0.0004925800000000, 0.0023348800000000, -0.0004181900000000 ] - [ -0.0012320000000000, -0.0009656400000000, -0.0015889500000000 ] - [ 0.0006949600000000, -0.0012936900000000, 0.0000328400000000 ] - [ 0.0004228800000000, -0.0005127200000000, -0.0011491800000000 ] - [ -0.0053469800000000, 0.0028258700000000, -0.0039682700000000 ] - [ 0.0020394300000000, 0.0002142100000000, -0.0022591900000000 ] - [ -0.0085604400000000, -0.0153611200000000, 0.0011980200000000 ] - [ 0.0003115700000000, 0.0008901400000000, -0.0017945700000000 ] - [ -0.0001291500000000, -0.0003719400000000, 0.0019527800000000 ] - [ -0.0003226400000000, -0.0000946700000000, -0.0014001500000000 ] - [ 0.0019303300000000, -0.0019391400000000, 0.0027896000000000 ] - [ 0.0001469400000000, -0.0001636000000000, -0.0015440900000000 ] - [ 0.0038397100000000, 0.0026487900000000, -0.0017137700000000 ] - [ -0.0021762600000000, -0.0006602500000000, -0.0018737800000000 ] - [ 0.0008851600000000, -0.0004246000000000, 0.0002878000000000 ] - [ 0.0000476500000000, -0.0006500000000000, -0.0009567900000000 ] - [ -0.0013561300000000, 0.0005070100000000, 0.0003535300000000 ] - [ 0.0009548800000000, 0.0004639000000000, -0.0009370900000000 ] - [ 0.1306828000000000, 0.1025568800000000, 0.3301173400000000 ] - [ -0.0002225800000000, -0.0015187200000000, -0.0044834200000000 ] - [ 0.0002354500000000, 0.0006668900000000, -0.0012404400000000 ] - [ 0.0011540900000000, -0.0002714700000000, 0.0019584700000000 ] - [ -0.0007528700000000, -0.0000769700000000, -0.0012393000000000 ] - [ -0.0007079900000000, 0.0004711700000000, 0.0019600600000000 ] - [ -0.0004882900000000, -0.0007621100000000, 0.0022951600000000 ] - [ -0.0009871700000000, 0.0007998600000000, -0.0026836700000000 ] - [ 0.0000410900000000, 0.0001029000000000, 0.0022978300000000 ] - [ 0.0012190700000000, 0.0003938400000000, -0.0026838100000000 ] - [ 0.0004574000000000, 0.0007087900000000, -0.0046741800000000 ] - [ -0.0068130200000000, -0.0056653900000000, -0.0551372600000000 ] - [ 0.0003473100000000, 0.0020468400000000, 0.0037154700000000 ] - [ -0.0007469500000000, 0.0008583900000000, -0.0021242100000000 ] - [ 0.0011075100000000, -0.0021952100000000, -0.0015617500000000 ] - [ -0.0024591400000000, 0.0005581900000000, -0.0012585000000000 ] - [ 0.0004500100000000, -0.0011240000000000, -0.0016290300000000 ] - [ 0.0027635600000000, -0.0005626200000000, -0.0013883100000000 ] - [ -0.0033152700000000, -0.0011178500000000, 0.0020528600000000 ] - [ 0.0014720100000000, 0.0000519700000000, -0.0021937700000000 ] - [ 0.0024503200000000, -0.0029856700000000, 0.0019803200000000 ] - [ -0.0013533700000000, -0.0006307400000000, -0.0021136300000000 ] - [ 0.0003720900000000, 0.0021865000000000, -0.0013340900000000 ] - [ -0.0007810500000000, 0.0007982000000000, -0.0008523800000000 ] - [ -0.0034093100000000, -0.0067364000000000, -0.0010402000000000 ] - [ 0.0009802400000000, 0.0021534500000000, -0.0014251800000000 ] - [ -0.0001183600000000, -0.0005092500000000, -0.0035840400000000 ] - [ -0.0002625400000000, -0.0004594100000000, 0.0030094300000000 ] - [ -0.0002301600000000, 0.0018200900000000, -0.0033850200000000 ] - [ 0.0007045500000000, 0.0000347800000000, 0.0031184000000000 ] - [ -0.0039978900000000, -0.0060171800000000, -0.0011938000000000 ] - [ 0.0012060900000000, 0.0007982300000000, 0.0027861400000000 ] - [ -0.0008061700000000, 0.0013331200000000, -0.0000734000000000 ] - [ 0.0016917800000000, -0.0001747700000000, 0.0025311400000000 ] - [ 0.0049995000000000, 0.0032903100000000, 0.0013638400000000 ] - [ -0.0027884800000000, 0.0000920100000000, 0.0031473700000000 ] - [ -0.1075501700000000, -0.0681809700000000, -0.2389046900000000 ] - [ -0.0013726800000000, -0.0002630900000000, 0.0055861300000000 ] - [ 0.0006336400000000, -0.0002074800000000, -0.0057288500000000 ] - [ 0.0001570300000000, -0.0001152300000000, 0.0029825000000000 ] - [ 0.0003732800000000, -0.0063076800000000, -0.0066018800000000 ] - [ -0.0000153900000000, 0.0003054700000000, 0.0036825700000000 ] - [ -0.0005942100000000, 0.0000904400000000, 0.0019421800000000 ] - [ 0.0022867800000000, -0.0001038800000000, 0.0007833600000000 ] - [ -0.0029031300000000, -0.0004153800000000, -0.0151099900000000 ] - [ -0.0012643800000000, 0.0000314600000000, 0.0033440500000000 ] - [ 0.0038101100000000, 0.0009465600000000, -0.0033286100000000 ] - [ 0.0008144500000000, -0.0014894600000000, 0.0028332700000000 ] - [ 0.0012545500000000, -0.0011016200000000, -0.0051973900000000 ] - [ 0.0006712800000000, 0.0017559800000000, 0.0032650000000000 ] - [ 0.0008555600000000, 0.0009747300000000, -0.0007501300000000 ] - [ 0.0020643800000000, -0.0012816500000000, 0.0009313500000000 ] - [ 0.0035201000000000, -0.0013485500000000, -0.0139740400000000 ] - [ 0.0005740100000000, -0.0015781600000000, 0.0078161100000000 ] - [ 0.0008408100000000, -0.0002754500000000, -0.0004576900000000 ] - [ -0.0022514700000000, -0.0012456200000000, 0.0012438000000000 ] - [ -0.0000528200000000, -0.0012606600000000, 0.0022456800000000 ] - [ -0.0027715100000000, 0.0049511800000000, 0.0006380800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0004419700000000, 0.0008949700000000, -0.0002515900000000 ] - [ 0.0006869800000000, 0.0004097000000000, 0.0003969600000000 ] - [ 0.0000904800000000, -0.0009323300000000, -0.0001828100000000 ] - [ -0.0006212600000000, 0.0003185000000000, 0.0002009600000000 ] - [ 0.0036432400000000, -0.0024884800000000, 0.0057981900000000 ] - [ -0.0005786200000000, -0.0012505900000000, -0.0000683700000000 ] - [ 0.0292877800000000, 0.0012973800000000, 0.0288727500000000 ] - [ -0.0009797700000000, -0.0000265900000000, 0.0001169000000000 ] - [ 0.0026946400000000, -0.0019703800000000, -0.0004946000000000 ] - [ 0.0005802700000000, -0.0006704100000000, 0.0001960900000000 ] - [ 0.0045955200000000, 0.0024100000000000, -0.0002428000000000 ] - [ 0.0006013400000000, 0.0007274800000000, 0.0001942700000000 ] - [ 0.0016701400000000, 0.0018614800000000, -0.0034626200000000 ] - [ -0.0001888200000000, 0.0008257400000000, 0.0009168200000000 ] - [ 0.0006228800000000, -0.0004487200000000, -0.0005433500000000 ] - [ -0.0002623800000000, -0.0005854100000000, 0.0005730000000000 ] - [ 0.0032158800000000, -0.0011386200000000, 0.0002208100000000 ] - [ 0.0013447200000000, -0.0003678800000000, 0.0003226300000000 ] - [ -0.0078717800000000, 0.0115539600000000, 0.0107826500000000 ] - [ -0.0009360200000000, 0.0001160100000000, 0.0001729900000000 ] - [ -0.0002594600000000, -0.0013740700000000, -0.0006900800000000 ] - [ 0.0003110200000000, -0.0008189400000000, 0.0002109500000000 ] - [ 0.0092262000000000, -0.0061603900000000, -0.0049427200000000 ] - [ 0.0005525600000000, 0.0004589100000000, 0.0003883300000000 ] - [ 0.0007105400000000, 0.0002695600000000, -0.0012369300000000 ] - [ 0.0003258600000000, -0.0006520900000000, -0.0001418300000000 ] - [ 0.0003458600000000, -0.0005298600000000, 0.0016432100000000 ] - [ 0.0005798300000000, 0.0005828200000000, -0.0000027900000000 ] - [ 0.0001410700000000, -0.0001938300000000, -0.0015730400000000 ] - [ -0.0002146000000000, 0.0011940000000000, 0.0025927900000000 ] - [ 0.0048976100000000, 0.0013455000000000, 0.0029037400000000 ] - [ -0.0006861600000000, 0.0002504800000000, -0.0010094200000000 ] - [ 0.0019818500000000, -0.0027469900000000, -0.0035285900000000 ] - [ 0.0005990400000000, 0.0005205300000000, -0.0001058700000000 ] - [ 0.0005729200000000, -0.0000352600000000, 0.0012618400000000 ] - [ 0.0004513600000000, -0.0000874800000000, 0.0001045300000000 ] - [ -0.1544481800000000, -0.0492752100000000, -0.1268575200000000 ] - [ -0.0003787400000000, 0.0013296300000000, 0.0004160000000000 ] - [ -0.0008192200000000, 0.0000541300000000, -0.0000853900000000 ] - [ -0.0010042900000000, -0.0007691900000000, 0.0001798600000000 ] - [ 0.0027426400000000, -0.0021107500000000, -0.0016915600000000 ] - [ 0.0014753400000000, -0.0006610500000000, 0.0002140900000000 ] - [ 0.0025609700000000, -0.0013751700000000, 0.0004963200000000 ] - [ 0.0013496900000000, -0.0006053200000000, 0.0004562200000000 ] - [ -0.0007403200000000, -0.0005315900000000, -0.0008410600000000 ] - [ -0.0011135300000000, -0.0008159300000000, 0.0004418200000000 ] - [ -0.0105746800000000, 0.0009678700000000, -0.0067993500000000 ] - [ -0.0005815000000000, 0.0014419600000000, 0.0001449500000000 ] - [ -0.0018544800000000, 0.0054139400000000, -0.0015523600000000 ] - [ -0.0001232000000000, 0.0002483500000000, 0.0001775600000000 ] - [ -0.0018045200000000, 0.0008478500000000, 0.0024512100000000 ] - [ -0.0003647300000000, 0.0001182200000000, -0.0009398000000000 ] - [ -0.0044938400000000, 0.0004202600000000, -0.0047970000000000 ] - [ -0.0000515600000000, 0.0014542800000000, 0.0011251300000000 ] - [ 0.1196301000000000, 0.0393454000000000, 0.1027776500000000 ] - [ 0.0001162700000000, -0.0009367200000000, -0.0004381600000000 ] - [ 0.0009249400000000, 0.0009040300000000, 0.0010354800000000 ] - [ 0.0010277600000000, 0.0002553900000000, -0.0004577600000000 ] - [ -0.0079550400000000, 0.0023699000000000, -0.0003130900000000 ] - [ -0.0011377700000000, 0.0009013900000000, -0.0005880800000000 ] - [ -0.0000573600000000, -0.0032456900000000, 0.0014680200000000 ] - [ -0.0003848500000000, -0.0004464400000000, -0.0011985000000000 ] - [ 0.0038277600000000, 0.0065281600000000, 0.0006592300000000 ] - [ 0.0001904500000000, 0.0001194800000000, -0.0001450400000000 ] - [ -0.0070003900000000, 0.0004393300000000, 0.0050014100000000 ] - [ -0.0003051500000000, 0.0000227200000000, -0.0000170600000000 ] - [ 0.0031396900000000, 0.0003321000000000, -0.0003367400000000 ] - [ 0.0007027000000000, 0.0008789800000000, -0.0011773800000000 ] - [ -0.0026276500000000, 0.0006150800000000, -0.0002389000000000 ] - [ -0.0020447900000000, -0.0001685300000000, 0.0003336700000000 ] - [ 0.0065637500000000, -0.0034967200000000, -0.0046533200000000 ] - [ 0.0017356500000000, -0.0012019800000000, -0.0005671400000000 ] - [ -0.0000331500000000, -0.0001570900000000, -0.0004786700000000 ] - [ 0.0003731000000000, 0.0010584600000000, -0.0000656700000000 ] - [ 0.0037701300000000, -0.0030523700000000, 0.0034781300000000 ] - [ 0.0018000700000000, -0.0009510700000000, -0.0006770800000000 ] - [ -0.0028966100000000, -0.0022958400000000, 0.0002321000000000 ] - [ -0.0001376600000000, 0.0015151400000000, -0.0001067900000000 ] - [ 0.0014432000000000, 0.0024475600000000, -0.0002660400000000 ] - [ -0.0013190500000000, -0.0008305800000000, -0.0001819700000000 ] - [ -0.0047079700000000, 0.0001579900000000, -0.0046180700000000 ] - [ -0.0011027400000000, 0.0001809600000000, -0.0003923200000000 ]- atom: 37 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0022793000000000, -0.0005131500000000, 0.0002607500000000 ] - [ 0.0011517200000000, -0.0000210900000000, -0.0004016100000000 ] - [ -0.0013544500000000, 0.0023329000000000, 0.0001804900000000 ] - [ -0.0006439200000000, 0.0010818500000000, -0.0002009400000000 ] - [ -0.0042358200000000, 0.0007204900000000, -0.0058508000000000 ] - [ 0.0000167200000000, -0.0005390200000000, 0.0000641300000000 ] - [ -0.0301814200000000, -0.0014025400000000, -0.0282631500000000 ] - [ -0.0005790200000000, -0.0000513400000000, -0.0001176300000000 ] - [ -0.0018481700000000, 0.0006497500000000, 0.0004946100000000 ] - [ 0.0002627300000000, -0.0006310800000000, -0.0001969800000000 ] - [ -0.0038885900000000, -0.0010185400000000, 0.0002401700000000 ] - [ 0.0000987300000000, 0.0006505100000000, -0.0001944000000000 ] - [ -0.0014811500000000, -0.0010491500000000, 0.0034359400000000 ] - [ 0.0003625600000000, -0.0000156900000000, -0.0009147300000000 ] - [ -0.0014226800000000, 0.0002023800000000, 0.0005401400000000 ] - [ -0.0005299600000000, 0.0003392900000000, -0.0005677900000000 ] - [ -0.0026132500000000, 0.0005756200000000, -0.0002274400000000 ] - [ -0.0007315500000000, -0.0002000200000000, -0.0003135400000000 ] - [ 0.0061495800000000, -0.0113651100000000, -0.0108183500000000 ] - [ -0.0006055500000000, 0.0000980700000000, -0.0001731300000000 ] - [ 0.0008387300000000, -0.0000735600000000, 0.0006919500000000 ] - [ 0.0002653500000000, -0.0006185300000000, -0.0002113600000000 ] - [ -0.0083684600000000, 0.0074784500000000, 0.0050237100000000 ] - [ 0.0003927300000000, 0.0007689100000000, -0.0003890100000000 ] - [ -0.0005652400000000, -0.0020720800000000, -0.0000621100000000 ] - [ -0.0001757600000000, -0.0011525500000000, -0.0011555100000000 ] - [ 0.0011313600000000, 0.0015660500000000, -0.0003379000000000 ] - [ 0.0009004500000000, 0.0004575200000000, 0.0012978800000000 ] - [ -0.0017805600000000, 0.0009674900000000, 0.0028961700000000 ] - [ -0.0014282700000000, -0.0004287500000000, -0.0013055900000000 ] - [ -0.0065952200000000, -0.0005934100000000, -0.0042386600000000 ] - [ -0.0009552900000000, 0.0005170600000000, -0.0002818600000000 ] - [ -0.0004959800000000, 0.0037650000000000, 0.0022201600000000 ] - [ 0.0008802400000000, 0.0005188800000000, -0.0011893400000000 ] - [ -0.0004289100000000, -0.0017672300000000, 0.0000355100000000 ] - [ -0.0003003000000000, -0.0017125100000000, 0.0011913000000000 ] - [ 0.1532622400000000, 0.0506993400000000, 0.1224161100000000 ] - [ -0.0000686400000000, 0.0014090400000000, -0.0001165200000000 ] - [ -0.0013352000000000, -0.0018281500000000, -0.0002220200000000 ] - [ -0.0011503200000000, -0.0009888100000000, -0.0004871200000000 ] - [ -0.0001519300000000, 0.0011457700000000, 0.0014020900000000 ] - [ 0.0011221400000000, -0.0003221600000000, -0.0005203700000000 ] - [ 0.0000356900000000, 0.0003999600000000, -0.0001996300000000 ] - [ 0.0012488100000000, -0.0003795100000000, -0.0001480200000000 ] - [ -0.0014147200000000, -0.0012377000000000, 0.0011511400000000 ] - [ -0.0010412200000000, -0.0009420200000000, -0.0001349100000000 ] - [ 0.0100756800000000, 0.0017586500000000, 0.0062777600000000 ] - [ 0.0001353100000000, 0.0012940900000000, -0.0004397200000000 ] - [ 0.0018868500000000, -0.0054220200000000, 0.0015462700000000 ] - [ 0.0001256800000000, -0.0002418400000000, -0.0001782300000000 ] - [ 0.0014958800000000, -0.0017646200000000, -0.0024481400000000 ] - [ 0.0000527000000000, -0.0010305200000000, 0.0009345100000000 ] - [ 0.0054324400000000, -0.0002543200000000, 0.0048189800000000 ] - [ 0.0009783300000000, -0.0012878500000000, -0.0011378100000000 ] - [ -0.1192012100000000, -0.0399945000000000, -0.0986982600000000 ] - [ -0.0007559300000000, -0.0011438300000000, 0.0004368000000000 ] - [ 0.0012050100000000, -0.0003961500000000, -0.0010403700000000 ] - [ 0.0011079600000000, 0.0002177800000000, 0.0004589600000000 ] - [ 0.0064997300000000, -0.0007893800000000, 0.0003213400000000 ] - [ -0.0003253400000000, 0.0006995700000000, 0.0005908600000000 ] - [ -0.0005545500000000, 0.0039711600000000, -0.0014722300000000 ] - [ -0.0002398400000000, 0.0011780300000000, 0.0012013400000000 ] - [ -0.0038981200000000, -0.0064720900000000, -0.0001526500000000 ] - [ -0.0001931100000000, -0.0001185000000000, 0.0006725800000000 ] - [ 0.0069841300000000, -0.0004374600000000, -0.0038341200000000 ] - [ 0.0003048700000000, -0.0000227800000000, 0.0011537100000000 ] - [ -0.0031752300000000, -0.0003082200000000, -0.0001831200000000 ] - [ -0.0007077200000000, -0.0008786000000000, 0.0006522800000000 ] - [ -0.0008533900000000, -0.0006877700000000, 0.0002428200000000 ] - [ -0.0014366200000000, 0.0000980500000000, -0.0003396300000000 ] - [ -0.0048366300000000, 0.0005408800000000, 0.0047025000000000 ] - [ 0.0000751500000000, -0.0017906700000000, 0.0006017800000000 ] - [ 0.0017162700000000, 0.0032259800000000, 0.0004827600000000 ] - [ 0.0013087300000000, 0.0020041300000000, 0.0000638000000000 ] - [ -0.0010458400000000, 0.0013163600000000, -0.0032514900000000 ] - [ 0.0013150700000000, -0.0005938300000000, 0.0006776600000000 ] - [ 0.0026936800000000, 0.0057844500000000, -0.0002360700000000 ] - [ -0.0000918600000000, 0.0019594000000000, 0.0001077900000000 ] - [ -0.0043254900000000, -0.0043876500000000, 0.0002718000000000 ] - [ -0.0015817600000000, -0.0011031300000000, 0.0001818400000000 ] - [ 0.0046980600000000, -0.0001617500000000, 0.0034521000000000 ] - [ 0.0011036500000000, -0.0001816400000000, -0.0007401900000000 ]- atom: 37 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0033138100000000, 0.0006530600000000, -0.0019058700000000 ] - [ 0.0013415600000000, -0.0000597500000000, 0.0006542000000000 ] - [ -0.0024682800000000, 0.0043039700000000, -0.0001308600000000 ] - [ -0.0009521400000000, 0.0014886500000000, 0.0002515700000000 ] - [ -0.0042913000000000, -0.0022248100000000, -0.0048164500000000 ] - [ -0.0002631700000000, -0.0013071200000000, 0.0001685200000000 ] - [ -0.0210103400000000, -0.0104204300000000, -0.0169186400000000 ] - [ -0.0009082000000000, -0.0001703200000000, 0.0002092400000000 ] - [ -0.0006079200000000, 0.0013966200000000, -0.0000242300000000 ] - [ 0.0002620100000000, -0.0005008700000000, 0.0000095300000000 ] - [ -0.0028545000000000, -0.0005904300000000, -0.0000330500000000 ] - [ 0.0002553100000000, 0.0005996000000000, -0.0000206300000000 ] - [ -0.0005070000000000, -0.0022535600000000, 0.0008842200000000 ] - [ 0.0002601300000000, -0.0001595400000000, -0.0003298900000000 ] - [ -0.0021535900000000, 0.0000006100000000, 0.0007968500000000 ] - [ -0.0006081200000000, 0.0002545700000000, -0.0002373500000000 ] - [ -0.0011110000000000, -0.0006597200000000, 0.0001944900000000 ] - [ -0.0000221400000000, -0.0005421200000000, -0.0001684700000000 ] - [ 0.0179652200000000, 0.0181775900000000, 0.0225323400000000 ] - [ -0.0008002900000000, -0.0003513700000000, 0.0000839700000000 ] - [ -0.0001834700000000, 0.0017755000000000, 0.0007412400000000 ] - [ 0.0001678100000000, -0.0005633100000000, -0.0000203800000000 ] - [ -0.0093194100000000, 0.0047015500000000, 0.0044500100000000 ] - [ 0.0004651900000000, 0.0005653400000000, -0.0001472500000000 ] - [ 0.0007367100000000, -0.0014123900000000, -0.0009589800000000 ] - [ 0.0001542800000000, -0.0010354700000000, -0.0004833900000000 ] - [ 0.0005183000000000, 0.0010748300000000, -0.0001918900000000 ] - [ -0.0000614700000000, 0.0013238500000000, 0.0021143300000000 ] - [ -0.0008793600000000, 0.0002118500000000, 0.0007083200000000 ] - [ -0.0011511000000000, -0.0005279900000000, 0.0001048800000000 ] - [ -0.0013514400000000, -0.0009438300000000, -0.0007205700000000 ] - [ -0.0008650500000000, 0.0003735600000000, -0.0005883200000000 ] - [ -0.0044608500000000, 0.0057135800000000, 0.0039385000000000 ] - [ 0.0006464300000000, 0.0006528800000000, -0.0008369800000000 ] - [ 0.0006373700000000, -0.0011252700000000, 0.0010730000000000 ] - [ 0.0005339600000000, -0.0014881400000000, 0.0004424800000000 ] - [ 0.0337887500000000, -0.0593707900000000, -0.0219786400000000 ] - [ -0.0001779800000000, 0.0012818100000000, 0.0005945100000000 ] - [ -0.0008052600000000, 0.0009493600000000, 0.0003441100000000 ] - [ -0.0011863300000000, -0.0007334900000000, -0.0004246300000000 ] - [ -0.0004243400000000, 0.0015934000000000, 0.0009175700000000 ] - [ 0.0012280800000000, -0.0003037500000000, -0.0003043600000000 ] - [ -0.0003887400000000, 0.0010225100000000, -0.0002868100000000 ] - [ 0.0012826400000000, -0.0004449200000000, 0.0001905400000000 ] - [ -0.0006581100000000, 0.0008262700000000, 0.0001933800000000 ] - [ -0.0011134600000000, -0.0008382800000000, 0.0002085000000000 ] - [ 0.0045778400000000, -0.0092300100000000, -0.0006679200000000 ] - [ 0.0000237200000000, 0.0003029400000000, 0.0018159600000000 ] - [ 0.0038964000000000, 0.0048910500000000, -0.0025977600000000 ] - [ 0.0002237400000000, 0.0001202900000000, 0.0001099500000000 ] - [ 0.0035979800000000, -0.0035863000000000, -0.0041450300000000 ] - [ 0.0004329600000000, -0.0014476100000000, 0.0005417100000000 ] - [ 0.0038715300000000, 0.0032698000000000, 0.0003516300000000 ] - [ 0.0008658200000000, 0.0002482600000000, -0.0002062800000000 ] - [ -0.0260881400000000, 0.0512417800000000, 0.0021928000000000 ] - [ 0.0002254000000000, -0.0004563600000000, -0.0009205400000000 ] - [ 0.0011776300000000, -0.0035629900000000, -0.0001029000000000 ] - [ 0.0013127000000000, 0.0000367400000000, 0.0001066700000000 ] - [ 0.0055500100000000, -0.0016351000000000, 0.0005620900000000 ] - [ -0.0005827600000000, 0.0008001800000000, 0.0001594400000000 ] - [ -0.0034677400000000, 0.0036329700000000, 0.0008053500000000 ] - [ -0.0009895400000000, 0.0013906200000000, -0.0005881900000000 ] - [ 0.0040810100000000, -0.0089314900000000, 0.0045590700000000 ] - [ 0.0000092500000000, 0.0000691800000000, 0.0000326600000000 ] - [ 0.0038381600000000, 0.0008143400000000, -0.0012276200000000 ] - [ 0.0001274000000000, 0.0000680000000000, 0.0006180000000000 ] - [ 0.0014751300000000, -0.0005422400000000, -0.0039070900000000 ] - [ -0.0000092600000000, -0.0003861500000000, 0.0009362400000000 ] - [ -0.0014741800000000, -0.0010792800000000, 0.0002790800000000 ] - [ -0.0015964300000000, -0.0001691200000000, -0.0003699000000000 ] - [ -0.0031468400000000, 0.0061371400000000, 0.0071826000000000 ] - [ 0.0008053300000000, -0.0014173800000000, 0.0004432400000000 ] - [ 0.0009258300000000, 0.0009283900000000, 0.0004458400000000 ] - [ 0.0007168500000000, 0.0011805600000000, -0.0004024100000000 ] - [ -0.0023027000000000, 0.0047287200000000, 0.0002555400000000 ] - [ 0.0011933200000000, -0.0007170100000000, 0.0000616200000000 ] - [ -0.0037449700000000, -0.0011088800000000, 0.0000614500000000 ] - [ -0.0001876900000000, 0.0016684800000000, 0.0000667000000000 ] - [ 0.0012332500000000, -0.0072971000000000, 0.0029561300000000 ] - [ -0.0014806200000000, -0.0012846900000000, -0.0003909100000000 ] - [ 0.0023015500000000, 0.0000432500000000, 0.0015131800000000 ] - [ 0.0006348900000000, 0.0003657300000000, -0.0008090600000000 ]- atom: 37 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0014474100000000, -0.0002586400000000, 0.0018957800000000 ] - [ 0.0005035500000000, 0.0004455200000000, -0.0006585300000000 ] - [ 0.0012035900000000, -0.0029014700000000, 0.0001056500000000 ] - [ -0.0003143100000000, -0.0000793100000000, -0.0002538400000000 ] - [ 0.0036890900000000, 0.0004276500000000, 0.0047828600000000 ] - [ -0.0003050700000000, -0.0004886300000000, -0.0001772800000000 ] - [ 0.0195909700000000, 0.0104553500000000, 0.0169914000000000 ] - [ -0.0006373200000000, 0.0000926200000000, -0.0002157100000000 ] - [ 0.0014457200000000, -0.0026826300000000, 0.0000327600000000 ] - [ 0.0005784400000000, -0.0007924100000000, -0.0000151500000000 ] - [ 0.0035394300000000, 0.0019587700000000, 0.0000377900000000 ] - [ 0.0004413100000000, 0.0007729200000000, 0.0000159900000000 ] - [ 0.0006925200000000, 0.0030622200000000, -0.0008754400000000 ] - [ -0.0000836700000000, 0.0009564100000000, 0.0003206700000000 ] - [ 0.0013753600000000, -0.0002308800000000, -0.0008022800000000 ] - [ -0.0001852000000000, -0.0004940800000000, 0.0002346200000000 ] - [ 0.0017163500000000, 0.0000856500000000, -0.0001937800000000 ] - [ 0.0006306500000000, -0.0000307800000000, 0.0001661100000000 ] - [ -0.0192737000000000, -0.0177891000000000, -0.0223543100000000 ] - [ -0.0007357300000000, 0.0005721400000000, -0.0000905300000000 ] - [ 0.0007630100000000, -0.0032010600000000, -0.0007189500000000 ] - [ 0.0004071300000000, -0.0008709900000000, 0.0000148500000000 ] - [ 0.0101510900000000, -0.0034330600000000, -0.0043596000000000 ] - [ 0.0004759000000000, 0.0006598300000000, 0.0001422800000000 ] - [ -0.0005860200000000, -0.0003988100000000, -0.0003359900000000 ] - [ -0.0000068900000000, -0.0007766400000000, -0.0008223900000000 ] - [ 0.0009685600000000, -0.0000252100000000, 0.0014918700000000 ] - [ 0.0015504300000000, -0.0002813400000000, -0.0008300300000000 ] - [ -0.0007597100000000, 0.0005610000000000, 0.0005917900000000 ] - [ -0.0004983300000000, 0.0012971700000000, 0.0011918600000000 ] - [ -0.0003075800000000, 0.0017106400000000, -0.0005750800000000 ] - [ -0.0007801600000000, 0.0004011900000000, -0.0007196000000000 ] - [ 0.0060297300000000, -0.0047488500000000, -0.0052952300000000 ] - [ 0.0008420300000000, 0.0003882100000000, -0.0004723100000000 ] - [ -0.0004901700000000, -0.0006874200000000, 0.0002298900000000 ] - [ -0.0003783000000000, -0.0003199600000000, 0.0008555000000000 ] - [ -0.0335116900000000, 0.0620222200000000, 0.0236044900000000 ] - [ -0.0002671200000000, 0.0014566700000000, -0.0003134200000000 ] - [ -0.0013470400000000, -0.0027070700000000, -0.0006399800000000 ] - [ -0.0009688200000000, -0.0010185300000000, 0.0001172400000000 ] - [ 0.0030135800000000, -0.0025683100000000, -0.0011990200000000 ] - [ 0.0013665500000000, -0.0006842200000000, -0.0000030300000000 ] - [ 0.0029730300000000, -0.0020111400000000, 0.0005971500000000 ] - [ 0.0013137700000000, -0.0005425300000000, 0.0001059800000000 ] - [ -0.0014931800000000, -0.0025729600000000, 0.0001254600000000 ] - [ -0.0010412700000000, -0.0009151100000000, 0.0000859200000000 ] - [ -0.0050631000000000, 0.0119463900000000, 0.0001843400000000 ] - [ -0.0004657900000000, 0.0024409900000000, -0.0021306200000000 ] - [ -0.0039225000000000, -0.0048965100000000, 0.0026220500000000 ] - [ -0.0002226500000000, -0.0001136800000000, -0.0001151900000000 ] - [ -0.0039260000000000, 0.0026514000000000, 0.0041710100000000 ] - [ -0.0007471900000000, 0.0005289300000000, -0.0005339400000000 ] - [ -0.0029088200000000, -0.0030845700000000, -0.0003486100000000 ] - [ 0.0000698300000000, -0.0000732900000000, 0.0002138100000000 ] - [ 0.0246880100000000, -0.0537962000000000, -0.0034459200000000 ] - [ -0.0008682400000000, -0.0016263100000000, 0.0009383700000000 ] - [ 0.0009424200000000, 0.0040227500000000, 0.0000799700000000 ] - [ 0.0008214300000000, 0.0004379400000000, -0.0000949800000000 ] - [ -0.0069964700000000, 0.0032362600000000, -0.0005711800000000 ] - [ -0.0008805500000000, 0.0008007200000000, -0.0001476300000000 ] - [ 0.0028165900000000, -0.0028889500000000, -0.0008141600000000 ] - [ 0.0003642400000000, -0.0006436700000000, 0.0005939900000000 ] - [ -0.0041608700000000, 0.0091431200000000, -0.0040623400000000 ] - [ -0.0000095700000000, -0.0000676500000000, 0.0005015900000000 ] - [ -0.0038288500000000, -0.0008205700000000, 