# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ca4a0dde-c968-45f8-a225-bb3b47f691f5/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 LaNb3O9 / Cm (8) / materials id 757457](https://mdr.nims.go.jp/datasets/cdc3999e-0778-471b-b191-72c2f5405c1c) ## 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: "Cm" number: 8 Hall_symbol: "C -2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.386224495000000, -2.782753955000000, -0.029360360000000 ] # a - [ 8.386224495000000, 2.782753955000000, -0.029360360000000 ] # b - [ -5.614088500000000, 0.000000000000000, 7.997293420000000 ] # c points: - symbol: La # 1 coordinates: [ 0.667218440000000, 0.667218440000000, 0.999019830000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.326247030000000, 0.326247030000000, 0.998334300000000 ] mass: 138.905470 - symbol: Nb # 3 coordinates: [ 0.409278490000000, 0.409278490000000, 0.749593480000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.252841220000000, 0.252841220000000, 0.265702380000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.923362960000000, 0.923362960000000, 0.257669940000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.069589810000000, 0.069589810000000, 0.740405730000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.739758090000000, 0.739758090000000, 0.730809810000000 ] mass: 92.906380 - symbol: Nb # 8 coordinates: [ 0.583364010000000, 0.583364010000000, 0.246843560000000 ] mass: 92.906380 - symbol: O # 9 coordinates: [ 0.494558750000000, 0.494558750000000, 0.999203210000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.902231840000000, 0.417350460000000, 0.226274430000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.417350460000000, 0.902231840000000, 0.226274430000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.819535100000000, 0.819535100000000, 0.001253830000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.173377720000000, 0.173377720000000, 0.997360270000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.995579670000000, 0.995579670000000, 0.499592550000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.330716480000000, 0.330716480000000, 0.503578240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.571857030000000, 0.071405310000000, 0.226738150000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.744820600000000, 0.269610320000000, 0.771320870000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.723099380000000, 0.248258980000000, 0.229414660000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.269610320000000, 0.744820600000000, 0.771320870000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.071405310000000, 0.571857030000000, 0.226738150000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.920252190000000, 0.420967810000000, 0.771745200000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.661274720000000, 0.661274720000000, 0.494021570000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.420967810000000, 0.920252190000000, 0.771745200000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.248258980000000, 0.723099380000000, 0.229414660000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.573712000000000, 0.089803480000000, 0.770096250000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.089803480000000, 0.573712000000000, 0.770096250000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.059768479161648, -0.179678120338886, 0.041957386568404 ] # a* - [ 0.059768479161648, 0.179678120338886, 0.041957386568404 ] # b* - [ 0.000438854490558, 0.000000000000000, 0.125350379847463 ] # c*unit_cell: lattice: - [ 16.772448990000001, 0.000000000000000, -0.058720720000000 ] # a - [ 0.000000000000000, 5.565507910000000, 0.000000000000000 ] # b - [ -5.614088500000000, 0.000000000000000, 7.997293420000000 ] # c points: - symbol: La # 1 coordinates: [ 0.667218440000000, 0.000000000000000, 0.999019830000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.826247030000000, 0.500000000000000, 0.998334300000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.167218440000000, 0.500000000000000, 0.999019830000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.326247030000000, 0.000000000000000, 0.998334300000000 ] mass: 138.905470 reduced_to: 2 - symbol: Nb # 5 coordinates: [ 0.409278490000000, 0.000000000000000, 0.749593480000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.252841220000000, 0.000000000000000, 0.265702380000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.423362960000000, 0.500000000000000, 0.257669940000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.569589810000000, 0.500000000000000, 0.740405730000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.739758090000000, 0.000000000000000, 0.730809810000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.583364010000000, 0.000000000000000, 0.246843560000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.909278490000000, 0.500000000000000, 0.749593480000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 12 coordinates: [ 0.752841220000000, 0.500000000000000, 0.265702380000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 13 coordinates: [ 0.923362960000000, 0.000000000000000, 0.257669940000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 14 coordinates: [ 0.069589810000000, 0.000000000000000, 0.740405730000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 15 coordinates: [ 0.239758090000000, 0.500000000000000, 0.730809810000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 16 coordinates: [ 0.083364010000000, 0.500000000000000, 0.246843560000000 ] mass: 92.906380 reduced_to: 10 - symbol: O # 17 coordinates: [ 0.494558750000000, 0.000000000000000, 0.999203210000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.159791150000000, 0.257559310000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.159791150000000, 0.742440690000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.319535100000000, 0.500000000000000, 0.001253830000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.673377720000000, 0.500000000000000, 0.997360270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.495579670000000, 0.500000000000000, 0.499592550000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.330716480000000, 0.000000000000000, 0.503578240000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.321631170000000, 0.749774140000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.507215460000000, 0.762394860000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.485679180000000, 0.762579800000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.507215460000000, 0.237605140000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.321631170000000, 0.250225860000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.670610000000000, 0.750357810000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.661274720000000, 0.000000000000000, 0.494021570000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.670610000000000, 0.249642190000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.485679180000000, 0.237420200000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.831757740000000, 0.258045740000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.831757740000000, 0.741954260000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.994558750000000, 0.500000000000000, 0.999203210000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 36 coordinates: [ 0.659791150000000, 0.757559310000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 37 coordinates: [ 0.659791150000000, 0.242440690000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 38 coordinates: [ 0.819535100000000, 0.000000000000000, 0.001253830000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 39 coordinates: [ 0.173377720000000, 0.000000000000000, 0.997360270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 40 coordinates: [ 0.995579670000000, 0.000000000000000, 0.499592550000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 41 coordinates: [ 0.830716480000000, 0.500000000000000, 0.503578240000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 42 coordinates: [ 0.821631170000000, 0.249774140000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 43 coordinates: [ 0.007215460000000, 0.262394860000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 44 coordinates: [ 0.985679180000000, 0.262579800000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 45 coordinates: [ 0.007215460000000, 0.737605140000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 46 coordinates: [ 0.821631170000000, 0.750225860000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 47 coordinates: [ 0.170610000000000, 0.250357810000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 48 coordinates: [ 0.161274720000000, 0.500000000000000, 0.494021570000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 49 coordinates: [ 0.170610000000000, 0.749642190000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 50 coordinates: [ 0.985679180000000, 0.737420200000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 51 coordinates: [ 0.331757740000000, 0.758045740000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 52 coordinates: [ 0.331757740000000, 0.241954260000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 34supercell: lattice: - [ 16.772448990000001, 0.000000000000000, -0.058720720000000 ] # a - [ 0.000000000000000, 11.131015820000000, 0.000000000000000 ] # b - [ -5.614088500000000, 0.000000000000000, 7.997293420000000 ] # c points: - symbol: La # 1 coordinates: [ 0.667218440000000, 0.000000000000000, 0.999019830000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.667218440000000, 0.500000000000000, 