0.0023428800000000 ] - [ -0.0001285500000000, -0.0000677100000000, 0.0005340600000000 ] - [ -0.0015020500000000, 0.0005729500000000, 0.0033778100000000 ] - [ 0.0000085500000000, 0.0003883200000000, -0.0014444200000000 ] - [ -0.0019977900000000, 0.0010131500000000, -0.0002749600000000 ] - [ -0.0018834500000000, 0.0000997000000000, 0.0003673100000000 ] - [ 0.0049036000000000, -0.0090687300000000, -0.0072788000000000 ] - [ 0.0010053500000000, -0.0015752400000000, -0.0003962200000000 ] - [ 0.0007476100000000, 0.0021300300000000, -0.0004452900000000 ] - [ 0.0009634400000000, 0.0018752000000000, 0.0004051600000000 ] - [ 0.0054019600000000, -0.0062844300000000, -0.0003012000000000 ] - [ 0.0019237400000000, -0.0008253200000000, -0.0000526100000000 ] - [ 0.0035313900000000, 0.0045894500000000, -0.0000692700000000 ] - [ -0.0000411600000000, 0.0018034600000000, -0.0000593900000000 ] - [ -0.0041394400000000, 0.0053930600000000, -0.0029948800000000 ] - [ -0.0014173400000000, -0.0006441400000000, 0.0004025000000000 ] - [ -0.0022826500000000, -0.0000415900000000, -0.0026448300000000 ] - [ -0.0006382200000000, -0.0003702500000000, -0.0003248400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009789800000000, -0.0034165400000000, 0.0005273000000000 ] - [ 0.0015016300000000, 0.0013316600000000, 0.0018531300000000 ] - [ -0.0012508500000000, 0.0019845500000000, -0.0001858000000000 ] - [ -0.0005883100000000, 0.0004383900000000, 0.0012748800000000 ] - [ 0.0089349800000000, -0.0028016100000000, 0.0059017100000000 ] - [ -0.0023581500000000, -0.0007535000000000, 0.0025115500000000 ] - [ 0.0174564800000000, 0.0014940300000000, 0.0004440600000000 ] - [ -0.0015585100000000, -0.0000579200000000, 0.0023611700000000 ] - [ 0.0009405500000000, -0.0011001600000000, -0.0018538400000000 ] - [ 0.0003301600000000, -0.0005299000000000, 0.0015682800000000 ] - [ 0.0010256700000000, 0.0014319600000000, -0.0016698900000000 ] - [ 0.0004207800000000, 0.0006032100000000, 0.0014866200000000 ] - [ -0.0063039500000000, -0.0037948600000000, 0.0018336500000000 ] - [ 0.0016925200000000, 0.0015032600000000, 0.0021939600000000 ] - [ -0.0018781700000000, -0.0004075000000000, -0.0005690600000000 ] - [ -0.0000164100000000, -0.0002584300000000, 0.0011366300000000 ] - [ 0.0029531000000000, -0.0004434100000000, -0.0007702200000000 ] - [ -0.0001545700000000, -0.0000815900000000, 0.0010967500000000 ] - [ 0.0090742100000000, 0.0195357900000000, 0.0024397600000000 ] - [ -0.0010898300000000, -0.0007549300000000, 0.0022160400000000 ] - [ -0.0002058800000000, -0.0004655900000000, -0.0022933400000000 ] - [ 0.0001584000000000, -0.0007768100000000, 0.0014531000000000 ] - [ -0.0033553600000000, 0.0032406800000000, -0.0027356600000000 ] - [ 0.0008391200000000, 0.0003511500000000, 0.0016816700000000 ] - [ -0.0010683900000000, -0.0024790900000000, -0.0042180200000000 ] - [ 0.0008166000000000, -0.0001043100000000, 0.0016168800000000 ] - [ 0.0020217300000000, -0.0012706000000000, 0.0021195300000000 ] - [ -0.0023259500000000, 0.0034248600000000, 0.0019126800000000 ] - [ -0.0020975100000000, 0.0001799100000000, 0.0020465200000000 ] - [ 0.0004359400000000, 0.0017062600000000, 0.0017773200000000 ] - [ 0.0034657200000000, 0.0021243000000000, -0.0024883700000000 ] - [ -0.0009418700000000, -0.0004239100000000, 0.0016077500000000 ] - [ -0.0032380400000000, 0.0043385900000000, -0.0025409100000000 ] - [ 0.0009701500000000, 0.0000067700000000, 0.0016913600000000 ] - [ 0.0008229400000000, -0.0001661100000000, 0.0018254400000000 ] - [ -0.0010911600000000, -0.0024644500000000, 0.0013693800000000 ] - [ -0.1290533000000000, -0.0990822200000000, -0.3301745400000000 ] - [ 0.0000543500000000, 0.0020609600000000, 0.0054699900000000 ] - [ -0.0015768200000000, 0.0006251300000000, -0.0009620100000000 ] - [ -0.0008743400000000, -0.0011713300000000, 0.0015500000000000 ] - [ 0.0008158000000000, -0.0001528600000000, -0.0009664800000000 ] - [ 0.0015711800000000, -0.0002772300000000, 0.0015505100000000 ] - [ 0.0013399600000000, 0.0006197100000000, -0.0033603600000000 ] - [ 0.0013618700000000, -0.0008742400000000, 0.0024278200000000 ] - [ -0.0009972900000000, -0.0004200400000000, -0.0033619300000000 ] - [ -0.0014326400000000, -0.0007226600000000, 0.0024293200000000 ] - [ 0.0063800200000000, 0.0056945800000000, 0.0479402800000000 ] - [ -0.0005063100000000, -0.0010507500000000, 0.0084552500000000 ] - [ 0.0001449500000000, -0.0017546300000000, -0.0031582000000000 ] - [ 0.0001749100000000, 0.0004036300000000, 0.0016614700000000 ] - [ 0.0034358800000000, -0.0022270800000000, 0.0006019300000000 ] - [ -0.0010879500000000, 0.0000425300000000, -0.0028048200000000 ] - [ -0.0071682600000000, -0.0041251000000000, -0.0004832800000000 ] - [ 0.0026203400000000, 0.0013053300000000, -0.0031141200000000 ] - [ 0.1015318300000000, 0.0623310200000000, 0.2312327900000000 ] - [ 0.0015630800000000, -0.0000715700000000, -0.0077680000000000 ] - [ 0.0015860100000000, -0.0001227700000000, 0.0037133400000000 ] - [ 0.0013634900000000, 0.0001769600000000, -0.0029637700000000 ] - [ 0.0002921000000000, -0.0014996600000000, 0.0035975800000000 ] - [ -0.0011531200000000, 0.0011337000000000, -0.0030913600000000 ] - [ 0.0045957500000000, 0.0073824100000000, 0.0015697800000000 ] - [ -0.0021212400000000, -0.0018038400000000, -0.0033147100000000 ] - [ -0.0004331600000000, 0.0060770400000000, 0.0103859700000000 ] - [ 0.0000017500000000, -0.0002290300000000, -0.0030730000000000 ] - [ -0.0006314300000000, 0.0003586700000000, 0.0083232800000000 ] - [ -0.0001206300000000, 0.0001065800000000, -0.0026804400000000 ] - [ 0.0039506400000000, -0.0054909400000000, -0.0019653400000000 ] - [ -0.0001811500000000, 0.0018465800000000, -0.0032256100000000 ] - [ -0.0022888500000000, 0.0002873000000000, 0.0013664800000000 ] - [ -0.0018318600000000, -0.0003086000000000, -0.0015664200000000 ] - [ -0.0015087600000000, 0.0063105000000000, 0.0220415900000000 ] - [ -0.0004723100000000, 0.0007905100000000, -0.0095928100000000 ] - [ 0.0006520900000000, 0.0006941500000000, 0.0012505700000000 ] - [ 0.0008024300000000, 0.0016674100000000, -0.0018513300000000 ] - [ 0.0036154900000000, 0.0003298300000000, 0.0120798200000000 ] - [ 0.0008681500000000, -0.0010704200000000, -0.0030288500000000 ] - [ -0.0027431600000000, -0.0010963600000000, 0.0024926100000000 ] - [ -0.0000782900000000, 0.0016963200000000, -0.0020975400000000 ] - [ -0.0023863000000000, 0.0015262200000000, 0.0042657200000000 ] - [ -0.0013035200000000, -0.0013965300000000, -0.0029076100000000 ] - [ -0.0030695400000000, 0.0004434500000000, -0.0024097800000000 ] - [ 0.0009393700000000, -0.0001068000000000, -0.0031058200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0028364600000000, 0.0038372700000000, -0.0005146600000000 ] - [ 0.0003583500000000, -0.0009329400000000, -0.0018650100000000 ] - [ -0.0000080300000000, -0.0005914000000000, 0.0002130600000000 ] - [ -0.0006775900000000, 0.0009687500000000, -0.0012852000000000 ] - [ -0.0096209600000000, 0.0010556400000000, -0.0059499600000000 ] - [ 0.0017545300000000, -0.0010430800000000, -0.0025136100000000 ] - [ -0.0189623200000000, -0.0015399800000000, -0.0006080900000000 ] - [ 0.0000516000000000, -0.0000283000000000, -0.0023726700000000 ] - [ -0.0001079300000000, -0.0001700800000000, 0.0018608200000000 ] - [ 0.0005079100000000, -0.0007417100000000, -0.0015722600000000 ] - [ -0.0003344400000000, -0.0000751000000000, 0.0016769100000000 ] - [ 0.0002583800000000, 0.0007549500000000, -0.0014895500000000 ] - [ 0.0065460700000000, 0.0046472600000000, -0.0018292100000000 ] - [ -0.0014967500000000, -0.0006801100000000, -0.0022040000000000 ] - [ 0.0010923800000000, 0.0001563800000000, 0.0005877300000000 ] - [ -0.0007707300000000, 0.0000115100000000, -0.0011473300000000 ] - [ -0.0023513900000000, -0.0001258200000000, 0.0007864800000000 ] - [ 0.0007617400000000, -0.0004864000000000, -0.0011091800000000 ] - [ -0.0105512000000000, -0.0192872300000000, -0.0026474400000000 ] - [ -0.0004420800000000, 0.0009796400000000, -0.0022267000000000 ] - [ 0.0007895000000000, -0.0009751400000000, 0.0022918600000000 ] - [ 0.0004308200000000, -0.0006518400000000, -0.0014569700000000 ] - [ 0.0043539100000000, -0.0020478300000000, 0.0026971000000000 ] - [ 0.0000888400000000, 0.0008846300000000, -0.0016854700000000 ] - [ 0.0012236600000000, 0.0006849000000000, 0.0029402400000000 ] - [ -0.0006680100000000, -0.0017016300000000, -0.0029427100000000 ] - [ -0.0005236500000000, 0.0022991600000000, -0.0008286400000000 ] - [ 0.0038709100000000, -0.0024380300000000, -0.0005937300000000 ] - [ 0.0004491800000000, 0.0005833500000000, -0.0007614600000000 ] - [ -0.0020922500000000, -0.0009352300000000, -0.0004536200000000 ] - [ -0.0051309100000000, -0.0013611500000000, 0.0012190600000000 ] - [ -0.0007064900000000, 0.0011977100000000, -0.0029341200000000 ] - [ 0.0047271600000000, -0.0033051600000000, 0.0013036000000000 ] - [ 0.0005318300000000, 0.0010182800000000, -0.0030144000000000 ] - [ -0.0006723500000000, -0.0016365400000000, -0.0005396000000000 ] - [ 0.0012448500000000, 0.0006678400000000, -0.0000520600000000 ] - [ 0.1203208600000000, 0.0975304600000000, 0.3206882800000000 ] - [ -0.0004956800000000, 0.0006866000000000, -0.0051883500000000 ] - [ -0.0005818100000000, -0.0023878900000000, 0.0006487400000000 ] - [ -0.0012858700000000, -0.0005782600000000, -0.0018513900000000 ] - [ 0.0017932100000000, -0.0008537400000000, 0.0006467300000000 ] - [ 0.0010235500000000, -0.0007147000000000, -0.0018500300000000 ] - [ 0.0012660900000000, -0.0016190100000000, 0.0036827000000000 ] - [ 0.0012332600000000, -0.0001171400000000, -0.0021355900000000 ] - [ -0.0011654800000000, -0.0013376600000000, 0.0036817700000000 ] - [ -0.0007259200000000, -0.0010278800000000, -0.0021363700000000 ] - [ -0.0067128700000000, -0.0028577400000000, -0.0470552200000000 ] - [ 0.0000633100000000, 0.0038293300000000, -0.0088333400000000 ] - [ -0.0001362400000000, 0.0018107400000000, 0.0031326000000000 ] - [ -0.0001771600000000, -0.0004060600000000, -0.0016695000000000 ] - [ -0.0037859100000000, 0.0013449800000000, -0.0006687800000000 ] - [ 0.0007587300000000, -0.0009545300000000, 0.0028305800000000 ] - [ 0.0081513700000000, 0.0043267900000000, 0.0004416100000000 ] - [ -0.0016505100000000, -0.0011162700000000, 0.0031396100000000 ] - [ -0.0941645200000000, -0.0597514200000000, -0.2205159800000000 ] - [ -0.0022312100000000, -0.0020337700000000, 0.0078192800000000 ] - [ 0.0005520000000000, 0.0006155100000000, -0.0037229600000000 ] - [ 0.0007646300000000, 0.0003101900000000, 0.0029732400000000 ] - [ -0.0018149700000000, 0.0031230600000000, -0.0036149900000000 ] - [ -0.0003134500000000, 0.0004506100000000, 0.0031013900000000 ] - [ -0.0052457600000000, -0.0067023900000000, -0.0016021400000000 ] - [ 0.0014730800000000, 0.0025204600000000, 0.0033479500000000 ] - [ 0.0003911700000000, -0.0059731100000000, -0.0099724700000000 ] - [ 0.0000010900000000, 0.0002192200000000, 0.0036093600000000 ] - [ 0.0006448000000000, -0.0003594600000000, -0.0072289100000000 ] - [ 0.0001127600000000, -0.0001067700000000, 0.0038428800000000 ] - [ -0.0039513900000000, 0.0054706900000000, 0.0014953500000000 ] - [ 0.0001880200000000, -0.0018660300000000, 0.0027030700000000 ] - [ -0.0011917200000000, -0.0003658200000000, -0.0013908700000000 ] - [ -0.0016467100000000, 0.0002300800000000, 0.0015917000000000 ] - [ 0.0036067500000000, -0.0099019100000000, -0.0237212100000000 ] - [ 0.0022633000000000, -0.0037549200000000, 0.0095763400000000 ] - [ 0.0010246800000000, 0.0023716400000000, -0.0012720700000000 ] - [ 0.0008715700000000, 0.0013943900000000, 0.0018749900000000 ] - [ -0.0006793400000000, -0.0019682900000000, -0.0119614300000000 ] - [ 0.0022566700000000, -0.0004622600000000, 0.0030427800000000 ] - [ 0.0025278700000000, 0.0045702000000000, -0.0025031600000000 ] - [ -0.0001513900000000, 0.0017647500000000, 0.0021043400000000 ] - [ -0.0004774000000000, -0.0034840300000000, -0.0042482100000000 ] - [ -0.0015881800000000, -0.0005181300000000, 0.0029234300000000 ] - [ 0.0030793000000000, -0.0004475000000000, 0.0013009600000000 ] - [ -0.0009555400000000, 0.0001044400000000, 0.0019640800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0013468600000000, 0.0008589700000000, 0.0006299400000000 ] - [ 0.0013468600000000, 0.0008589700000000, -0.0006299400000000 ] - [ 0.0008819200000000, -0.0005342400000000, -0.0010056200000000 ] - [ 0.0008819200000000, -0.0005342400000000, 0.0010056200000000 ] - [ -0.0009398200000000, -0.0021043900000000, 0.0003704700000000 ] - [ -0.0009398200000000, -0.0021043900000000, -0.0003704700000000 ] - [ -0.0007188300000000, 0.0035440800000000, 0.0000000000000000 ] - [ -0.0007765300000000, 0.0002258200000000, 0.0000000000000000 ] - [ 0.0047603800000000, -0.0018235500000000, 0.0000000000000000 ] - [ 0.0007360000000000, -0.0007058500000000, 0.0000000000000000 ] - [ -0.0015632000000000, -0.0018029400000000, 0.0000000000000000 ] - [ 0.0002354800000000, 0.0005252300000000, 0.0000000000000000 ] - [ 0.0005314300000000, 0.0019257300000000, 0.0002476400000000 ] - [ 0.0005314300000000, 0.0019257300000000, -0.0002476400000000 ] - [ 0.0026902500000000, 0.0002721900000000, -0.0006816700000000 ] - [ 0.0026902500000000, 0.0002721900000000, 0.0006816700000000 ] - [ 0.0010560400000000, -0.0016114200000000, 0.0004319700000000 ] - [ 0.0010560400000000, -0.0016114200000000, -0.0004319700000000 ] - [ 0.0026002300000000, 0.0043928500000000, 0.0000000000000000 ] - [ -0.0006779600000000, 0.0003259800000000, 0.0000000000000000 ] - [ 0.0134844700000000, -0.0026308700000000, 0.0000000000000000 ] - [ 0.0007402200000000, -0.0007513700000000, 0.0000000000000000 ] - [ 0.0033900200000000, -0.0066639000000000, 0.0000000000000000 ] - [ 0.0005333500000000, 0.0003834000000000, 0.0000000000000000 ] - [ -0.0007131600000000, 0.0009239700000000, 0.0027996400000000 ] - [ -0.0001548700000000, -0.0007718200000000, -0.0016133600000000 ] - [ 0.0046174500000000, 0.0019007300000000, 0.0082530200000000 ] - [ 0.0010446100000000, 0.0006390500000000, -0.0017153400000000 ] - [ 0.0003516500000000, -0.0021061300000000, -0.0035224400000000 ] - [ -0.0007926300000000, 0.0000147100000000, 0.0020082100000000 ] - [ 0.0003516500000000, -0.0021061300000000, 0.0035224400000000 ] - [ -0.0007926300000000, 0.0000147100000000, -0.0020082100000000 ] - [ 0.0046174500000000, 0.0019007300000000, -0.0082530200000000 ] - [ 0.0010446100000000, 0.0006390500000000, 0.0017153400000000 ] - [ -0.0007131600000000, 0.0009239700000000, -0.0027996400000000 ] - [ -0.0001548700000000, -0.0007718200000000, 0.0016133600000000 ] - [ -0.0021095900000000, 0.0047830000000000, 0.0002958900000000 ] - [ -0.0003488100000000, 0.0015546200000000, 0.0003296900000000 ] - [ 0.0088671300000000, 0.0005171000000000, -0.0016032500000000 ] - [ -0.0007088900000000, -0.0008417600000000, 0.0002837400000000 ] - [ 0.0035646300000000, -0.0083223600000000, 0.0014701700000000 ] - [ 0.0012856400000000, -0.0008015400000000, -0.0004169700000000 ] - [ 0.0035646300000000, -0.0083223600000000, -0.0014701700000000 ] - [ 0.0012856400000000, -0.0008015400000000, 0.0004169700000000 ] - [ 0.0088671300000000, 0.0005171000000000, 0.0016032500000000 ] - [ -0.0007088900000000, -0.0008417600000000, -0.0002837400000000 ] - [ -0.0021095900000000, 0.0047830000000000, -0.0002958900000000 ] - [ -0.0003488100000000, 0.0015546200000000, -0.0003296900000000 ] - [ -0.1226771300000000, 0.0001229100000000, 0.0000000000000000 ] - [ -0.0005630600000000, 0.0000036400000000, 0.0000000000000000 ] - [ -0.0053247300000000, 0.0011975600000000, 0.0056624700000000 ] - [ -0.0053247300000000, 0.0011975600000000, -0.0056624700000000 ] - [ 0.0004564200000000, 0.0034594600000000, -0.0031979300000000 ] - [ 0.0004564200000000, 0.0034594600000000, 0.0031979300000000 ] - [ 0.0010234900000000, -0.0089891400000000, 0.0000000000000000 ] - [ -0.0003056600000000, -0.0014374600000000, 0.0000000000000000 ] - [ -0.0164678500000000, -0.0008291900000000, 0.0000000000000000 ] - [ 0.0002243300000000, 0.0003813100000000, 0.0000000000000000 ] - [ -0.0028585600000000, 0.0126171900000000, 0.0000000000000000 ] - [ -0.0006838600000000, 0.0014266400000000, 0.0000000000000000 ] - [ -0.0014378200000000, -0.0015773600000000, -0.0024612300000000 ] - [ -0.0014378200000000, -0.0015773600000000, 0.0024612300000000 ] - [ -0.0026721900000000, 0.0001520700000000, 0.0002686400000000 ] - [ -0.0004101700000000, 0.0002985000000000, 0.0002594100000000 ] - [ -0.0020001300000000, -0.0007528800000000, 0.0005780400000000 ] - [ -0.0004334100000000, -0.0004801100000000, 0.0005693500000000 ] - [ -0.0026721900000000, 0.0001520700000000, -0.0002686400000000 ] - [ -0.0004101700000000, 0.0002985000000000, -0.0002594100000000 ] - [ -0.0000599600000000, 0.0016745400000000, 0.0022370400000000 ] - [ -0.0000599600000000, 0.0016745400000000, -0.0022370400000000 ] - [ 0.0022480900000000, -0.0034298300000000, 0.0014468200000000 ] - [ 0.0022480900000000, -0.0034298300000000, -0.0014468200000000 ] - [ -0.0008219000000000, 0.0016966100000000, -0.0036943800000000 ] - [ -0.0008219000000000, 0.0016966100000000, 0.0036943800000000 ] - [ 0.0227140300000000, -0.0199742000000000, 0.0000000000000000 ] - [ 0.0019248800000000, -0.0008039400000000, 0.0000000000000000 ] - [ 0.0194442700000000, 0.0229454400000000, 0.0000000000000000 ] - [ 0.0000459500000000, 0.0018317800000000, 0.0000000000000000 ] - [ 0.0565088600000000, 0.0013820400000000, 0.0000000000000000 ] - [ -0.0011014000000000, -0.0007658200000000, 0.0000000000000000 ] - [ -0.0020001300000000, -0.0007528800000000, -0.0005780400000000 ] - [ -0.0004334100000000, -0.0004801100000000, -0.0005693500000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0004907800000000, -0.0004633500000000, -0.0006299300000000 ] - [ 0.0004907800000000, -0.0004633500000000, 0.0006299300000000 ] - [ -0.0021378800000000, 0.0019067200000000, 0.0009937800000000 ] - [ -0.0021378800000000, 0.0019067200000000, -0.0009937800000000 ] - [ 0.0003768100000000, 0.0003192500000000, -0.0003694000000000 ] - [ 0.0003768100000000, 0.0003192500000000, 0.0003694000000000 ] - [ -0.0008750400000000, -0.0035891800000000, 0.0000000000000000 ] - [ -0.0007909000000000, -0.0003002000000000, 0.0000000000000000 ] - [ -0.0038926300000000, 0.0005375100000000, 0.0000000000000000 ] - [ 0.0001148600000000, -0.0006088800000000, 0.0000000000000000 ] - [ 0.0022735000000000, 0.0031938500000000, 0.0000000000000000 ] - [ 0.0004746800000000, 0.0008620900000000, 0.0000000000000000 ] - [ -0.0003364100000000, -0.0011282800000000, -0.0002435900000000 ] - [ -0.0003364100000000, -0.0011282800000000, 0.0002435900000000 ] - [ -0.0034548200000000, -0.0004931600000000, 0.0006715500000000 ] - [ -0.0034548200000000, -0.0004931600000000, -0.0006715500000000 ] - [ -0.0004640600000000, 0.0010400500000000, -0.0004304200000000 ] - [ -0.0004640600000000, 0.0010400500000000, 0.0004304200000000 ] - [ -0.0041357000000000, -0.0041735900000000, 0.0000000000000000 ] - [ -0.0008602100000000, -0.0001011700000000, 0.0000000000000000 ] - [ -0.0128054600000000, 0.0011307900000000, 0.0000000000000000 ] - [ -0.0001674300000000, -0.0006905300000000, 0.0000000000000000 ] - [ -0.0024368800000000, 0.0078775200000000, 0.0000000000000000 ] - [ 0.0004178800000000, 0.0008394100000000, 0.0000000000000000 ] - [ 0.0008941500000000, -0.0026890000000000, -0.0040562500000000 ] - [ 0.0003239200000000, -0.0010183500000000, 0.0003342500000000 ] - [ -0.0031513600000000, -0.0008422200000000, -0.0069082900000000 ] - [ 0.0004221000000000, 0.0004059700000000, 0.0029643500000000 ] - [ -0.0019690700000000, 0.0028424700000000, 0.0047788700000000 ] - [ -0.0008455200000000, 0.0007348700000000, -0.0007285900000000 ] - [ -0.0019690700000000, 0.0028424700000000, -0.0047788700000000 ] - [ -0.0008455200000000, 0.0007348700000000, 0.0007285900000000 ] - [ -0.0031513600000000, -0.0008422200000000, 0.0069082900000000 ] - [ 0.0004221000000000, 0.0004059700000000, -0.0029643500000000 ] - [ 0.0008941500000000, -0.0026890000000000, 0.0040562500000000 ] - [ 0.0003239200000000, -0.0010183500000000, -0.0003342500000000 ] - [ 0.0016275400000000, -0.0020834900000000, 0.0000203200000000 ] - [ -0.0001043500000000, 0.0011827300000000, -0.0000163500000000 ] - [ -0.0110309500000000, -0.0023005500000000, 0.0013384900000000 ] - [ -0.0014355500000000, -0.0009184900000000, -0.0005994900000000 ] - [ -0.0009986800000000, 0.0073126200000000, -0.0017643600000000 ] - [ 0.0013103400000000, -0.0001770800000000, 0.0001020300000000 ] - [ -0.0009986800000000, 0.0073126200000000, 0.0017643600000000 ] - [ 0.0013103400000000, -0.0001770800000000, -0.0001020300000000 ] - [ -0.0110309500000000, -0.0023005500000000, -0.0013384900000000 ] - [ -0.0014355500000000, -0.0009184900000000, 0.0005994900000000 ] - [ 0.0016275400000000, -0.0020834900000000, -0.0000203200000000 ] - [ -0.0001043500000000, 0.0011827300000000, 0.0000163500000000 ] - [ 0.1195595100000000, 0.0001269300000000, 0.0000000000000000 ] - [ 0.0005629500000000, 0.0000024300000000, 0.0000000000000000 ] - [ 0.0049828300000000, -0.0021075600000000, -0.0056153200000000 ] - [ 0.0049828300000000, -0.0021075600000000, 0.0056153200000000 ] - [ 0.0004940100000000, -0.0032574800000000, 0.0031794200000000 ] - [ 0.0004940100000000, -0.0032574800000000, -0.0031794200000000 ] - [ -0.0015953100000000, 0.0069031600000000, 0.0000000000000000 ] - [ -0.0003467600000000, -0.0006498800000000, 0.0000000000000000 ] - [ 0.0185620400000000, 0.0012628800000000, 0.0000000000000000 ] - [ 0.0019163000000000, 0.0000845600000000, 0.0000000000000000 ] - [ 0.0014162400000000, -0.0109825700000000, 0.0000000000000000 ] - [ -0.0007769200000000, 0.0001850700000000, 0.0000000000000000 ] - [ 0.0007790900000000, 0.0023027500000000, 0.0024387900000000 ] - [ 0.0007790900000000, 0.0023027500000000, -0.0024387900000000 ] - [ 0.0026656700000000, -0.0001164900000000, 0.0002721100000000 ] - [ 0.0004099700000000, -0.0002947600000000, 0.0002623400000000 ] - [ 0.0019866200000000, 0.0007301400000000, 0.0005721400000000 ] - [ 0.0004285600000000, 0.0004741500000000, 0.0005634200000000 ] - [ 0.0026656700000000, -0.0001164900000000, -0.0002721100000000 ] - [ 0.0004099700000000, -0.0002947600000000, -0.0002623400000000 ] - [ -0.0033993900000000, -0.0017418000000000, -0.0022456200000000 ] - [ -0.0033993900000000, -0.0017418000000000, 0.0022456200000000 ] - [ -0.0004308200000000, 0.0004457700000000, -0.0014637900000000 ] - [ -0.0004308200000000, 0.0004457700000000, 0.0014637900000000 ] - [ 0.0024866900000000, 0.0013512300000000, 0.0036984800000000 ] - [ 0.0024866900000000, 0.0013512300000000, -0.0036984800000000 ] - [ -0.0197657000000000, 0.0191998300000000, 0.0000000000000000 ] - [ 0.0012032900000000, -0.0007413500000000, 0.0000000000000000 ] - [ -0.0199516700000000, -0.0203379500000000, 0.0000000000000000 ] - [ -0.0002771300000000, 0.0016494500000000, 0.0000000000000000 ] - [ -0.0558662900000000, -0.0033445600000000, 0.0000000000000000 ] - [ -0.0017976100000000, -0.0011689400000000, 0.0000000000000000 ] - [ 0.0019866200000000, 0.0007301400000000, -0.0005721400000000 ] - [ 0.0004285600000000, 0.0004741500000000, -0.0005634200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016762400000000, 0.0002213100000000, 0.0005685000000000 ] - [ 0.0001277200000000, 0.0001796700000000, 0.0005644100000000 ] - [ -0.0010297800000000, 0.0013410100000000, 0.0005685000000000 ] - [ -0.0002194600000000, 0.0000207700000000, 0.0005644100000000 ] - [ -0.0006464600000000, -0.0015623200000000, 0.0005685000000000 ] - [ 0.0000917400000000, -0.0002004400000000, 0.0005644100000000 ] - [ -0.0007661000000000, -0.0000416100000000, -0.0021218800000000 ] - [ -0.0007629800000000, -0.0000417700000000, 0.0010440600000000 ] - [ 0.0004190800000000, -0.0006426600000000, -0.0021218800000000 ] - [ 0.0004176600000000, -0.0006398700000000, 0.0010440600000000 ] - [ 0.0003470200000000, 0.0006842700000000, -0.0021218800000000 ] - [ 0.0003453100000000, 0.0006816400000000, 0.0010440600000000 ] - [ 0.0001586100000000, 0.0010065300000000, 0.0007848900000000 ] - [ 0.0000378800000000, -0.0002375800000000, 0.0007838500000000 ] - [ -0.0009509800000000, -0.0003659000000000, 0.0007848900000000 ] - [ 0.0001868100000000, 0.0001516000000000, 0.0007838500000000 ] - [ 0.0007923700000000, -0.0006406200000000, 0.0007848900000000 ] - [ -0.0002247000000000, 0.0000859800000000, 0.0007838500000000 ] - [ -0.0007518700000000, 0.0001141900000000, -0.0023557700000000 ] - [ -0.0007666200000000, 0.0001000600000000, 0.0008993600000000 ] - [ 0.0002770500000000, -0.0007082400000000, -0.0023557700000000 ] - [ 0.0002966500000000, -0.0007139400000000, 0.0008993600000000 ] - [ 0.0004748300000000, 0.0005940500000000, -0.0023557700000000 ] - [ 0.0004699700000000, 0.0006138800000000, 0.0008993600000000 ] - [ 0.0017057400000000, 0.0020952200000000, 0.0003989500000000 ] - [ -0.0000044100000000, -0.0009384500000000, 0.0007858100000000 ] - [ 0.0041678000000000, 0.0006214300000000, 0.0016646500000000 ] - [ 0.0006670300000000, 0.0005813100000000, 0.0020689000000000 ] - [ -0.0026220700000000, 0.0032987000000000, 0.0016646500000000 ] - [ -0.0008369400000000, 0.0002870100000000, 0.0020689000000000 ] - [ 0.0009616500000000, -0.0025248200000000, 0.0003989500000000 ] - [ -0.0008105100000000, 0.0004730400000000, 0.0007858100000000 ] - [ -0.0026673800000000, 0.0004296000000000, 0.0003989500000000 ] - [ 0.0008149200000000, 0.0004654000000000, 0.0007858100000000 ] - [ -0.0015457300000000, -0.0039201300000000, 0.0016646500000000 ] - [ 0.0001699100000000, -0.0008683100000000, 0.0020689000000000 ] - [ -0.0017683200000000, -0.0025345800000000, -0.0029755500000000 ] - [ -0.0000394100000000, 0.0016035200000000, 0.0018219100000000 ] - [ -0.0052389800000000, -0.0014890700000000, -0.0033148900000000 ] - [ -0.0007873600000000, -0.0009120100000000, 0.0015078400000000 ] - [ 0.0039090700000000, -0.0037925500000000, -0.0033148900000000 ] - [ 0.0011835100000000, -0.0002258700000000, 0.0015078400000000 ] - [ -0.0013108600000000, 0.0027987000000000, -0.0029755500000000 ] - [ 0.0014083900000000, -0.0007676300000000, 0.0018219100000000 ] - [ 0.0030791700000000, -0.0002641100000000, -0.0029755500000000 ] - [ -0.0013689800000000, -0.0008358900000000, 0.0018219100000000 ] - [ 0.0013299100000000, 0.0052816300000000, -0.0033148900000000 ] - [ -0.0003961400000000, 0.0011378800000000, 0.0015078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0188418100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012799900000000 ] - [ 0.0010649100000000, -0.0015132600000000, -0.0028792300000000 ] - [ -0.0013889100000000, 0.0006009100000000, -0.0028752400000000 ] - [ 0.0007780700000000, 0.0016788700000000, -0.0028792300000000 ] - [ 0.0001740500000000, -0.0015032800000000, -0.0028752400000000 ] - [ -0.0003234200000000, -0.0010466300000000, 0.0085506100000000 ] - [ -0.0003274200000000, -0.0010413800000000, -0.0022864700000000 ] - [ 0.0010681200000000, 0.0002432200000000, 0.0085506100000000 ] - [ 0.0010655700000000, 0.0002371300000000, -0.0022864700000000 ] - [ -0.0007447000000000, 0.0008034100000000, 0.0085506100000000 ] - [ -0.0007381500000000, 0.0008042400000000, -0.0022864700000000 ] - [ -0.0018429700000000, -0.0001656100000000, -0.0028792300000000 ] - [ 0.0012148600000000, 0.0009023700000000, -0.0028752400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015549800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025043200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011840700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017263700000000 ] - [ -0.0001550300000000, -0.0021964700000000, -0.0028922700000000 ] - [ -0.0033563400000000, 0.0021644700000000, -0.0028963400000000 ] - [ 0.0019797100000000, 0.0009639800000000, -0.0028922700000000 ] - [ -0.0001963100000000, -0.0039889100000000, -0.0028963400000000 ] - [ -0.0018246800000000, 0.0012324900000000, -0.0028922700000000 ] - [ 0.0035526600000000, 0.0018244400000000, -0.0028963400000000 ] - [ 0.0016293000000000, -0.0008850100000000, 0.0106557200000000 ] - [ 0.0015642100000000, -0.0007766700000000, -0.0016633600000000 ] - [ -0.0000482100000000, 0.0018535200000000, 0.0106557200000000 ] - [ -0.0001094900000000, 0.0017429700000000, -0.0016633600000000 ] - [ -0.0015810900000000, -0.0009685100000000, 0.0106557200000000 ] - [ -0.0014547200000000, -0.0009663100000000, -0.0016633600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023317300000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0004190100000000, 0.0032407600000000, 0.0000000000000000 ] - [ 0.0007411800000000, 0.0006326500000000, 0.0000000000000000 ] - [ 0.0704582600000000, -0.0494875400000000, 0.0000000000000000 ] - [ -0.0000210300000000, 0.0002224300000000, 0.0000000000000000 ] - [ -0.0048384600000000, -0.0008889300000000, 0.0000000000000000 ] - [ -0.0005376400000000, -0.0010086500000000, 0.0000000000000000 ] - [ 0.0011317900000000, 0.0031325900000000, 0.0017176500000000 ] - [ 0.0011317900000000, 0.0031325900000000, -0.0017176500000000 ] - [ 0.0020018500000000, -0.0008208400000000, -0.0038647300000000 ] - [ 0.0020018500000000, -0.0008208400000000, 0.0038647300000000 ] - [ -0.0013587100000000, -0.0016571500000000, -0.0013603900000000 ] - [ -0.0013587100000000, -0.0016571500000000, 0.0013603900000000 ] - [ 0.0062639100000000, 0.0036492000000000, 0.0000000000000000 ] - [ 0.0003744200000000, 0.0007000000000000, 0.0000000000000000 ] - [ 0.2296768800000000, 0.0969115900000000, 0.0000000000000000 ] - [ 0.0007373500000000, -0.0000438700000000, 0.0000000000000000 ] - [ -0.0027106100000000, -0.0068260900000000, 0.0000000000000000 ] - [ 0.0002555000000000, -0.0004659000000000, 0.0000000000000000 ] - [ -0.0011307500000000, 0.0027555500000000, -0.0002203900000000 ] - [ -0.0011307500000000, 0.0027555500000000, 0.0002203900000000 ] - [ 0.0041731300000000, -0.0008705500000000, -0.0011899500000000 ] - [ 0.0041731300000000, -0.0008705500000000, 0.0011899500000000 ] - [ 0.0006974700000000, 0.0001135300000000, -0.0002362900000000 ] - [ 0.0006974700000000, 0.0001135300000000, 0.0002362900000000 ] - [ -0.0006806200000000, -0.0005314500000000, -0.0006830700000000 ] - [ -0.0000315900000000, -0.0008371400000000, -0.0005317200000000 ] - [ 0.0017583700000000, 0.0006074700000000, 0.0017225000000000 ] - [ 0.1326799300000000, -0.0356686500000000, 0.1070310000000000 ] - [ -0.0011601300000000, 0.0002088000000000, 0.0004737600000000 ] - [ -0.0060129900000000, -0.0024701900000000, 0.0025027800000000 ] - [ -0.0060129900000000, -0.0024701900000000, -0.0025027800000000 ] - [ -0.0011601300000000, 0.0002088000000000, -0.0004737600000000 ] - [ 0.1326799300000000, -0.0356686500000000, -0.1070310000000000 ] - [ 0.0017583700000000, 0.0006074700000000, -0.0017225000000000 ] - [ -0.0000315900000000, -0.0008371400000000, 0.0005317200000000 ] - [ -0.0006806200000000, -0.0005314500000000, 0.0006830700000000 ] - [ -0.0018828200000000, 0.0047539900000000, 0.0037596900000000 ] - [ -0.0004393800000000, 0.0019303900000000, -0.0007649900000000 ] - [ -0.0012663300000000, -0.0001419200000000, -0.0029369400000000 ] - [ -0.0028249300000000, 0.0015782900000000, 0.0084302600000000 ] - [ 0.0012428300000000, -0.0021236400000000, -0.0001374100000000 ] - [ 0.0023513900000000, -0.0042970300000000, -0.0003253300000000 ] - [ 0.0023513900000000, -0.0042970300000000, 0.0003253300000000 ] - [ 0.0012428300000000, -0.0021236400000000, 0.0001374100000000 ] - [ -0.0028249300000000, 0.0015782900000000, -0.0084302600000000 ] - [ -0.0012663300000000, -0.0001419200000000, 0.0029369400000000 ] - [ -0.0004393800000000, 0.0019303900000000, 0.0007649900000000 ] - [ -0.0018828200000000, 0.0047539900000000, -0.0037596900000000 ] - [ -0.0051563700000000, -0.0003911100000000, 0.0012183700000000 ] - [ -0.0051563700000000, -0.0003911100000000, -0.0012183700000000 ] - [ -0.6015065300000000, 0.0276135000000000, 0.0000000000000000 ] - [ -0.0024391900000000, 0.0003830700000000, 0.0000000000000000 ] - [ 0.0075695400000000, 0.0060324400000000, 0.0000000000000000 ] - [ 0.0006288800000000, 0.0005860100000000, 0.0000000000000000 ] - [ -0.0002599700000000, -0.0051702500000000, -0.0034800800000000 ] - [ -0.0002599700000000, -0.0051702500000000, 0.0034800800000000 ] - [ -0.0035695700000000, -0.0011159800000000, 0.0098564100000000 ] - [ -0.0035695700000000, -0.0011159800000000, -0.0098564100000000 ] - [ 0.0005977400000000, 0.0039598400000000, -0.0008482500000000 ] - [ 0.0005977400000000, 0.0039598400000000, 0.0008482500000000 ] - [ 0.0031218200000000, -0.0034465400000000, 0.0000000000000000 ] - [ -0.0000251700000000, -0.0002083200000000, 0.0000000000000000 ] - [ 0.0006072700000000, -0.0059612100000000, 0.0049914400000000 ] - [ -0.0002064000000000, -0.0007346600000000, -0.0000796600000000 ] - [ -0.0093925500000000, 0.0104236400000000, 0.0159115100000000 ] - [ -0.0013782300000000, 0.0003843700000000, -0.0001571900000000 ] - [ -0.0002064000000000, -0.0007346600000000, 0.0000796600000000 ] - [ 0.0006072700000000, -0.0059612100000000, -0.0049914400000000 ] - [ 0.0016734600000000, 0.0177484000000000, 0.0000000000000000 ] - [ -0.0016544100000000, 0.0004879600000000, 0.0000000000000000 ] - [ 0.0222017700000000, -0.0290295900000000, 0.0000000000000000 ] - [ 0.0010997800000000, -0.0019411700000000, 0.0000000000000000 ] - [ 0.0304808300000000, -0.0076174300000000, 0.0000000000000000 ] - [ 0.0012171800000000, 0.0017887100000000, 0.0000000000000000 ] - [ 0.0048747100000000, -0.0012500300000000, 0.0014605400000000 ] - [ 0.0048747100000000, -0.0012500300000000, -0.0014605400000000 ] - [ 0.0022406300000000, 0.0018415800000000, 0.0012727600000000 ] - [ 0.0022406300000000, 0.0018415800000000, -0.0012727600000000 ] - [ 0.0012198700000000, 0.0028354100000000, -0.0120342400000000 ] - [ 0.0012198700000000, 0.0028354100000000, 0.0120342400000000 ] - [ -0.0013782300000000, 0.0003843700000000, 0.0001571900000000 ] - [ -0.0093925500000000, 0.0104236400000000, -0.0159115100000000 ]- atom: 51 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0022188300000000, -0.0028199100000000, 0.0000000000000000 ] - [ 0.0010785900000000, -0.0002311600000000, 0.0000000000000000 ] - [ -0.0723128600000000, 0.0516530800000000, 0.0000000000000000 ] - [ -0.0012365200000000, 0.0011537200000000, 0.0000000000000000 ] - [ 0.0042881700000000, -0.0009077800000000, 0.0000000000000000 ] - [ -0.0000177700000000, -0.0007662500000000, 0.0000000000000000 ] - [ -0.0027166800000000, -0.0031874600000000, -0.0017021900000000 ] - [ -0.0027166800000000, -0.0031874600000000, 0.0017021900000000 ] - [ -0.0011352400000000, -0.0005104600000000, 0.0038631600000000 ] - [ -0.0011352400000000, -0.0005104600000000, -0.0038631600000000 ] - [ 0.0020832400000000, 0.0030552300000000, 0.0013667700000000 ] - [ 0.0020832400000000, 0.0030552300000000, -0.0013667700000000 ] - [ -0.0060834800000000, -0.0028716200000000, 0.0000000000000000 ] - [ -0.0001803700000000, 0.0000892400000000, 0.0000000000000000 ] - [ -0.2180082300000000, -0.0886873200000000, 0.0000000000000000 ] - [ -0.0015047500000000, -0.0001799800000000, 0.0000000000000000 ] - [ 0.0033190700000000, 0.0062887600000000, 0.0000000000000000 ] - [ 0.0003285300000000, -0.0001020900000000, 0.0000000000000000 ] - [ -0.0004161900000000, -0.0025251200000000, 0.0002193300000000 ] - [ -0.0004161900000000, -0.0025251200000000, -0.0002193300000000 ] - [ -0.0035805600000000, -0.0005803200000000, 0.0011965200000000 ] - [ -0.0035805600000000, -0.0005803200000000, -0.0011965200000000 ] - [ 0.0002613400000000, 0.0011132700000000, 0.0002348600000000 ] - [ 0.0002613400000000, 0.0011132700000000, -0.0002348600000000 ] - [ 0.0008416100000000, -0.0012562300000000, -0.0005916400000000 ] - [ 0.0001976100000000, -0.0009562100000000, -0.0007381600000000 ] - [ -0.0002846600000000, 0.0004358900000000, -0.0004472400000000 ] - [ -0.1328741800000000, 0.0385103600000000, -0.1104949000000000 ] - [ -0.0004807000000000, 0.0005423100000000, 0.0008009900000000 ] - [ 0.0043817100000000, 0.0032036700000000, -0.0012400300000000 ] - [ 0.0043817100000000, 0.0032036700000000, 0.0012400300000000 ] - [ -0.0004807000000000, 0.0005423100000000, -0.0008009900000000 ] - [ -0.1328741800000000, 0.0385103600000000, 0.1104949000000000 ] - [ -0.0002846600000000, 0.0004358900000000, 0.0004472400000000 ] - [ 0.0001976100000000, -0.0009562100000000, 0.0007381600000000 ] - [ 0.0008416100000000, -0.0012562300000000, 0.0005916400000000 ] - [ 0.0014224900000000, -0.0020229500000000, -0.0034625300000000 ] - [ -0.0000188500000000, 0.0008095500000000, 0.0010839100000000 ] - [ -0.0008750600000000, -0.0016213700000000, 0.0026046100000000 ] - [ 0.0006692000000000, -0.0033317200000000, -0.0086904500000000 ] - [ 0.0013595300000000, 0.0011443100000000, -0.0001774500000000 ] - [ 0.0002397200000000, 0.0033226300000000, 0.0000130200000000 ] - [ 0.0002397200000000, 0.0033226300000000, -0.0000130200000000 ] - [ 0.0013595300000000, 0.0011443100000000, 0.0001774500000000 ] - [ 0.0006692000000000, -0.0033317200000000, 0.0086904500000000 ] - [ -0.0008750600000000, -0.0016213700000000, -0.0026046100000000 ] - [ -0.0000188500000000, 0.0008095500000000, -0.0010839100000000 ] - [ 0.0014224900000000, -0.0020229500000000, 0.0034625300000000 ] - [ 0.0051491400000000, 0.0003981900000000, -0.0012357800000000 ] - [ 0.0051491400000000, 0.0003981900000000, 0.0012357800000000 ] - [ 0.5927298400000000, -0.0416115100000000, 0.0000000000000000 ] - [ 0.0021174200000000, -0.0013008600000000, 0.0000000000000000 ] - [ -0.0066439900000000, -0.0058321200000000, 0.0000000000000000 ] - [ 0.0003196500000000, -0.0003969300000000, 0.0000000000000000 ] - [ -0.0003667800000000, 0.0030763000000000, 0.0034899100000000 ] - [ -0.0003667800000000, 0.0030763000000000, -0.0034899100000000 ] - [ 0.0056566700000000, 0.0015951300000000, -0.0098103500000000 ] - [ 0.0056566700000000, 0.0015951300000000, 0.0098103500000000 ] - [ -0.0020619900000000, -0.0023512700000000, 0.0008514500000000 ] - [ -0.0020619900000000, -0.0023512700000000, -0.0008514500000000 ] - [ -0.0037384200000000, 0.0041717500000000, 0.0000000000000000 ] - [ -0.0006139600000000, 0.0009372100000000, 0.0000000000000000 ] - [ -0.0006376900000000, 0.0059503500000000, -0.0044499000000000 ] - [ 0.0002049300000000, 0.0007338400000000, 0.0006088100000000 ] - [ 0.0093692000000000, -0.0104009300000000, -0.0147771400000000 ] - [ 0.0013701900000000, -0.0003830300000000, 0.0012928800000000 ] - [ 0.0002049300000000, 0.0007338400000000, -0.0006088100000000 ] - [ -0.0006376900000000, 0.0059503500000000, 0.0044499000000000 ] - [ -0.0052067500000000, -0.0179576600000000, 0.0000000000000000 ] - [ -0.0018272300000000, -0.0005449300000000, 0.0000000000000000 ] - [ -0.0205507500000000, 0.0263456000000000, 0.0000000000000000 ] - [ 0.0006952800000000, -0.0010470800000000, 0.0000000000000000 ] - [ -0.0285443800000000, 0.0106919900000000, 0.0000000000000000 ] - [ 0.0004764000000000, 0.0012646400000000, 0.0000000000000000 ] - [ -0.0017546100000000, -0.0002863200000000, -0.0014560400000000 ] - [ -0.0017546100000000, -0.0002863200000000, 0.0014560400000000 ] - [ -0.0024629400000000, 0.0016210900000000, -0.0012687700000000 ] - [ -0.0024629400000000, 0.0016210900000000, 0.0012687700000000 ] - [ -0.0040916200000000, -0.0047681300000000, 0.0120628800000000 ] - [ -0.0040916200000000, -0.0047681300000000, -0.0120628800000000 ] - [ 0.0013701900000000, -0.0003830300000000, -0.0012928800000000 ] - [ 0.0093692000000000, -0.0104009300000000, 0.0147771400000000 ]- atom: 51 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0109557300000000, -0.0063355200000000, 0.0000000000000000 ] - [ 0.0012929700000000, -0.0001501600000000, 0.0000000000000000 ] - [ -0.0768476200000000, 0.2755644200000000, 0.0000000000000000 ] - [ -0.0011170200000000, 0.0016474300000000, 0.0000000000000000 ] - [ 0.0000106500000000, -0.0097028500000000, 0.0000000000000000 ] - [ -0.0002193600000000, -0.0012674300000000, 0.0000000000000000 ] - [ -0.0000880800000000, -0.0030876900000000, -0.0025264400000000 ] - [ -0.0000880800000000, -0.0030876900000000, 0.0025264400000000 ] - [ -0.0013647100000000, 0.0019241900000000, -0.0001861800000000 ] - [ -0.0013647100000000, 0.0019241900000000, 0.0001861800000000 ] - [ -0.0014504500000000, -0.0015192000000000, 0.0006660400000000 ] - [ -0.0014504500000000, -0.0015192000000000, -0.0006660400000000 ] - [ -0.0011211400000000, -0.0124877800000000, 0.0000000000000000 ] - [ -0.0000247700000000, -0.0000531100000000, 0.0000000000000000 ] - [ -0.0335925100000000, 0.0520729700000000, 0.0000000000000000 ] - [ -0.0011852900000000, 0.0000395300000000, 0.0000000000000000 ] - [ -0.0010985400000000, -0.0018056500000000, 0.0000000000000000 ] - [ 0.0002138400000000, -0.0005119000000000, 0.0000000000000000 ] - [ 0.0012674000000000, -0.0033874600000000, 0.0013796700000000 ] - [ 0.0012674000000000, -0.0033874600000000, -0.0013796700000000 ] - [ -0.0005695300000000, 0.0023195400000000, 0.0035165500000000 ] - [ -0.0005695300000000, 0.0023195400000000, -0.0035165500000000 ] - [ -0.0004329500000000, -0.0009819400000000, 0.0021489400000000 ] - [ -0.0004329500000000, -0.0009819400000000, -0.0021489400000000 ] - [ -0.0005064700000000, -0.0037749900000000, -0.0006017200000000 ] - [ 0.0000836900000000, -0.0010116600000000, -0.0007125300000000 ] - [ -0.0001386300000000, 0.0006614100000000, -0.0004002600000000 ] - [ -0.0988738200000000, 0.0871325300000000, -0.1046280400000000 ] - [ -0.0006625100000000, 0.0002045900000000, 0.0005939200000000 ] - [ -0.0007699700000000, -0.0009998200000000, -0.0004904400000000 ] - [ -0.0007699700000000, -0.0009998200000000, 0.0004904400000000 ] - [ -0.0006625100000000, 0.0002045900000000, -0.0005939200000000 ] - [ -0.0988738200000000, 0.0871325300000000, 0.1046280400000000 ] - [ -0.0001386300000000, 0.0006614100000000, 0.0004002600000000 ] - [ 0.0000836900000000, -0.0010116600000000, 0.0007125300000000 ] - [ -0.0005064700000000, -0.0037749900000000, 0.0006017200000000 ] - [ 0.0017419500000000, -0.0028023100000000, -0.0032327400000000 ] - [ 0.0003808700000000, 0.0003882200000000, 0.0010416100000000 ] - [ -0.0003266800000000, -0.0005292900000000, 0.0016499700000000 ] - [ 0.0018183200000000, 0.0010725600000000, -0.0050532900000000 ] - [ 0.0009587300000000, 0.0007754100000000, 0.0019726800000000 ] - [ -0.0031454700000000, -0.0004506900000000, -0.0076251200000000 ] - [ -0.0031454700000000, -0.0004506900000000, 0.0076251200000000 ] - [ 0.0009587300000000, 0.0007754100000000, -0.0019726800000000 ] - [ 0.0018183200000000, 0.0010725600000000, 0.0050532900000000 ] - [ -0.0003266800000000, -0.0005292900000000, -0.0016499700000000 ] - [ 0.0003808700000000, 0.0003882200000000, -0.0010416100000000 ] - [ 0.0017419500000000, -0.0028023100000000, 0.0032327400000000 ] - [ 0.0039995900000000, 0.0010373800000000, -0.0015280900000000 ] - [ 0.0039995900000000, 0.0010373800000000, 0.0015280900000000 ] - [ 0.3298991900000000, -0.5410371800000000, 0.0000000000000000 ] - [ 0.0017053400000000, -0.0020823000000000, 0.0000000000000000 ] - [ 0.0035383200000000, 0.0058131400000000, 0.0000000000000000 ] - [ 0.0005623000000000, 0.0004795000000000, 0.0000000000000000 ] - [ -0.0023607200000000, 0.0047873000000000, 0.0029105600000000 ] - [ -0.0023607200000000, 0.0047873000000000, -0.0029105600000000 ] - [ 0.0016726400000000, -0.0049488700000000, -0.0057560300000000 ] - [ 0.0016726400000000, -0.0049488700000000, 0.0057560300000000 ] - [ 0.0006025200000000, 0.0036770000000000, -0.0054699300000000 ] - [ 0.0006025200000000, 0.0036770000000000, 0.0054699300000000 ] - [ -0.0067952800000000, 0.0142213900000000, 0.0000000000000000 ] - [ -0.0006995500000000, 0.0011689000000000, 0.0000000000000000 ] - [ -0.0090562000000000, 0.0171812600000000, -0.0168960800000000 ] - [ -0.0004018600000000, 0.0006648200000000, 0.0014693500000000 ] - [ 0.0112030400000000, 0.0080613800000000, 0.0050757500000000 ] - [ 0.0011310500000000, 0.0003323800000000, 0.0002683100000000 ] - [ -0.0004018600000000, 0.0006648200000000, -0.0014693500000000 ] - [ -0.0090562000000000, 0.0171812600000000, 0.0168960800000000 ] - [ 0.0171322900000000, 0.0000510700000000, 0.0000000000000000 ] - [ -0.0014224000000000, -0.0004645300000000, 0.0000000000000000 ] - [ -0.0278024300000000, 0.0267308100000000, 0.0000000000000000 ] - [ 0.0006656300000000, -0.0009946100000000, 0.0000000000000000 ] - [ -0.0149356000000000, -0.0053077000000000, 0.0000000000000000 ] - [ 0.0005358400000000, 0.0011589100000000, 0.0000000000000000 ] - [ -0.0005079300000000, 0.0005124900000000, 0.0000370400000000 ] - [ -0.0005079300000000, 0.0005124900000000, -0.0000370400000000 ] - [ -0.0015694800000000, 0.0011294700000000, -0.0008187100000000 ] - [ -0.0015694800000000, 0.0011294700000000, 0.0008187100000000 ] - [ -0.0024596200000000, -0.0067417000000000, 0.0087565800000000 ] - [ -0.0024596200000000, -0.0067417000000000, -0.0087565800000000 ] - [ 0.0011310500000000, 0.0003323800000000, -0.0002683100000000 ] - [ 0.0112030400000000, 0.0080613800000000, -0.0050757500000000 ]- atom: 51 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0091261200000000, 0.0067171700000000, 0.0000000000000000 ] - [ 0.0005541400000000, 0.0005420500000000, 0.0000000000000000 ] - [ 0.0787075200000000, -0.2941915600000000, 0.0000000000000000 ] - [ -0.0001478700000000, -0.0002443200000000, 0.0000000000000000 ] - [ -0.0005658200000000, 0.0078783000000000, 0.0000000000000000 ] - [ -0.0003559500000000, -0.0005267000000000, 0.0000000000000000 ] - [ -0.0014736500000000, 0.0030125100000000, 0.0025150600000000 ] - [ -0.0014736500000000, 0.0030125100000000, -0.0025150600000000 ] - [ 0.0022166200000000, -0.0032252500000000, 0.0001959800000000 ] - [ 0.0022166200000000, -0.0032252500000000, -0.0001959800000000 ] - [ 0.0021489100000000, 0.0028952300000000, -0.0006652100000000 ] - [ 0.0021489100000000, 0.0028952300000000, 0.0006652100000000 ] - [ 0.0012787200000000, 0.0131555200000000, 0.0000000000000000 ] - [ 0.0002121400000000, 0.0008650900000000, 0.0000000000000000 ] - [ 0.0314105600000000, -0.0532127300000000, 0.0000000000000000 ] - [ 0.0003995300000000, -0.0002805200000000, 0.0000000000000000 ] - [ 0.0017029200000000, 0.0012358200000000, 0.0000000000000000 ] - [ 0.0003954700000000, -0.0000626100000000, 0.0000000000000000 ] - [ -0.0028078300000000, 0.0035992900000000, -0.0013845400000000 ] - [ -0.0028078300000000, 0.0035992900000000, 0.0013845400000000 ] - [ 0.0011508700000000, -0.0037726700000000, -0.0035216700000000 ] - [ 0.0011508700000000, -0.0037726700000000, 0.0035216700000000 ] - [ 0.0013871600000000, 0.0022079000000000, -0.0021494500000000 ] - [ 0.0013871600000000, 0.0022079000000000, 0.0021494500000000 ] - [ 0.0006327600000000, 0.0019354500000000, -0.0007136700000000 ] - [ 0.0000677600000000, -0.0007954400000000, -0.0005843400000000 ] - [ 0.0016308100000000, 0.0003767900000000, 0.0017052100000000 ] - [ 0.0981635200000000, -0.0858323600000000, 0.1016568700000000 ] - [ -0.0009810200000000, 0.0005657000000000, 0.0007074600000000 ] - [ -0.0008614600000000, 0.0017708200000000, 0.0017803700000000 ] - [ -0.0008614600000000, 0.0017708200000000, -0.0017803700000000 ] - [ -0.0009810200000000, 0.0005657000000000, -0.0007074600000000 ] - [ 0.0981635200000000, -0.0858323600000000, -0.1016568700000000 ] - [ 0.0016308100000000, 0.0003767900000000, -0.0017052100000000 ] - [ 0.0000677600000000, -0.0007954400000000, 0.0005843400000000 ] - [ 0.0006327600000000, 0.0019354500000000, 0.0007136700000000 ] - [ -0.0021757600000000, 0.0055246500000000, 0.0034904300000000 ] - [ -0.0008279700000000, 0.0023544100000000, -0.0007264700000000 ] - [ -0.0018254300000000, -0.0012331700000000, -0.0019619700000000 ] - [ -0.0039742700000000, -0.0028495500000000, 0.0047709900000000 ] - [ 0.0016434000000000, -0.0017649800000000, -0.0022767000000000 ] - [ 0.0057543000000000, -0.0005266900000000, 0.0073344600000000 ] - [ 0.0057543000000000, -0.0005266900000000, -0.0073344600000000 ] - [ 0.0016434000000000, -0.0017649800000000, 0.0022767000000000 ] - [ -0.0039742700000000, -0.0028495500000000, -0.0047709900000000 ] - [ -0.0018254300000000, -0.0012331700000000, 0.0019619700000000 ] - [ -0.0008279700000000, 0.0023544100000000, 0.0007264700000000 ] - [ -0.0021757600000000, 0.0055246500000000, -0.0034904300000000 ] - [ -0.0040146700000000, -0.0010310700000000, 0.0015301400000000 ] - [ -0.0040146700000000, -0.0010310700000000, -0.0015301400000000 ] - [ -0.3272667300000000, 0.5604939500000000, 0.0000000000000000 ] - [ -0.0020293800000000, 0.0011708600000000, 0.0000000000000000 ] - [ -0.0026010200000000, -0.0056506300000000, 0.0000000000000000 ] - [ 0.0003827000000000, -0.0003014800000000, 0.0000000000000000 ] - [ 0.0017302100000000, -0.0068600500000000, -0.0028705600000000 ] - [ 0.0017302100000000, -0.0068600500000000, 0.0028705600000000 ] - [ 0.0004413300000000, 0.0054533900000000, 0.0057631200000000 ] - [ 0.0004413300000000, 0.0054533900000000, -0.0057631200000000 ] - [ -0.0020641500000000, -0.0020773000000000, 0.0054774600000000 ] - [ -0.0020641500000000, -0.0020773000000000, -0.0054774600000000 ] - [ 0.0062026500000000, -0.0133563400000000, 0.0000000000000000 ] - [ 0.0000661800000000, -0.0004371900000000, 0.0000000000000000 ] - [ 0.0090453300000000, -0.0172635600000000, 0.0174535700000000 ] - [ 0.0003994800000000, -0.0006636500000000, -0.0009459400000000 ] - [ -0.0111281600000000, -0.0080819200000000, -0.0038896100000000 ] - [ -0.0011310700000000, -0.0003350600000000, 0.0008682500000000 ] - [ 0.0003994800000000, -0.0006636500000000, 0.0009459400000000 ] - [ 0.0090453300000000, -0.0172635600000000, -0.0174535700000000 ] - [ -0.0206174700000000, -0.0000860900000000, 0.0000000000000000 ] - [ -0.0020559700000000, 0.0003915200000000, 0.0000000000000000 ] - [ 0.0291229600000000, -0.0293942200000000, 0.0000000000000000 ] - [ 0.0011423700000000, -0.0019864100000000, 0.0000000000000000 ] - [ 0.0166931000000000, 0.0084371900000000, 0.0000000000000000 ] - [ 0.0011421500000000, 0.0019006500000000, 0.0000000000000000 ] - [ 0.0036206800000000, -0.0020631000000000, -0.0000362500000000 ] - [ 0.0036206800000000, -0.0020631000000000, 0.0000362500000000 ] - [ 0.0013500800000000, 0.0023491200000000, 0.0008243800000000 ] - [ 0.0013500800000000, 0.0023491200000000, -0.0008243800000000 ] - [ -0.0004411500000000, 0.0048018700000000, -0.0087479500000000 ] - [ -0.0004411500000000, 0.0048018700000000, 0.0087479500000000 ] - [ -0.0011310700000000, -0.0003350600000000, -0.0008682500000000 ] - [ -0.0111281600000000, -0.0080819200000000, 0.0038896100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009183100000000, 0.0002001300000000, 0.0023610700000000 ] - [ 0.0009116500000000, 0.0001999500000000, -0.0021935200000000 ] - [ -0.0008540000000000, 0.0015662600000000, 0.0610093300000000 ] - [ -0.0006289100000000, 0.0006923100000000, -0.0027497800000000 ] - [ -0.0002886000000000, -0.0008895100000000, 0.0022110100000000 ] - [ -0.0002829700000000, -0.0008889900000000, -0.0022239900000000 ] - [ 0.0002625800000000, -0.0036921500000000, -0.0036123100000000 ] - [ -0.0018210600000000, 0.0036066000000000, -0.0036156200000000 ] - [ -0.0025444000000000, -0.0012947300000000, -0.0022342600000000 ] - [ 0.0033658800000000, -0.0000477800000000, -0.0022261900000000 ] - [ 0.0009181500000000, 0.0012632300000000, -0.0013765800000000 ] - [ -0.0001862400000000, 0.0001391000000000, -0.0013818900000000 ] - [ 0.0001027000000000, 0.0003936600000000, 0.0064327300000000 ] - [ 0.0000951500000000, 0.0003945100000000, -0.0022921000000000 ] - [ -0.0011300600000000, -0.0004801900000000, 0.0618724500000000 ] - [ -0.0003858900000000, -0.0001154800000000, -0.0026412400000000 ] - [ 0.0002978100000000, -0.0002841300000000, 0.0031378700000000 ] - [ 0.0002949100000000, -0.0002820200000000, -0.0021567300000000 ] - [ -0.0000424300000000, -0.0010583500000000, -0.0003628300000000 ] - [ -0.0014891200000000, 0.0013093200000000, -0.0003771900000000 ] - [ -0.0039292300000000, 0.0019520200000000, -0.0041141800000000 ] - [ 0.0044363200000000, -0.0033745500000000, -0.0040735200000000 ] - [ -0.0002752100000000, 0.0013562800000000, -0.0007980600000000 ] - [ 0.0012379800000000, -0.0001377600000000, -0.0008050400000000 ] - [ 0.0010911200000000, 0.0002054400000000, 0.0029579900000000 ] - [ -0.0004053200000000, -0.0014332600000000, -0.0036503900000000 ] - [ -0.0004630300000000, 0.0003745400000000, -0.0049656700000000 ] - [ 0.1028207500000000, -0.0530313800000000, 0.2295501800000000 ] - [ -0.0007033000000000, -0.0004293100000000, -0.0024843300000000 ] - [ -0.0017971600000000, 0.0010331700000000, 0.0040196400000000 ] - [ 0.0001501900000000, -0.0002808500000000, 0.0027615500000000 ] - [ -0.0009433100000000, 0.0011797700000000, -0.0037600500000000 ] - [ -0.1097663500000000, 0.0585787000000000, 0.2383687000000000 ] - [ 0.0019395800000000, 0.0006663600000000, -0.0062365900000000 ] - [ 0.0005720600000000, -0.0003632200000000, -0.0023748400000000 ] - [ -0.0009258100000000, -0.0020004500000000, 0.0042167300000000 ] - [ 0.0022233100000000, -0.0020065200000000, 0.0008087200000000 ] - [ -0.0011623100000000, 0.0014478000000000, -0.0026748500000000 ] - [ -0.0028737800000000, -0.0005275600000000, -0.0034855000000000 ] - [ 0.0011956100000000, -0.0012576400000000, 0.0014188700000000 ] - [ 0.0015104500000000, 0.0007038100000000, -0.0032742200000000 ] - [ 0.0009542000000000, -0.0058217200000000, -0.0006182200000000 ] - [ 0.0016536400000000, 0.0048784900000000, -0.0003073400000000 ] - [ 0.0010896000000000, -0.0016692600000000, -0.0029740900000000 ] - [ -0.0033645400000000, -0.0004952200000000, 0.0017547400000000 ] - [ 0.0007083600000000, -0.0012300500000000, -0.0031763900000000 ] - [ 0.0007101400000000, 0.0012861600000000, -0.0029595300000000 ] - [ -0.0026748000000000, 0.0047684800000000, 0.0004582800000000 ] - [ 0.0056455600000000, 0.0004247200000000, -0.0028627500000000 ] - [ -0.0056315400000000, -0.0004278900000000, -0.0028883000000000 ] - [ 0.0092456200000000, -0.0056019100000000, -0.5825890300000000 ] - [ -0.0001579600000000, -0.0004581500000000, 0.0073329000000000 ] - [ 0.0004762200000000, 0.0000931600000000, -0.0048956600000000 ] - [ 0.0004749500000000, 0.0000929300000000, 0.0047484100000000 ] - [ -0.0042778500000000, 0.0023857000000000, 0.0038971300000000 ] - [ 0.0035969800000000, -0.0044904900000000, 0.0039440500000000 ] - [ 0.0092909600000000, -0.0004180700000000, 0.0037790700000000 ] - [ -0.0070526300000000, 0.0009078300000000, 0.0037762400000000 ] - [ -0.0006816800000000, -0.0015920000000000, 0.0038195200000000 ] - [ -0.0007968000000000, 0.0031715700000000, 0.0038140800000000 ] - [ -0.0003238300000000, 0.0003610900000000, -0.0048966300000000 ] - [ -0.0003172600000000, 0.0003655800000000, 0.0047480500000000 ] - [ 0.0015809500000000, -0.0048108200000000, -0.0033455800000000 ] - [ -0.0001334600000000, 0.0009810900000000, 0.0042861200000000 ] - [ 0.0111107000000000, 0.0135769200000000, -0.0003400700000000 ] - [ -0.0006009700000000, -0.0006826600000000, 0.0051715000000000 ] - [ 0.0001377100000000, -0.0010001900000000, 0.0037631600000000 ] - [ -0.0015509000000000, 0.0047504200000000, -0.0038379000000000 ] - [ -0.0017350000000000, 0.0000045900000000, -0.0126530200000000 ] - [ -0.0017445900000000, -0.0000287300000000, 0.0047418700000000 ] - [ 0.0009026300000000, -0.0015162500000000, -0.0290808900000000 ] - [ 0.0008939800000000, -0.0014934500000000, 0.0047456200000000 ] - [ 0.0008395400000000, 0.0015233800000000, -0.0066545700000000 ] - [ 0.0008508500000000, 0.0015268500000000, 0.0048110000000000 ] - [ 0.0000420100000000, 0.0009364100000000, 0.0006566500000000 ] - [ 0.0031046900000000, -0.0024934700000000, 0.0006783400000000 ] - [ -0.0008496100000000, -0.0001180600000000, 0.0003692500000000 ] - [ 0.0006370900000000, 0.0036036900000000, 0.0003843800000000 ] - [ -0.0084888200000000, -0.0048348900000000, 0.0204484300000000 ] - [ 0.0054565200000000, 0.0029150000000000, 0.0203691400000000 ] - [ 0.0005961200000000, 0.0006933000000000, 0.0040369500000000 ] - [ -0.0110628100000000, -0.0134512000000000, -0.0014402800000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0041188800000000, 0.0010207300000000, -0.0004447300000000 ] - [ 0.0041188800000000, 0.0010207300000000, 0.0004447300000000 ] - [ -0.0012828300000000, 0.0025538200000000, 0.0001887700000000 ] - [ -0.0012828300000000, 0.0025538200000000, -0.0001887700000000 ] - [ -0.0040334500000000, -0.0007920600000000, -0.0023752600000000 ] - [ -0.0040334500000000, -0.0007920600000000, 0.0023752600000000 ] - [ 0.2978542600000000, -0.0957725500000000, 0.0000000000000000 ] - [ 0.0004507100000000, -0.0001261200000000, 0.0000000000000000 ] - [ -0.0069531000000000, 0.0067110000000000, 0.0000000000000000 ] - [ 0.0002380100000000, -0.0004994800000000, 0.0000000000000000 ] - [ -0.0132492000000000, -0.0058165300000000, 0.0000000000000000 ] - [ -0.0000729500000000, 0.0006051300000000, 0.0000000000000000 ] - [ 0.0040726900000000, -0.0000083500000000, 0.0032678900000000 ] - [ 0.0040726900000000, -0.0000083500000000, -0.0032678900000000 ] - [ -0.0002180800000000, 0.0019084100000000, 0.0022017100000000 ] - [ -0.0002180800000000, 0.0019084100000000, -0.0022017100000000 ] - [ -0.0040003100000000, -0.0002523600000000, 0.0018554000000000 ] - [ -0.0040003100000000, -0.0002523600000000, -0.0018554000000000 ] - [ 0.0609697100000000, 0.0000738500000000, 0.0000000000000000 ] - [ -0.0002014000000000, 0.0008923500000000, 0.0000000000000000 ] - [ 0.0012011500000000, 0.0025024900000000, 0.0000000000000000 ] - [ 0.0003244200000000, -0.0004579800000000, 0.0000000000000000 ] - [ -0.0116325000000000, 0.0063858400000000, 0.0000000000000000 ] - [ -0.0000904000000000, 0.0009796400000000, 0.0000000000000000 ] - [ 0.0003999500000000, -0.0039563500000000, 0.0030276400000000 ] - [ 0.0002992000000000, -0.0012756700000000, -0.0021956400000000 ] - [ 0.0045362200000000, 0.0029213100000000, -0.0043731300000000 ] - [ 0.0023134700000000, -0.0004738700000000, 0.0022997400000000 ] - [ -0.0050221000000000, 0.0002950600000000, 0.0025476800000000 ] - [ -0.0019915300000000, 0.0001223700000000, 0.0000076100000000 ] - [ -0.0050221000000000, 0.0002950600000000, -0.0025476800000000 ] - [ -0.0019915300000000, 0.0001223700000000, -0.0000076100000000 ] - [ 0.0045362200000000, 0.0029213100000000, 0.0043731300000000 ] - [ 0.0023134700000000, -0.0004738700000000, -0.0022997400000000 ] - [ 0.0003999500000000, -0.0039563500000000, -0.0030276400000000 ] - [ 0.0002992000000000, -0.0012756700000000, 0.0021956400000000 ] - [ 0.1186496800000000, 0.0402447500000000, 0.0959130000000000 ] - [ 0.0002097800000000, 0.0022533500000000, 0.0020416700000000 ] - [ -0.0022903800000000, 0.0010180200000000, -0.0016119300000000 ] - [ -0.0011131100000000, -0.0007662900000000, -0.0000552300000000 ] - [ -0.0020355700000000, 0.0006863800000000, 0.0004191400000000 ] - [ 0.0009999800000000, -0.0003608800000000, 0.0000665800000000 ] - [ -0.0020355700000000, 0.0006863800000000, -0.0004191400000000 ] - [ 0.0009999800000000, -0.0003608800000000, -0.0000665800000000 ] - [ -0.0022903800000000, 0.0010180200000000, 0.0016119300000000 ] - [ -0.0011131100000000, -0.0007662900000000, 0.0000552300000000 ] - [ 0.1186496800000000, 0.0402447500000000, -0.0959130000000000 ] - [ 0.0002097800000000, 0.0022533500000000, -0.0020416700000000 ] - [ 0.0012893600000000, -0.0097997100000000, 0.0000000000000000 ] - [ 0.0000169200000000, -0.0006406000000000, 0.0000000000000000 ] - [ -0.0001077000000000, -0.0027906900000000, -0.0039418700000000 ] - [ -0.0001077000000000, -0.0027906900000000, 0.0039418700000000 ] - [ 0.0070342700000000, -0.0000412400000000, 0.0020165600000000 ] - [ 0.0070342700000000, -0.0000412400000000, -0.0020165600000000 ] - [ -0.6397536500000000, 0.0275510200000000, 0.0000000000000000 ] - [ -0.0030169400000000, -0.0019246000000000, 0.0000000000000000 ] - [ 0.0036659700000000, -0.0088198800000000, 0.0000000000000000 ] - [ 0.0010288600000000, -0.0000244400000000, 0.0000000000000000 ] - [ 0.0173351200000000, 0.0009529200000000, 0.0000000000000000 ] - [ 0.0002275200000000, 0.0004841300000000, 0.0000000000000000 ] - [ -0.0051570200000000, 0.0018306700000000, -0.0046655400000000 ] - [ -0.0051570200000000, 0.0018306700000000, 0.0046655400000000 ] - [ 0.0035107800000000, -0.0166897500000000, 0.0061682100000000 ] - [ -0.0000175800000000, -0.0011902100000000, -0.0001796600000000 ] - [ 0.0205352500000000, -0.0025114600000000, -0.0190722400000000 ] - [ 0.0003150300000000, -0.0000784900000000, 0.0018029100000000 ] - [ 0.0035107800000000, -0.0166897500000000, -0.0061682100000000 ] - [ -0.0000175800000000, -0.0011902100000000, 0.0001796600000000 ] - [ -0.0005304800000000, 0.0002056400000000, -0.0005112600000000 ] - [ -0.0005304800000000, 0.0002056400000000, 0.0005112600000000 ] - [ -0.0051107200000000, 0.0010685400000000, 0.0101553300000000 ] - [ -0.0051107200000000, 0.0010685400000000, -0.0101553300000000 ] - [ 0.0019233600000000, 0.0021815400000000, -0.0004211900000000 ] - [ 0.0019233600000000, 0.0021815400000000, 0.0004211900000000 ] - [ 0.0286757500000000, 0.0167145100000000, 0.0000000000000000 ] - [ 0.0020625400000000, -0.0003152800000000, 0.0000000000000000 ] - [ 0.0028269500000000, 0.0134337400000000, 0.0000000000000000 ] - [ -0.0002438000000000, 0.0020141700000000, 0.0000000000000000 ] - [ -0.0131985500000000, -0.0086317600000000, 0.0000000000000000 ] - [ -0.0017701000000000, -0.0007177400000000, 0.0000000000000000 ] - [ 0.0205352500000000, -0.0025114600000000, 0.0190722400000000 ] - [ 0.0003150300000000, -0.0000784900000000, -0.0018029100000000 ]- atom: 55 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0022651400000000, -0.0006172000000000, 0.0004373900000000 ] - [ -0.0022651400000000, -0.0006172000000000, -0.0004373900000000 ] - [ 0.0000205200000000, -0.0011632200000000, -0.0001862600000000 ] - [ 0.0000205200000000, -0.0011632200000000, 0.0001862600000000 ] - [ 0.0034470000000000, -0.0009978600000000, 0.0023902600000000 ] - [ 0.0034470000000000, -0.0009978600000000, -0.0023902600000000 ] - [ -0.2809246200000000, 0.0873519700000000, 0.0000000000000000 ] - [ -0.0020044000000000, 0.0000510400000000, 0.0000000000000000 ] - [ 0.0078365700000000, -0.0080280700000000, 0.0000000000000000 ] - [ 0.0006107300000000, -0.0008084600000000, 0.0000000000000000 ] - [ 0.0139652200000000, 0.0071904200000000, 0.0000000000000000 ] - [ 0.0007778200000000, 0.0007781100000000, 0.0000000000000000 ] - [ -0.0038628900000000, 0.0008246900000000, -0.0032667400000000 ] - [ -0.0038628900000000, 0.0008246900000000, 0.0032667400000000 ] - [ -0.0005721800000000, -0.0021489500000000, -0.0022013700000000 ] - [ -0.0005721800000000, -0.0021489500000000, 0.0022013700000000 ] - [ 0.0046154600000000, -0.0003175600000000, -0.0018504500000000 ] - [ 0.0046154600000000, -0.0003175600000000, 0.0018504500000000 ] - [ -0.0624069400000000, -0.0016925900000000, 0.0000000000000000 ] - [ -0.0013380900000000, -0.0006681100000000, 0.0000000000000000 ] - [ -0.0006420500000000, -0.0039592900000000, 0.0000000000000000 ] - [ 0.0002552700000000, -0.0009823900000000, 0.0000000000000000 ] - [ 0.0127269200000000, -0.0052724200000000, 0.0000000000000000 ] - [ 0.0010351700000000, 0.0002508900000000, 0.0000000000000000 ] - [ -0.0002308300000000, 0.0021445100000000, -0.0042991100000000 ] - [ -0.0001416000000000, -0.0005266700000000, 0.0008882800000000 ] - [ -0.0030398700000000, -0.0018910400000000, 0.0056588000000000 ] - [ -0.0008131900000000, 0.0015020600000000, -0.0010030600000000 ] - [ 0.0033935300000000, 0.0004825200000000, -0.0012820000000000 ] - [ 0.0003462000000000, 0.0006507400000000, 0.0013028900000000 ] - [ 0.0033935300000000, 0.0004825200000000, 0.0012820000000000 ] - [ 0.0003462000000000, 0.0006507400000000, -0.0013028900000000 ] - [ -0.0030398700000000, -0.0018910400000000, -0.0056588000000000 ] - [ -0.0008131900000000, 0.0015020600000000, 0.0010030600000000 ] - [ -0.0002308300000000, 0.0021445100000000, 0.0042991100000000 ] - [ -0.0001416000000000, -0.0005266700000000, -0.0008882800000000 ] - [ -0.1201776900000000, -0.0390297600000000, -0.0996432600000000 ] - [ -0.0006593900000000, 0.0004970700000000, -0.0017226200000000 ] - [ 0.0001365100000000, -0.0027641600000000, 0.0013088800000000 ] - [ -0.0010410900000000, -0.0009900700000000, -0.0002548500000000 ] - [ 0.0046576700000000, -0.0017181500000000, -0.0007615100000000 ] - [ 0.0015991100000000, -0.0006255400000000, -0.0003750900000000 ] - [ 0.0046576700000000, -0.0017181500000000, 0.0007615100000000 ] - [ 0.0015991100000000, -0.0006255400000000, 0.0003750900000000 ] - [ 0.0001365100000000, -0.0027641600000000, -0.0013088800000000 ] - [ -0.0010410900000000, -0.0009900700000000, 0.0002548500000000 ] - [ -0.1201776900000000, -0.0390297600000000, 0.0996432600000000 ] - [ -0.0006593900000000, 0.0004970700000000, 0.0017226200000000 ] - [ -0.0013225300000000, 0.0098315000000000, 0.0000000000000000 ] - [ -0.0000167400000000, 0.0006434000000000, 0.0000000000000000 ] - [ -0.0002142100000000, 0.0018848800000000, 0.0039321900000000 ] - [ -0.0002142100000000, 0.0018848800000000, -0.0039321900000000 ] - [ -0.0060896700000000, 0.0002294300000000, -0.0020509600000000 ] - [ -0.0060896700000000, 0.0002294300000000, 0.0020509600000000 ] - [ 0.6226018700000000, -0.0161727100000000, 0.0000000000000000 ] - [ 0.0023568600000000, -0.0001651500000000, 0.0000000000000000 ] - [ -0.0015096800000000, 0.0092928000000000, 0.0000000000000000 ] - [ 0.0011074600000000, 0.0004937500000000, 0.0000000000000000 ] - [ -0.0189271500000000, 0.0007872700000000, 0.0000000000000000 ] - [ -0.0016864900000000, 0.0011164100000000, 0.0000000000000000 ] - [ 0.0044795800000000, -0.0011185400000000, 0.0046532300000000 ] - [ 0.0044795800000000, -0.0011185400000000, -0.0046532300000000 ] - [ -0.0034503600000000, 0.0167855100000000, -0.0057405100000000 ] - [ 0.0000245100000000, 0.0011883500000000, 0.0007072700000000 ] - [ -0.0204738100000000, 0.0024375900000000, 0.0201612900000000 ] - [ -0.0003235800000000, 0.0000748300000000, -0.0006660900000000 ] - [ -0.0034503600000000, 0.0167855100000000, 0.0057405100000000 ] - [ 0.0000245100000000, 0.0011883500000000, -0.0007072700000000 ] - [ -0.0029493800000000, -0.0002717300000000, 0.0004912100000000 ] - [ -0.0029493800000000, -0.0002717300000000, -0.0004912100000000 ] - [ 0.0069187900000000, -0.0040550100000000, -0.0101608700000000 ] - [ 0.0069187900000000, -0.0040550100000000, 0.0101608700000000 ] - [ -0.0002460600000000, 0.0008680600000000, 0.0004184800000000 ] - [ -0.0002460600000000, 0.0008680600000000, -0.0004184800000000 ] - [ -0.0258484200000000, -0.0185809800000000, 0.0000000000000000 ] - [ 0.0010630100000000, -0.0012235600000000, 0.0000000000000000 ] - [ -0.0030701700000000, -0.0099047400000000, 0.0000000000000000 ] - [ 0.0000124700000000, 0.0014565000000000, 0.0000000000000000 ] - [ 0.0102979800000000, 0.0067528700000000, 0.0000000000000000 ] - [ -0.0011258900000000, -0.0012080500000000, 0.0000000000000000 ] - [ -0.0204738100000000, 0.0024375900000000, -0.0201612900000000 ] - [ -0.0003235800000000, 0.0000748300000000, 0.0006660900000000 ]- atom: 55 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0015337500000000, 0.0011182900000000, 0.0037050700000000 ] - [ -0.0015337500000000, 0.0011182900000000, -0.0037050700000000 ] - [ 0.0015644300000000, -0.0038430600000000, 0.0007293400000000 ] - [ 0.0015644300000000, -0.0038430600000000, -0.0007293400000000 ] - [ 0.0003664700000000, 0.0012206900000000, 0.0003477100000000 ] - [ 0.0003664700000000, 0.0012206900000000, -0.0003477100000000 ] - [ -0.2169907200000000, 0.1245021200000000, 0.0000000000000000 ] - [ -0.0011221200000000, 0.0002722200000000, 0.0000000000000000 ] - [ 0.0061178700000000, -0.0108236700000000, 0.0000000000000000 ] - [ 0.0007184200000000, -0.0011256100000000, 0.0000000000000000 ] - [ 0.0114846800000000, 0.0070819000000000, 0.0000000000000000 ] - [ 0.0004643000000000, 0.0009187900000000, 0.0000000000000000 ] - [ -0.0010984100000000, 0.0044112800000000, -0.0026043400000000 ] - [ -0.0010984100000000, 0.0044112800000000, 0.0026043400000000 ] - [ 0.0008317800000000, -0.0021760800000000, -0.0017794000000000 ] - [ 0.0008317800000000, -0.0021760800000000, 0.0017794000000000 ] - [ 0.0023458200000000, 0.0005624800000000, -0.0014238100000000 ] - [ 0.0023458200000000, 0.0005624800000000, 0.0014238100000000 ] - [ -0.0267186900000000, 0.2739074200000000, 0.0000000000000000 ] - [ -0.0008555700000000, 0.0004564200000000, 0.0000000000000000 ] - [ 0.0037026700000000, -0.0088337200000000, 0.0000000000000000 ] - [ 0.0005583600000000, -0.0009944500000000, 0.0000000000000000 ] - [ 0.0119798800000000, 0.0012708900000000, 0.0000000000000000 ] - [ 0.0006976600000000, 0.0006830100000000, 0.0000000000000000 ] - [ -0.0030634500000000, 0.0015019800000000, 0.0018391400000000 ] - [ -0.0005731100000000, 0.0000485100000000, -0.0014669400000000 ] - [ 0.0009502400000000, -0.0039428300000000, 0.0063580600000000 ] - [ 0.0009148600000000, 0.0000872400000000, -0.0013974400000000 ] - [ 0.0002346400000000, -0.0000523100000000, 0.0006298900000000 ] - [ -0.0003496900000000, 0.0002290200000000, 0.0006848000000000 ] - [ 0.0002346400000000, -0.0000523100000000, -0.0006298900000000 ] - [ -0.0003496900000000, 0.0002290200000000, -0.0006848000000000 ] - [ 0.0009502400000000, -0.0039428300000000, -0.0063580600000000 ] - [ 0.0009148600000000, 0.0000872400000000, 0.0013974400000000 ] - [ -0.0030634500000000, 0.0015019800000000, -0.0018391400000000 ] - [ -0.0005731100000000, 0.0000485100000000, 0.0014669400000000 ] - [ -0.0251065900000000, 0.0542212800000000, 0.0047989600000000 ] - [ -0.0003439000000000, 0.0015651200000000, 0.0000534000000000 ] - [ -0.0001320200000000, -0.0086593100000000, -0.0012024200000000 ] - [ -0.0008223900000000, -0.0011900600000000, 0.0002683400000000 ] - [ 0.0045285100000000, -0.0017905500000000, -0.0002176700000000 ] - [ 0.0013435700000000, -0.0005298000000000, -0.0000573800000000 ] - [ 0.0045285100000000, -0.0017905500000000, 0.0002176700000000 ] - [ 0.0013435700000000, -0.0005298000000000, 0.0000573800000000 ] - [ -0.0001320200000000, -0.0086593100000000, 0.0012024200000000 ] - [ -0.0008223900000000, -0.0011900600000000, -0.0002683400000000 ] - [ -0.0251065900000000, 0.0542212800000000, -0.0047989600000000 ] - [ -0.0003439000000000, 0.0015651200000000, -0.0000534000000000 ] - [ -0.0075052800000000, -0.0068058300000000, 0.0000000000000000 ] - [ -0.0003464600000000, -0.0001405400000000, 0.0000000000000000 ] - [ -0.0037422800000000, 0.0044728800000000, 0.0049238600000000 ] - [ -0.0037422800000000, 0.0044728800000000, -0.0049238600000000 ] - [ -0.0021923100000000, 0.0000850400000000, 0.0000609700000000 ] - [ -0.0021923100000000, 0.0000850400000000, -0.0000609700000000 ] - [ 0.3259153600000000, -0.5361573500000000, 0.0000000000000000 ] - [ 0.0002646600000000, -0.0017422900000000, 0.0000000000000000 ] - [ -0.0031023800000000, 0.0187616700000000, 0.0000000000000000 ] - [ 0.0004245300000000, 0.0009802800000000, 0.0000000000000000 ] - [ -0.0147259600000000, 0.0013001700000000, 0.0000000000000000 ] - [ -0.0010527500000000, 0.0006912500000000, 0.0000000000000000 ] - [ 0.0038777400000000, -0.0060920700000000, -0.0035022500000000 ] - [ 0.0038777400000000, -0.0060920700000000, 0.0035022500000000 ] - [ -0.0187602800000000, 0.0114776200000000, -0.0217048200000000 ] - [ -0.0006626100000000, 0.0000037700000000, 0.0011950800000000 ] - [ -0.0162033300000000, 0.0003012400000000, 0.0150041900000000 ] - [ -0.0002617300000000, -0.0003503400000000, -0.0003767300000000 ] - [ -0.0187602800000000, 0.0114776200000000, 0.0217048200000000 ] - [ -0.0006626100000000, 0.0000037700000000, -0.0011950800000000 ] - [ -0.0013415300000000, 0.0001108300000000, -0.0005233000000000 ] - [ -0.0013415300000000, 0.0001108300000000, 0.0005233000000000 ] - [ 0.0033365600000000, -0.0020107000000000, 0.0033668800000000 ] - [ 0.0033365600000000, -0.0020107000000000, -0.0033668800000000 ] - [ 0.0004360900000000, 0.0035423200000000, -0.0019419500000000 ] - [ 0.0004360900000000, 0.0035423200000000, 0.0019419500000000 ] - [ 0.0033546900000000, -0.0044734300000000, 0.0000000000000000 ] - [ 0.0015770100000000, -0.0008036900000000, 0.0000000000000000 ] - [ 0.0161550100000000, 0.0125555600000000, 0.0000000000000000 ] - [ 0.0001293000000000, 0.0018926100000000, 0.0000000000000000 ] - [ 0.0010073300000000, 0.0186402800000000, 0.0000000000000000 ] - [ -0.0012185500000000, -0.0006589900000000, 0.0000000000000000 ] - [ -0.0162033300000000, 0.0003012400000000, -0.0150041900000000 ] - [ -0.0002617300000000, -0.0003503400000000, 0.0003767300000000 ]- atom: 55 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0033522100000000, -0.0007115900000000, -0.0037013600000000 ] - [ 0.0033522100000000, -0.0007115900000000, 0.0037013600000000 ] - [ -0.0028263300000000, 0.0052263000000000, -0.0007154300000000 ] - [ -0.0028263300000000, 0.0052263000000000, 0.0007154300000000 ] - [ -0.0009342200000000, -0.0029866900000000, -0.0003426300000000 ] - [ -0.0009342200000000, -0.0029866900000000, 0.0003426300000000 ] - [ 0.2288715000000000, -0.1281878700000000, 0.0000000000000000 ] - [ -0.0003986900000000, -0.0003542400000000, 0.0000000000000000 ] - [ -0.0053050000000000, 0.0095295600000000, 0.0000000000000000 ] - [ 0.0001130700000000, -0.0001505600000000, 0.0000000000000000 ] - [ -0.0107324500000000, -0.0057092700000000, 0.0000000000000000 ] - [ 0.0002221800000000, 0.0004371600000000, 0.0000000000000000 ] - [ 0.0012920300000000, -0.0036184200000000, 0.0025879500000000 ] - [ 0.0012920300000000, -0.0036184200000000, -0.0025879500000000 ] - [ -0.0016162900000000, 0.0019289100000000, 0.0017827800000000 ] - [ -0.0016162900000000, 0.0019289100000000, -0.0017827800000000 ] - [ -0.0017446000000000, -0.0011120000000000, 0.0014202600000000 ] - [ -0.0017446000000000, -0.0011120000000000, -0.0014202600000000 ] - [ 0.0262930300000000, -0.2573582900000000, 0.0000000000000000 ] - [ -0.0006807100000000, -0.0002348000000000, 0.0000000000000000 ] - [ -0.0031511200000000, 0.0073667400000000, 0.0000000000000000 ] - [ 0.0000167900000000, -0.0004395300000000, 0.0000000000000000 ] - [ -0.0109077800000000, -0.0000666200000000, 0.0000000000000000 ] - [ 0.0002451500000000, 0.0005433000000000, 0.0000000000000000 ] - [ 0.0032270600000000, -0.0032993100000000, -0.0031459500000000 ] - [ 0.0007307200000000, -0.0018590900000000, 0.0001655900000000 ] - [ 0.0005355300000000, 0.0049962200000000, -0.0051055100000000 ] - [ 0.0005851400000000, 0.0009475600000000, 0.0027187000000000 ] - [ -0.0018966800000000, 0.0008266000000000, 0.0006808200000000 ] - [ -0.0013038700000000, 0.0005431500000000, 0.0006188600000000 ] - [ -0.0018966800000000, 0.0008266000000000, -0.0006808200000000 ] - [ -0.0013038700000000, 0.0005431500000000, -0.0006188600000000 ] - [ 0.0005355300000000, 0.0049962200000000, 0.0051055100000000 ] - [ 0.0005851400000000, 0.0009475600000000, -0.0027187000000000 ] - [ 0.0032270600000000, -0.0032993100000000, 0.0031459500000000 ] - [ 0.0007307200000000, -0.0018590900000000, -0.0001655900000000 ] - [ 0.0256118900000000, -0.0508427400000000, -0.0030912800000000 ] - [ -0.0000945500000000, 0.0011778800000000, 0.0002390600000000 ] - [ -0.0020397800000000, 0.0069204600000000, 0.0009190800000000 ] - [ -0.0013365800000000, -0.0005572000000000, -0.0005588100000000 ] - [ -0.0019134400000000, 0.0007982800000000, -0.0000838600000000 ] - [ 0.0012497600000000, -0.0004597000000000, -0.0002294200000000 ] - [ -0.0019134400000000, 0.0007982800000000, 0.0000838600000000 ] - [ 0.0012497600000000, -0.0004597000000000, 0.0002294200000000 ] - [ -0.0020397800000000, 0.0069204600000000, -0.0009190800000000 ] - [ -0.0013365800000000, -0.0005572000000000, 0.0005588100000000 ] - [ 0.0256118900000000, -0.0508427400000000, 0.0030912800000000 ] - [ -0.0000945500000000, 0.0011778800000000, -0.0002390600000000 ] - [ 0.0075602500000000, 0.0068194800000000, 0.0000000000000000 ] - [ 0.0003501300000000, 0.0001449900000000, 0.0000000000000000 ] - [ 0.0034550600000000, -0.0053832000000000, -0.0049680200000000 ] - [ 0.0034550600000000, -0.0053832000000000, 0.0049680200000000 ] - [ 0.0031348400000000, 0.0000878900000000, -0.0000552900000000 ] - [ 0.0031348400000000, 0.0000878900000000, 0.0000552900000000 ] - [ -0.3430165900000000, 0.5197340000000000, 0.0000000000000000 ] - [ -0.0009064600000000, -0.0003469300000000, 0.0000000000000000 ] - [ 0.0052923000000000, -0.0182713500000000, 0.0000000000000000 ] - [ 0.0017111200000000, -0.0004959200000000, 0.0000000000000000 ] - [ 0.0131459700000000, 0.0003403000000000, 0.0000000000000000 ] - [ -0.0004189400000000, 0.0008975900000000, 0.0000000000000000 ] - [ -0.0045148600000000, 0.0067935100000000, 0.0035218500000000 ] - [ -0.0045148600000000, 0.0067935100000000, -0.0035218500000000 ] - [ 0.0186411300000000, -0.0113157300000000, 0.0219923700000000 ] - [ 0.0006679500000000, -0.0000092200000000, -0.0006725800000000 ] - [ 0.0162399800000000, -0.0002701200000000, -0.0138635400000000 ] - [ 0.0002576000000000, 0.0003548500000000, 0.0015198900000000 ] - [ 0.0186411300000000, -0.0113157300000000, -0.0219923700000000 ] - [ 0.0006679500000000, -0.0000092200000000, 0.0006725800000000 ] - [ -0.0021503400000000, -0.0001907200000000, 0.0005115700000000 ] - [ -0.0021503400000000, -0.0001907200000000, -0.0005115700000000 ] - [ -0.0015380300000000, -0.0009436300000000, -0.0033673600000000 ] - [ -0.0015380300000000, -0.0009436300000000, 0.0033673600000000 ] - [ 0.0012485300000000, -0.0004807000000000, 0.0019395400000000 ] - [ 0.0012485300000000, -0.0004807000000000, -0.0019395400000000 ] - [ -0.0001500500000000, 0.0029707000000000, 0.0000000000000000 ] - [ 0.0015439600000000, -0.0007384800000000, 0.0000000000000000 ] - [ -0.0163823000000000, -0.0091034700000000, 0.0000000000000000 ] - [ -0.0003579900000000, 0.0015767400000000, 0.0000000000000000 ] - [ -0.0039137500000000, -0.0207573600000000, 0.0000000000000000 ] - [ -0.0016833300000000, -0.0012689400000000, 0.0000000000000000 ] - [ 0.0162399800000000, -0.0002701200000000, 0.0138635400000000 ] - [ 0.0002576000000000, 