0.999019830000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.826247030000000, 0.250000000000000, 0.998334300000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.826247030000000, 0.750000000000000, 0.998334300000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 5 coordinates: [ 0.167218440000000, 0.250000000000000, 0.999019830000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 6 coordinates: [ 0.167218440000000, 0.750000000000000, 0.999019830000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 7 coordinates: [ 0.326247030000000, 0.000000000000000, 0.998334300000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 8 coordinates: [ 0.326247030000000, 0.500000000000000, 0.998334300000000 ] mass: 138.905470 reduced_to: 3 - symbol: Nb # 9 coordinates: [ 0.409278490000000, 0.000000000000000, 0.749593480000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.409278490000000, 0.500000000000000, 0.749593480000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 11 coordinates: [ 0.252841220000000, 0.000000000000000, 0.265702380000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.252841220000000, 0.500000000000000, 0.265702380000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 13 coordinates: [ 0.423362960000000, 0.250000000000000, 0.257669940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.423362960000000, 0.750000000000000, 0.257669940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 15 coordinates: [ 0.569589810000000, 0.250000000000000, 0.740405730000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 16 coordinates: [ 0.569589810000000, 0.750000000000000, 0.740405730000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 17 coordinates: [ 0.739758090000000, 0.000000000000000, 0.730809810000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 18 coordinates: [ 0.739758090000000, 0.500000000000000, 0.730809810000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 19 coordinates: [ 0.583364010000000, 0.000000000000000, 0.246843560000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 20 coordinates: [ 0.583364010000000, 0.500000000000000, 0.246843560000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 21 coordinates: [ 0.909278490000000, 0.250000000000000, 0.749593480000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 22 coordinates: [ 0.909278490000000, 0.750000000000000, 0.749593480000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 23 coordinates: [ 0.752841220000000, 0.250000000000000, 0.265702380000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 24 coordinates: [ 0.752841220000000, 0.750000000000000, 0.265702380000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 25 coordinates: [ 0.923362960000000, 0.000000000000000, 0.257669940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 26 coordinates: [ 0.923362960000000, 0.500000000000000, 0.257669940000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 27 coordinates: [ 0.069589810000000, 0.000000000000000, 0.740405730000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 28 coordinates: [ 0.069589810000000, 0.500000000000000, 0.740405730000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 29 coordinates: [ 0.239758090000000, 0.250000000000000, 0.730809810000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 30 coordinates: [ 0.239758090000000, 0.750000000000000, 0.730809810000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 31 coordinates: [ 0.083364010000000, 0.250000000000000, 0.246843560000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 32 coordinates: [ 0.083364010000000, 0.750000000000000, 0.246843560000000 ] mass: 92.906380 reduced_to: 19 - symbol: O # 33 coordinates: [ 0.494558750000000, 0.000000000000000, 0.999203210000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.494558750000000, 0.500000000000000, 0.999203210000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.159791150000000, 0.128779655000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.159791150000000, 0.628779655000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.159791150000000, 0.371220345000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.159791150000000, 0.871220345000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.319535100000000, 0.250000000000000, 0.001253830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.319535100000000, 0.750000000000000, 0.001253830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.673377720000000, 0.250000000000000, 0.997360270000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.673377720000000, 0.750000000000000, 0.997360270000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.495579670000000, 0.250000000000000, 0.499592550000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.495579670000000, 0.750000000000000, 0.499592550000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.330716480000000, 0.000000000000000, 0.503578240000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.330716480000000, 0.500000000000000, 0.503578240000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.321631170000000, 0.374887070000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.321631170000000, 0.874887070000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.507215460000000, 0.381197430000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.507215460000000, 0.881197430000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.485679180000000, 0.381289900000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.485679180000000, 0.881289900000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.507215460000000, 0.118802570000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.507215460000000, 0.618802570000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.321631170000000, 0.125112930000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.321631170000000, 0.625112930000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.670610000000000, 0.375178905000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.670610000000000, 0.875178905000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.661274720000000, 0.000000000000000, 0.494021570000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.661274720000000, 0.500000000000000, 0.494021570000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.670610000000000, 0.124821095000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.670610000000000, 0.624821095000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.485679180000000, 0.118710100000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.485679180000000, 0.618710100000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.831757740000000, 0.129022870000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.831757740000000, 0.629022870000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.831757740000000, 0.370977130000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.831757740000000, 0.870977130000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.994558750000000, 0.250000000000000, 0.999203210000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 70 coordinates: [ 0.994558750000000, 0.750000000000000, 0.999203210000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 71 coordinates: [ 0.659791150000000, 0.378779655000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 72 coordinates: [ 0.659791150000000, 0.878779655000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 73 coordinates: [ 0.659791150000000, 0.121220345000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 74 coordinates: [ 0.659791150000000, 0.621220345000000, 0.226274430000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 75 coordinates: [ 0.819535100000000, 0.000000000000000, 0.001253830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 76 coordinates: [ 0.819535100000000, 0.500000000000000, 0.001253830000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 77 coordinates: [ 0.173377720000000, 0.000000000000000, 0.997360270000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 78 coordinates: [ 0.173377720000000, 0.500000000000000, 0.997360270000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 79 coordinates: [ 0.995579670000000, 0.000000000000000, 0.499592550000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 80 coordinates: [ 0.995579670000000, 0.500000000000000, 0.499592550000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 81 coordinates: [ 0.830716480000000, 0.250000000000000, 0.503578240000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 82 coordinates: [ 0.830716480000000, 0.750000000000000, 0.503578240000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 83 coordinates: [ 0.821631170000000, 0.124887070000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 84 coordinates: [ 0.821631170000000, 0.624887070000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 85 coordinates: [ 0.007215460000000, 0.131197430000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 86 coordinates: [ 0.007215460000000, 0.631197430000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 87 coordinates: [ 0.985679180000000, 0.131289900000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 88 coordinates: [ 0.985679180000000, 0.631289900000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 89 coordinates: [ 0.007215460000000, 0.368802570000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 90 coordinates: [ 0.007215460000000, 0.868802570000000, 0.771320870000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 91 coordinates: [ 0.821631170000000, 0.375112930000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 92 coordinates: [ 0.821631170000000, 0.875112930000000, 