0.0003548500000000, -0.0015198900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0024314600000000, 0.0038791400000000, -0.0024443600000000 ] - [ -0.0006196200000000, -0.0035022700000000, -0.0024523100000000 ] - [ -0.0001370400000000, -0.0004651800000000, -0.0015043900000000 ] - [ -0.0011189600000000, 0.0018410500000000, -0.0014994100000000 ] - [ -0.0054579200000000, -0.0004532700000000, -0.0042700100000000 ] - [ 0.0049178200000000, -0.0012971400000000, -0.0042620200000000 ] - [ -0.0017288600000000, 0.0002760900000000, 0.0626260900000000 ] - [ -0.0007743700000000, -0.0000362600000000, -0.0032385200000000 ] - [ 0.0004235300000000, -0.0006541000000000, 0.0022981400000000 ] - [ 0.0004191600000000, -0.0006490100000000, -0.0023751900000000 ] - [ 0.0003576100000000, 0.0006922000000000, 0.0023003100000000 ] - [ 0.0003478400000000, 0.0006844100000000, -0.0022720800000000 ] - [ 0.0054406300000000, 0.0036993800000000, -0.0044138300000000 ] - [ -0.0052778600000000, -0.0029419200000000, -0.0044498500000000 ] - [ 0.0013044400000000, 0.0001431800000000, -0.0006894700000000 ] - [ -0.0020784900000000, -0.0003660000000000, -0.0006840700000000 ] - [ -0.0016316000000000, -0.0000986600000000, -0.0001698300000000 ] - [ 0.0022039300000000, -0.0004514300000000, -0.0001608800000000 ] - [ -0.0008089300000000, -0.0008363300000000, 0.0628533600000000 ] - [ -0.0007648400000000, 0.0001108700000000, -0.0029666100000000 ] - [ 0.0002835800000000, -0.0007154900000000, 0.0037310200000000 ] - [ 0.0002865800000000, -0.0007171900000000, -0.0021426600000000 ] - [ 0.0004940100000000, 0.0006019000000000, 0.0085530900000000 ] - [ 0.0004740500000000, 0.0006107100000000, -0.0023504900000000 ] - [ 0.0020461500000000, 0.0015342500000000, 0.0005567200000000 ] - [ -0.0016480300000000, -0.0029055500000000, -0.0034362100000000 ] - [ -0.0036762100000000, 0.0050945800000000, -0.0007105400000000 ] - [ 0.0019228800000000, -0.0009206600000000, -0.0025208400000000 ] - [ 0.0033893300000000, 0.0019118300000000, 0.0007505400000000 ] - [ -0.0015486400000000, -0.0009793800000000, -0.0019103200000000 ] - [ -0.0050629900000000, -0.0011571800000000, -0.0005512800000000 ] - [ -0.0000995800000000, 0.0017298400000000, -0.0031732500000000 ] - [ 0.0051390200000000, -0.0040247400000000, -0.0019833100000000 ] - [ -0.0004508200000000, 0.0019733400000000, -0.0037924600000000 ] - [ -0.0018883600000000, -0.0033457600000000, 0.0018501900000000 ] - [ 0.0018082600000000, 0.0010938600000000, -0.0021580500000000 ] - [ 0.0965179100000000, 0.0604220700000000, 0.2205752200000000 ] - [ -0.0006584400000000, 0.0000431900000000, -0.0076439400000000 ] - [ -0.0008252000000000, -0.0003666500000000, 0.0034606100000000 ] - [ -0.0015116100000000, -0.0004484000000000, -0.0032479300000000 ] - [ 0.0013870300000000, 0.0006554000000000, 0.0035726100000000 ] - [ 0.0011956600000000, -0.0009625300000000, -0.0031211500000000 ] - [ 0.0012040900000000, -0.0016360500000000, 0.0038640600000000 ] - [ 0.0013965900000000, -0.0000217400000000, -0.0028152300000000 ] - [ -0.0013251900000000, -0.0013866200000000, 0.0037541000000000 ] - [ -0.0006388500000000, -0.0013063800000000, -0.0029424900000000 ] - [ -0.1050786000000000, -0.0624828700000000, 0.2311806700000000 ] - [ 0.0002161700000000, 0.0026944600000000, -0.0079434500000000 ] - [ 0.0000051000000000, -0.0000040100000000, 0.0085513900000000 ] - [ 0.0000016400000000, 0.0000009300000000, -0.0022856100000000 ] - [ -0.0036391000000000, 0.0008620800000000, 0.0039159800000000 ] - [ 0.0033318400000000, -0.0017875600000000, 0.0039248400000000 ] - [ 0.0068016500000000, 0.0027446000000000, 0.0038348500000000 ] - [ -0.0058445200000000, -0.0025922400000000, 0.0037982100000000 ] - [ 0.0088984900000000, 0.0043140900000000, -0.5953569300000000 ] - [ -0.0003232500000000, -0.0010460400000000, 0.0092280000000000 ] - [ 0.0010684100000000, 0.0002397000000000, -0.0042806200000000 ] - [ 0.0010700600000000, 0.0002388000000000, 0.0045584400000000 ] - [ -0.0007391700000000, 0.0007935900000000, -0.0042806800000000 ] - [ -0.0007324700000000, 0.0008024100000000, 0.0045576200000000 ] - [ -0.0060604700000000, -0.0076302900000000, 0.0037734800000000 ] - [ 0.0054604600000000, 0.0084294700000000, 0.0037811100000000 ] - [ 0.0095785200000000, -0.0199973400000000, -0.0004898500000000 ] - [ -0.0003756800000000, 0.0010717600000000, 0.0049806600000000 ] - [ -0.0064569800000000, 0.0015880600000000, -0.0031660300000000 ] - [ 0.0010032300000000, -0.0003965300000000, 0.0050473000000000 ] - [ -0.0096843500000000, 0.0201051000000000, -0.0010292400000000 ] - [ 0.0003675400000000, -0.0010726400000000, 0.0044598100000000 ] - [ -0.0018758900000000, -0.0002902100000000, 0.0003141400000000 ] - [ -0.0016010000000000, 0.0002334900000000, 0.0003048000000000 ] - [ -0.0007276500000000, 0.0055303500000000, 0.0271139300000000 ] - [ 0.0024533500000000, -0.0085890400000000, 0.0272099700000000 ] - [ 0.0009701600000000, 0.0019273600000000, 0.0003361100000000 ] - [ 0.0007275500000000, 0.0011445700000000, 0.0003211700000000 ] - [ 0.0015807800000000, -0.0007635900000000, -0.0264898600000000 ] - [ 0.0015646900000000, -0.0007786500000000, 0.0039877300000000 ] - [ -0.0001121600000000, 0.0017267000000000, -0.0046106900000000 ] - [ -0.0001106100000000, 0.0017479700000000, 0.0034892800000000 ] - [ -0.0014574000000000, -0.0009407600000000, -0.0106418700000000 ] - [ -0.0014588600000000, -0.0009678100000000, 0.0039446800000000 ] - [ 0.0065130500000000, -0.0015961900000000, -0.0043349000000000 ] - [ -0.0009937000000000, 0.0003889200000000, 0.0039025000000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0042238100000000, 0.0010316700000000, -0.0018509100000000 ] - [ 0.0008879300000000, 0.0001390500000000, -0.0005039900000000 ] - [ 0.0047121100000000, 0.0023216600000000, 0.0007173100000000 ] - [ -0.0002181800000000, 0.0010519200000000, 0.0002106800000000 ] - [ 0.0045824400000000, -0.0016995700000000, 0.0008583200000000 ] - [ 0.0002739000000000, -0.0011165500000000, 0.0002946800000000 ] - [ -0.0047151000000000, 0.0036296900000000, -0.0006189600000000 ] - [ -0.0008632800000000, 0.0002809900000000, 0.0000342100000000 ] - [ 0.0027103300000000, -0.0032547700000000, -0.0016840000000000 ] - [ 0.0006501300000000, -0.0010442300000000, 0.0000816200000000 ] - [ -0.0059289900000000, -0.0041760700000000, 0.0022826800000000 ] - [ -0.0002051800000000, 0.0003666100000000, -0.0001153000000000 ] - [ -0.0033665300000000, 0.0045241400000000, 0.0007741700000000 ] - [ -0.0002331700000000, 0.0004485900000000, -0.0003040200000000 ] - [ 0.0018108500000000, 0.0021584300000000, 0.0004115600000000 ] - [ -0.0001409500000000, -0.0001203700000000, -0.0000725900000000 ] - [ -0.0019680700000000, -0.0019656100000000, -0.0011707700000000 ] - [ 0.0001864900000000, -0.0007463800000000, 0.0003754500000000 ] - [ 0.0082074200000000, 0.0019834400000000, 0.0025573800000000 ] - [ -0.0004285800000000, 0.0003824100000000, 0.0004544900000000 ] - [ 0.0098233000000000, -0.0016247500000000, -0.0028959600000000 ] - [ 0.0009507500000000, -0.0006427600000000, -0.0001273300000000 ] - [ 0.0070285800000000, 0.0004371500000000, 0.0006402800000000 ] - [ 0.0008007200000000, 0.0004933600000000, -0.0003307600000000 ] - [ -0.0069485500000000, -0.0009622800000000, -0.0012641400000000 ] - [ -0.0003598600000000, -0.0009981100000000, -0.0007950400000000 ] - [ 0.0008487900000000, 0.0012695500000000, 0.0008611700000000 ] - [ -0.0004146000000000, 0.0028012700000000, -0.0004221200000000 ] - [ -0.0007250500000000, -0.0004815400000000, 0.0010165200000000 ] - [ -0.0016989900000000, -0.0020575000000000, -0.0006001900000000 ] - [ -0.0015779600000000, -0.0033069000000000, -0.0001353800000000 ] - [ -0.0007886000000000, 0.0000942000000000, -0.0004632300000000 ] - [ -0.0000298200000000, 0.0040886600000000, -0.0004900500000000 ] - [ 0.0006855300000000, 0.0007494400000000, -0.0006617200000000 ] - [ -0.0011927200000000, -0.0009365500000000, 0.0000362200000000 ] - [ -0.0049673400000000, -0.0012175300000000, 0.0029391500000000 ] - [ 0.0036740000000000, 0.0083494800000000, -0.0002468700000000 ] - [ -0.0000302500000000, 0.0014882500000000, 0.0001479000000000 ] - [ 0.0010584100000000, -0.0018001500000000, -0.0029178800000000 ] - [ -0.0002977000000000, -0.0017164500000000, 0.0013664300000000 ] - [ 0.0000634800000000, 0.0017239800000000, 0.0065521600000000 ] - [ 0.0009613300000000, -0.0007701300000000, -0.0018443000000000 ] - [ -0.0086954300000000, 0.0009598800000000, 0.0055789900000000 ] - [ 0.0013493700000000, -0.0005301300000000, -0.0000456600000000 ] - [ 0.0007962100000000, -0.0085439100000000, -0.0048607900000000 ] - [ -0.0008108000000000, -0.0009537300000000, 0.0003442700000000 ] - [ 0.0029350600000000, 0.0049153600000000, -0.0041019500000000 ] - [ 0.0004845300000000, 0.0017644600000000, 0.0000348500000000 ] - [ -0.0026670300000000, -0.0001410100000000, -0.0000017700000000 ] - [ -0.0004089700000000, -0.0002957500000000, -0.0000000400000000 ] - [ 0.0004713100000000, -0.0105854500000000, 0.0015580800000000 ] - [ -0.0003631300000000, -0.0010434700000000, -0.0001352300000000 ] - [ 0.0060660400000000, 0.0088921900000000, 0.0033354700000000 ] - [ 0.0001150500000000, 0.0007354700000000, -0.0007914500000000 ] - [ 0.0031430000000000, -0.0206800600000000, 0.0096488500000000 ] - [ -0.0003409800000000, -0.0018285200000000, -0.0003701700000000 ] - [ -0.0112402400000000, 0.0078818600000000, 0.0125523800000000 ] - [ -0.0002987500000000, 0.0006547200000000, -0.0007442200000000 ] - [ 0.0184179200000000, 0.0083835000000000, -0.0220371400000000 ] - [ -0.0003964100000000, 0.0017788500000000, 0.0011134200000000 ] - [ 0.0191541700000000, -0.0045485100000000, -0.0049886400000000 ] - [ 0.0004520800000000, 0.0005347800000000, 0.0009276800000000 ] - [ -0.0554130400000000, 0.0001285300000000, 0.0001597600000000 ] - [ -0.0006043700000000, -0.0000014500000000, 0.0002602700000000 ] - [ 0.0033575900000000, 0.0003134900000000, 0.0005755700000000 ] - [ 0.0003054700000000, 0.0000361600000000, 0.0005737600000000 ] - [ -0.0077764000000000, 0.0000084200000000, -0.0002923600000000 ] - [ -0.0060967300000000, -0.0000009500000000, -0.0002287700000000 ] - [ 0.0078552400000000, -0.0006211100000000, 0.0072045300000000 ] - [ -0.0008164100000000, -0.0000653800000000, -0.0017698600000000 ] - [ -0.0005184300000000, -0.0059879000000000, -0.0030636900000000 ] - [ 0.0008817000000000, -0.0019459800000000, 0.0010702800000000 ] - [ 0.0015786100000000, 0.0085456000000000, -0.0041892900000000 ] - [ 0.0009368700000000, 0.0021025900000000, 0.0007034600000000 ] - [ -0.0011821900000000, 0.0035660100000000, -0.0001786500000000 ] - [ 0.0012830500000000, -0.0004644600000000, 0.0004148500000000 ] - [ 0.0085781800000000, 0.0042483200000000, 0.0030552600000000 ] - [ 0.0004340600000000, 0.0021630700000000, -0.0010137600000000 ] - [ -0.0000899100000000, -0.0074282600000000, -0.0028482000000000 ] - [ -0.0012224100000000, -0.0013050900000000, 0.0006012500000000 ] - [ 0.0018814100000000, 0.0010788900000000, -0.0005721800000000 ] - [ 0.0014239000000000, -0.0008967900000000, -0.0005760900000000 ]- atom: 63 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0020004100000000, -0.0006174100000000, 0.0014810200000000 ] - [ 0.0009350200000000, 0.0002591800000000, 0.0005042900000000 ] - [ -0.0060433400000000, -0.0008441700000000, -0.0008026200000000 ] - [ -0.0010428700000000, 0.0003232500000000, -0.0002092500000000 ] - [ -0.0052038300000000, -0.0001711900000000, -0.0009477000000000 ] - [ -0.0008315700000000, -0.0006542400000000, -0.0002938400000000 ] - [ 0.0031762800000000, -0.0036966600000000, 0.0006168900000000 ] - [ -0.0006838600000000, -0.0003564600000000, -0.0000353200000000 ] - [ -0.0018497800000000, 0.0019774400000000, 0.0016740800000000 ] - [ 0.0001919600000000, -0.0002564600000000, -0.0000823500000000 ] - [ 0.0066302400000000, 0.0055789100000000, -0.0023122800000000 ] - [ 0.0009050000000000, 0.0010082000000000, 0.0001166000000000 ] - [ 0.0035512800000000, -0.0037186200000000, -0.0007599800000000 ] - [ 0.0004259100000000, 0.0003321900000000, 0.0003025000000000 ] - [ -0.0025732800000000, -0.0023680400000000, -0.0004112400000000 ] - [ -0.0006253900000000, -0.0001016700000000, 0.0000724900000000 ] - [ 0.0025210400000000, 0.0014317100000000, 0.0011865700000000 ] - [ 0.0003955500000000, 0.0001859200000000, -0.0003766500000000 ] - [ -0.0093762500000000, -0.0018966400000000, -0.0021597000000000 ] - [ -0.0011045400000000, -0.0001611100000000, -0.0004557900000000 ] - [ -0.0091997100000000, 0.0002207600000000, 0.0029073700000000 ] - [ -0.0003723200000000, -0.0007918500000000, 0.0001240600000000 ] - [ -0.0063133800000000, 0.0006947500000000, -0.0004503100000000 ] - [ 0.0001427800000000, 0.0007324600000000, 0.0003276700000000 ] - [ 0.0070997900000000, -0.0008264400000000, 0.0000175100000000 ] - [ 0.0005335200000000, -0.0007940200000000, -0.0004790800000000 ] - [ 0.0006149700000000, -0.0002225100000000, 0.0004135300000000 ] - [ 0.0018705200000000, -0.0017293100000000, 0.0016852100000000 ] - [ -0.0009166200000000, 0.0012265600000000, 0.0002571700000000 ] - [ 0.0000359900000000, 0.0027801300000000, 0.0018659200000000 ] - [ -0.0000783000000000, 0.0040445200000000, -0.0011251300000000 ] - [ -0.0008553800000000, 0.0006531700000000, -0.0008123500000000 ] - [ 0.0014858000000000, -0.0030384700000000, -0.0007695500000000 ] - [ 0.0007800600000000, 0.0002968100000000, -0.0006124500000000 ] - [ 0.0013693200000000, -0.0008543400000000, 0.0012286500000000 ] - [ 0.0051594400000000, -0.0005769300000000, -0.0016504600000000 ] - [ -0.0040546300000000, -0.0056257800000000, 0.0005878700000000 ] - [ -0.0004169800000000, 0.0012491100000000, 0.0001579400000000 ] - [ -0.0031768200000000, 0.0000372900000000, 0.0026140100000000 ] - [ -0.0018474300000000, -0.0000420400000000, -0.0016727100000000 ] - [ 0.0025223200000000, -0.0026976900000000, -0.0069020900000000 ] - [ 0.0016275200000000, -0.0002094600000000, 0.0015442300000000 ] - [ 0.0110821500000000, -0.0019185300000000, -0.0052563900000000 ] - [ 0.0012449400000000, -0.0004496900000000, 0.0003516600000000 ] - [ -0.0027917700000000, 0.0068423100000000, 0.0051731400000000 ] - [ -0.0013368100000000, -0.0008016800000000, -0.0000340300000000 ] - [ -0.0033813700000000, -0.0021636200000000, 0.0037884200000000 ] - [ -0.0009295700000000, 0.0009731200000000, -0.0003445900000000 ] - [ 0.0026702000000000, 0.0001281100000000, -0.0000018500000000 ] - [ 0.0004102000000000, 0.0002979800000000, 0.0000000200000000 ] - [ -0.0007742700000000, 0.0095998500000000, -0.0015750200000000 ] - [ 0.0000485400000000, 0.0001202600000000, 0.0001352200000000 ] - [ -0.0050187300000000, -0.0087029700000000, -0.0033768200000000 ] - [ 0.0008420700000000, -0.0005525400000000, 0.0007903700000000 ] - [ -0.0038260600000000, 0.0184937800000000, -0.0096149600000000 ] - [ -0.0003066300000000, -0.0002629400000000, 0.0003729900000000 ] - [ 0.0132295500000000, -0.0074536800000000, -0.0125437500000000 ] - [ 0.0024343300000000, -0.0001784300000000, 0.0007440100000000 ] - [ -0.0200154700000000, -0.0069142800000000, 0.0223253300000000 ] - [ -0.0010663500000000, -0.0001814700000000, -0.0011155600000000 ] - [ -0.0197263900000000, 0.0052682000000000, 0.0048576400000000 ] - [ -0.0010985300000000, 0.0001996100000000, -0.0009236800000000 ] - [ 0.0551766900000000, 0.0001271000000000, 0.0001588300000000 ] - [ 0.0006045800000000, -0.0000008200000000, 0.0002630200000000 ] - [ -0.0033576600000000, -0.0003401600000000, 0.0005672300000000 ] - [ -0.0003085700000000, -0.0000366700000000, 0.0005670900000000 ] - [ 0.0077757600000000, 0.0000090200000000, -0.0002949000000000 ] - [ 0.0060827000000000, -0.0000011700000000, -0.0002325200000000 ] - [ -0.0113881000000000, 0.0005792900000000, -0.0072896800000000 ] - [ -0.0026688700000000, 0.0000027100000000, 0.0017773700000000 ] - [ 0.0022884000000000, 0.0029956500000000, 0.0030662000000000 ] - [ 0.0009162800000000, -0.0010418200000000, -0.0010674000000000 ] - [ 0.0001008600000000, -0.0054588100000000, 0.0041748800000000 ] - [ 0.0007534600000000, 0.0009526400000000, -0.0007049200000000 ] - [ 0.0043075000000000, -0.0051099200000000, 0.0001729900000000 ] - [ 0.0018348100000000, -0.0010796000000000, -0.0004104000000000 ] - [ -0.0087731100000000, -0.0007411500000000, -0.0030103700000000 ] - [ -0.0006603700000000, 0.0013116600000000, 0.0010096000000000 ] - [ -0.0027975400000000, 0.0055314300000000, 0.0028669100000000 ] - [ -0.0016764500000000, -0.0006211000000000, -0.0005970700000000 ] - [ -0.0018847500000000, -0.0010881500000000, -0.0005644900000000 ] - [ -0.0014232400000000, 0.0008856700000000, -0.0005692800000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0040933500000000, -0.0004887100000000, 0.0079556300000000 ] - [ -0.0000342800000000, 0.0002507000000000, -0.0025357000000000 ] - [ -0.0016234400000000, 0.0037893000000000, 0.0079556300000000 ] - [ -0.0001999700000000, -0.0001550400000000, -0.0025357000000000 ] - [ -0.0024699100000000, -0.0033005900000000, 0.0079556300000000 ] - [ 0.0002342500000000, -0.0000956600000000, -0.0025357000000000 ] - [ -0.0039966400000000, 0.0042047300000000, 0.0016432300000000 ] - [ -0.0002858600000000, -0.0002646000000000, -0.0018226400000000 ] - [ -0.0016430900000000, -0.0055635600000000, 0.0016432300000000 ] - [ 0.0003720800000000, -0.0001152600000000, -0.0018226400000000 ] - [ 0.0056397300000000, 0.0013588200000000, 0.0016432300000000 ] - [ -0.0000862200000000, 0.0003798700000000, -0.0018226400000000 ] - [ 0.0030973500000000, -0.0027331700000000, 0.0016632200000000 ] - [ -0.0001817500000000, 0.0005590000000000, -0.0016252700000000 ] - [ 0.0008183200000000, 0.0040489700000000, 0.0016632200000000 ] - [ -0.0003932300000000, -0.0004369000000000, -0.0016252700000000 ] - [ -0.0039156700000000, -0.0013158000000000, 0.0016632200000000 ] - [ 0.0005749900000000, -0.0001221000000000, -0.0016252700000000 ] - [ 0.0013600400000000, 0.0033344000000000, 0.0101371200000000 ] - [ -0.0002153600000000, -0.0004403200000000, -0.0025173300000000 ] - [ -0.0035677000000000, -0.0004893700000000, 0.0101371200000000 ] - [ 0.0004890100000000, 0.0000336600000000, -0.0025173300000000 ] - [ 0.0022076600000000, -0.0028450300000000, 0.0101371200000000 ] - [ -0.0002736500000000, 0.0004066700000000, -0.0025173300000000 ] - [ 0.0040580400000000, -0.0003523100000000, 0.0053641000000000 ] - [ -0.0005092100000000, -0.0012971900000000, -0.0033619200000000 ] - [ 0.0007057400000000, 0.0003194400000000, -0.0015610200000000 ] - [ -0.0011143400000000, 0.0038068900000000, -0.0004270500000000 ] - [ -0.0006295100000000, 0.0004514600000000, -0.0015610200000000 ] - [ -0.0027396900000000, -0.0028684900000000, -0.0004270500000000 ] - [ -0.0023341300000000, -0.0033382100000000, 0.0053641000000000 ] - [ -0.0008687900000000, 0.0010895800000000, -0.0033619200000000 ] - [ -0.0017239100000000, 0.0036905200000000, 0.0053641000000000 ] - [ 0.0013780000000000, 0.0002076000000000, -0.0033619200000000 ] - [ -0.0000762200000000, -0.0007709100000000, -0.0015610200000000 ] - [ 0.0038540300000000, -0.0009384000000000, -0.0004270500000000 ] - [ 0.0001965200000000, 0.0065635400000000, 0.0103712000000000 ] - [ -0.0006353400000000, 0.0008688300000000, -0.0031757100000000 ] - [ -0.0047974000000000, -0.0029502400000000, -0.0018801700000000 ] - [ -0.0008035500000000, 0.0003273700000000, -0.0031241700000000 ] - [ 0.0049536800000000, -0.0026795500000000, -0.0018801700000000 ] - [ 0.0001182700000000, -0.0008595800000000, -0.0031241700000000 ] - [ 0.0055859400000000, -0.0034519600000000, 0.0103712000000000 ] - [ 0.0010701000000000, 0.0001158000000000, -0.0031757100000000 ] - [ -0.0057824500000000, -0.0031115800000000, 0.0103712000000000 ] - [ -0.0004347600000000, -0.0009846300000000, -0.0031757100000000 ] - [ -0.0001562800000000, 0.0056297900000000, -0.0018801700000000 ] - [ 0.0006852800000000, 0.0005322100000000, -0.0031241700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014656800000000 ] - [ 0.0045512700000000, -0.0175400600000000, -0.0035913700000000 ] - [ -0.0005029600000000, 0.0007426000000000, 0.0040187700000000 ] - [ 0.0129145000000000, 0.0127115500000000, -0.0035913700000000 ] - [ -0.0003916300000000, -0.0008068700000000, 0.0040187700000000 ] - [ 0.0056360000000000, -0.0228613100000000, -0.0007991500000000 ] - [ -0.0007747300000000, -0.0002131000000000, 0.0047154900000000 ] - [ 0.0169804800000000, 0.0163115700000000, -0.0007991500000000 ] - [ 0.0005719100000000, -0.0005643900000000, 0.0047154900000000 ] - [ -0.0226164800000000, 0.0065497400000000, -0.0007991500000000 ] - [ 0.0002028200000000, 0.0007774800000000, 0.0047154900000000 ] - [ -0.0174657700000000, 0.0048285200000000, -0.0035913700000000 ] - [ 0.0008945900000000, 0.0000642800000000, 0.0040187700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1030884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044638300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0201192000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0181104500000000 ] - [ 0.0032081200000000, -0.0009946600000000, -0.0034851600000000 ] - [ -0.0021053700000000, 0.0000798500000000, 0.0038224400000000 ] - [ -0.0007426500000000, 0.0032756400000000, -0.0034851600000000 ] - [ 0.0009835300000000, -0.0018632300000000, 0.0038224400000000 ] - [ -0.0024654600000000, -0.0022809800000000, -0.0034851600000000 ] - [ 0.0011218400000000, 0.0017833800000000, 0.0038224400000000 ] - [ 0.0013694200000000, -0.0046099400000000, -0.0024061600000000 ] - [ 0.0016355800000000, -0.0004195100000000, 0.0028032200000000 ] - [ 0.0033076200000000, 0.0034909200000000, -0.0024061600000000 ] - [ -0.0004544900000000, 0.0016262100000000, 0.0028032200000000 ] - [ -0.0046770400000000, 0.0011190200000000, -0.0024061600000000 ] - [ -0.0011810900000000, -0.0012067000000000, 0.0028032200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015613300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014275300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0018952600000000, 0.0008938100000000, -0.0082961900000000 ] - [ 0.0018697700000000, 0.0001463900000000, 0.0025360400000000 ] - [ 0.0001735700000000, -0.0020882500000000, -0.0082961900000000 ] - [ -0.0010616600000000, 0.0015460700000000, 0.0025360400000000 ] - [ 0.0017216900000000, 0.0011944400000000, -0.0082961900000000 ] - [ -0.0008081100000000, -0.0016924600000000, 0.0025360400000000 ] - [ 0.0024717700000000, -0.0042900900000000, -0.0016388800000000 ] - [ -0.0012597600000000, 0.0001792500000000, 0.0018233000000000 ] - [ 0.0024794400000000, 0.0042856600000000, -0.0016388800000000 ] - [ 0.0004746500000000, -0.0011806100000000, 0.0018233000000000 ] - [ -0.0049512200000000, 0.0000044300000000, -0.0016388800000000 ] - [ 0.0007851200000000, 0.0010013600000000, 0.0018233000000000 ] - [ -0.0029189800000000, 0.0035457000000000, -0.0016697600000000 ] - [ 0.0003684200000000, 0.0002455600000000, 0.0016306400000000 ] - [ -0.0016111800000000, -0.0043007600000000, -0.0016697600000000 ] - [ -0.0003968800000000, 0.0001962800000000, 0.0016306400000000 ] - [ 0.0045301600000000, 0.0007550600000000, -0.0016697600000000 ] - [ 0.0000284500000000, -0.0004418500000000, 0.0016306400000000 ] - [ -0.0025045400000000, -0.0032718300000000, -0.0096942200000000 ] - [ -0.0013349500000000, 0.0006561500000000, 0.0025247800000000 ] - [ 0.0040857600000000, -0.0005330800000000, -0.0096942200000000 ] - [ 0.0000992300000000, -0.0014841800000000, 0.0025247800000000 ] - [ -0.0015812200000000, 0.0038049100000000, -0.0096942200000000 ] - [ 0.0012357200000000, 0.0008280200000000, 0.0025247800000000 ] - [ -0.0039215800000000, -0.0014472000000000, -0.0066741900000000 ] - [ 0.0006606300000000, -0.0004995100000000, 0.0020726300000000 ] - [ 0.0007753900000000, 0.0007113200000000, 0.0028647800000000 ] - [ 0.0025893700000000, -0.0027674800000000, 0.0017140500000000 ] - [ -0.0010037200000000, 0.0003158500000000, 0.0028647800000000 ] - [ 0.0011020200000000, 0.0036262000000000, 0.0017140500000000 ] - [ 0.0007074800000000, 0.0041197900000000, -0.0066741900000000 ] - [ -0.0007629000000000, -0.0003223600000000, 0.0020726300000000 ] - [ 0.0032141000000000, -0.0026725900000000, -0.0066741900000000 ] - [ 0.0001022800000000, 0.0008218800000000, 0.0020726300000000 ] - [ 0.0002283200000000, -0.0010271700000000, 0.0028647800000000 ] - [ -0.0036913900000000, -0.0008587200000000, 0.0017140500000000 ] - [ -0.0006102800000000, -0.0038642300000000, -0.0099971700000000 ] - [ 0.0001868800000000, 0.0018782300000000, 0.0034971700000000 ] - [ 0.0026410800000000, 0.0011727600000000, 0.0015901800000000 ] - [ -0.0013541000000000, -0.0020982500000000, 0.0028141000000000 ] - [ -0.0023361800000000, 0.0017008600000000, 0.0015901800000000 ] - [ 0.0024941900000000, -0.0001235600000000, 0.0028141000000000 ] - [ -0.0030413800000000, 0.0024606300000000, -0.0099971700000000 ] - [ 0.0015331600000000, -0.0011009600000000, 0.0034971700000000 ] - [ 0.0036516600000000, 0.0014036000000000, -0.0099971700000000 ] - [ -0.0017200400000000, -0.0007772700000000, 0.0034971700000000 ] - [ -0.0003049000000000, -0.0028736200000000, 0.0015901800000000 ] - [ -0.0011400900000000, 0.0022218100000000, 0.0028141000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014654700000000 ] - [ -0.0048931500000000, 0.0166692200000000, 0.0035905200000000 ] - [ 0.0001820900000000, -0.0016512900000000, -0.0040311300000000 ] - [ -0.0119893900000000, -0.0125722100000000, 0.0035905200000000 ] - [ 0.0013390200000000, 0.0009833400000000, -0.0040311300000000 ] - [ -0.0062678800000000, 0.0207065500000000, 0.0007201400000000 ] - [ 0.0001158300000000, -0.0018685900000000, -0.0047246500000000 ] - [ -0.0147984600000000, -0.0157814100000000, 0.0007201400000000 ] - [ 0.0015603300000000, 0.0010346100000000, -0.0047246500000000 ] - [ 0.0210663300000000, -0.0049251300000000, 0.0007201400000000 ] - [ -0.0016761700000000, 0.0008339800000000, -0.0047246500000000 ] - [ 0.0168825500000000, -0.0040970200000000, 0.0035905200000000 ] - [ -0.0015211100000000, 