0.226738150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 93 coordinates: [ 0.170610000000000, 0.125178905000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 94 coordinates: [ 0.170610000000000, 0.625178905000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 95 coordinates: [ 0.161274720000000, 0.250000000000000, 0.494021570000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 96 coordinates: [ 0.161274720000000, 0.750000000000000, 0.494021570000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 97 coordinates: [ 0.170610000000000, 0.374821095000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 98 coordinates: [ 0.170610000000000, 0.874821095000000, 0.771745200000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 99 coordinates: [ 0.985679180000000, 0.368710100000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 100 coordinates: [ 0.985679180000000, 0.868710100000000, 0.229414660000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 101 coordinates: [ 0.331757740000000, 0.379022870000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 102 coordinates: [ 0.331757740000000, 0.879022870000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 103 coordinates: [ 0.331757740000000, 0.120977130000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 104 coordinates: [ 0.331757740000000, 0.620977130000000, 0.770096250000000 ] mass: 15.999400 reduced_to: 67displacements:- atom: 1 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0883015600000000, 0.0000000000000000, 0.0012888300000000 ] - [ -0.0016925200000000, 0.0000000000000000, -0.0009851900000000 ] - [ 0.0063352200000000, 0.0153136600000000, -0.0005259600000000 ] - [ 0.0063352200000000, -0.0153136600000000, -0.0005259600000000 ] - [ 0.0020397100000000, -0.0001446400000000, 0.0006210900000000 ] - [ 0.0020397100000000, 0.0001446400000000, 0.0006210900000000 ] - [ 0.0072273100000000, 0.0000000000000000, 0.0002173900000000 ] - [ 0.0011617000000000, 0.0000000000000000, 0.0003377500000000 ] - [ 0.0228229300000000, 0.0000000000000000, 0.0274401800000000 ] - [ 0.0001507200000000, 0.0000000000000000, 0.0001699900000000 ] - [ 0.0040122100000000, 0.0000000000000000, 0.0066402400000000 ] - [ 0.0032826500000000, 0.0000000000000000, 0.0011758500000000 ] - [ 0.0027158600000000, -0.0040127900000000, 0.0004766800000000 ] - [ 0.0027158600000000, 0.0040127900000000, 0.0004766800000000 ] - [ -0.0233162300000000, -0.0059246600000000, -0.0006243700000000 ] - [ -0.0233162300000000, 0.0059246600000000, -0.0006243700000000 ] - [ 0.0216775700000000, 0.0000000000000000, -0.0380041200000000 ] - [ -0.0022399500000000, 0.0000000000000000, -0.0023315000000000 ] - [ 0.0255384000000000, 0.0000000000000000, -0.0389896700000000 ] - [ -0.0029766700000000, 0.0000000000000000, -0.0022592500000000 ] - [ 0.0036283000000000, 0.0033336200000000, -0.0011785900000000 ] - [ 0.0036283000000000, -0.0033336200000000, -0.0011785900000000 ] - [ -0.0249085600000000, -0.0005018900000000, -0.0021312500000000 ] - [ -0.0249085600000000, 0.0005018900000000, -0.0021312500000000 ] - [ 0.0192682000000000, 0.0000000000000000, 0.0338309300000000 ] - [ -0.0002483500000000, 0.0000000000000000, 0.0019398900000000 ] - [ 0.0038257000000000, 0.0000000000000000, 0.0075255900000000 ] - [ 0.0033228300000000, 0.0000000000000000, 0.0015007000000000 ] - [ 0.0052046900000000, -0.0034533900000000, 0.0029909300000000 ] - [ 0.0052046900000000, 0.0034533900000000, 0.0029909300000000 ] - [ 0.0071682900000000, 0.0028705400000000, 0.0030211500000000 ] - [ 0.0071682900000000, -0.0028705400000000, 0.0030211500000000 ] - [ -0.0154638800000000, 0.0000000000000000, 0.0013558600000000 ] - [ 0.0000646000000000, 0.0000000000000000, 0.0009082600000000 ] - [ -0.0028976100000000, 0.0018187600000000, -0.0007528100000000 ] - [ -0.0020401000000000, 0.0013160700000000, -0.0003598100000000 ] - [ -0.0020401000000000, -0.0013160700000000, -0.0003598100000000 ] - [ -0.0028976100000000, -0.0018187600000000, -0.0007528100000000 ] - [ -0.0011196600000000, 0.0007859800000000, -0.0008254600000000 ] - [ -0.0011196600000000, -0.0007859800000000, -0.0008254600000000 ] - [ 0.0082851200000000, -0.0003216700000000, 0.0024203500000000 ] - [ 0.0082851200000000, 0.0003216700000000, 0.0024203500000000 ] - [ 0.0009908000000000, 0.0002221600000000, 0.0006437200000000 ] - [ 0.0009908000000000, -0.0002221600000000, 0.0006437200000000 ] - [ -0.0006925500000000, 0.0000000000000000, -0.0094278800000000 ] - [ -0.0001443000000000, 0.0000000000000000, -0.0012976300000000 ] - [ -0.0013568700000000, 0.0010079900000000, -0.0001525100000000 ] - [ -0.0010449800000000, -0.0001339700000000, -0.0005986400000000 ] - [ 0.0008854900000000, 0.0004318300000000, 0.0002435500000000 ] - [ 0.0096606200000000, -0.0098266900000000, -0.0047416200000000 ] - [ 0.0008559700000000, 0.0012671300000000, 0.0000503600000000 ] - [ -0.0047157900000000, -0.0041308200000000, 0.0020417400000000 ] - [ 0.0096606200000000, 0.0098266900000000, -0.0047416200000000 ] - [ 0.0008854900000000, -0.0004318300000000, 0.0002435500000000 ] - [ -0.0010449800000000, 0.0001339700000000, -0.0005986400000000 ] - [ -0.0013568700000000, -0.0010079900000000, -0.0001525100000000 ] - [ 0.0028829800000000, 0.0001432500000000, 0.0007236500000000 ] - [ 0.0090524300000000, 0.0073099700000000, 0.0049562400000000 ] - [ -0.0016896400000000, 0.0000000000000000, 0.0201943000000000 ] - [ 0.0005120000000000, 0.0000000000000000, 0.0018261300000000 ] - [ 0.0090524300000000, -0.0073099700000000, 0.0049562400000000 ] - [ 0.0028829800000000, -0.0001432500000000, 0.0007236500000000 ] - [ -0.0047157900000000, 0.0041308200000000, 0.0020417400000000 ] - [ 0.0008559700000000, -0.0012671300000000, 0.0000503600000000 ] - [ -0.0046096100000000, -0.0038799700000000, 0.0025916600000000 ] - [ 0.0004033800000000, 0.0012470200000000, 0.0007815700000000 ] - [ 0.0004033800000000, -0.0012470200000000, 0.0007815700000000 ] - [ -0.0046096100000000, 0.0038799700000000, 0.0025916600000000 ] - [ -0.0018613300000000, -0.0005985300000000, -0.0005858300000000 ] - [ -0.0018613300000000, 0.0005985300000000, -0.0005858300000000 ] - [ 0.0025752600000000, -0.0012458400000000, 0.0003155500000000 ] - [ 0.0091114000000000, -0.0089082700000000, 0.0059095900000000 ] - [ 0.0091114000000000, 0.0089082700000000, 0.0059095900000000 ] - [ 0.0025752600000000, 0.0012458400000000, 0.0003155500000000 ] - [ 0.0052383200000000, 0.0000000000000000, -0.0028082000000000 ] - [ 0.0004835000000000, 0.0000000000000000, -0.0000097000000000 ] - [ -0.0015734200000000, 0.0000000000000000, -0.0022366200000000 ] - [ -0.0006508200000000, 0.0000000000000000, -0.0001702700000000 ] - [ 0.0001194500000000, 0.0000000000000000, -0.0101593600000000 ] - [ -0.0003165000000000, 0.0000000000000000, -0.0011585300000000 ] - [ 0.0011044200000000, -0.0001352200000000, 0.0013714900000000 ] - [ 0.0011044200000000, 0.0001352200000000, 0.0013714900000000 ] - [ 0.0127459500000000, -0.0100961900000000, -0.0045176900000000 ] - [ 0.0024898400000000, 0.0002361300000000, -0.0002704100000000 ] - [ -0.0011655100000000, 0.0001837300000000, -0.0007693200000000 ] - [ -0.0016704100000000, 0.0012360800000000, -0.0002155100000000 ] - [ -0.0062071100000000, -0.0058238400000000, -0.0020554700000000 ] - [ -0.0008977800000000, 0.0006391400000000, -0.0006827000000000 ] - [ -0.0016704100000000, -0.0012360800000000, -0.0002155100000000 ] - [ -0.0011655100000000, -0.0001837300000000, -0.0007693200000000 ] - [ 0.0024898400000000, -0.0002361300000000, -0.0002704100000000 ] - [ 0.0127459500000000, 0.0100961900000000, -0.0045176900000000 ] - [ -0.0026521700000000, -0.0010633700000000, -0.0008381100000000 ] - [ -0.0019541800000000, -0.0013687600000000, -0.0002093400000000 ] - [ -0.0005008300000000, -0.0000295300000000, -0.0039069100000000 ] - [ -0.0005008300000000, 0.0000295300000000, -0.0039069100000000 ] - [ -0.0019541800000000, 0.0013687600000000, -0.0002093400000000 ] - [ -0.0026521700000000, 0.0010633700000000, -0.0008381100000000 ] - [ -0.0008977800000000, -0.0006391400000000, -0.0006827000000000 ] - [ -0.0062071100000000, 0.0058238400000000, -0.0020554700000000 ] - [ -0.0003661000000000, 0.0002745000000000, -0.0000037300000000 ] - [ -0.0062098800000000, -0.0051767400000000, -0.0014702600000000 ] - [ -0.0062098800000000, 0.0051767400000000, -0.0014702600000000 ] - [ -0.0003661000000000, -0.0002745000000000, -0.0000037300000000 ]- atom: 1 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0877725100000000, 0.0000000000000000, -0.0017121100000000 ] - [ 0.0019916900000000, 0.0000000000000000, 0.0006644900000000 ] - [ -0.0052585200000000, -0.0151320400000000, 0.0006445800000000 ] - [ -0.0052585200000000, 0.0151320400000000, 0.0006445800000000 ] - [ -0.0017541600000000, 0.0001540400000000, -0.0009339700000000 ] - [ -0.0017541600000000, -0.0001540400000000, -0.0009339700000000 ] - [ -0.0062322500000000, 0.0000000000000000, -0.0000801800000000 ] - [ -0.0000966200000000, 0.0000000000000000, -0.0002020800000000 ] - [ -0.0233566900000000, 0.0000000000000000, -0.0281668800000000 ] - [ -0.0004867200000000, 0.0000000000000000, -0.0005101800000000 ] - [ -0.0033432000000000, 0.0000000000000000, -0.0063360700000000 ] - [ -0.0026142200000000, 0.0000000000000000, -0.0008561500000000 ] - [ -0.0025486200000000, 0.0040350900000000, 0.0008390100000000 ] - [ -0.0025486200000000, -0.0040350900000000, 0.0008390100000000 ] - [ 0.0242903900000000, 0.0058521800000000, 0.0007987300000000 ] - [ 0.0242903900000000, -0.0058521800000000, 0.0007987300000000 ] - [ -0.0216651700000000, 0.0000000000000000, 0.0374220500000000 ] - [ 0.0021062300000000, 0.0000000000000000, 0.0021093100000000 ] - [ -0.0257803600000000, 0.0000000000000000, 