0.0006679600000000, -0.0040311300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1032447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039423100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0203788900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0188751300000000 ] - [ -0.0067062400000000, 0.0009208000000000, 0.0035237200000000 ] - [ -0.0013802800000000, -0.0001576200000000, -0.0038307600000000 ] - [ 0.0025556800000000, -0.0062681800000000, 0.0035237200000000 ] - [ 0.0008266400000000, -0.0011165400000000, -0.0038307600000000 ] - [ 0.0041505600000000, 0.0053473800000000, 0.0035237200000000 ] - [ 0.0005536300000000, 0.0012741600000000, -0.0038307600000000 ] - [ 0.0017633900000000, 0.0030566700000000, 0.0023902500000000 ] - [ 0.0014873500000000, -0.0011322100000000, -0.0028040300000000 ] - [ -0.0035288500000000, -0.0000012000000000, 0.0023902500000000 ] - [ 0.0002368400000000, 0.0018541900000000, -0.0028040300000000 ] - [ 0.0017654600000000, -0.0030554800000000, 0.0023902500000000 ] - [ -0.0017242000000000, -0.0007219800000000, -0.0028040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025621600000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0020720700000000, 0.0037436000000000, -0.0003508800000000 ] - [ 0.0009014400000000, 0.0006091800000000, 0.0000356700000000 ] - [ 0.0013424000000000, -0.0021080200000000, -0.0011602100000000 ] - [ -0.0004299100000000, 0.0002478600000000, -0.0000165800000000 ] - [ -0.0062440300000000, -0.0048009700000000, 0.0015326500000000 ] - [ -0.0009071400000000, -0.0010714400000000, -0.0000191300000000 ] - [ 0.0090180900000000, 0.0004135600000000, -0.0071427900000000 ] - [ -0.0006061400000000, -0.0000534200000000, -0.0004433800000000 ] - [ 0.0067461100000000, -0.0022657100000000, 0.0033451300000000 ] - [ 0.0008169200000000, -0.0004955100000000, 0.0001182800000000 ] - [ 0.0068658500000000, 0.0034718200000000, 0.0042246200000000 ] - [ 0.0008066800000000, 0.0005945500000000, 0.0003230500000000 ] - [ 0.0078669500000000, 0.0022131300000000, 0.0025486900000000 ] - [ 0.0005201700000000, 0.0007904100000000, 0.0004892100000000 ] - [ 0.0078937600000000, -0.0008914400000000, -0.0019685800000000 ] - [ 0.0002082200000000, -0.0001036300000000, -0.0001503600000000 ] - [ 0.0063588000000000, -0.0001033700000000, -0.0008689900000000 ] - [ 0.0004669500000000, -0.0002280900000000, -0.0003355300000000 ] - [ -0.0046928900000000, 0.0047517700000000, 0.0007693100000000 ] - [ -0.0009980100000000, 0.0003228300000000, -0.0002744900000000 ] - [ 0.0016924400000000, 0.0014107900000000, 0.0003123300000000 ] - [ 0.0004773200000000, -0.0007679200000000, -0.0000649000000000 ] - [ -0.0029358400000000, -0.0006145200000000, -0.0011006800000000 ] - [ 0.0002385700000000, 0.0003453900000000, 0.0003410700000000 ] - [ 0.0035140000000000, 0.0049245300000000, -0.0010105000000000 ] - [ 0.0003067900000000, -0.0007092700000000, -0.0006194900000000 ] - [ 0.0012397900000000, -0.0004725600000000, 0.0017531300000000 ] - [ 0.0022177800000000, -0.0001814100000000, -0.0022584200000000 ] - [ -0.0013550400000000, 0.0002731700000000, -0.0004368700000000 ] - [ -0.0020643800000000, 0.0025154100000000, 0.0063218200000000 ] - [ -0.0121824800000000, 0.0030459000000000, 0.0050080000000000 ] - [ -0.0008536700000000, 0.0003484300000000, -0.0009045600000000 ] - [ -0.0005301800000000, -0.0080508900000000, -0.0058685000000000 ] - [ 0.0010099200000000, 0.0003782400000000, -0.0003801200000000 ] - [ 0.0008412200000000, -0.0005348000000000, 0.0005840500000000 ] - [ 0.0026763000000000, 0.0022009900000000, -0.0021354500000000 ] - [ -0.0072022800000000, 0.0017540600000000, -0.0004932400000000 ] - [ -0.0005328500000000, 0.0013417600000000, 0.0000444900000000 ] - [ -0.0020951100000000, 0.0010622300000000, -0.0013042000000000 ] - [ -0.0008294100000000, -0.0002876300000000, 0.0002214600000000 ] - [ 0.0002030100000000, -0.0027126800000000, -0.0020816000000000 ] - [ 0.0013008200000000, -0.0013070900000000, 0.0004036000000000 ] - [ 0.0000989700000000, -0.0042652900000000, 0.0007833200000000 ] - [ 0.0012960500000000, -0.0006851400000000, 0.0003127400000000 ] - [ -0.0015562900000000, 0.0024263600000000, 0.0001603800000000 ] - [ -0.0010834900000000, -0.0007346000000000, 0.0001272800000000 ] - [ -0.0049403700000000, 0.0013025500000000, 0.0029046700000000 ] - [ -0.0013331400000000, 0.0014668300000000, -0.0011023900000000 ] - [ -0.0019915900000000, 0.0007554100000000, -0.0000034700000000 ] - [ -0.0004299900000000, 0.0004815200000000, 0.0000003900000000 ] - [ -0.0094542100000000, 0.0070316200000000, 0.0110643000000000 ] - [ -0.0015279600000000, 0.0000526700000000, -0.0005983900000000 ] - [ 0.0174128000000000, 0.0049087200000000, -0.0173706100000000 ] - [ 0.0009711700000000, 0.0007913000000000, 0.0008955200000000 ] - [ 0.0201394100000000, -0.0079187100000000, -0.0064051500000000 ] - [ -0.0000057200000000, -0.0011562300000000, 0.0009950300000000 ] - [ 0.0013057100000000, -0.0089404100000000, 0.0018696700000000 ] - [ 0.0007284200000000, -0.0000718000000000, -0.0001576800000000 ] - [ 0.0075837900000000, 0.0102969400000000, 0.0046494900000000 ] - [ -0.0009060700000000, 0.0011680500000000, -0.0008397100000000 ] - [ 0.0011073100000000, -0.0162493700000000, 0.0061488000000000 ] - [ -0.0005948500000000, -0.0006502400000000, -0.0002968000000000 ] - [ 0.0033566000000000, -0.0003121000000000, 0.0002636600000000 ] - [ 0.0003082200000000, -0.0000360600000000, 0.0002645300000000 ] - [ -0.0553848000000000, -0.0002410100000000, 0.0004668900000000 ] - [ -0.0005541400000000, 0.0000007800000000, 0.0005626300000000 ] - [ 0.0018829900000000, -0.0010765800000000, -0.0002614400000000 ] - [ 0.0014252400000000, 0.0008959900000000, -0.0002675400000000 ] - [ -0.0035941900000000, 0.0062122100000000, -0.0013778300000000 ] - [ -0.0019986100000000, 0.0002731700000000, 0.0007589200000000 ] - [ 0.0108255800000000, -0.0005735500000000, 0.0047515000000000 ] - [ 0.0012762300000000, -0.0012340900000000, -0.0013966900000000 ] - [ 0.0002725200000000, -0.0051203900000000, -0.0034228900000000 ] - [ 0.0008660900000000, 0.0012576200000000, 0.0006367200000000 ] - [ 0.0089929500000000, -0.0022345500000000, 0.0042454300000000 ] - [ 0.0025838200000000, -0.0010447100000000, -0.0013179200000000 ] - [ -0.0014936100000000, -0.0011042600000000, -0.0014139300000000 ] - [ -0.0001900900000000, 0.0012317900000000, 0.0006799000000000 ] - [ 0.0003796100000000, 0.0045064200000000, -0.0027959100000000 ] - [ -0.0011663300000000, -0.0004005400000000, 0.0006347700000000 ] - [ -0.0073046400000000, -0.0000025100000000, -0.0006015900000000 ] - [ -0.0063022700000000, -0.0000070500000000, -0.0005337300000000 ]- atom: 65 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0038729300000000, -0.0033467100000000, 0.0003554800000000 ] - [ 0.0009125300000000, -0.0002102200000000, -0.0000356400000000 ] - [ -0.0026249200000000, 0.0034610100000000, 0.0011714300000000 ] - [ -0.0008278500000000, 0.0011221400000000, 0.0000166700000000 ] - [ 0.0056965200000000, 0.0030063900000000, -0.0015051400000000 ] - [ 0.0003566000000000, -0.0006983900000000, 0.0000186700000000 ] - [ -0.0111377700000000, -0.0004485700000000, 0.0077487100000000 ] - [ -0.0009806700000000, -0.0000173500000000, 0.0004416000000000 ] - [ -0.0058772800000000, 0.0008357300000000, -0.0032571600000000 ] - [ 0.0000366200000000, -0.0008283000000000, -0.0001205400000000 ] - [ -0.0060892300000000, -0.0019238000000000, -0.0040572900000000 ] - [ -0.0000874300000000, 0.0008027900000000, -0.0003236400000000 ] - [ -0.0079360600000000, -0.0012788900000000, -0.0028759300000000 ] - [ -0.0003295400000000, 0.0000008000000000, -0.0004889500000000 ] - [ -0.0087357400000000, 0.0006416800000000, 0.0019707600000000 ] - [ -0.0009912500000000, -0.0001220000000000, 0.0001541300000000 ] - [ -0.0055009000000000, -0.0003704900000000, 0.0006148100000000 ] - [ 0.0001232200000000, -0.0003418900000000, 0.0003381700000000 ] - [ 0.0031566800000000, -0.0045464500000000, -0.0007862700000000 ] - [ -0.0005500300000000, -0.0000971000000000, 0.0002745400000000 ] - [ -0.0011309800000000, -0.0028869700000000, -0.0003139700000000 ] - [ 0.0000952500000000, -0.0006838300000000, 0.0000649800000000 ] - [ 0.0039171000000000, 0.0018227600000000, 0.0010818300000000 ] - [ 0.0007184900000000, 0.0008846000000000, -0.0003380700000000 ] - [ -0.0033916800000000, -0.0067076600000000, -0.0002785500000000 ] - [ -0.0001402400000000, -0.0010834200000000, -0.0006507300000000 ] - [ 0.0002235800000000, 0.0015177600000000, -0.0004858700000000 ] - [ -0.0007793700000000, 0.0012265400000000, 0.0035354400000000 ] - [ -0.0002761800000000, 0.0004788800000000, 0.0017072000000000 ] - [ 0.0004357500000000, -0.0017695500000000, -0.0050067200000000 ] - [ 0.0105361800000000, -0.0022777800000000, -0.0062273600000000 ] - [ -0.0007838200000000, 0.0004030100000000, -0.0003685000000000 ] - [ 0.0019187700000000, 0.0091229500000000, 0.0046263600000000 ] - [ 0.0004578500000000, 0.0006644800000000, -0.0008921100000000 ] - [ -0.0006774100000000, -0.0012571000000000, 0.0006868800000000 ] - [ -0.0025108000000000, -0.0040004500000000, 0.0034099900000000 ] - [ 0.0067818700000000, 0.0009743700000000, 0.0007799400000000 ] - [ 0.0000766100000000, 0.0013965800000000, 0.0002748000000000 ] - [ -0.0000343500000000, -0.0028588200000000, 0.0009995400000000 ] - [ -0.0013139900000000, -0.0014781500000000, -0.0005437300000000 ] - [ 0.0024208100000000, 0.0017583100000000, 0.0017662000000000 ] - [ 0.0012999700000000, 0.0003320000000000, -0.0007247800000000 ] - [ 0.0025153700000000, 0.0032904600000000, -0.0004763700000000 ] - [ 0.0013054300000000, -0.0002894500000000, 0.0000087300000000 ] - [ -0.0005732400000000, -0.0042019700000000, 0.0001461200000000 ] - [ -0.0010634500000000, -0.0010302700000000, 0.0001939500000000 ] - [ 0.0044643400000000, 0.0014380800000000, -0.0032406100000000 ] - [ 0.0008734900000000, 0.0012697900000000, 0.0007930600000000 ] - [ 0.0019940900000000, -0.0007276700000000, -0.0000040300000000 ] - [ 0.0004299500000000, -0.0004723200000000, 0.0000005500000000 ] - [ 0.0093074300000000, -0.0079194400000000, -0.0111092500000000 ] - [ 0.0012206600000000, -0.0009708400000000, 0.0005990000000000 ] - [ -0.0163895600000000, -0.0046151200000000, 0.0171231900000000 ] - [ -0.0000281400000000, -0.0006067000000000, -0.0008952500000000 ] - [ -0.0208710200000000, 0.0058667400000000, 0.0065658300000000 ] - [ -0.0006446800000000, -0.0009255400000000, -0.0010014000000000 ] - [ 0.0008151400000000, 0.0095006100000000, -0.0018594900000000 ] - [ 0.0014143000000000, 0.0005365500000000, 0.0001602500000000 ] - [ -0.0091312300000000, -0.0086756100000000, -0.0045924400000000 ] - [ -0.0005547600000000, 0.0004442800000000, 0.0008397900000000 ] - [ -0.0017065400000000, 0.0170314900000000, -0.0061705700000000 ] - [ -0.0000410400000000, 0.0013843500000000, 0.0002964600000000 ] - [ -0.0033582400000000, 0.0003419700000000, 0.0002625900000000 ] - [ -0.0003065300000000, 0.0000363600000000, 0.0002636900000000 ] - [ 0.0559458100000000, -0.0002395300000000, 0.0004597300000000 ] - [ 0.0005516000000000, -0.0000004400000000, 0.0005615700000000 ] - [ -0.0018836800000000, 0.0010903000000000, -0.0002607300000000 ] - [ -0.0014212900000000, -0.0008857300000000, -0.0002663100000000 ] - [ 0.0001018900000000, -0.0062805800000000, 0.0013758800000000 ] - [ -0.0014831600000000, -0.0003374000000000, -0.0007623700000000 ] - [ -0.0090736400000000, -0.0024240600000000, -0.0048291400000000 ] - [ 0.0005215200000000, -0.0017509500000000, 0.0014033900000000 ] - [ 0.0013815600000000, 0.0081425100000000, 0.0034046600000000 ] - [ 0.0008214600000000, 0.0017929400000000, -0.0006430600000000 ] - [ -0.0058484100000000, 0.0006578600000000, -0.0041907700000000 ] - [ 0.0005426700000000, -0.0005050800000000, 0.0013093500000000 ] - [ 0.0012731800000000, 0.0045773600000000, 0.0014117400000000 ] - [ -0.0000393300000000, 0.0022472800000000, -0.0006801400000000 ] - [ -0.0032753200000000, -0.0064648000000000, 0.0028132300000000 ] - [ -0.0017356100000000, -0.0015345600000000, -0.0006330800000000 ] - [ 0.0073207100000000, -0.0000031500000000, -0.0005999300000000 ] - [ 0.0062984300000000, -0.0000066100000000, -0.0005350100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0027997700000000, 0.0044355300000000, 0.0016786800000000 ] - [ 0.0013509500000000, -0.0000167000000000, -0.0018514900000000 ] - [ -0.0024413900000000, -0.0046424400000000, 0.0016786800000000 ] - [ -0.0006610100000000, 0.0011783100000000, -0.0018514900000000 ] - [ 0.0052411600000000, 0.0002069100000000, 0.0016786800000000 ] - [ -0.0006899400000000, -0.0011616100000000, -0.0018514900000000 ] - [ -0.0037124500000000, -0.0007410300000000, 0.0143900500000000 ] - [ -0.0017691800000000, 0.0001004400000000, -0.0028761600000000 ] - [ 0.0024979700000000, -0.0028445600000000, 0.0143900500000000 ] - [ 0.0007976000000000, -0.0015823800000000, -0.0028761600000000 ] - [ 0.0012144800000000, 0.0035855900000000, 0.0143900500000000 ] - [ 0.0009715800000000, 0.0014819300000000, -0.0028761600000000 ] - [ 0.0008166500000000, 0.0039831500000000, 0.0083124700000000 ] - [ 0.0007156700000000, -0.0003422000000000, -0.0027600200000000 ] - [ -0.0038578300000000, -0.0012843300000000, 0.0083124700000000 ] - [ -0.0000614800000000, 0.0007908900000000, -0.0027600200000000 ] - [ 0.0030411800000000, -0.0026988100000000, 0.0083124700000000 ] - [ -0.0006541900000000, -0.0004486900000000, -0.0027600200000000 ] - [ 0.0027347000000000, -0.0032127100000000, 0.0017598800000000 ] - [ -0.0010357400000000, 0.0002893600000000, -0.0017093500000000 ] - [ 0.0014149400000000, 0.0039746800000000, 0.0017598800000000 ] - [ 0.0002672800000000, -0.0010416500000000, -0.0017093500000000 ] - [ -0.0041496400000000, -0.0007619700000000, 0.0017598800000000 ] - [ 0.0007684600000000, 0.0007523000000000, -0.0017093500000000 ] - [ 0.0002594900000000, 0.0047450300000000, 0.0065193600000000 ] - [ -0.0004367000000000, -0.0015591900000000, -0.0037842800000000 ] - [ 0.0012302200000000, 0.0016604700000000, -0.0021492200000000 ] - [ -0.0030020300000000, -0.0012091100000000, -0.0005717700000000 ] - [ -0.0020531200000000, 0.0002351700000000, -0.0021492200000000 ] - [ 0.0025481300000000, -0.0019952800000000, -0.0005717700000000 ] - [ 0.0039795700000000, -0.0025972400000000, 0.0065193600000000 ] - [ -0.0011319500000000, 0.0011577800000000, -0.0037842800000000 ] - [ -0.0042390600000000, -0.0021477900000000, 0.0065193600000000 ] - [ 0.0015686400000000, 0.0004014000000000, -0.0037842800000000 ] - [ 0.0008229000000000, -0.0018956400000000, -0.0021492200000000 ] - [ 0.0004539000000000, 0.0032043900000000, -0.0005717700000000 ] - [ 0.0042077800000000, 0.0018589700000000, 0.0079330200000000 ] - [ -0.0007996900000000, 0.0010805300000000, -0.0031142000000000 ] - [ -0.0030285900000000, 0.0026484000000000, -0.0019969300000000 ] - [ -0.0011438200000000, -0.0011138000000000, -0.0026843600000000 ] - [ -0.0007792800000000, -0.0039470400000000, -0.0019969300000000 ] - [ 0.0015364900000000, -0.0004336800000000, -0.0026843600000000 ] - [ -0.0004939800000000, -0.0045735300000000, 0.0079330200000000 ] - [ 0.0013356200000000, 0.0001522900000000, -0.0031142000000000 ] - [ -0.0037138100000000, 0.0027145600000000, 0.0079330200000000 ] - [ -0.0005359200000000, -0.0012328200000000, -0.0031142000000000 ] - [ 0.0038078800000000, 0.0012986400000000, -0.0019969300000000 ] - [ -0.0003926700000000, 0.0015474800000000, -0.0026843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017593100000000 ] - [ 0.0151482900000000, 0.0135458800000000, -0.0008590800000000 ] - [ -0.0008903600000000, -0.0012337800000000, 0.0046057000000000 ] - [ -0.0193052200000000, 0.0063458600000000, -0.0008590800000000 ] - [ 0.0015136600000000, -0.0001541900000000, 0.0046057000000000 ] - [ -0.0199624000000000, 0.0042929300000000, -0.0037457300000000 ] - [ 0.0009047000000000, -0.0014271700000000, 0.0044756500000000 ] - [ 0.0062634100000000, -0.0194344100000000, -0.0037457300000000 ] - [ 0.0007836100000000, 0.0014970800000000, 0.0044756500000000 ] - [ 0.0136989800000000, 0.0151414800000000, -0.0037457300000000 ] - [ -0.0016883100000000, -0.0000699100000000, 0.0044756500000000 ] - [ 0.0041569300000000, -0.0198917500000000, -0.0008590800000000 ] - [ -0.0006233000000000, 0.0013879600000000, 0.0046057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074086300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1119541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018706200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017356100000000 ] - [ -0.0032546800000000, -0.0051059100000000, -0.0029554500000000 ] - [ -0.0016842400000000, 0.0005448300000000, 0.0037608900000000 ] - [ 0.0060491800000000, -0.0002656800000000, -0.0029554500000000 ] - [ 0.0003702800000000, -0.0017310100000000, 0.0037608900000000 ] - [ -0.0027945100000000, 0.0053715900000000, -0.0029554500000000 ] - [ 0.0013139600000000, 0.0011861800000000, 0.0037608900000000 ] - [ 0.0045568700000000, -0.0022491100000000, -0.0032995600000000 ] - [ 0.0013805700000000, -0.0007411200000000, 0.0031535000000000 ] - [ -0.0003306500000000, 0.0050709300000000, -0.0032995600000000 ] - [ -0.0000484600000000, 0.0015661700000000, 0.0031535000000000 ] - [ -0.0042262300000000, -0.0028218100000000, -0.0032995600000000 ] - [ -0.0013321100000000, -0.0008250500000000, 0.0031535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0223946200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0173377000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0046277800000000, -0.0040481900000000, -0.0016825600000000 ] - [ 0.0004904600000000, 0.0004095100000000, 0.0018537100000000 ] - [ 0.0011919400000000, 0.0060318700000000, -0.0016825600000000 ] - [ -0.0005998800000000, 0.0002199900000000, 0.0018537100000000 ] - [ -0.0058197200000000, -0.0019836900000000, -0.0016825600000000 ] - [ 0.0001094200000000, -0.0006295100000000, 0.0018537100000000 ] - [ 0.0015829400000000, 0.0007017500000000, -0.0138728200000000 ] - [ 0.0002457700000000, -0.0001842100000000, 0.0028781900000000 ] - [ -0.0013992000000000, 0.0010199900000000, -0.0138728200000000 ] - [ 0.0000366400000000, 0.0003049500000000, 0.0028781900000000 ] - [ -0.0001837400000000, -0.0017217400000000, -0.0138728200000000 ] - [ -0.0002824200000000, -0.0001207400000000, 0.0028781900000000 ] - [ -0.0009642800000000, -0.0030178200000000, -0.0087355800000000 ] - [ -0.0005193600000000, 0.0011359700000000, 0.0027528800000000 ] - [ 0.0030956500000000, 0.0006738200000000, -0.0087355800000000 ] - [ -0.0007241000000000, -0.0010177600000000, 0.0027528800000000 ] - [ -0.0021313700000000, 0.0023440000000000, -0.0087355800000000 ] - [ 0.0012434600000000, -0.0001182100000000, 0.0027528800000000 ] - [ -0.0042576200000000, 0.0034226500000000, -0.0017559600000000 ] - [ -0.0004942300000000, -0.0000783200000000, 0.0017054900000000 ] - [ -0.0008352900000000, -0.0053985400000000, -0.0017559600000000 ] - [ 0.0003149400000000, -0.0003888600000000, 0.0017054900000000 ] - [ 0.0050929100000000, 0.0019758900000000, -0.0017559600000000 ] - [ 0.0001792900000000, 0.0004671700000000, 0.0017054900000000 ] - [ -0.0001277800000000, -0.0065147300000000, -0.0078737100000000 ] - [ 0.0005931100000000, -0.0002491500000000, 0.0024825300000000 ] - [ 0.0002625100000000, -0.0006138800000000, 0.0034466200000000 ] - [ 0.0044954700000000, 0.0022639700000000, 0.0018489200000000 ] - [ 0.0004003800000000, 0.0005342800000000, 0.0034466200000000 ] - [ -0.0042083900000000, 0.0027612000000000, 0.0018489200000000 ] - [ -0.0055780300000000, 0.0033680200000000, -0.0078737100000000 ] - [ -0.0005123300000000, -0.0003890700000000, 0.0024825300000000 ] - [ 0.0057058100000000, 0.0031467100000000, -0.0078737100000000 ] - [ -0.0000807800000000, 0.0006382300000000, 0.0024825300000000 ] - [ -0.0006628900000000, 0.0000796000000000, 0.0034466200000000 ] - [ -0.0002870800000000, -0.0050251800000000, 0.0018489200000000 ] - [ -0.0046329800000000, 0.0008834500000000, -0.0076141000000000 ] - [ 0.0003626600000000, 0.0016597400000000, 0.0034148800000000 ] - [ 0.0008846100000000, -0.0044165000000000, 0.0017080000000000 ] - [ -0.0010090400000000, -0.0006372500000000, 0.0023747100000000 ] - [ 0.0033825000000000, 0.0029743400000000, 0.0017080000000000 ] - [ 0.0010564000000000, -0.0005552300000000, 0.0023747100000000 ] - [ 0.0030815800000000, 0.0035705600000000, -0.0076141000000000 ] - [ 0.0012560500000000, -0.0011439400000000, 0.0034148800000000 ] - [ 0.0015514000000000, -0.0044540000000000, -0.0076141000000000 ] - [ -0.0016187100000000, -0.0005158000000000, 0.0034148800000000 ] - [ -0.0042671100000000, 0.0014421600000000, 0.0017080000000000 ] - [ -0.0000473500000000, 0.0011924800000000, 0.0023747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019378000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017561400000000 ] - [ -0.0155369600000000, -0.0145147700000000, 0.0009216100000000 ] - [ 0.0005636100000000, 0.0003061900000000, -0.0046025200000000 ] - [ 0.0203386400000000, -0.0061980100000000, 0.0009216100000000 ] - [ -0.0005469800000000, 0.0003350000000000, -0.0046025200000000 ] - [ 0.0192733900000000, -0.0063766900000000, 0.0037535700000000 ] - [ -0.0015640400000000, -0.0006511000000000, -0.0044686900000000 ] - [ -0.0041143200000000, 0.0198795900000000, 0.0037535700000000 ] - [ 0.0013458900000000, -0.0010289500000000, -0.0044686900000000 ] - [ -0.0151590700000000, -0.0135029000000000, 0.0037535700000000 ] - [ 0.0002181500000000, 0.0016800500000000, -0.0044686900000000 ] - [ -0.0048016800000000, 0.0207127900000000, 0.0009216100000000 ] - [ -0.0000166300000000, -0.0006412000000000, -0.0046025200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079243200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032806300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1126936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041898500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022496600000000 ] - [ -0.0002369700000000, 0.0050457100000000, 0.0029792500000000 ] - [ -0.0017975400000000, -0.0006115200000000, -0.0037646200000000 ] - [ -0.0042512300000000, -0.0027280800000000, 0.0029792500000000 ] - [ 0.0014283600000000, -0.0012509600000000, -0.0037646200000000 ] - [ 0.0044882000000000, -0.0023176300000000, 0.0029792500000000 ] - [ 0.0003691800000000, 0.0018624800000000, -0.0037646200000000 ] - [ -0.0014292200000000, 0.0006948500000000, 0.0032763300000000 ] - [ 0.0017434100000000, -0.0008113900000000, -0.0031495900000000 ] - [ 0.0001128500000000, -0.0015851700000000, 0.0032763300000000 ] - [ -0.0001690300000000, 0.0019155300000000, -0.0031495900000000 ] - [ 0.0013163700000000, 0.0008903200000000, 0.0032763300000000 ] - [ -0.0015743900000000, -0.0011041500000000, -0.0031495900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0232421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0187048400000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ -0.0113847700000000, 0.0006250700000000, 0.0000000000000000 ] - [ 0.0006206200000000, 0.0001796400000000, 0.0000000000000000 ] - [ -0.0026899200000000, -0.0065177100000000, 0.0000000000000000 ] - [ -0.0007722100000000, 0.0004672100000000, 0.0000000000000000 ] - [ -0.0024367500000000, 0.0075512400000000, 0.0000000000000000 ] - [ -0.0003340100000000, -0.0006538800000000, 0.0000000000000000 ] - [ -0.0011882900000000, -0.0008877000000000, 0.0003324200000000 ] - [ -0.0011882900000000, -0.0008877000000000, -0.0003324200000000 ] - [ 0.0000358400000000, -0.0007033800000000, 0.0001893900000000 ] - [ 0.0000358400000000, -0.0007033800000000, -0.0001893900000000 ] - [ 0.0033533700000000, 0.0026920800000000, -0.0001665100000000 ] - [ 0.0033533700000000, 0.0026920800000000, 0.0001665100000000 ] - [ -0.0034502100000000, -0.0095513300000000, 0.0000000000000000 ] - [ 0.0000368600000000, 0.0001589600000000, 0.0000000000000000 ] - [ -0.0038674200000000, -0.0057841600000000, 0.0000000000000000 ] - [ -0.0005474400000000, -0.0001953500000000, 0.0000000000000000 ] - [ 0.0071772100000000, -0.0016348000000000, 0.0000000000000000 ] - [ 0.0003779400000000, -0.0000689600000000, 0.0000000000000000 ] - [ -0.0024241100000000, -0.0002333900000000, 0.0003960400000000 ] - [ -0.0024241100000000, -0.0002333900000000, -0.0003960400000000 ] - [ -0.0012732100000000, -0.0014380800000000, -0.0008443200000000 ] - [ -0.0012732100000000, -0.0014380800000000, 0.0008443200000000 ] - [ -0.0000795900000000, 0.0018107600000000, -0.0016887500000000 ] - [ -0.0000795900000000, 0.0018107600000000, 0.0016887500000000 ] - [ 0.0022208100000000, -0.0021308100000000, 0.0007346600000000 ] - [ 0.0002211200000000, -0.0012041300000000, -0.0011401000000000 ] - [ 0.0008302000000000, 0.0002889800000000, 0.0005454500000000 ] - [ 0.0021385400000000, -0.0048597300000000, 0.0027480800000000 ] - [ -0.0008926000000000, 0.0006696900000000, 0.0007047900000000 ] - [ 0.0003753000000000, 0.0022317100000000, 0.0013141500000000 ] - [ 0.0003753000000000, 0.0022317100000000, -0.0013141500000000 ] - [ -0.0008926000000000, 0.0006696900000000, -0.0007047900000000 ] - [ 0.0021385400000000, -0.0048597300000000, -0.0027480800000000 ] - [ 0.0008302000000000, 0.0002889800000000, -0.0005454500000000 ] - [ 0.0002211200000000, -0.0012041300000000, 0.0011401000000000 ] - [ 0.0022208100000000, -0.0021308100000000, -0.0007346600000000 ] - [ -0.0011121500000000, 0.0011615900000000, -0.0004111100000000 ] - [ -0.0005285700000000, 0.0013600100000000, 0.0000511200000000 ] - [ -0.0020782900000000, -0.0007177700000000, -0.0000458600000000 ] - [ -0.0034480800000000, -0.0000599400000000, -0.0009556600000000 ] - [ 0.0014187000000000, -0.0003740100000000, -0.0027730600000000 ] - [ 0.0098819100000000, -0.0001530000000000, -0.0085419900000000 ] - [ 0.0098819100000000, -0.0001530000000000, 0.0085419900000000 ] - [ 0.0014187000000000, -0.0003740100000000, 0.0027730600000000 ] - [ -0.0034480800000000, -0.0000599400000000, 0.0009556600000000 ] - [ -0.0020782900000000, -0.0007177700000000, 0.0000458600000000 ] - [ -0.0005285700000000, 0.0013600100000000, -0.0000511200000000 ] - [ -0.0011121500000000, 