0.0390853300000000 ] - [ 0.0030046200000000, 0.0000000000000000, 0.0018869000000000 ] - [ -0.0040083500000000, -0.0033245700000000, 0.0007978800000000 ] - [ -0.0040083500000000, 0.0033245700000000, 0.0007978800000000 ] - [ 0.0256066900000000, 0.0004255100000000, 0.0023135700000000 ] - [ 0.0256066900000000, -0.0004255100000000, 0.0023135700000000 ] - [ -0.0189675900000000, 0.0000000000000000, -0.0321557800000000 ] - [ 0.0003910800000000, 0.0000000000000000, -0.0006551200000000 ] - [ -0.0029182300000000, 0.0000000000000000, -0.0074855200000000 ] - [ -0.0024143200000000, 0.0000000000000000, -0.0014761300000000 ] - [ -0.0053246500000000, 0.0034788900000000, -0.0032057900000000 ] - [ -0.0053246500000000, -0.0034788900000000, -0.0032057900000000 ] - [ -0.0071618400000000, -0.0028538900000000, -0.0033996700000000 ] - [ -0.0071618400000000, 0.0028538900000000, -0.0033996700000000 ] - [ 0.0144980800000000, 0.0000000000000000, -0.0009517500000000 ] - [ -0.0009868300000000, 0.0000000000000000, -0.0005047000000000 ] - [ 0.0028111700000000, -0.0020137800000000, 0.0004788000000000 ] - [ 0.0019498900000000, -0.0015021400000000, 0.0000840300000000 ] - [ 0.0019498900000000, 0.0015021400000000, 0.0000840300000000 ] - [ 0.0028111700000000, 0.0020137800000000, 0.0004788000000000 ] - [ 0.0009934600000000, -0.0007905800000000, 0.0004228700000000 ] - [ 0.0009934600000000, 0.0007905800000000, 0.0004228700000000 ] - [ -0.0080932200000000, 0.0004111700000000, -0.0016316800000000 ] - [ -0.0080932200000000, -0.0004111700000000, -0.0016316800000000 ] - [ -0.0015297500000000, -0.0002272900000000, -0.0004939800000000 ] - [ -0.0015297500000000, 0.0002272900000000, -0.0004939800000000 ] - [ 0.0006858800000000, 0.0000000000000000, 0.0086021600000000 ] - [ 0.0001413800000000, 0.0000000000000000, 0.0004319900000000 ] - [ 0.0016087100000000, -0.0010828700000000, -0.0000580300000000 ] - [ 0.0012940000000000, 0.0000651100000000, 0.0003892700000000 ] - [ -0.0009999700000000, -0.0002001300000000, -0.0005040800000000 ] - [ -0.0099890700000000, 0.0100144500000000, 0.0043425700000000 ] - [ -0.0012864900000000, -0.0016423900000000, 0.0000843900000000 ] - [ 0.0043140500000000, 0.0037824000000000, -0.0019252500000000 ] - [ -0.0099890700000000, -0.0100144500000000, 0.0043425700000000 ] - [ -0.0009999700000000, 0.0002001300000000, -0.0005040800000000 ] - [ 0.0012940000000000, -0.0000651100000000, 0.0003892700000000 ] - [ 0.0016087100000000, 0.0010828700000000, -0.0000580300000000 ] - [ -0.0033017500000000, -0.0005774700000000, -0.0007548000000000 ] - [ -0.0092316400000000, -0.0078224600000000, -0.0051612700000000 ] - [ 0.0021117900000000, 0.0000000000000000, -0.0203373600000000 ] - [ -0.0000986500000000, 0.0000000000000000, -0.0019502200000000 ] - [ -0.0092316400000000, 0.0078224600000000, -0.0051612700000000 ] - [ -0.0033017500000000, 0.0005774700000000, -0.0007548000000000 ] - [ 0.0043140500000000, -0.0037824000000000, -0.0019252500000000 ] - [ -0.0012864900000000, 0.0016423900000000, 0.0000843900000000 ] - [ 0.0045071600000000, 0.0036282400000000, -0.0021951800000000 ] - [ -0.0004974100000000, -0.0014906300000000, -0.0004015600000000 ] - [ -0.0004974100000000, 0.0014906300000000, -0.0004015600000000 ] - [ 0.0045071600000000, -0.0036282400000000, -0.0021951800000000 ] - [ 0.0009438400000000, 0.0005951400000000, 0.0010035500000000 ] - [ 0.0009438400000000, -0.0005951400000000, 0.0010035500000000 ] - [ -0.0026721700000000, 0.0010615700000000, -0.0005842500000000 ] - [ -0.0094205300000000, 0.0086931600000000, -0.0060475700000000 ] - [ -0.0094205300000000, -0.0086931600000000, -0.0060475700000000 ] - [ -0.0026721700000000, -0.0010615700000000, -0.0005842500000000 ] - [ -0.0041397100000000, 0.0000000000000000, 0.0023993000000000 ] - [ -0.0006011000000000, 0.0000000000000000, -0.0003825800000000 ] - [ 0.0017614600000000, 0.0000000000000000, 0.0030342700000000 ] - [ 0.0008354200000000, 0.0000000000000000, 0.0009672400000000 ] - [ -0.0006390500000000, 0.0000000000000000, 0.0103126800000000 ] - [ -0.0002229300000000, 0.0000000000000000, 0.0013551100000000 ] - [ -0.0011077900000000, 0.0001295100000000, -0.0021874900000000 ] - [ -0.0011077900000000, -0.0001295100000000, -0.0021874900000000 ] - [ -0.0122472100000000, 0.0101037100000000, 0.0044819500000000 ] - [ -0.0022160600000000, -0.0003246600000000, 0.0000657600000000 ] - [ 0.0010793000000000, 0.0000294800000000, 0.0005166200000000 ] - [ 0.0015787700000000, -0.0010177800000000, -0.0000376700000000 ] - [ 0.0057739900000000, 0.0054500200000000, 0.0021745000000000 ] - [ 0.0004852500000000, -0.0009944900000000, 0.0008167700000000 ] - [ 0.0015787700000000, 0.0010177800000000, -0.0000376700000000 ] - [ 0.0010793000000000, -0.0000294800000000, 0.0005166200000000 ] - [ -0.0022160600000000, 0.0003246600000000, 0.0000657600000000 ] - [ -0.0122472100000000, -0.0101037100000000, 0.0044819500000000 ] - [ 0.0022205700000000, 0.0006179500000000, 0.0008126100000000 ] - [ 0.0015236700000000, 0.0009315400000000, 0.0001839700000000 ] - [ 0.0009143100000000, 0.0000255300000000, 0.0037785800000000 ] - [ 0.0009143100000000, -0.0000255300000000, 0.0037785800000000 ] - [ 0.0015236700000000, -0.0009315400000000, 0.0001839700000000 ] - [ 0.0022205700000000, -0.0006179500000000, 0.0008126100000000 ] - [ 0.0004852500000000, 0.0009944900000000, 0.0008167700000000 ] - [ 0.0057739900000000, -0.0054500200000000, 0.0021745000000000 ] - [ 0.0002555000000000, -0.0005362700000000, 0.0003769800000000 ] - [ 0.0061302400000000, 0.0049424900000000, 0.0018612400000000 ] - [ 0.0061302400000000, -0.0049424900000000, 0.0018612400000000 ] - [ 0.0002555000000000, 0.0005362700000000, 0.0003769800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001810000000000, -0.0702310000000000, -0.0002543800000000 ] - [ 0.0001522400000000, 0.0155317700000000, -0.0001567200000000 ] - [ 0.0158924200000000, 0.0075642300000000, -0.0000086400000000 ] - [ -0.0146615000000000, 0.0075279700000000, 0.0001326900000000 ] - [ 0.0002918200000000, 0.0000613700000000, -0.0001384100000000 ] - [ 0.0000000700000000, 0.0000540500000000, -0.0001662000000000 ] - [ 0.0005310700000000, -0.0009347700000000, 0.0000734000000000 ] - [ 0.0005241000000000, 0.0008587200000000, 0.0000668500000000 ] - [ -0.0001551300000000, -0.0219024900000000, -0.0001249300000000 ] - [ -0.0002090500000000, 0.0081893200000000, -0.0001796000000000 ] - [ 0.0003298200000000, -0.0021186700000000, 0.0001610600000000 ] - [ 0.0003276900000000, 0.0018776000000000, 0.0001528200000000 ] - [ -0.0000002100000000, 0.0003737100000000, -0.0050971800000000 ] - [ 0.0001809900000000, 0.0003982800000000, 0.0063738700000000 ] - [ -0.0010864300000000, 0.0250324900000000, -0.0305057700000000 ] - [ 0.0019803700000000, 0.0248645400000000, 0.0301254800000000 ] - [ -0.0000965600000000, -0.0265218600000000, -0.0000360600000000 ] - [ -0.0000337600000000, 0.0100479900000000, -0.0001075800000000 ] - [ 0.0000408300000000, -0.0262784700000000, -0.0002294600000000 ] - [ -0.0000165600000000, 0.0088314300000000, -0.0001838300000000 ] - [ 0.0009259100000000, 0.0004744300000000, 0.0050988300000000 ] - [ -0.0013107600000000, 0.0005062800000000, -0.0054376400000000 ] - [ -0.0042636500000000, 0.0236008900000000, 0.0268423300000000 ] - [ 0.0049118400000000, 0.0234678000000000, -0.0261701400000000 ] - [ 0.0000555900000000, -0.0210321400000000, 0.0005548800000000 ] - [ 0.0001029500000000, 0.0084743800000000, 0.0006542000000000 ] - [ 0.0004606600000000, -0.0023691000000000, 0.0000078200000000 ] - [ 0.0004618900000000, 0.0020793200000000, 0.0000177600000000 ] - [ -0.0003208800000000, 0.0000576000000000, -0.0003992000000000 ] - [ 0.0002206700000000, 0.0000749200000000, 0.0001837000000000 ] - [ 0.0008163900000000, 0.0000525500000000, 0.0009074100000000 ] - [ -0.0008227100000000, 0.0000787300000000, -0.0012733300000000 ] - [ -0.0004780800000000, 0.0051417600000000, 0.0002027800000000 ] - [ -0.0004519100000000, -0.0015238400000000, 0.0002053300000000 ] - [ -0.0006094300000000, 0.0005024600000000, -0.0003252800000000 ] - [ 0.0003928500000000, -0.0005800700000000, 0.0000166300000000 ] - [ -0.0004751200000000, -0.0003747100000000, -0.0002909400000000 ] - [ 0.0005187400000000, 0.0006991800000000, 0.0000513300000000 ] - [ 0.0001726300000000, 0.0000108600000000, 0.0008615100000000 ] - [ -0.0002924300000000, 0.0000067400000000, -0.0012540800000000 ] - [ -0.0016811300000000, -0.0153789900000000, 0.0021998100000000 ] - [ 0.0018375800000000, -0.0156869400000000, -0.0013858000000000 ] - [ -0.0009688100000000, -0.0008308200000000, 0.0091318700000000 ] - [ 0.0004240800000000, -0.0008335300000000, -0.0089051400000000 ] - [ 0.0000046100000000, 0.0016017500000000, -0.0004320200000000 ] - [ 0.0000043000000000, -0.0006935900000000, -0.0004187800000000 ] - [ 0.0007627700000000, -0.0008974100000000, 0.0002192000000000 ] - [ -0.0005820800000000, 0.0008092600000000, -0.0005773800000000 ] - [ 0.0051853000000000, -0.0075909800000000, 0.0008162500000000 ] - [ -0.0077581600000000, 0.0084877000000000, -0.0036605900000000 ] - [ -0.0012208200000000, -0.0019915900000000, 0.0005051200000000 ] - [ 0.0006841900000000, 0.0019081200000000, -0.0005177300000000 ] - [ 0.0076195000000000, 0.0085044100000000, 0.0032552400000000 ] - [ -0.0052666800000000, -0.0077942000000000, -0.0010492000000000 ] - [ 0.0008415400000000, 0.0008887300000000, 0.0003767000000000 ] - [ -0.0005052500000000, -0.0008260100000000, -0.0004185400000000 ] - [ -0.0048715100000000, -0.0071642300000000, 0.0023199700000000 ] - [ 0.0088698000000000, 0.0099030500000000, -0.0052949900000000 ] - [ 0.0002063400000000, 0.0028181200000000, -0.0000716400000000 ] - [ 0.0002062600000000, -0.0011104800000000, -0.0000613600000000 ] - [ -0.0092525200000000, 0.0105883000000000, 0.0051144300000000 ] - [ 0.0044237900000000, -0.0067074800000000, -0.0023263200000000 ] - [ -0.0011198900000000, 0.0023043200000000, 0.0006616900000000 ] - [ 0.0008125600000000, -0.0016245700000000, -0.0003655100000000 ] - [ -0.0003523300000000, 0.0024532100000000, 0.0004482500000000 ] - [ -0.0007457800000000, -0.0024123800000000, -0.0001894800000000 ] - [ 0.0006341500000000, -0.0021373200000000, 0.0005669300000000 ] - [ 0.0002841300000000, 0.0026852300000000, -0.0000785200000000 ] - [ -0.0010521700000000, 0.0000013900000000, -0.0012553100000000 ] - [ 0.0001356600000000, -0.0000021400000000, 0.0016599500000000 ] - [ 0.0051233200000000, -0.0068030900000000, -0.0010172300000000 ] - [ -0.0104740800000000, 0.0110551400000000, 0.0037037000000000 ] - [ 0.0103412600000000, 0.0114559400000000, -0.0038344500000000 ] - [ -0.0052019300000000, -0.0065960500000000, 0.0007246600000000 ] - [ -0.0000175700000000, 0.0113588200000000, -0.0001860700000000 ] - [ -0.0000646200000000, -0.0030595500000000, -0.0001996900000000 ] - [ 0.0000916800000000, 0.0005074800000000, 0.0004015500000000 ] - [ 0.0000925600000000, -0.0004555100000000, 0.0004012000000000 ] - [ -0.0002725100000000, 0.0015887200000000, 0.0001151200000000 ] - [ -0.0002706400000000, -0.0006990900000000, 0.0000899000000000 ] - [ 0.0003475100000000, -0.0008562000000000, -0.0087429100000000 ] - [ -0.0003417700000000, -0.0008584100000000, 0.0078614500000000 ] - [ -0.0046421100000000, 0.0060139700000000, -0.0040773800000000 ] - [ 0.0041308200000000, -0.0070280300000000, 0.0013964300000000 ] - [ -0.0013054000000000, 0.0012499900000000, -0.0004634600000000 ] - [ 0.0010837100000000, -0.0009918200000000, 0.0001031300000000 ] - [ -0.0008298300000000, 0.0024208800000000, -0.0006300000000000 ] - [ -0.0000762000000000, -0.0018468100000000, 0.0008263400000000 ] - [ -0.0011727500000000, -0.0012016200000000, -0.0003580000000000 ] - [ 0.0012115200000000, 0.0010358900000000, 0.0002107000000000 ] - [ -0.0038774700000000, -0.0069569000000000, -0.0016259800000000 ] - [ 0.0049467700000000, 0.0058314700000000, 0.0040382600000000 ] - [ 0.0000230900000000, 0.0001448400000000, 0.0000449700000000 ] - [ -0.0003109500000000, -0.0005022700000000, -0.0000918500000000 ] - [ 0.0002193600000000, 0.0000108100000000, -0.0004241000000000 ] - [ 0.0001935900000000, 0.0000083300000000, 0.0002985300000000 ] - [ -0.0001246900000000, -0.0000562000000000, 0.0000608000000000 ] - [ -0.0004571300000000, 0.0005843600000000, -0.0000744200000000 ] - [ -0.0003540900000000, -0.0014616300000000, -0.0006906600000000 ] - [ 0.0004275800000000, 0.0027681400000000, 0.0007742500000000 ] - [ -0.0002798800000000, -0.0010763700000000, 0.0002809000000000 ] - [ 0.0003201900000000, 0.0015600300000000, 0.0001540900000000 ] - [ -0.0004263800000000, 0.0018326900000000, 0.0002174100000000 ] - [ 0.0001992200000000, -0.0008231600000000, 0.0000943700000000 ]- atom: 1 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0516625800000000, 0.0000000000000000, -0.0694782100000000 ] - [ 0.0005071700000000, 0.0000000000000000, -0.0040217000000000 ] - [ -0.0032594200000000, -0.0088149100000000, -0.0071314200000000 ] - [ -0.0032594200000000, 0.0088149100000000, -0.0071314200000000 ] - [ -0.0003146800000000, 0.0000814300000000, -0.0002516900000000 ] - [ -0.0003146800000000, -0.0000814300000000, -0.0002516900000000 ] - [ -0.0032891600000000, 0.0000000000000000, -0.0011069200000000 ] - [ 0.0003733800000000, 0.0000000000000000, -0.0004581700000000 ] - [ 0.0124548300000000, 0.0000000000000000, -0.0175861700000000 ] - [ 0.0039618900000000, 0.0000000000000000, -0.0015663600000000 ] - [ -0.0004847900000000, 0.0000000000000000, 0.0008767900000000 ] - [ -0.0002756100000000, 0.0000000000000000, 0.0009867300000000 ] - [ -0.0040912600000000, 0.0032451800000000, 0.0051984300000000 ] - [ -0.0040912600000000, -0.0032451800000000, 0.0051984300000000 ] - [ 0.0123214900000000, -0.0237056600000000, 0.0034986300000000 ] - [ 0.0123214900000000, 0.0237056600000000, 0.0034986300000000 ] - [ -0.0423773100000000, 0.0000000000000000, 0.0294512500000000 ] - [ -0.0029876900000000, 0.0000000000000000, 0.0012689700000000 ] - [ -0.0488902300000000, 0.0000000000000000, 0.0281857000000000 ] - [ -0.0042426400000000, 0.0000000000000000, 0.0001662100000000 ] - [ -0.0054148700000000, -0.0030183900000000, 0.0050612400000000 ] - [ -0.0054148700000000, 0.0030183900000000, 0.0050612400000000 ] - [ 0.0131098000000000, 0.0269361500000000, 0.0048382900000000 ] - [ 0.0131098000000000, -0.0269361500000000, 0.0048382900000000 ] - [ 0.0122188200000000, 0.0000000000000000, -0.0176982300000000 ] - [ 0.0036308800000000, 0.0000000000000000, -0.0005839500000000 ] - [ -0.0000968500000000, 0.0000000000000000, -0.0000124900000000 ] - [ 0.0001106300000000, 0.0000000000000000, 0.0004843500000000 ] - [ 0.0000080800000000, 0.0009117000000000, -0.0009828800000000 ] - [ 0.0000080800000000, -0.0009117000000000, -0.0009828800000000 ] - [ -0.0004391100000000, -0.0005864400000000, -0.0012027400000000 ] - [ -0.0004391100000000, 0.0005864400000000, -0.0012027400000000 ] - [ 0.0091784300000000, 0.0000000000000000, 0.0130660600000000 ] - [ -0.0005052800000000, 0.0000000000000000, 0.0025956800000000 ] - [ 0.0002632000000000, -0.0002716700000000, -0.0000783800000000 ] - [ 0.0001909400000000, -0.0002645800000000, -0.0000384100000000 ] - [ 0.0001909400000000, 0.0002645800000000, -0.0000384100000000 ] - [ 0.0002632000000000, 0.0002716700000000, -0.0000783800000000 ] - [ 0.0003323200000000, -0.0004133900000000, 0.0000408700000000 ] - [ 0.0003323200000000, 0.0004133900000000, 0.0000408700000000 ] - [ -0.0039175600000000, 0.0005914700000000, 0.0112486700000000 ] - [ -0.0039175600000000, -0.0005914700000000, 0.0112486700000000 ] - [ -0.0005494700000000, 0.0008651500000000, -0.0057591100000000 ] - [ -0.0005494700000000, -0.0008651500000000, -0.0057591100000000 ] - [ -0.0007389800000000, 0.0000000000000000, 0.0004244100000000 ] - [ -0.0001843900000000, 0.0000000000000000, -0.0012692900000000 ] - [ 0.0008466300000000, -0.0005209400000000, -0.0002934200000000 ] - [ 0.0010400900000000, -0.0001497500000000, -0.0004367400000000 ] - [ -0.0027932100000000, 0.0037853300000000, 0.0010747500000000 ] - [ -0.0082194700000000, 0.0016859400000000, 0.0030409700000000 ] - [ 0.0006177200000000, -0.0001435300000000, 0.0000485800000000 ] - [ 0.0069407400000000, 0.0048253500000000, -0.0007319400000000 ] - [ -0.0082194700000000, -0.0016859400000000, 0.0030409700000000 ] - [ -0.0027932100000000, -0.0037853300000000, 0.0010747500000000 ] - [ 0.0010400900000000, 0.0001497500000000, -0.0004367400000000 ] - [ 0.0008466300000000, 0.0005209400000000, -0.0002934200000000 ] - [ 0.0002842200000000, 0.0026757500000000, 0.0011115000000000 ] - [ 0.0008886600000000, -0.0069848300000000, -0.0015635500000000 ] - [ 0.0040290800000000, 0.0000000000000000, -0.0216700700000000 ] - [ 0.0005840000000000, 0.0000000000000000, -0.0026866100000000 ] - [ 0.0008886600000000, 0.0069848300000000, -0.0015635500000000 ] - [ 0.0002842200000000, -0.0026757500000000, 0.0011115000000000 ] - [ 0.0069407400000000, -0.0048253500000000, -0.0007319400000000 ] - [ 0.0006177200000000, 0.0001435300000000, 0.0000485800000000 ] - [ 0.0075248500000000, 0.0051882300000000, -0.0004420200000000 ] - [ 0.0008467200000000, -0.0003163900000000, -0.0000310500000000 ] - [ 0.0008467200000000, 0.0003163900000000, -0.0000310500000000 ] - [ 0.0075248500000000, -0.0051882300000000, -0.0004420200000000 ] - [ 0.0002087900000000, 0.0003169900000000, 0.0005996100000000 ] - [ 0.0002087900000000, -0.0003169900000000, 0.0005996100000000 ] - [ 0.0014031400000000, -0.0034915900000000, 0.0010505900000000 ] - [ 0.0001640400000000, 0.0062477700000000, -0.0038001900000000 ] - [ 0.0001640400000000, -0.0062477700000000, -0.0038001900000000 ] - [ 0.0014031400000000, 0.0034915900000000, 0.0010505900000000 ] - [ -0.0020766200000000, 0.0000000000000000, 0.0155306800000000 ] - [ -0.0002371700000000, 0.0000000000000000, 0.0017251400000000 ] - [ 0.0006476300000000, 0.0000000000000000, 0.0007695700000000 ] - [ 0.0001643800000000, 0.0000000000000000, 0.0002923500000000 ] - [ -0.0015028600000000, 0.0000000000000000, 0.0022504200000000 ] - [ -0.0004547900000000, 0.0000000000000000, -0.0003388200000000 ] - [ -0.0002277700000000, -0.0009711800000000, -0.0072923100000000 ] - [ -0.0002277700000000, 0.0009711800000000, -0.0072923100000000 ] - [ -0.0091988400000000, 0.0008904400000000, 0.0049385300000000 ] - [ -0.0030606100000000, 0.0032796000000000, 0.0022141600000000 ] - [ 0.0006800800000000, -0.0001481600000000, -0.0003790900000000 ] - [ 0.0006395900000000, -0.0003337800000000, -0.0003210800000000 ] - [ -0.0005176400000000, 0.0004236900000000, 0.0023567800000000 ] - [ -0.0007247600000000, -0.0010512700000000, 0.0008286600000000 ] - [ 0.0006395900000000, 0.0003337800000000, -0.0003210800000000 ] - [ 0.0006800800000000, 0.0001481600000000, -0.0003790900000000 ] - [ -0.0030606100000000, -0.0032796000000000, 0.0022141600000000 ] - [ -0.0091988400000000, -0.0008904400000000, 0.0049385300000000 ] - [ -0.0000880900000000, -0.0003595400000000, 0.0002781000000000 ] - [ -0.0000695600000000, -0.0000522900000000, 0.0001307100000000 ] - [ 0.0002616700000000, 0.0000025400000000, 0.0006288600000000 ] - [ 0.0002616700000000, -0.0000025400000000, 0.0006288600000000 ] - [ -0.0000695600000000, 0.0000522900000000, 0.0001307100000000 ] - [ -0.0000880900000000, 0.0003595400000000, 0.0002781000000000 ] - [ -0.0007247600000000, 0.0010512700000000, 0.0008286600000000 ] - [ -0.0005176400000000, -0.0004236900000000, 0.0023567800000000 ] - [ -0.0009399100000000, -0.0006975700000000, 0.0005554900000000 ] - [ -0.0003362300000000, 0.0006879700000000, 0.0021939500000000 ] - [ -0.0003362300000000, -0.0006879700000000, 0.0021939500000000 ] - [ -0.0009399100000000, 0.0006975700000000, 0.0005554900000000 ]- atom: 1 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0515169600000000, 0.0000000000000000, 0.0687214900000000 ] - [ -0.0002167300000000, 0.0000000000000000, 0.0036950300000000 ] - [ 0.0043032000000000, 0.0088597500000000, 0.0073267200000000 ] - [ 0.0043032000000000, -0.0088597500000000, 0.0073267200000000 ] - [ 0.0006023500000000, -0.0000754700000000, -0.0000507000000000 ] - [ 0.0006023500000000, 0.0000754700000000, -0.0000507000000000 ] - [ 0.0043235800000000, 0.0000000000000000, 0.0012402200000000 ] - [ 0.0006877300000000, 0.0000000000000000, 0.0005976000000000 ] - [ -0.0126647600000000, 0.0000000000000000, 0.0172240100000000 ] - [ -0.0043204200000000, 0.0000000000000000, 0.0012234000000000 ] - [ 0.0011373500000000, 0.0000000000000000, -0.0005319300000000 ] - [ 0.0009314200000000, 0.0000000000000000, -0.0006569100000000 ] - [ 0.0042444100000000, -0.0032184300000000, -0.0038865800000000 ] - [ 0.0042444100000000, 0.0032184300000000, -0.0038865800000000 ] - [ -0.0115708200000000, 0.0237890300000000, -0.0033700700000000 ] - [ -0.0115708200000000, -0.0237890300000000, -0.0033700700000000 ] - [ 0.0428216200000000, 0.0000000000000000, -0.0298594400000000 ] - [ 0.0028743700000000, 0.0000000000000000, -0.0014794400000000 ] - [ 0.0482008100000000, 0.0000000000000000, -0.0282984300000000 ] - [ 0.0042398300000000, 0.0000000000000000, -0.0005435100000000 ] - [ 0.0050602000000000, 0.0030365000000000, -0.0053971500000000 ] - [ 0.0050602000000000, -0.0030365000000000, -0.0053971500000000 ] - [ -0.0122260800000000, -0.0267878700000000, -0.0045831300000000 ] - [ -0.0122260800000000, 0.0267878700000000, -0.0045831300000000 ] - [ -0.0121718000000000, 0.0000000000000000, 0.0189306800000000 ] - [ -0.0034588400000000, 0.0000000000000000, 0.0018833300000000 ] - [ 0.0010242900000000, 0.0000000000000000, 0.0000246400000000 ] - [ 0.0008076900000000, 0.0000000000000000, -0.0004650500000000 ] - [ -0.0001042100000000, -0.0009102500000000, 0.0007649500000000 ] - [ -0.0001042100000000, 0.0009102500000000, 0.0007649500000000 ] - [ 0.0004292600000000, 0.0005780600000000, 0.0008386800000000 ] - [ 0.0004292600000000, -0.0005780600000000, 0.0008386800000000 ] - [ -0.0101348500000000, 0.0000000000000000, -0.0124737200000000 ] - [ -0.0004099500000000, 0.0000000000000000, -0.0021789500000000 ] - [ -0.0003452900000000, 0.0000761600000000, -0.0001915500000000 ] - [ -0.0002719600000000, 0.0000662900000000, -0.0002310400000000 ] - [ -0.0002719600000000, -0.0000662900000000, -0.0002310400000000 ] - [ -0.0003452900000000, -0.0000761600000000, -0.0001915500000000 ] - [ -0.0004612600000000, 0.0004125600000000, -0.0004260700000000 ] - [ -0.0004612600000000, -0.0004125600000000, -0.0004260700000000 ] - [ 0.0041219100000000, -0.0004885400000000, -0.0104570200000000 ] - [ 0.0041219100000000, 0.0004885400000000, -0.0104570200000000 ] - [ 0.0000224400000000, -0.0008745000000000, 0.0059185300000000 ] - [ 0.0000224400000000, 0.0008745000000000, 0.0059185300000000 ] - [ 0.0007364200000000, 0.0000000000000000, -0.0012987400000000 ] - [ 0.0001844100000000, 0.0000000000000000, 0.0004101900000000 ] - [ -0.0005823500000000, 0.0004359900000000, 0.0000837200000000 ] - [ -0.0007722900000000, 0.0000665400000000, 0.0002246500000000 ] - [ 0.0026962900000000, -0.0035704700000000, -0.0013432900000000 ] - [ 0.0081159900000000, -0.0015528200000000, -0.0033999600000000 ] - [ -0.0010397300000000, -0.0002412000000000, 0.0000990900000000 ] - [ -0.0073137900000000, -0.0051740800000000, 0.0008862800000000 ] - [ 0.0081159900000000, 0.0015528200000000, -0.0033999600000000 ] - [ 0.0026962900000000, 0.0035704700000000, -0.0013432900000000 ] - [ -0.0007722900000000, -0.0000665400000000, 0.0002246500000000 ] - [ -0.0005823500000000, -0.0004359900000000, 0.0000837200000000 ] - [ -0.0006967900000000, -0.0031258400000000, -0.0011343500000000 ] - [ -0.0009588500000000, 0.0063759200000000, 0.0011026300000000 ] - [ -0.0036076300000000, 0.0000000000000000, 0.0215082700000000 ] - [ -0.0001656000000000, 0.0000000000000000, 0.0025592000000000 ] - [ -0.0009588500000000, -0.0063759200000000, 0.0011026300000000 ] - [ -0.0006967900000000, 0.0031258400000000, -0.0011343500000000 ] - [ -0.0073137900000000, 0.0051740800000000, 0.0008862800000000 ] - [ -0.0010397300000000, 0.0002412000000000, 0.0000990900000000 ] - [ -0.0076493300000000, -0.0054656800000000, 0.0008047000000000 ] - [ -0.0009435800000000, 0.0000637000000000, 0.0004069500000000 ] - [ -0.0009435800000000, -0.0000637000000000, 0.0004069500000000 ] - [ -0.0076493300000000, 0.0054656800000000, 0.0008047000000000 ] - [ -0.0011238200000000, -0.0003171800000000, -0.0001951500000000 ] - [ -0.0011238200000000, 0.0003171800000000, -0.0001951500000000 ] - [ -0.0014941400000000, 0.0032839800000000, -0.0013152600000000 ] - [ -0.0005641500000000, -0.0065576600000000, 0.0038801700000000 ] - [ -0.0005641500000000, 0.0065576600000000, 0.0038801700000000 ] - [ -0.0014941400000000, -0.0032839800000000, -0.0013152600000000 ] - [ 0.0024395100000000, 0.0000000000000000, -0.0160845900000000 ] - [ 0.0001083000000000, 0.0000000000000000, -0.0021215400000000 ] - [ -0.0004503700000000, 0.0000000000000000, 0.0000299900000000 ] - [ 0.0000294800000000, 0.0000000000000000, 0.0005078900000000 ] - [ 0.0009703300000000, 0.0000000000000000, -0.0020415600000000 ] - [ -0.0000851400000000, 0.0000000000000000, 0.0005350100000000 ] - [ 0.0002181100000000, 0.0009601100000000, 0.0064530400000000 ] - [ 0.0002181100000000, -0.0009601100000000, 0.0064530400000000 ] - [ 0.0094245200000000, -0.0008778000000000, -0.0050414900000000 ] - [ 0.0033117100000000, -0.0033619400000000, -0.0024094600000000 ] - [ -0.0007769500000000, 0.0003617900000000, 0.0001251600000000 ] - [ -0.0007376600000000, 0.0005482900000000, 0.0000660700000000 ] - [ 0.0001119000000000, -0.0007787500000000, -0.0022133400000000 ] - [ 0.0003071000000000, 0.0006793400000000, -0.0006867300000000 ] - [ -0.0007376600000000, -0.0005482900000000, 0.0000660700000000 ] - [ -0.0007769500000000, -0.0003617900000000, 0.0001251600000000 ] - [ 0.0033117100000000, 0.0033619400000000, -0.0024094600000000 ] - [ 0.0094245200000000, 0.0008778000000000, -0.0050414900000000 ] - [ -0.0003474800000000, -0.0000885300000000, -0.0002909900000000 ] - [ -0.0003672900000000, -0.0003968000000000, -0.0001431000000000 ] - [ 0.0001557200000000, -0.0000012800000000, -0.0007568200000000 ] - [ 0.0001557200000000, 0.0000012800000000, -0.0007568200000000 ] - [ -0.0003672900000000, 0.0003968000000000, -0.0001431000000000 ] - [ -0.0003474800000000, 0.0000885300000000, -0.0002909900000000 ] - [ 0.0003071000000000, -0.0006793400000000, -0.0006867300000000 ] - [ 0.0001119000000000, 0.0007787500000000, -0.0022133400000000 ] - [ 0.0008382700000000, 0.0004399400000000, -0.0001802000000000 ] - [ 0.0002273700000000, -0.0009516100000000, -0.0018064600000000 ] - [ 0.0002273700000000, 0.0009516100000000, -0.0018064600000000 ] - [ 0.0008382700000000, -0.0004399400000000, -0.0001802000000000 ]- atom: 3 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0059403400000000, 0.0151870000000000, -0.0006867900000000 ] - [ 0.0059403400000000, -0.0151870000000000, -0.0006867900000000 ] - [ -0.0849196400000000, 0.0000000000000000, 0.0017330500000000 ] - [ -0.0013579900000000, 0.0000000000000000, -0.0007620200000000 ] - [ 0.0068947300000000, 0.0000000000000000, -0.0000889000000000 ] - [ 0.0007815600000000, 0.0000000000000000, 0.0000874400000000 ] - [ 0.0024647500000000, -0.0001374700000000, 0.0008447700000000 ] - [ 0.0024647500000000, 0.0001374700000000, 0.0008447700000000 ] - [ 0.0070761800000000, 0.0028595300000000, 0.0031648800000000 ] - [ 0.0070761800000000, -0.0028595300000000, 0.0031648800000000 ] - [ 0.0057535400000000, -0.0036121300000000, 0.0033138000000000 ] - [ 0.0057535400000000, 0.0036121300000000, 0.0033138000000000 ] - [ 0.0033795400000000, 0.0000000000000000, 0.0082066000000000 ] - [ 0.0029441700000000, 0.0000000000000000, 0.0021552500000000 ] - [ 0.0202536100000000, 0.0000000000000000, 0.0322915100000000 ] - [ 0.0002150100000000, 0.0000000000000000, 0.0013166300000000 ] - [ -0.0253085200000000, -0.0006212900000000, -0.0022047800000000 ] - [ -0.0253085200000000, 0.0006212900000000, -0.0022047800000000 ] - [ 0.0039447100000000, 0.0034929800000000, -0.0012609700000000 ] - [ 0.0039447100000000, -0.0034929800000000, -0.0012609700000000 ] - [ 0.0253523200000000, 0.0000000000000000, -0.0403710700000000 ] - [ -0.0031624000000000, 0.0000000000000000, -0.0023193300000000 ] - [ 0.0228085100000000, 0.0000000000000000, -0.0379238800000000 ] - [ -0.0018423000000000, 0.0000000000000000, -0.0021299400000000 ] - [ -0.0234591600000000, -0.0060008300000000, -0.0004618000000000 ] - [ -0.0234591600000000, 0.0060008300000000, -0.0004618000000000 ] - [ 0.0031465300000000, -0.0040096800000000, -0.0001552100000000 ] - [ 0.0031465300000000, 0.0040096800000000, -0.0001552100000000 ] - [ 0.0036968800000000, 0.0000000000000000, 0.0063800300000000 ] - [ 0.0029344600000000, 0.0000000000000000, 0.0009047200000000 ] - [ 0.0228696200000000, 0.0000000000000000, 0.0296000000000000 ] - [ 0.0002584400000000, 0.0000000000000000, 0.0001344700000000 ] - [ -0.0018207400000000, -0.0005764900000000, -0.0006515300000000 ] - [ -0.0018207400000000, 0.0005764900000000, -0.0006515300000000 ] - [ -0.0064412800000000, 0.0051723200000000, -0.0019412300000000 ] - [ -0.0003425700000000, -0.0005252500000000, -0.0003332100000000 ] - [ -0.0064412800000000, -0.0051723200000000, -0.0019412300000000 ] - [ -0.0003425700000000, 0.0005252500000000, -0.0003332100000000 ] - [ -0.0017328400000000, 0.0000000000000000, -0.0028397700000000 ] - [ -0.0008219300000000, 0.0000000000000000, -0.0007719600000000 ] - [ 0.0018165100000000, 0.0000000000000000, -0.0015361500000000 ] - [ 0.0005987500000000, 0.0000000000000000, 0.0005920900000000 ] - [ -0.0001055700000000, 0.0000000000000000, -0.0102383000000000 ] - [ -0.0003149500000000, 0.0000000000000000, -0.0011661800000000 ] - [ -0.0007108300000000, 0.0000078800000000, -0.0043613400000000 ] - [ -0.0007108300000000, -0.0000078800000000, -0.0043613400000000 ] - [ -0.0023270600000000, 0.0008036400000000, -0.0009246900000000 ] - [ -0.0016367300000000, 0.0011546200000000, -0.0003022700000000 ] - [ -0.0061772900000000, 0.0057812000000000, -0.0022312400000000 ] - [ -0.0007727700000000, -0.0006730100000000, -0.0008898700000000 ] - [ -0.0013159700000000, -0.0002563000000000, -0.0005915400000000 ] - [ -0.0018411900000000, -0.0013244400000000, -0.0000060100000000 ] - [ -0.0061772900000000, -0.0057812000000000, -0.0022312400000000 ] - [ -0.0007727700000000, 0.0006730100000000, -0.0008898700000000 ] - [ -0.0023270600000000, -0.0008036400000000, -0.0009246900000000 ] - [ -0.0016367300000000, -0.0011546200000000, -0.0003022700000000 ] - [ 0.0114572500000000, 0.0099840500000000, -0.0049274000000000 ] - [ 0.0021633300000000, -0.0005818600000000, -0.0002344000000000 ] - [ 0.0013255600000000, -0.0001329300000000, 0.0019299200000000 ] - [ 0.0013255600000000, 0.0001329300000000, 0.0019299200000000 ] - [ 0.0114572500000000, -0.0099840500000000, -0.0049274000000000 ] - [ 0.0021633300000000, 0.0005818600000000, -0.0002344000000000 ] - [ -0.0013159700000000, 0.0002563000000000, -0.0005915400000000 ] - [ -0.0018411900000000, 0.0013244400000000, -0.0000060100000000 ] - [ 0.0099912000000000, 0.0089118600000000, 0.0059549000000000 ] - [ 0.0025017200000000, 0.0010181800000000, 0.0006320200000000 ] - [ 0.0099912000000000, -0.0089118600000000, 0.0059549000000000 ] - [ 0.0025017200000000, -0.0010181800000000, 0.0006320200000000 ] - [ -0.0143755400000000, 0.0000000000000000, 0.0004307700000000 ] - [ 0.0000765800000000, 0.0000000000000000, 0.0009140000000000 ] - [ -0.0048892000000000, 0.0039195200000000, 0.0022333000000000 ] - [ 0.0004269200000000, -0.0014677100000000, 0.0004321400000000 ] - [ -0.0048892000000000, -0.0039195200000000, 0.0022333000000000 ] - [ 0.0004269200000000, 0.0014677100000000, 0.0004321400000000 ] - [ 0.0081933300000000, -0.0006387400000000, 0.0019333100000000 ] - [ 0.0081933300000000, 0.0006387400000000, 0.0019333100000000 ] - [ -0.0009910300000000, 0.0008022500000000, -0.0002019900000000 ] - [ -0.0009910300000000, -0.0008022500000000, -0.0002019900000000 ] - [ 0.0009557500000000, 0.0001966600000000, 0.0005946100000000 ] - [ 0.0009557500000000, -0.0001966600000000, 0.0005946100000000 ] - [ -0.0019693500000000, 0.0000000000000000, 0.0202904300000000 ] - [ 0.0003041400000000, 0.0000000000000000, 0.0015115700000000 ] - [ 0.0081112200000000, -0.0078781600000000, 0.0056933100000000 ] - [ 0.0032287500000000, -0.0003758300000000, 0.0006563400000000 ] - [ -0.0045901400000000, 0.0040502300000000, 0.0019095200000000 ] - [ 0.0010292100000000, -0.0013566700000000, -0.0001232300000000 ] - [ 0.0102128600000000, 0.0102335800000000, -0.0043860500000000 ] - [ 0.0006891000000000, -0.0004946800000000, 0.0004978700000000 ] - [ -0.0045901400000000, -0.0040502300000000, 0.0019095200000000 ] - [ 0.0010292100000000, 0.0013566700000000, -0.0001232300000000 ] - [ 0.0081112200000000, 0.0078781600000000, 0.0056933100000000 ] - [ 0.0032287500000000, 0.0003758300000000, 0.0006563400000000 ] - [ -0.0014048000000000, -0.0001235700000000, -0.0004856800000000 ] - [ -0.0017195600000000, -0.0012801100000000, -0.0000587000000000 ] - [ -0.0003421000000000, 0.0000000000000000, -0.0092119100000000 ] - [ 0.0000656700000000, 0.0000000000000000, -0.0009561800000000 ] - [ -0.0014048000000000, 0.0001235700000000, -0.0004856800000000 ] - [ -0.0017195600000000, 0.0012801100000000, -0.0000587000000000 ] - [ 0.0102128600000000, -0.0102335800000000, -0.0043860500000000 ] - [ 0.0006891000000000, 0.0004946800000000, 0.0004978700000000 ] - [ -0.0029378400000000, -0.0020851500000000, -0.0004455900000000 ] - [ -0.0020785500000000, -0.0015340900000000, -0.0000416500000000 ] - [ -0.0029378400000000, 0.0020851500000000, -0.0004455900000000 ] - [ -0.0020785500000000, 0.0015340900000000, -0.0000416500000000 ]- atom: 3 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0056505000000000, -0.0153577700000000, 0.0003755300000000 ] - [ -0.0056505000000000, 0.0153577700000000, 0.0003755300000000 ] - [ 0.0869178000000000, 0.0000000000000000, -0.0014928600000000 ] - [ 0.0024137600000000, 0.0000000000000000, 0.0008848300000000 ] - [ -0.0065579800000000, 0.0000000000000000, -0.0002211300000000 ] - [ -0.0004752700000000, 0.0000000000000000, -0.0003979200000000 ] - [ -0.0014299800000000, 0.0001403600000000, -0.0007130000000000 ] - [ -0.0014299800000000, -0.0001403600000000, -0.0007130000000000 ] - [ -0.0074555000000000, -0.0028760700000000, -0.0035032800000000 ] - [ -0.0074555000000000, 0.0028760700000000, -0.0035032800000000 ] - [ -0.0050800200000000, 0.0035857400000000, -0.0029986500000000 ] - [ -0.0050800200000000, -0.0035857400000000, -0.0029986500000000 ] - [ -0.0031827500000000, 0.0000000000000000, -0.0069162200000000 ] - [ -0.0027454000000000, 0.0000000000000000, -0.0008499600000000 ] - [ -0.0194627500000000, 0.0000000000000000, -0.0326597900000000 ] - [ 0.0007396800000000, 0.0000000000000000, -0.0012958300000000 ] - [ 0.0251831600000000, 0.0006970000000000, 0.0021161100000000 ] - [ 0.0251831600000000, -0.0006970000000000, 0.0021161100000000 ] - [ -0.0039534800000000, -0.0035062200000000, 0.0009120900000000 ] - [ -0.0039534800000000, 0.0035062200000000, 0.0009120900000000 ] - [ -0.0255001600000000, 0.0000000000000000, 0.0395702300000000 ] - [ 0.0027594000000000, 0.0000000000000000, 0.0019792200000000 ] - [ -0.0222761400000000, 0.0000000000000000, 0.0386045700000000 ] - [ 0.0025308900000000, 0.0000000000000000, 0.0024473600000000 ] - [ 0.0236079500000000, 0.0060764300000000, 0.0016177900000000 ] - [ 0.0236079500000000, -0.0060764300000000, 0.0016177900000000 ] - [ -0.0022200400000000, 0.0039845500000000, 0.0001456100000000 ] - [ -0.0022200400000000, -0.0039845500000000, 0.0001456100000000 ] - [ -0.0037962400000000, 0.0000000000000000, -0.0065909900000000 ] - [ -0.0030419700000000, 0.0000000000000000, -0.0011328100000000 ] - [ -0.0227197200000000, 0.0000000000000000, -0.0295771900000000 ] - [ -0.0003062500000000, 0.0000000000000000, -0.0005254100000000 ] - [ 0.0009171000000000, 0.0005805200000000, 0.0010477600000000 ] - [ 0.0009171000000000, -0.0005805200000000, 0.0010477600000000 ] - [ 0.0063396900000000, -0.0053581900000000, 0.0016532300000000 ] - [ 0.0002761300000000, 0.0003130900000000, 0.0000579200000000 ] - [ 0.0063396900000000, 0.0053581900000000, 0.0016532300000000 ] - [ 0.0002761300000000, -0.0003130900000000, 0.0000579200000000 ] - [ 0.0016195500000000, 0.0000000000000000, 0.0024432000000000 ] - [ 0.0007097400000000, 0.0000000000000000, 0.0003707600000000 ] - [ -0.0027578100000000, 0.0000000000000000, 0.0023526800000000 ] - [ -0.0004266500000000, 0.0000000000000000, 0.0002016500000000 ] - [ -0.0004490400000000, 0.0000000000000000, 0.0104673200000000 ] - [ -0.0002223200000000, 0.0000000000000000, 0.0013443900000000 ] - [ 0.0007166400000000, -0.0000038400000000, 0.0035042800000000 ] - [ 0.0007166400000000, 0.0000038400000000, 0.0035042800000000 ] - [ 0.0025903400000000, -0.0008899000000000, 0.0007199800000000 ] - [ 0.0018961300000000, -0.0012321500000000, 0.0000994000000000 ] - [ 0.0060990100000000, -0.0055811500000000, 0.0019840300000000 ] - [ 0.0006727800000000, 0.0008934400000000, 0.0006263400000000 ] - [ 0.0009015700000000, -0.0001317200000000, 0.0007368500000000 ] - [ 0.0014303200000000, 0.0009389400000000, 0.0001531400000000 ] - [ 0.0060990100000000, 0.0055811500000000, 0.0019840300000000 ] - [ 0.0006727800000000, -0.0008934400000000, 0.0006263400000000 ] - [ 0.0025903400000000, 0.0008899000000000, 0.0007199800000000 ] - [ 0.0018961300000000, 0.0012321500000000, 0.0000994000000000 ] - [ -0.0121320600000000, -0.0103624400000000, 0.0047356200000000 ] - [ -0.0026123000000000, 0.0001214400000000, 0.0001981100000000 ] - [ -0.0009016300000000, 0.0001389100000000, -0.0020974900000000 ] - [ -0.0009016300000000, -0.0001389100000000, -0.0020974900000000 ] - [ -0.0121320600000000, 0.0103624400000000, 0.0047356200000000 ] - [ -0.0026123000000000, -0.0001214400000000, 0.0001981100000000 ] - [ 0.0009015700000000, 0.0001317200000000, 0.0007368500000000 ] - [ 0.0014303200000000, -0.0009389400000000, 0.0001531400000000 ] - [ -0.0098477600000000, -0.0091992200000000, -0.0057279000000000 ] - [ -0.0025771000000000, -0.0012689400000000, -0.0002702800000000 ] - [ -0.0098477600000000, 0.0091992200000000, -0.0057279000000000 ] - [ -0.0025771000000000, 0.0012689400000000, -0.0002702800000000 ] - [ 0.0136546100000000, 0.0000000000000000, -0.0000419200000000 ] - [ -0.0009744800000000, 0.0000000000000000, -0.0005096800000000 ] - [ 0.0048171100000000, -0.0041262000000000, -0.0025328900000000 ] - [ -0.0005110200000000, 0.0012763800000000, -0.0007115000000000 ] - [ 0.0048171100000000, 0.0041262000000000, -0.0025328900000000 ] - [ -0.0005110200000000, -0.0012763800000000, -0.0007115000000000 ] - [ -0.0083163900000000, 0.0005518300000000, -0.0023201000000000 ] - [ -0.0083163900000000, -0.0005518300000000, -0.0023201000000000 ] - [ 