0.0011615900000000, 0.0004111100000000 ] - [ 0.0016632300000000, 0.0017467600000000, 0.0015992400000000 ] - [ 0.0016632300000000, 0.0017467600000000, -0.0015992400000000 ] - [ 0.0032854000000000, 0.0234035300000000, 0.0000000000000000 ] - [ -0.0000752700000000, -0.0000440200000000, 0.0000000000000000 ] - [ -0.0066708300000000, -0.0118479500000000, 0.0000000000000000 ] - [ 0.0004138100000000, -0.0004173300000000, 0.0000000000000000 ] - [ 0.0008823100000000, 0.0001291400000000, -0.0001307300000000 ] - [ 0.0008823100000000, 0.0001291400000000, 0.0001307300000000 ] - [ 0.0037068800000000, 0.0004797200000000, -0.0003898900000000 ] - [ 0.0037068800000000, 0.0004797200000000, 0.0003898900000000 ] - [ -0.0024035200000000, -0.0042309700000000, 0.0068742400000000 ] - [ -0.0024035200000000, -0.0042309700000000, -0.0068742400000000 ] - [ 0.0379726600000000, 0.0180361200000000, 0.0000000000000000 ] - [ 0.0002300300000000, 0.0006124400000000, 0.0000000000000000 ] - [ 0.0096431800000000, -0.0018809800000000, 0.0052599200000000 ] - [ 0.0009221200000000, -0.0000948700000000, -0.0000994700000000 ] - [ -0.0018285200000000, 0.0058857900000000, -0.0009421100000000 ] - [ -0.0002567100000000, 0.0001088900000000, 0.0006244600000000 ] - [ 0.0009221200000000, -0.0000948700000000, 0.0000994700000000 ] - [ 0.0096431800000000, -0.0018809800000000, -0.0052599200000000 ] - [ -0.0653868400000000, -0.0075271100000000, 0.0000000000000000 ] - [ -0.0025617200000000, 0.0000178500000000, 0.0000000000000000 ] - [ 0.0024770900000000, 0.0000630600000000, 0.0000000000000000 ] - [ 0.0008447900000000, -0.0015319400000000, 0.0000000000000000 ] - [ 0.0073653000000000, -0.0028806100000000, 0.0000000000000000 ] - [ 0.0011143300000000, 0.0013797900000000, 0.0000000000000000 ] - [ 0.0021683000000000, -0.0023039800000000, 0.0003204600000000 ] - [ 0.0021683000000000, -0.0023039800000000, -0.0003204600000000 ] - [ 0.0005998500000000, 0.0001444700000000, -0.0060815300000000 ] - [ 0.0005998500000000, 0.0001444700000000, 0.0060815300000000 ] - [ -0.0034173500000000, 0.0006433100000000, 0.0021950200000000 ] - [ -0.0034173500000000, 0.0006433100000000, -0.0021950200000000 ] - [ -0.0002567100000000, 0.0001088900000000, -0.0006244600000000 ] - [ -0.0018285200000000, 0.0058857900000000, 0.0009421100000000 ]- atom: 69 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0132534900000000, -0.0002191300000000, 0.0000000000000000 ] - [ 0.0012308600000000, 0.0002120000000000, 0.0000000000000000 ] - [ 0.0018087600000000, 0.0080228200000000, 0.0000000000000000 ] - [ -0.0004914800000000, 0.0009449800000000, 0.0000000000000000 ] - [ 0.0018764400000000, -0.0092431500000000, 0.0000000000000000 ] - [ -0.0002444000000000, -0.0011442800000000, 0.0000000000000000 ] - [ -0.0003710600000000, 0.0008141500000000, -0.0003360400000000 ] - [ -0.0003710600000000, 0.0008141500000000, 0.0003360400000000 ] - [ 0.0008113600000000, -0.0006082600000000, -0.0001923600000000 ] - [ 0.0008113600000000, -0.0006082600000000, 0.0001923600000000 ] - [ -0.0026692200000000, -0.0013282300000000, 0.0001775200000000 ] - [ -0.0026692200000000, -0.0013282300000000, -0.0001775200000000 ] - [ 0.0036574400000000, 0.0104137300000000, 0.0000000000000000 ] - [ 0.0001492700000000, 0.0006458600000000, 0.0000000000000000 ] - [ 0.0030695900000000, 0.0055213800000000, 0.0000000000000000 ] - [ -0.0002427800000000, -0.0000459400000000, 0.0000000000000000 ] - [ -0.0065571200000000, 0.0011441000000000, 0.0000000000000000 ] - [ 0.0002311000000000, -0.0005071200000000, 0.0000000000000000 ] - [ 0.0008786100000000, 0.0004587100000000, -0.0004041700000000 ] - [ 0.0008786100000000, 0.0004587100000000, 0.0004041700000000 ] - [ 0.0018632400000000, -0.0000062200000000, 0.0008351500000000 ] - [ 0.0018632400000000, -0.0000062200000000, -0.0008351500000000 ] - [ 0.0010583700000000, -0.0005991500000000, 0.0016962300000000 ] - [ 0.0010583700000000, -0.0005991500000000, -0.0016962300000000 ] - [ -0.0026788700000000, 0.0001729100000000, -0.0017966000000000 ] - [ -0.0000697500000000, -0.0005952700000000, -0.0001523800000000 ] - [ 0.0006519900000000, 0.0007507600000000, 0.0007482100000000 ] - [ -0.0006250400000000, 0.0058828200000000, -0.0014386000000000 ] - [ -0.0007469800000000, 0.0000916200000000, 0.0005906700000000 ] - [ -0.0019809700000000, -0.0014870900000000, -0.0000258200000000 ] - [ -0.0019809700000000, -0.0014870900000000, 0.0000258200000000 ] - [ -0.0007469800000000, 0.0000916200000000, -0.0005906700000000 ] - [ -0.0006250400000000, 0.0058828200000000, 0.0014386000000000 ] - [ 0.0006519900000000, 0.0007507600000000, -0.0007482100000000 ] - [ -0.0000697500000000, -0.0005952700000000, 0.0001523800000000 ] - [ -0.0026788700000000, 0.0001729100000000, 0.0017966000000000 ] - [ 0.0006603100000000, 0.0015838500000000, 0.0007017700000000 ] - [ 0.0000782200000000, 0.0013824400000000, 0.0002545400000000 ] - [ -0.0000696400000000, -0.0010454100000000, -0.0002644600000000 ] - [ 0.0013061700000000, -0.0017100800000000, 0.0006668300000000 ] - [ 0.0011844600000000, -0.0006066400000000, 0.0025162200000000 ] - [ -0.0073089400000000, -0.0008448000000000, 0.0080279700000000 ] - [ -0.0073089400000000, -0.0008448000000000, -0.0080279700000000 ] - [ 0.0011844600000000, -0.0006066400000000, -0.0025162200000000 ] - [ 0.0013061700000000, -0.0017100800000000, -0.0006668300000000 ] - [ -0.0000696400000000, -0.0010454100000000, 0.0002644600000000 ] - [ 0.0000782200000000, 0.0013824400000000, -0.0002545400000000 ] - [ 0.0006603100000000, 0.0015838500000000, -0.0007017700000000 ] - [ -0.0016769900000000, -0.0017459800000000, -0.0016030700000000 ] - [ -0.0016769900000000, -0.0017459800000000, 0.0016030700000000 ] - [ -0.0035924700000000, -0.0241623600000000, 0.0000000000000000 ] - [ -0.0002446800000000, -0.0008782700000000, 0.0000000000000000 ] - [ 0.0073922600000000, 0.0120402000000000, 0.0000000000000000 ] - [ 0.0005346300000000, 0.0006062100000000, 0.0000000000000000 ] - [ -0.0015333400000000, -0.0022137400000000, 0.0001444000000000 ] - [ -0.0015333400000000, -0.0022137400000000, -0.0001444000000000 ] - [ -0.0015835000000000, -0.0000055000000000, 0.0004075000000000 ] - [ -0.0015835000000000, -0.0000055000000000, -0.0004075000000000 ] - [ 0.0009453000000000, 0.0059019800000000, -0.0069441500000000 ] - [ 0.0009453000000000, 0.0059019800000000, 0.0069441500000000 ] - [ -0.0391020800000000, -0.0175293400000000, 0.0000000000000000 ] - [ -0.0008684800000000, 0.0001201300000000, 0.0000000000000000 ] - [ -0.0096005100000000, 0.0018664900000000, -0.0046560100000000 ] - [ -0.0009315400000000, 0.0000919300000000, 0.0006241900000000 ] - [ 0.0018662400000000, -0.0058862100000000, 0.0020696600000000 ] - [ 0.0002574900000000, -0.0001051500000000, 0.0005076100000000 ] - [ -0.0009315400000000, 0.0000919300000000, -0.0006241900000000 ] - [ -0.0096005100000000, 0.0018664900000000, 0.0046560100000000 ] - [ 0.0632030000000000, 0.0075732500000000, 0.0000000000000000 ] - [ -0.0009152100000000, -0.0000906700000000, 0.0000000000000000 ] - [ -0.0006734700000000, -0.0030663700000000, 0.0000000000000000 ] - [ 0.0009634600000000, -0.0014474000000000, 0.0000000000000000 ] - [ -0.0057140000000000, 0.0059816900000000, 0.0000000000000000 ] - [ 0.0005642900000000, 0.0016815400000000, 0.0000000000000000 ] - [ 0.0009541200000000, 0.0007555200000000, -0.0003193400000000 ] - [ 0.0009541200000000, 0.0007555200000000, 0.0003193400000000 ] - [ -0.0008140600000000, 0.0033478500000000, 0.0061175200000000 ] - [ -0.0008140600000000, 0.0033478500000000, -0.0061175200000000 ] - [ 0.0005003100000000, -0.0026002300000000, -0.0022062900000000 ] - [ 0.0005003100000000, -0.0026002300000000, 0.0022062900000000 ] - [ 0.0002574900000000, -0.0001051500000000, -0.0005076100000000 ] - [ 0.0018662400000000, -0.0058862100000000, -0.0020696600000000 ]- atom: 69 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0053517300000000, 0.0004951100000000, 0.0000000000000000 ] - [ 0.0011014800000000, 0.0002151900000000, 0.0000000000000000 ] - [ -0.0038149900000000, 0.0067024900000000, 0.0000000000000000 ] - [ -0.0006603800000000, 0.0009837500000000, 0.0000000000000000 ] - [ 0.0087207500000000, -0.0067165300000000, 0.0000000000000000 ] - [ -0.0002520400000000, -0.0010483800000000, 0.0000000000000000 ] - [ -0.0011420100000000, -0.0000716700000000, 0.0000931200000000 ] - [ -0.0011420100000000, -0.0000716700000000, -0.0000931200000000 ] - [ 0.0003880800000000, -0.0015321100000000, 0.0003644200000000 ] - [ 0.0003880800000000, -0.0015321100000000, -0.0003644200000000 ] - [ -0.0004220500000000, 0.0007891500000000, 0.0014576000000000 ] - [ -0.0004220500000000, 0.0007891500000000, -0.0014576000000000 ] - [ -0.0004897800000000, 0.0045240600000000, 0.0000000000000000 ] - [ 0.0000474000000000, 0.0005722700000000, 0.0000000000000000 ] - [ -0.0040887800000000, -0.0011357400000000, 0.0000000000000000 ] - [ -0.0005479700000000, -0.0002425700000000, 0.0000000000000000 ] - [ -0.0008294100000000, 0.0275260200000000, 0.0000000000000000 ] - [ 0.0003918800000000, -0.0004158800000000, 0.0000000000000000 ] - [ -0.0000065200000000, 0.0002351100000000, -0.0000005700000000 ] - [ -0.0000065200000000, 0.0002351100000000, 0.0000005700000000 ] - [ 0.0004880500000000, -0.0001851200000000, 0.0001280200000000 ] - [ 0.0004880500000000, -0.0001851200000000, -0.0001280200000000 ] - [ 0.0006672600000000, 0.0009779500000000, 0.0010695100000000 ] - [ 0.0006672600000000, 0.0009779500000000, -0.0010695100000000 ] - [ -0.0008294700000000, 0.0051064600000000, -0.0009427400000000 ] - [ -0.0000074100000000, -0.0005841100000000, -0.0004778200000000 ] - [ 0.0004560800000000, 0.0005252800000000, 0.0004898900000000 ] - [ -0.0043619900000000, -0.0014548000000000, 0.0010893100000000 ] - [ -0.0006796400000000, 0.0000748400000000, 0.0007015000000000 ] - [ 0.0016403600000000, -0.0063264300000000, -0.0029124400000000 ] - [ 0.0016403600000000, -0.0063264300000000, 0.0029124400000000 ] - [ -0.0006796400000000, 0.0000748400000000, -0.0007015000000000 ] - [ -0.0043619900000000, -0.0014548000000000, -0.0010893100000000 ] - [ 0.0004560800000000, 0.0005252800000000, -0.0004898900000000 ] - [ -0.0000074100000000, -0.0005841100000000, 0.0004778200000000 ] - [ -0.0008294700000000, 0.0051064600000000, 0.0009427400000000 ] - [ 0.0007849000000000, 0.0007626300000000, 0.0006999400000000 ] - [ -0.0001831900000000, 0.0011808100000000, -0.0000369200000000 ] - [ -0.0004932100000000, -0.0010765000000000, -0.0001149200000000 ] - [ -0.0002966700000000, -0.0014314100000000, 0.0000386100000000 ] - [ 0.0012867400000000, 0.0002828600000000, 0.0011517400000000 ] - [ -0.0032908100000000, 0.0034318800000000, 0.0056076800000000 ] - [ -0.0032908100000000, 0.0034318800000000, -0.0056076800000000 ] - [ 0.0012867400000000, 0.0002828600000000, -0.0011517400000000 ] - [ -0.0002966700000000, -0.0014314100000000, -0.0000386100000000 ] - [ -0.0004932100000000, -0.0010765000000000, 0.0001149200000000 ] - [ -0.0001831900000000, 0.0011808100000000, 0.0000369200000000 ] - [ 0.0007849000000000, 0.0007626300000000, -0.0006999400000000 ] - [ 0.0006427200000000, -0.0015299100000000, -0.0027011100000000 ] - [ 0.0006427200000000, -0.0015299100000000, 0.0027011100000000 ] - [ 0.0135918000000000, -0.0034223500000000, 0.0000000000000000 ] - [ 0.0002471600000000, -0.0008292700000000, 0.0000000000000000 ] - [ -0.0132183100000000, 0.0260978900000000, 0.0000000000000000 ] - [ 0.0003971100000000, 0.0004800100000000, 0.0000000000000000 ] - [ -0.0007154500000000, -0.0013469600000000, -0.0001526700000000 ] - [ -0.0007154500000000, -0.0013469600000000, 0.0001526700000000 ] - [ 0.0003818600000000, 0.0010926300000000, 0.0001231100000000 ] - [ 0.0003818600000000, 0.0010926300000000, -0.0001231100000000 ] - [ -0.0014951700000000, 0.0003655600000000, -0.0053564100000000 ] - [ -0.0014951700000000, 0.0003655600000000, 0.0053564100000000 ] - [ -0.0103279100000000, -0.0091631300000000, 0.0000000000000000 ] - [ -0.0006213600000000, 0.0002091400000000, 0.0000000000000000 ] - [ -0.0053279800000000, -0.0022020900000000, -0.0030279800000000 ] - [ -0.0004952800000000, -0.0001777200000000, 0.0005539900000000 ] - [ 0.0063141300000000, 0.0030120100000000, -0.0030571200000000 ] - [ 0.0003923100000000, 0.0002524100000000, 0.0010440700000000 ] - [ -0.0004952800000000, -0.0001777200000000, -0.0005539900000000 ] - [ -0.0053279800000000, -0.0022020900000000, 0.0030279800000000 ] - [ 0.0239679600000000, -0.0564619600000000, 0.0000000000000000 ] - [ -0.0012707500000000, -0.0004249300000000, 0.0000000000000000 ] - [ -0.0025100000000000, 0.0040966000000000, 0.0000000000000000 ] - [ 0.0009542400000000, -0.0011330600000000, 0.0000000000000000 ] - [ -0.0022972900000000, 0.0057812400000000, 0.0000000000000000 ] - [ 0.0005054200000000, 0.0016351200000000, 0.0000000000000000 ] - [ 0.0000491000000000, 0.0014038400000000, -0.0015734400000000 ] - [ 0.0000491000000000, 0.0014038400000000, 0.0015734400000000 ] - [ -0.0012420400000000, 0.0009273500000000, 0.0026816200000000 ] - [ -0.0012420400000000, 0.0009273500000000, -0.0026816200000000 ] - [ 0.0003233500000000, -0.0016644800000000, 0.0024739100000000 ] - [ 0.0003233500000000, -0.0016644800000000, -0.0024739100000000 ] - [ 0.0003923100000000, 0.0002524100000000, -0.0010440700000000 ] - [ 0.0063141300000000, 0.0030120100000000, 0.0030571200000000 ]- atom: 69 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0034995300000000, -0.0001164000000000, 0.0000000000000000 ] - [ 0.0007827800000000, 0.0001673100000000, 0.0000000000000000 ] - [ 0.0025901600000000, -0.0052217000000000, 0.0000000000000000 ] - [ -0.0006137100000000, 0.0004616600000000, 0.0000000000000000 ] - [ -0.0094347900000000, 0.0049572900000000, 0.0000000000000000 ] - [ -0.0003533300000000, -0.0007755600000000, 0.0000000000000000 ] - [ -0.0004227200000000, -0.0000081200000000, -0.0000970700000000 ] - [ -0.0004227200000000, -0.0000081200000000, 0.0000970700000000 ] - [ 0.0004626200000000, 0.0002256300000000, -0.0003683700000000 ] - [ 0.0004626200000000, 0.0002256300000000, 0.0003683700000000 ] - [ 0.0011188200000000, 0.0005659300000000, -0.0014495000000000 ] - [ 0.0011188200000000, 0.0005659300000000, 0.0014495000000000 ] - [ 0.0006736200000000, -0.0037100800000000, 0.0000000000000000 ] - [ 0.0001337000000000, 0.0002688600000000, 0.0000000000000000 ] - [ 0.0032841800000000, 0.0009062700000000, 0.0000000000000000 ] - [ -0.0002734300000000, -0.0000197700000000, 0.0000000000000000 ] - [ 0.0014411900000000, -0.0299088200000000, 0.0000000000000000 ] - [ 0.0002505500000000, -0.0001739100000000, 0.0000000000000000 ] - [ -0.0015354000000000, -0.0000249000000000, 0.0000000700000000 ] - [ -0.0015354000000000, -0.0000249000000000, -0.0000000700000000 ] - [ 0.0001053300000000, -0.0012459800000000, -0.0001251800000000 ] - [ 0.0001053300000000, -0.0012459800000000, 0.0001251800000000 ] - [ 0.0002993000000000, 0.0002238200000000, -0.0010622600000000 ] - [ 0.0002993000000000, 0.0002238200000000, 0.0010622600000000 ] - [ 0.0009246000000000, -0.0069363100000000, -0.0003725000000000 ] - [ 0.0001368000000000, -0.0012328000000000, -0.0008504200000000 ] - [ 0.0010520000000000, 0.0005011700000000, 0.0008383500000000 ] - [ 0.0058394100000000, 0.0025041100000000, 0.0002377700000000 ] - [ -0.0009618200000000, 0.0007144600000000, 0.0006243200000000 ] - [ -0.0032691100000000, 0.0071535900000000, 0.0042552800000000 ] - [ -0.0032691100000000, 0.0071535900000000, -0.0042552800000000 ] - [ -0.0009618200000000, 0.0007144600000000, -0.0006243200000000 ] - [ 0.0058394100000000, 0.0025041100000000, -0.0002377700000000 ] - [ 0.0010520000000000, 0.0005011700000000, -0.0008383500000000 ] - [ 0.0001368000000000, -0.0012328000000000, 0.0008504200000000 ] - [ 0.0009246000000000, -0.0069363100000000, 0.0003725000000000 ] - [ -0.0012395700000000, 0.0019771000000000, -0.0004164800000000 ] - [ -0.0002629300000000, 0.0015583600000000, 0.0003375500000000 ] - [ -0.0016584100000000, -0.0006774600000000, -0.0001832400000000 ] - [ -0.0018526600000000, -0.0003182700000000, -0.0003348200000000 ] - [ 0.0013145400000000, -0.0012711800000000, -0.0014140900000000 ] - [ 0.0058457700000000, -0.0043785100000000, -0.0058678900000000 ] - [ 0.0058457700000000, -0.0043785100000000, 0.0058678900000000 ] - [ 0.0013145400000000, -0.0012711800000000, 0.0014140900000000 ] - [ -0.0018526600000000, -0.0003182700000000, 0.0003348200000000 ] - [ -0.0016584100000000, -0.0006774600000000, 0.0001832400000000 ] - [ -0.0002629300000000, 0.0015583600000000, -0.0003375500000000 ] - [ -0.0012395700000000, 0.0019771000000000, 0.0004164800000000 ] - [ -0.0006469200000000, 0.0015442600000000, 0.0026772600000000 ] - [ -0.0006469200000000, 0.0015442600000000, -0.0026772600000000 ] - [ -0.0138921100000000, 0.0023562800000000, 0.0000000000000000 ] - [ -0.0005641700000000, -0.0000844100000000, 0.0000000000000000 ] - [ 0.0141855200000000, -0.0262379300000000, 0.0000000000000000 ] - [ 0.0005416400000000, -0.0002948800000000, 0.0000000000000000 ] - [ 0.0000736100000000, -0.0007166200000000, 0.0001646300000000 ] - [ 0.0000736100000000, -0.0007166200000000, -0.0001646300000000 ] - [ 0.0017381000000000, -0.0006387900000000, -0.0001180900000000 ] - [ 0.0017381000000000, -0.0006387900000000, 0.0001180900000000 ] - [ 0.0000253400000000, 0.0013190600000000, 0.0052782300000000 ] - [ 0.0000253400000000, 0.0013190600000000, -0.0052782300000000 ] - [ 0.0098068900000000, 0.0099040900000000, 0.0000000000000000 ] - [ -0.0000086700000000, 0.0005205700000000, 0.0000000000000000 ] - [ 0.0053327400000000, 0.0022463600000000, 0.0035797500000000 ] - [ 0.0004905700000000, 0.0001787000000000, -0.0000229200000000 ] - [ -0.0063496600000000, -0.0030161000000000, 0.0042178900000000 ] - [ -0.0003931700000000, -0.0002489300000000, 0.0000920000000000 ] - [ 0.0004905700000000, 0.0001787000000000, 0.0000229200000000 ] - [ 0.0053327400000000, 0.0022463600000000, -0.0035797500000000 ] - [ -0.0272577000000000, 0.0582873200000000, 0.0000000000000000 ] - [ -0.0022034700000000, 0.0003440400000000, 0.0000000000000000 ] - [ 0.0043619000000000, -0.0070542200000000, 0.0000000000000000 ] - [ 0.0008584300000000, -0.0018405900000000, 0.0000000000000000 ] - [ 0.0039226700000000, -0.0027434100000000, 0.0000000000000000 ] - [ 0.0011651600000000, 0.0014242700000000, 0.0000000000000000 ] - [ 0.0030579300000000, -0.0029264200000000, 0.0015911000000000 ] - [ 0.0030579300000000, -0.0029264200000000, -0.0015911000000000 ] - [ 0.0010129000000000, 0.0025080700000000, -0.0026892500000000 ] - [ 0.0010129000000000, 0.0025080700000000, 0.0026892500000000 ] - [ -0.0031867500000000, -0.0002883700000000, -0.0024813200000000 ] - [ -0.0031867500000000, -0.0002883700000000, 0.0024813200000000 ] - [ -0.0003931700000000, -0.0002489300000000, -0.0000920000000000 ] - [ -0.0063496600000000, -0.0030161000000000, -0.0042178900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008956000000000, 0.0002024100000000, 0.0066341800000000 ] - [ 0.0009152500000000, 0.0001984100000000, -0.0019692400000000 ] - [ -0.0006102600000000, 0.0007056900000000, 0.0078054600000000 ] - [ -0.0006318700000000, 0.0006901900000000, -0.0024628500000000 ] - [ -0.0002588000000000, -0.0008971500000000, 0.0042347700000000 ] - [ -0.0002821400000000, -0.0008884900000000, -0.0022390200000000 ] - [ -0.0002967500000000, 0.0002870900000000, -0.0003082400000000 ] - [ -0.0012873600000000, -0.0003551100000000, -0.0003234700000000 ] - [ 0.0000732200000000, -0.0007509700000000, -0.0002008800000000 ] - [ 0.0007765500000000, -0.0005822200000000, -0.0002160600000000 ] - [ 0.0036387000000000, 0.0069623400000000, -0.0051956800000000 ] - [ -0.0028841700000000, -0.0055032800000000, -0.0051586400000000 ] - [ 0.0000917900000000, 0.0003847300000000, 0.0060555400000000 ] - [ 0.0000974400000000, 0.0003973600000000, -0.0018643200000000 ] - [ -0.0003895800000000, -0.0001040400000000, 0.0028481200000000 ] - [ -0.0003918200000000, -0.0001146100000000, -0.0018891400000000 ] - [ 0.0003149100000000, -0.0002481300000000, 0.0082594700000000 ] - [ 0.0002941000000000, -0.0002813800000000, -0.0024484700000000 ] - [ -0.0006997000000000, 0.0007141000000000, -0.0005078100000000 ] - [ -0.0008494600000000, -0.0004755600000000, -0.0005219700000000 ] - [ -0.0023929800000000, -0.0019361200000000, -0.0009637000000000 ] - [ 0.0029338700000000, 0.0004754600000000, -0.0009687700000000 ] - [ -0.0047468100000000, 0.0052906900000000, -0.0045524300000000 ] - [ 0.0056720800000000, -0.0040478200000000, -0.0045293600000000 ] - [ 0.0031145500000000, 0.0005515000000000, 0.0145060000000000 ] - [ -0.0007439600000000, -0.0013932100000000, -0.0039846700000000 ] - [ -0.0001616100000000, 0.0003603100000000, -0.0026356800000000 ] - [ 0.0037855000000000, 0.0030493300000000, 0.0058057400000000 ] - [ -0.0006389000000000, -0.0000169800000000, -0.0022007800000000 ] - [ -0.0013659800000000, 0.0012280400000000, 0.0039542300000000 ] - [ -0.0002508100000000, -0.0005043600000000, 0.0027167200000000 ] - [ -0.0009998800000000, 0.0007701200000000, -0.0034738100000000 ] - [ -0.0023222000000000, -0.0020027100000000, 0.0045695300000000 ] - [ 0.0016301700000000, 0.0006760200000000, -0.0039084500000000 ] - [ 0.0009153500000000, -0.0003989600000000, -0.0027131200000000 ] - [ -0.0032243000000000, -0.0024129700000000, 0.0155909400000000 ] - [ -0.0004717500000000, 0.0015482900000000, 0.0015446400000000 ] - [ 0.0001061100000000, 0.0011378700000000, -0.0014276500000000 ] - [ -0.0015403900000000, -0.0010800600000000, -0.0020141000000000 ] - [ -0.0011112600000000, -0.0003463400000000, 0.0010907500000000 ] - [ 0.0008728500000000, -0.0009184800000000, -0.0097420800000000 ] - [ -0.0056074000000000, -0.0017332100000000, 0.0218392100000000 ] - [ 0.0088659300000000, 0.0007239300000000, 0.0239227100000000 ] - [ 0.0017128600000000, -0.0000550700000000, -0.0094259700000000 ] - [ -0.0010408600000000, -0.0014156700000000, 0.0014326000000000 ] - [ -0.0006047400000000, -0.0006869300000000, -0.0017093800000000 ] - [ -0.0005712000000000, 0.0015973700000000, -0.0017287800000000 ] - [ 0.0000139200000000, 0.0011905900000000, 0.0012091300000000 ] - [ 0.0022548300000000, -0.0029852100000000, -0.0028986200000000 ] - [ -0.0022275500000000, 0.0029648900000000, -0.0028908600000000 ] - [ -0.0001648400000000, -0.0005164500000000, -0.0126524100000000 ] - [ -0.0001561900000000, -0.0004582600000000, 0.0047436800000000 ] - [ 0.0004177000000000, 0.0001447700000000, -0.0066549300000000 ] - [ 0.0004777600000000, 0.0000899000000000, 0.0048115800000000 ] - [ -0.0008248400000000, -0.0019296600000000, 0.0002960700000000 ] - [ 0.0001793500000000, -0.0001559000000000, 0.0003234300000000 ] - [ 0.0034427700000000, 0.0011172000000000, 0.0003129400000000 ] - [ -0.0012803400000000, -0.0006385100000000, 0.0003441500000000 ] - [ 0.0026816800000000, -0.0129144600000000, 0.0272996100000000 ] - [ -0.0040534700000000, 0.0144338000000000, 0.0270268600000000 ] - [ -0.0002265900000000, 0.0003975500000000, -0.0290812600000000 ] - [ -0.0003225000000000, 0.0003644500000000, 0.0047461400000000 ] - [ 0.0072687000000000, -0.0006452600000000, -0.0032702900000000 ] - [ -0.0017666100000000, -0.0002106400000000, 0.0040899800000000 ] - [ -0.0013811300000000, -0.0047422600000000, -0.0024376800000000 ] - [ 0.0007550000000000, 0.0011720700000000, 0.0043273200000000 ] - [ 0.0017817500000000, 0.0002113900000000, 0.0035622000000000 ] - [ -0.0072248700000000, 0.0006449900000000, -0.0037387600000000 ] - [ -0.0022913400000000, 0.0000485200000000, -0.0942187500000000 ] - [ -0.0017437800000000, -0.0000276300000000, 0.0067866100000000 ] - [ 0.0008966800000000, -0.0014979600000000, -0.0044172100000000 ] - [ 0.0008957100000000, -0.0014937100000000, 0.0034462600000000 ] - [ 0.0008502400000000, 0.0015229500000000, -0.0044177000000000 ] - [ 0.0008482500000000, 0.0015241900000000, 0.0034464800000000 ] - [ 0.0013230800000000, -0.0008878100000000, 0.0000470900000000 ] - [ 0.0018022500000000, -0.0006647500000000, 0.0000684000000000 ] - [ -0.0048804300000000, 0.0017761600000000, 0.0041707400000000 ] - [ 0.0046029800000000, 0.0016946800000000, 0.0041812800000000 ] - [ 0.0006278900000000, 0.0055737200000000, 0.0051171600000000 ] - [ -0.0035121500000000, -0.0074521800000000, 0.0050952000000000 ] - [ -0.0007659400000000, -0.0011828800000000, 0.0031992000000000 ] - [ 0.0013721500000000, 0.0047303100000000, -0.0034991300000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0010263600000000, -0.0009080900000000, 0.0003674200000000 ] - [ 0.0010263600000000, -0.0009080900000000, -0.0003674200000000 ] - [ -0.0013013300000000, 0.0011740200000000, 0.0002704100000000 ] - [ -0.0013013300000000, 0.0011740200000000, -0.0002704100000000 ] - [ 0.0025531400000000, 0.0012961800000000, -0.0004072600000000 ] - [ 0.0025531400000000, 0.0012961800000000, 0.0004072600000000 ] - [ -0.0098724200000000, 0.0005365200000000, 0.0000000000000000 ] - [ -0.0010918100000000, -0.0000535600000000, 0.0000000000000000 ] - [ -0.0081914900000000, -0.0064272700000000, 0.0000000000000000 ] - [ 0.0001463400000000, -0.0007608800000000, 0.0000000000000000 ] - [ -0.0019150800000000, 0.0057338200000000, 0.0000000000000000 ] - [ 0.0002656600000000, 0.0008777700000000, 0.0000000000000000 ] - [ -0.0012779200000000, 0.0000331000000000, 0.0006907900000000 ] - [ -0.0012779200000000, 0.0000331000000000, -0.0006907900000000 ] - [ -0.0024744700000000, -0.0006022300000000, -0.0003518000000000 ] - [ -0.0024744700000000, -0.0006022300000000, 0.0003518000000000 ] - [ -0.0006948000000000, 0.0012929200000000, -0.0013861000000000 ] - [ -0.0006948000000000, 0.0012929200000000, 0.0013861000000000 ] - [ -0.0017160000000000, -0.0073425300000000, 0.0000000000000000 ] - [ -0.0007935700000000, -0.0002060900000000, 0.0000000000000000 ] - [ -0.0025612800000000, -0.0043775700000000, 0.0000000000000000 ] - [ 0.0000278100000000, -0.0007935400000000, 0.0000000000000000 ] - [ 0.0032139000000000, 0.0049995300000000, 0.0000000000000000 ] - [ 0.0006034100000000, 0.0008012100000000, 0.0000000000000000 ] - [ -0.0002407300000000, -0.0004953600000000, 0.0000802000000000 ] - [ -0.0001851200000000, -0.0011084500000000, -0.0011340200000000 ] - [ -0.0020387500000000, 0.0014669300000000, -0.0011237800000000 ] - [ -0.0001693900000000, 0.0008803100000000, 0.0012743600000000 ] - [ 0.0062863600000000, 0.0001519200000000, -0.0040288100000000 ] - [ -0.0008202600000000, 0.0006641000000000, -0.0025852000000000 ] - [ 0.0062863600000000, 0.0001519200000000, 0.0040288100000000 ] - [ -0.0008202600000000, 0.0006641000000000, 0.0025852000000000 ] - [ -0.0020387500000000, 0.0014669300000000, 0.0011237800000000 ] - [ -0.0001693900000000, 0.0008803100000000, -0.0012743600000000 ] - [ -0.0002407300000000, -0.0004953600000000, -0.0000802000000000 ] - [ -0.0001851200000000, -0.0011084500000000, 0.0011340200000000 ] - [ 0.0023882500000000, -0.0015897000000000, 0.0022237000000000 ] - [ 0.0000252600000000, 0.0011008200000000, -0.0005320300000000 ] - [ -0.0008420000000000, -0.0058035300000000, 0.0015194400000000 ] - [ -0.0011978000000000, -0.0011559300000000, -0.0004728700000000 ] - [ 0.0006486400000000, 0.0023079300000000, 0.0009776400000000 ] - [ 0.0012853000000000, -0.0002768600000000, -0.0001120400000000 ] - [ 0.0006486400000000, 0.0023079300000000, -0.0009776400000000 ] - [ 0.0012853000000000, -0.0002768600000000, 0.0001120400000000 ] - [ -0.0008420000000000, -0.0058035300000000, -0.0015194400000000 ] - [ -0.0011978000000000, -0.0011559300000000, 0.0004728700000000 ] - [ 0.0023882500000000, -0.0015897000000000, -0.0022237000000000 ] - [ 0.0000252600000000, 0.0011008200000000, 0.0005320300000000 ] - [ 0.0213189600000000, -0.0228543900000000, 0.0000000000000000 ] - [ 0.0003602600000000, -0.0001985700000000, 0.0000000000000000 ] - [ 0.0031551300000000, -0.0009295400000000, -0.0015388600000000 ] - [ 0.0031551300000000, -0.0009295400000000, 0.0015388600000000 ] - [ -0.0004086200000000, -0.0057780500000000, 0.0068604900000000 ] - [ -0.0004086200000000, -0.0057780500000000, -0.0068604900000000 ] - [ 0.0270659700000000, 0.0168482200000000, 0.0000000000000000 ] - [ 0.0001811200000000, -0.0007381600000000, 0.0000000000000000 ] - [ 0.0068021200000000, 0.0179469100000000, 0.0000000000000000 ] - [ 0.0015021600000000, 0.0004330300000000, 0.0000000000000000 ] - [ 0.0005690300000000, -0.0098721200000000, 0.0000000000000000 ] - [ -0.0007213400000000, 0.0004362400000000, 0.0000000000000000 ] - [ -0.0001102000000000, 0.0015008300000000, -0.0012399100000000 ] - [ -0.0001102000000000, 0.0015008300000000, 0.0012399100000000 ] - [ -0.0027584800000000, 0.0040973500000000, 0.0000652700000000 ] - [ -0.0002764400000000, 0.0000490800000000, 0.0003357100000000 ] - [ 0.0074092200000000, -0.0022386500000000, 0.0035352100000000 ] - [ 0.0010271100000000, -0.0001324400000000, 0.0003868100000000 ] - [ -0.0027584800000000, 0.0040973500000000, -0.0000652700000000 ] - [ -0.0002764400000000, 0.0000490800000000, -0.0003357100000000 ] - [ -0.0011399100000000, -0.0014204900000000, -0.0002393100000000 ] - [ -0.0011399100000000, -0.0014204900000000, 0.0002393100000000 ] - [ 0.0016051500000000, -0.0015763200000000, -0.0066863100000000 ] - [ 0.0016051500000000, -0.0015763200000000, 0.0066863100000000 ] - [ 0.0007322500000000, 0.0036173900000000, 0.0024034000000000 ] - [ 0.0007322500000000, 0.0036173900000000, -0.0024034000000000 ] - [ -0.0652906700000000, 0.0214675400000000, 0.0000000000000000 ] - [ 0.0007093800000000, -0.0006783400000000, 0.0000000000000000 ] - [ -0.0033689200000000, 0.0005445500000000, 0.0000000000000000 ] - [ -0.0001992800000000, 0.0019594200000000, 0.0000000000000000 ] - [ 0.0100243300000000, -0.0082946100000000, 0.0000000000000000 ] - [ -0.0014805200000000, -0.0012215700000000, 0.0000000000000000 ] - [ 0.0074092200000000, -0.0022386500000000, -0.0035352100000000 ] - [ 0.0010271100000000, -0.0001324400000000, -0.0003868100000000 ]- atom: 75 displacement: [ -0.0100000000000000, -0.0000000000105941, 0.0000000000000000 ] forces: - [ 0.0007927100000000, 0.0013084200000000, -0.0003647100000000 ] - [ 0.0007927100000000, 0.0013084200000000, 0.0003647100000000 ] - [ 0.0000426800000000, 0.0002057100000000, -0.0002667400000000 ] - [ 0.0000426800000000, 0.0002057100000000, 0.0002667400000000 ] - [ -0.0030986000000000, -0.0030571500000000, 0.0004022400000000 ] - [ -0.0030986000000000, -0.0030571500000000, -0.0004022400000000 ] - [ 0.0083129200000000, -0.0006299400000000, 0.0000000000000000 ] - [ -0.0004783400000000, -0.0000190700000000, 0.0000000000000000 ] - [ 0.0090393200000000, 0.0051660200000000, 0.0000000000000000 ] - [ 0.0006988800000000, -0.0005585300000000, 0.0000000000000000 ] - [ 0.0026201900000000, -0.0044108800000000, 0.0000000000000000 ] - [ 0.0004437800000000, 0.0005099500000000, 0.0000000000000000 ] - [ 0.0014729700000000, 0.0007423500000000, -0.0006873600000000 ] - [ 0.0014729700000000, 0.0007423500000000, 0.0006873600000000 ] - [ 0.0016988700000000, 0.0003811700000000, 0.0003614000000000 ] - [ 0.0016988700000000, 0.0003811700000000, -0.0003614000000000 ] - [ 0.0012644000000000, -0.0018438500000000, 0.0013829500000000 ] - [ 0.0012644000000000, -0.0018438500000000, -0.0013829500000000 ] - [ 0.0001539400000000, 0.0075506600000000, 0.0000000000000000 ] - [ -0.0007542400000000, 0.0004307100000000, 0.0000000000000000 ] - [ 0.0031510400000000, 0.0029640600000000, 0.0000000000000000 ] - [ 0.0005498600000000, -0.0006536100000000, 0.0000000000000000 ] - [ -0.0022990900000000, -0.0038273100000000, 0.0000000000000000 ] - [ 0.0003525100000000, 0.0004330300000000, 0.0000000000000000 ] - [ 0.0004080100000000, -0.0013017200000000, -0.0013497200000000 ] - [ 0.0003518600000000, -0.0006836800000000, -0.0001385500000000 ] - [ 0.0035015600000000, -0.0004164200000000, 0.0023806900000000 ] - [ 0.0016355500000000, 0.0001638400000000, 0.0000024200000000 ] - [ -0.0079574300000000, 0.0006259000000000, 0.0054787100000000 ] - [ -0.0008178200000000, 0.0000838500000000, 0.0038299100000000 ] - [ -0.0079574300000000, 0.0006259000000000, -0.0054787100000000 ] - [ -0.0008178200000000, 0.0000838500000000, -0.0038299100000000 ] - [ 0.0035015600000000, -0.0004164200000000, -0.0023806900000000 ] - [ 0.0016355500000000, 0.0001638400000000, -0.0000024200000000 ] - [ 0.0004080100000000, -0.0013017200000000, 0.0013497200000000 ] - [ 0.0003518600000000, -0.0006836800000000, 0.0001385500000000 ] - [ -0.0024377600000000, 0.0045099200000000, -0.0020734900000000 ] - [ -0.0004756600000000, 0.0016393800000000, 0.0008475000000000 ] - [ -0.0013254100000000, 0.0040730000000000, -0.0018603100000000 ] - [ -0.0009529300000000, -0.0006068600000000, 0.0001536200000000 ] - [ 0.0019361300000000, -0.0032775300000000, -0.0012893900000000 ] - [ 0.0013156700000000, -0.0006970100000000, -0.0002025700000000 ] - [ 0.0019361300000000, -0.0032775300000000, 0.0012893900000000 ] - [ 0.0013156700000000, -0.0006970100000000, 0.0002025700000000 ] - [ -0.0013254100000000, 0.0040730000000000, 0.0018603100000000 ] - [ -0.0009529300000000, -0.0006068600000000, -0.0001536200000000 ] - [ -0.0024377600000000, 0.0045099200000000, 0.0020734900000000 ] - [ -0.0004756600000000, 0.0016393800000000, -0.0008475000000000 ] - [ -0.0211600400000000, 0.0222019100000000, 0.0000000000000000 ] - [ -0.0003554000000000, 0.0002022000000000, 0.0000000000000000 ] - [ -0.0034667700000000, 0.0000021800000000, 0.0015226000000000 ] - [ -0.0034667700000000, 0.0000021800000000, -0.0015226000000000 ] - [ 0.0013625800000000, 0.0059217400000000, -0.0068265500000000 ] - [ 0.0013625800000000, 0.0059217400000000, 0.0068265500000000 ] - [ -0.0274754300000000, -0.0186761900000000, 0.0000000000000000 ] - [ -0.0008365100000000, -0.0013435100000000, 0.0000000000000000 ] - [ -0.0046994900000000, -0.0176646500000000, 0.0000000000000000 ] - [ 0.0006391900000000, 0.0000341100000000, 0.0000000000000000 ] - [ -0.0019082300000000, 0.0115113500000000, 0.0000000000000000 ] - [ -0.0007345400000000, 0.0011682600000000, 0.0000000000000000 ] - [ -0.0005259800000000, -0.0007626100000000, 0.0012376800000000 ] - [ -0.0005259800000000, -0.0007626100000000, -0.0012376800000000 ] - [ 0.0027390800000000, -0.0041141000000000, 0.0004622900000000 ] - [ 0.0002766900000000, -0.0000530100000000, 0.0001916400000000 ] - [ -0.0074416000000000, 0.0022601100000000, -0.0024590300000000 ] - [ -0.0010237500000000, 0.0001337400000000, 0.0007441900000000 ] - [ 0.0027390800000000, -0.0041141000000000, -0.0004622900000000 ] - [ 0.0002766900000000, -0.0000530100000000, -0.0001916400000000 ] - [ -0.0023458600000000, 0.0013600200000000, 0.0002401500000000 ] - [ -0.0023458600000000, 0.0013600200000000, -0.0002401500000000 ] - [ 0.0001814500000000, -0.0014088500000000, 0.0066644400000000 ] - [ 0.0001814500000000, -0.0014088500000000, -0.0066644400000000 ] - [ 0.0009774200000000, -0.0005514500000000, -0.0024076300000000 ] - [ 0.0009774200000000, -0.0005514500000000, 0.0024076300000000 ] - [ 0.0673215800000000, -0.0228332800000000, 0.0000000000000000 ] - [ 0.0024071800000000, -0.0008647000000000, 0.0000000000000000 ] - [ 0.0031537700000000, 0.0029664800000000, 0.0000000000000000 ] - [ -0.0000285300000000, 0.0015126600000000, 0.0000000000000000 ] - [ -0.0128709400000000, 0.0062666200000000, 0.0000000000000000 ] - [ -0.0014195500000000, -0.0007105000000000, 0.0000000000000000 ] - [ -0.0074416000000000, 0.0022601100000000, 0.0024590300000000 ] - [ -0.0010237500000000, 0.0001337400000000, -0.0007441900000000 ]- atom: 75 displacement: [ -0.0050000000209400, 0.0086602540257546, 0.0000000000000000 ] forces: - [ -0.0000057800000000, 0.0000605900000000, -0.0002831400000000 ] - [ -0.0000057800000000, 0.0000605900000000, 0.0002831400000000 ] - [ -0.0002802500000000, -0.0004859200000000, -0.0001113600000000 ] - [ -0.0002802500000000, -0.0004859200000000, 0.0001113600000000 ] - [ -0.0010704800000000, -0.0015892000000000, 0.0016703500000000 ] - [ -0.0010704800000000, -0.0015892000000000, -0.0016703500000000 ] - [ 0.0000728100000000, 0.0006813700000000, 0.0000000000000000 ] - [ -0.0008077200000000, 0.0000009600000000, 0.0000000000000000 ] - [ 0.0019760300000000, 0.0060735200000000, 0.0000000000000000 ] - [ 0.0005670000000000, -0.0004353800000000, 0.0000000000000000 ] - [ 0.0075517600000000, -0.0039551100000000, 0.0000000000000000 ] - [ 0.0005316000000000, 0.0005771600000000, 0.0000000000000000 ] - [ 0.0003209600000000, -0.0002253600000000, -0.0002629200000000 ] - [ 0.0003209600000000, -0.0002253600000000, 0.0002629200000000 ] - [ 0.0007474800000000, 0.0005541700000000, -0.0002759700000000 ] - [ 0.0007474800000000, 0.0005541700000000, 0.0002759700000000 ] - [ 0.0011401400000000, -0.0007417300000000, 0.0009529600000000 ] - [ 0.0011401400000000, -0.0007417300000000, -0.0009529600000000 ] - [ -0.0034438900000000, 0.0000433700000000, 0.0000000000000000 ] - [ -0.0009103800000000, 0.0001043700000000, 0.0000000000000000 ] - [ -0.0007213800000000, -0.0019033700000000, 0.0000000000000000 ] - [ 0.0003023700000000, -0.0008227400000000, 0.0000000000000000 ] - [ 0.0015898900000000, 0.0057465600000000, 0.0000000000000000 ] - [ 0.0005124000000000, 0.0004207200000000, 0.0000000000000000 ] - [ 0.0001453300000000, -0.0031726000000000, -0.0025010100000000 ] - [ 0.0001315600000000, -0.0010458000000000, 0.0000417100000000 ] - [ 0.0031280100000000, 0.0005997000000000, 0.0029286200000000 ] - [ 0.0011147800000000, 0.0003911800000000, -0.0001502600000000 ] - [ -0.0044530100000000, 0.0052788300000000, 0.0016715500000000 ] - [ -0.0006116800000000, 0.0009471800000000, 0.0031398000000000 ] - [ -0.0044530100000000, 0.0052788300000000, -0.0016715500000000 ] - [ -0.0006116800000000, 0.0009471800000000, -0.0031398000000000 ] - [ 0.0031280100000000, 0.0005997000000000, -0.0029286200000000 ] - [ 0.0011147800000000, 0.0003911800000000, 0.0001502600000000 ] - [ 0.0001453300000000, -0.0031726000000000, 0.0025010100000000 ] - [ 0.0001315600000000, -0.0010458000000000, -0.0000417100000000 ] - [ -0.0033162700000000, 0.0072994300000000, 0.0000716900000000 ] - [ -0.0005102300000000, 0.0014625600000000, 0.0002419100000000 ] - [ -0.0066120700000000, -0.0007781900000000, 0.0007926200000000 ] - [ -0.0011589900000000, -0.0007900400000000, -0.0002994300000000 ] - [ 0.0055787100000000, -0.0086136600000000, -0.0039373600000000 ] - [ 0.0013871600000000, -0.0007613500000000, -0.0001631500000000 ] - [ 0.0055787100000000, -0.0086136600000000, 0.0039373600000000 ] - [ 0.0013871600000000, -0.0007613500000000, 0.0001631500000000 ] - [ -0.0066120700000000, -0.0007781900000000, -0.0007926200000000 ] - [ -0.0011589900000000, -0.0007900400000000, 0.0002994300000000 ] - [ -0.0033162700000000, 0.0072994300000000, -0.0000716900000000 ] - [ -0.0005102300000000, 0.0014625600000000, -0.0002419100000000 ] - [ -0.0267174400000000, 0.0473733100000000, 0.0000000000000000 ] - [ -0.0001985400000000, 0.0002939400000000, 0.0000000000000000 ] - [ -0.0022191200000000, 0.0008211000000000, 0.0022369600000000 ] - [ -0.0022191200000000, 0.0008211000000000, -0.0022369600000000 ] - [ -0.0011637100000000, 0.0021659300000000, -0.0069485300000000 ] - [ -0.0011637100000000, 0.0021659300000000, 0.0069485300000000 ] - [ 0.0012340300000000, -0.0048635400000000, 0.0000000000000000 ] - [ -0.0002014900000000, -0.0009938500000000, 0.0000000000000000 ] - [ 0.0103739900000000, -0.0079298300000000, 0.0000000000000000 ] - [ 0.0011613600000000, -0.0001019300000000, 0.0000000000000000 ] - [ -0.0182557800000000, 0.0244109800000000, 0.0000000000000000 ] - [ -0.0009723300000000, 0.0011598400000000, 0.0000000000000000 ] - [ 0.0009225000000000, 0.0010956400000000, 0.0019690800000000 ] - [ 0.0009225000000000, 0.0010956400000000, -0.0019690800000000 ] - [ 0.0051543100000000, 0.0045318800000000, -0.0029653000000000 ] - [ 0.0004087300000000, 0.0004985400000000, 0.0005439200000000 ] - [ -0.0049756000000000, -0.0007801100000000, -0.0022240000000000 ] - [ -0.0007476800000000, -0.0001113300000000, 0.0006815100000000 ] - [ 0.0051543100000000, 0.0045318800000000, 0.0029653000000000 ] - [ 0.0004087300000000, 0.0004985400000000, -0.0005439200000000 ] - [ -0.0033606800000000, 0.0020616900000000, 0.0000084200000000 ] - [ -0.0033606800000000, 0.0020616900000000, -0.0000084200000000 ] - [ 0.0010841400000000, -0.0036222900000000, 0.0020767300000000 ] - [ 0.0010841400000000, -0.0036222900000000, -0.0020767300000000 ] - [ 0.0020916000000000, -0.0003806500000000, 0.0023338300000000 ] - [ 0.0020916000000000, -0.0003806500000000, -0.0023338300000000 ] - [ 0.0530484100000000, -0.0975351900000000, 0.0000000000000000 ] - [ 0.0020606700000000, -0.0011694200000000, 0.0000000000000000 ] - [ 0.0043131500000000, 0.0174499400000000, 0.0000000000000000 ] - [ -0.0000856800000000, 0.0017173600000000, 0.0000000000000000 ] - [ -0.0172727200000000, 0.0051080300000000, 0.0000000000000000 ] - [ -0.0014478100000000, -0.0007914500000000, 0.0000000000000000 ] - [ -0.0049756000000000, -0.0007801100000000, 0.0022240000000000 ] - [ -0.0007476800000000, -0.0001113300000000, -0.0006815100000000 ]- atom: 75 displacement: [ 0.0050000000209400, -0.0086602540257546, 0.0000000000000000 ] forces: - [ 0.0018289700000000, 0.0003453000000000, 0.0002882400000000 ] - [ 0.0018289700000000, 0.0003453000000000, -0.0002882400000000 ] - [ -0.0009834400000000, 0.0018537300000000, 0.0001202400000000 ] - [ -0.0009834400000000, 0.0018537300000000, -0.0001202400000000 ] - [ 0.0005236100000000, -0.0001487000000000, -0.0016765900000000 ] - [ 0.0005236100000000, -0.0001487000000000, 0.0016765900000000 ] - [ -0.0015962900000000, -0.0007598300000000, 0.0000000000000000 ] - [ -0.0007644500000000, -0.0000745600000000, 0.0000000000000000 ] - [ -0.0011826200000000, -0.0074101300000000, 0.0000000000000000 ] - [ 0.0002807500000000, -0.0008897300000000, 0.0000000000000000 ] - [ -0.0067566000000000, 0.0053173000000000, 0.0000000000000000 ] - [ 0.0001822700000000, 0.0008183200000000, 0.0000000000000000 ] - [ -0.0001175700000000, 0.0010192300000000, 0.0002644700000000 ] - [ -0.0001175700000000, 0.0010192300000000, -0.0002644700000000 ] - [ -0.0015364000000000, -0.0007804700000000, 0.0002810600000000 ] - [ -0.0015364000000000, -0.0007804700000000, -0.0002810600000000 ] - [ -0.0005782700000000, 0.0002070500000000, -0.0009558700000000 ] - [ -0.0005782700000000, 0.0002070500000000, 0.0009558700000000 ] - [ 0.0018979500000000, 0.0002302700000000, 0.0000000000000000 ] - [ -0.0006395600000000, 0.0001176700000000, 0.0000000000000000 ] - [ 0.0012809900000000, 0.0004377800000000, 0.0000000000000000 ] - [ 0.0002757900000000, -0.0006285100000000, 0.0000000000000000 ] - [ -0.0007225500000000, -0.0035412200000000, 0.0000000000000000 ] - [ 0.0004404000000000, 0.0008193200000000, 0.0000000000000000 ] - [ 0.0000359200000000, 0.0013986100000000, 0.0012586100000000 ] - [ 0.0000379900000000, -0.0007421300000000, -0.0013237800000000 ] - [ -0.0016792200000000, 0.0004327600000000, -0.0016815300000000 ] - [ 0.0003523000000000, 0.0006473700000000, 0.0014304900000000 ] - [ 0.0028015800000000, -0.0045427700000000, -0.0003389200000000 ] - [ -0.0010281400000000, -0.0001956000000000, -0.0019114500000000 ] - [ 0.0028015800000000, -0.0045427700000000, 0.0003389200000000 ] - [ -0.0010281400000000, -0.0001956000000000, 0.0019114500000000 ] - [ -0.0016792200000000, 0.0004327600000000, 0.0016815300000000 ] - [ 0.0003523000000000, 0.0006473700000000, -0.0014304900000000 ] - [ 0.0000359200000000, 0.0013986100000000, -0.0012586100000000 ] - [ 0.0000379900000000, -0.0007421300000000, 0.0013237800000000 ] - [ 0.0028948400000000, -0.0045619200000000, 0.0002374800000000 ] - [ 0.0000599200000000, 0.0012795300000000, 0.0000826000000000 ] - [ 0.0045002400000000, -0.0010043900000000, -0.0011235300000000 ] - [ -0.0009905900000000, -0.0009752900000000, -0.0000243300000000 ] - [ -0.0029807100000000, 0.0076165800000000, 0.0035973600000000 ] - [ 0.0012125900000000, -0.0002113200000000, -0.0001512100000000 ] - [ -0.0029807100000000, 0.0076165800000000, -0.0035973600000000 ] - [ 0.0012125900000000, -0.0002113200000000, 0.0001512100000000 ] - [ 0.0045002400000000, -0.0010043900000000, 0.0011235300000000 ] - [ -0.0009905900000000, -0.0009752900000000, 0.0000243300000000 ] - [ 0.0028948400000000, -0.0045619200000000, -0.0002374800000000 ] - [ 0.0000599200000000, 0.0012795300000000, -0.0000826000000000 ] - [ 0.0284662900000000, -0.0505332000000000, 0.0000000000000000 ] - [ 0.0002040300000000, -0.0002940000000000, 0.0000000000000000 ] - [ 0.0019170500000000, -0.0017356300000000, -0.0022612400000000 ] - [ 0.0019170500000000, -0.0017356300000000, 0.0022612400000000 ] - [ 0.0021292500000000, -0.0020805500000000, 0.0070010700000000 ] - [ 0.0021292500000000, -0.0020805500000000, -0.0070010700000000 ] - [ -0.0020466700000000, 0.0026884500000000, 0.0000000000000000 ] - [ -0.0004645700000000, -0.0010903400000000, 0.0000000000000000 ] - [ -0.0082075100000000, 0.0085045500000000, 0.0000000000000000 ] - [ 0.0009831700000000, 0.0005659800000000, 0.0000000000000000 ] - [ 0.0167517800000000, -0.0225729600000000, 0.0000000000000000 ] - [ -0.0004798100000000, 0.0004418300000000, 0.0000000000000000 ] - [ -0.0015806500000000, -0.0003797500000000, -0.0019930600000000 ] - [ -0.0015806500000000, -0.0003797500000000, 0.0019930600000000 ] - [ -0.0051150000000000, -0.0045349300000000, 0.0034681000000000 ] - [ -0.0004073800000000, -0.0005044300000000, -0.0000120100000000 ] - [ 0.0049616600000000, 0.0007488800000000, 0.0033297300000000 ] - [ 0.0007519000000000, 0.0001110300000000, 0.0004477500000000 ] - [ -0.0051150000000000, -0.0045349300000000, -0.0034681000000000 ] - [ -0.0004073800000000, -0.0005044300000000, 0.0000120100000000 ] - [ -0.0001203200000000, -0.0021323300000000, -0.0000367300000000 ] - [ -0.0001203200000000, -0.0021323300000000, 0.0000367300000000 ] - [ 0.0006913400000000, 0.0006571100000000, -0.0020607500000000 ] - [ 0.0006913400000000, 0.0006571100000000, 0.0020607500000000 ] - [ -0.0004031800000000, 0.0034645600000000, -0.0023369000000000 ] - [ -0.0004031800000000, 0.0034645600000000, 0.0023369000000000 ] - [ -0.0516510000000000, 0.0983204800000000, 0.0000000000000000 ] - [ 0.0010480800000000, -0.0003677100000000, 0.0000000000000000 ] - [ -0.0046140900000000, -0.0141415500000000, 0.0000000000000000 ] - [ -0.0001462100000000, 0.0017514500000000, 0.0000000000000000 ] - [ 0.0145498400000000, -0.0070750700000000, 0.0000000000000000 ] - [ -0.0014459500000000, -0.0011376400000000, 0.0000000000000000 ] - [ 0.0049616600000000, 0.0007488800000000, -0.0033297300000000 ] - [ 0.0007519000000000, 0.0001110300000000, -0.0004477500000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013777100000000, 0.0003256800000000, -0.0003132300000000 ] - [ 0.0003984000000000, 0.0000814800000000, -0.0003017100000000 ] - [ -0.0009139100000000, 0.0004406300000000, -0.0002388900000000 ] - [ -0.0003266900000000, 0.0008946800000000, -0.0002296100000000 ] - [ 0.0018856300000000, 0.0042600100000000, -0.0037788300000000 ] - [ -0.0024345100000000, -0.0060429400000000, -0.0038046700000000 ] - [ -0.0007395700000000, -0.0000484700000000, 0.0058612200000000 ] - [ -0.0007458900000000, -0.0000468000000000, -0.0016726700000000 ] - [ 0.0003987900000000, -0.0006160800000000, 0.0054624700000000 ] - [ 0.0004142100000000, -0.0006164400000000, -0.0020084900000000 ] - [ 0.0003206800000000, 0.0006655500000000, 0.0029520900000000 ] - [ 0.0003278600000000, 0.0006639500000000, -0.0017738600000000 ] - [ 0.0005697000000000, 0.0011047500000000, -0.0004516800000000 ] - [ -0.0003922400000000, -0.0003679500000000, -0.0004406400000000 ] - [ -0.0023044100000000, -0.0006749800000000, -0.0006162800000000 ] - [ 0.0015890400000000, 0.0004606700000000, -0.0006106000000000 ] - [ -0.0042039800000000, 0.0044624000000000, -0.0033448200000000 ] - [ 0.0047926000000000, -0.0050123700000000, -0.0033625800000000 ] - [ -0.0007763700000000, 0.0001063000000000, 0.0058617100000000 ] - [ -0.0007725400000000, 0.0001031300000000, -0.0014687900000000 ] - [ 0.0002973600000000, -0.0007239800000000, 0.0025645900000000 ] - [ 0.0002962700000000, -0.0007168500000000, -0.0014497600000000 ] - [ 0.0004715400000000, 0.0005533900000000, 0.0052373200000000 ] - [ 0.0004697400000000, 0.0006164900000000, -0.0018464400000000 ] - [ 0.0002424800000000, -0.0006475800000000, 0.0001120000000000 ] - [ 0.0000171900000000, -0.0013398000000000, -0.0015716200000000 ] - [ 0.0004220100000000, 0.0012612500000000, 0.0011129500000000 ] - [ 0.0003626500000000, 0.0001987500000000, -0.0006169200000000 ] - [ -0.0057166500000000, -0.0006864100000000, 0.0157846200000000 ] - [ -0.0011954400000000, 0.0000307800000000, -0.0071639700000000 ] - [ 0.0035372700000000, 0.0015066000000000, 0.0133111500000000 ] - [ -0.0004472100000000, 0.0007224900000000, -0.0084447500000000 ] - [ 0.0010673400000000, -0.0001993900000000, -0.0001842400000000 ] - [ 0.0011205300000000, 0.0008617700000000, -0.0018843900000000 ] - [ -0.0000673800000000, -0.0011711200000000, 0.0014051200000000 ] - [ 0.0001603100000000, -0.0004714500000000, -0.0003038800000000 ] - [ 0.0032343000000000, 0.0036894800000000, 0.0120875800000000 ] - [ -0.0008973900000000, 0.0010481100000000, -0.0028894400000000 ] - [ 0.0016226300000000, 0.0009989000000000, 0.0041257300000000 ] - [ -0.0016605400000000, -0.0009979600000000, -0.0030621700000000 ] - [ 0.0012339500000000, -0.0001910500000000, 0.0023607300000000 ] - [ 0.0012368400000000, -0.0005879500000000, -0.0022500600000000 ] - [ 0.0013646800000000, -0.0008077700000000, 0.0026356300000000 ] - [ 0.0013633400000000, -0.0004123300000000, -0.0019517400000000 ] - [ -0.0037913200000000, -0.0027469700000000, 0.0043891500000000 ] - [ -0.0005031900000000, -0.0007500900000000, -0.0027676200000000 ] - [ -0.0034982400000000, -0.0008401800000000, 0.0119560700000000 ] - [ 0.0004574500000000, 0.0016987400000000, -0.0031829200000000 ] - [ -0.0000542800000000, 0.0000842600000000, 0.0106569900000000 ] - [ -0.0000000900000000, 0.0000048400000000, -0.0016632900000000 ] - [ 0.0012933000000000, 0.0004189100000000, 0.0006792500000000 ] - [ -0.0016209900000000, -0.0013516400000000, 0.0006569800000000 ] - [ 0.0037336600000000, -0.0118789800000000, 0.0203104400000000 ] - [ -0.0028597200000000, 0.0121408200000000, 0.0205088900000000 ] - [ -0.0003659800000000, -0.0010770000000000, -0.0264891000000000 ] - [ -0.0003080500000000, -0.0010420800000000, 0.0039887300000000 ] - [ 0.0010815300000000, 0.0002728900000000, -0.0106415200000000 ] - [ 0.0010635100000000, 0.0002472700000000, 0.0039462200000000 ] - [ -0.0007306400000000, 0.0007781300000000, -0.0046099900000000 ] - [ -0.0007406800000000, 0.0007928400000000, 0.0034882800000000 ] - [ -0.0011445200000000, -0.0006242500000000, 0.0003862800000000 ] - [ 0.0004990500000000, 0.0013608600000000, 0.0003663100000000 ] - [ -0.0001704200000000, -0.0033972900000000, -0.0021264200000000 ] - [ 0.0004155800000000, 0.0009330100000000, 0.0030594600000000 ] - [ 0.0042027700000000, -0.0008023500000000, -0.0026971000000000 ] - [ -0.0013202800000000, -0.0000260100000000, 0.0037248200000000 ] - [ 0.0001809300000000, 0.0034059800000000, -0.0026692200000000 ] - [ -0.0004083400000000, -0.0009259300000000, 0.0025475200000000 ] - [ -0.0014244700000000, -0.0016761100000000, 0.0000677300000000 ] - [ -0.0020643600000000, 0.0016081400000000, 0.0000472300000000 ] - [ -0.0037449300000000, -0.0016428000000000, 0.0051019800000000 ] - [ 0.0056113800000000, -0.0013220600000000, 0.0051081000000000 ] - [ 0.0035088800000000, 0.0070027600000000, 0.0041705400000000 ] - [ -0.0018623000000000, -0.0039818000000000, 0.0041817800000000 ] - [ 0.0020710000000000, -0.0009794300000000, -0.0753238500000000 ] - [ 0.0015602500000000, -0.0007764700000000, 0.0045135800000000 ] - [ -0.0000995000000000, 0.0017624800000000, -0.0035399300000000 ] - [ -0.0001099800000000, 0.0017344900000000, 0.0019282800000000 ] - [ -0.0014815400000000, -0.0009516800000000, -0.0035404000000000 ] - [ -0.0014509600000000, -0.0009616200000000, 0.0019280100000000 ] - [ -0.0042325200000000, 0.0008045800000000, -0.0038782700000000 ] - [ 0.0013076900000000, 0.0000261200000000, 0.0025787900000000 ]