0.0011714100000000, -0.0007985900000000, 0.0010052200000000 ] - [ 0.0011714100000000, 0.0007985900000000, 0.0010052200000000 ] - [ -0.0014940500000000, -0.0001907900000000, -0.0003653900000000 ] - [ -0.0014940500000000, 0.0001907900000000, -0.0003653900000000 ] - [ 0.0019684400000000, 0.0000000000000000, -0.0211469700000000 ] - [ -0.0002973600000000, 0.0000000000000000, -0.0023686500000000 ] - [ -0.0080974800000000, 0.0077499600000000, -0.0057442700000000 ] - [ -0.0029806500000000, 0.0003012500000000, -0.0008559300000000 ] - [ 0.0044801000000000, -0.0038253200000000, -0.0021528000000000 ] - [ -0.0011128300000000, 0.0015575000000000, -0.0001396500000000 ] - [ -0.0103886300000000, -0.0106430100000000, 0.0046717700000000 ] - [ -0.0010761300000000, 0.0001296100000000, -0.0003484400000000 ] - [ 0.0044801000000000, 0.0038253200000000, -0.0021528000000000 ] - [ -0.0011128300000000, -0.0015575000000000, -0.0001396500000000 ] - [ -0.0080974800000000, -0.0077499600000000, -0.0057442700000000 ] - [ -0.0029806500000000, -0.0003012500000000, -0.0008559300000000 ] - [ 0.0009772800000000, -0.0003199600000000, 0.0004548300000000 ] - [ 0.0012906700000000, 0.0008318500000000, 0.0000297700000000 ] - [ 0.0007729900000000, 0.0000000000000000, 0.0090493700000000 ] - [ 0.0003601500000000, 0.0000000000000000, 0.0008422300000000 ] - [ 0.0009772800000000, 0.0003199600000000, 0.0004548300000000 ] - [ 0.0012906700000000, -0.0008318500000000, 0.0000297700000000 ] - [ -0.0103886300000000, 0.0106430100000000, 0.0046717700000000 ] - [ -0.0010761300000000, -0.0001296100000000, -0.0003484400000000 ] - [ 0.0028490700000000, 0.0018218100000000, 0.0008103100000000 ] - [ 0.0019937300000000, 0.0012787000000000, 0.0004106200000000 ] - [ 0.0028490700000000, -0.0018218100000000, 0.0008103100000000 ] - [ 0.0019937300000000, -0.0012787000000000, 0.0004106200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0152771800000000, 0.0075299100000000, -0.0002686800000000 ] - [ -0.0151635300000000, 0.0075600700000000, -0.0000472100000000 ] - [ 0.0006402400000000, -0.0685643800000000, 0.0000525600000000 ] - [ 0.0005305700000000, 0.0154815700000000, 0.0000576600000000 ] - [ 0.0001292100000000, -0.0009263800000000, -0.0001527500000000 ] - [ 0.0001485700000000, 0.0008621800000000, -0.0001553300000000 ] - [ 0.0006621900000000, 0.0000585300000000, 0.0000627000000000 ] - [ 0.0003974700000000, 0.0000497900000000, 0.0000650800000000 ] - [ 0.0007052500000000, 0.0001109300000000, 0.0008956100000000 ] - [ -0.0010812000000000, 0.0000884300000000, -0.0012412800000000 ] - [ 0.0000621100000000, 0.0000429900000000, -0.0001354700000000 ] - [ 0.0005974700000000, 0.0000224200000000, 0.0004511100000000 ] - [ 0.0000865400000000, -0.0023291500000000, 0.0006555700000000 ] - [ 0.0000945900000000, 0.0020482300000000, 0.0006428900000000 ] - [ 0.0005080000000000, -0.0212317400000000, 0.0000961500000000 ] - [ 0.0004527100000000, 0.0083994600000000, 0.0000048800000000 ] - [ -0.0037011200000000, 0.0232887300000000, 0.0256786000000000 ] - [ 0.0036116000000000, 0.0234132900000000, -0.0262397700000000 ] - [ 0.0011542400000000, 0.0005139500000000, 0.0050012800000000 ] - [ -0.0011579400000000, 0.0004893200000000, -0.0053845100000000 ] - [ -0.0002353900000000, -0.0260679600000000, -0.0001216200000000 ] - [ -0.0001736000000000, 0.0088141000000000, -0.0001757600000000 ] - [ 0.0003771200000000, -0.0265707500000000, 0.0000890500000000 ] - [ 0.0003172600000000, 0.0101384000000000, 0.0001603600000000 ] - [ -0.0004895600000000, 0.0247728900000000, -0.0295351300000000 ] - [ 0.0006947200000000, 0.0249412300000000, 0.0312335200000000 ] - [ 0.0003309500000000, 0.0003871300000000, -0.0057563500000000 ] - [ 0.0005884800000000, 0.0003588500000000, 0.0057968600000000 ] - [ -0.0000504100000000, -0.0021555900000000, -0.0001141300000000 ] - [ -0.0000485700000000, 0.0018717300000000, -0.0001056800000000 ] - [ -0.0000372000000000, -0.0214481900000000, -0.0002458800000000 ] - [ 0.0000174200000000, 0.0082916700000000, -0.0001821300000000 ] - [ -0.0010184000000000, -0.0000108400000000, -0.0012338100000000 ] - [ 0.0001137800000000, -0.0000065200000000, 0.0016435200000000 ] - [ -0.0004195400000000, 0.0016562600000000, -0.0001199000000000 ] - [ 0.0001892800000000, -0.0010811700000000, -0.0002308400000000 ] - [ 0.0003620300000000, 0.0018776000000000, -0.0001496000000000 ] - [ -0.0002724000000000, -0.0008827300000000, -0.0000434900000000 ] - [ -0.0000603100000000, 0.0004946400000000, -0.0002025000000000 ] - [ -0.0000601500000000, -0.0004477200000000, -0.0002033800000000 ] - [ 0.0000596300000000, 0.0111067000000000, 0.0003930100000000 ] - [ 0.0000992600000000, -0.0030544700000000, 0.0004035800000000 ] - [ -0.0002660100000000, 0.0015700900000000, 0.0000793100000000 ] - [ -0.0002667700000000, -0.0006854400000000, 0.0001020500000000 ] - [ -0.0000053100000000, 0.0000072500000000, -0.0007929300000000 ] - [ 0.0000123400000000, 0.0000098900000000, -0.0000772900000000 ] - [ -0.0001156300000000, 0.0003184400000000, -0.0001661800000000 ] - [ 0.0002305700000000, -0.0003110500000000, -0.0000364900000000 ] - [ 0.0006398200000000, 0.0025954900000000, 0.0005892400000000 ] - [ -0.0001803500000000, -0.0015297600000000, -0.0008957500000000 ] - [ 0.0010068800000000, 0.0009305800000000, 0.0003903900000000 ] - [ -0.0013012800000000, -0.0012755500000000, -0.0001568300000000 ] - [ -0.0007387500000000, 0.0023625900000000, -0.0008520800000000 ] - [ 0.0001082700000000, -0.0017280400000000, 0.0006426800000000 ] - [ 0.0003750900000000, 0.0003908700000000, -0.0000489300000000 ] - [ 0.0000304400000000, -0.0002329200000000, -0.0001791600000000 ] - [ 0.0051841400000000, 0.0061467600000000, 0.0041090600000000 ] - [ -0.0041794300000000, -0.0070591500000000, -0.0015363500000000 ] - [ 0.0004411700000000, -0.0008693100000000, -0.0082118500000000 ] - [ -0.0000226400000000, -0.0008669800000000, 0.0081246200000000 ] - [ -0.0056654900000000, 0.0063419000000000, -0.0042844000000000 ] - [ 0.0037551600000000, -0.0066196900000000, 0.0015435500000000 ] - [ -0.0014199500000000, 0.0013044100000000, -0.0002522500000000 ] - [ 0.0008836200000000, -0.0008928700000000, 0.0002958400000000 ] - [ 0.0098265100000000, 0.0105836100000000, -0.0036432400000000 ] - [ -0.0050597400000000, -0.0068173200000000, 0.0010095000000000 ] - [ -0.0098726900000000, 0.0110590000000000, 0.0038575700000000 ] - [ 0.0049539300000000, -0.0065509300000000, -0.0006193000000000 ] - [ -0.0004309300000000, 0.0056002800000000, 0.0002075000000000 ] - [ -0.0004593300000000, -0.0016157700000000, 0.0002015000000000 ] - [ 0.0002300700000000, 0.0023763800000000, -0.0003383200000000 ] - [ 0.0006680300000000, -0.0023376600000000, 0.0002170200000000 ] - [ -0.0003202400000000, 0.0025558600000000, 0.0000657700000000 ] - [ -0.0007238300000000, -0.0021171700000000, -0.0004944100000000 ] - [ -0.0021643800000000, -0.0155879000000000, 0.0020125300000000 ] - [ 0.0020710200000000, -0.0152805200000000, -0.0024303300000000 ] - [ 0.0003024600000000, 0.0000082500000000, 0.0014701200000000 ] - [ -0.0001141800000000, 0.0000123200000000, -0.0006699100000000 ] - [ -0.0010958000000000, -0.0007916200000000, 0.0091119500000000 ] - [ 0.0005664800000000, -0.0007889300000000, -0.0089570000000000 ] - [ 0.0000038100000000, 0.0028794200000000, -0.0004326300000000 ] - [ 0.0000035000000000, -0.0011397300000000, -0.0004357700000000 ] - [ -0.0096138900000000, 0.0100835400000000, 0.0056023900000000 ] - [ 0.0049007300000000, -0.0069549000000000, -0.0025353100000000 ] - [ -0.0009495900000000, 0.0022818600000000, 0.0004002600000000 ] - [ 0.0009816200000000, -0.0017506600000000, -0.0005284600000000 ] - [ 0.0069803500000000, 0.0073465100000000, 0.0037239700000000 ] - [ -0.0053882000000000, -0.0079992900000000, -0.0008538600000000 ] - [ 0.0008831500000000, 0.0020945900000000, -0.0006618000000000 ] - [ -0.0010793200000000, -0.0019693000000000, 0.0002708500000000 ] - [ 0.0098295000000000, 0.0103829800000000, -0.0056887100000000 ] - [ -0.0046279200000000, -0.0068640500000000, 0.0022988000000000 ] - [ 0.0005100200000000, 0.0006360100000000, 0.0004759100000000 ] - [ -0.0008455400000000, -0.0010846100000000, -0.0003376300000000 ] - [ 0.0002059900000000, 0.0016569200000000, -0.0000489100000000 ] - [ 0.0002065400000000, -0.0007298700000000, -0.0000651900000000 ] - [ -0.0009411200000000, 0.0010830700000000, -0.0004968500000000 ] - [ 0.0004165800000000, -0.0006445000000000, 0.0003150900000000 ] - [ -0.0073599300000000, 0.0079548900000000, -0.0034381200000000 ] - [ 0.0049605400000000, -0.0076125400000000, 0.0009716700000000 ] - [ 0.0005255100000000, 0.0004807800000000, 0.0003761900000000 ] - [ -0.0004871100000000, -0.0006263100000000, 0.0000250500000000 ] - [ -0.0006226900000000, 0.0007418600000000, -0.0000066500000000 ] - [ 0.0003856500000000, -0.0003554800000000, 0.0003437500000000 ]- atom: 3 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0036792700000000, -0.0088525800000000, -0.0074596400000000 ] - [ -0.0036792700000000, 0.0088525800000000, -0.0074596400000000 ] - [ 0.0510782200000000, 0.0000000000000000, -0.0674563800000000 ] - [ 0.0009247100000000, 0.0000000000000000, -0.0037680900000000 ] - [ -0.0035853800000000, 0.0000000000000000, -0.0012845300000000 ] - [ 0.0000061900000000, 0.0000000000000000, -0.0006660800000000 ] - [ 0.0000396200000000, 0.0000837300000000, -0.0000406100000000 ] - [ 0.0000396200000000, -0.0000837300000000, -0.0000406100000000 ] - [ -0.0006346700000000, -0.0005273200000000, -0.0012675300000000 ] - [ -0.0006346700000000, 0.0005273200000000, -0.0012675300000000 ] - [ 0.0002331500000000, 0.0010845100000000, -0.0007515700000000 ] - [ 0.0002331500000000, -0.0010845100000000, -0.0007515700000000 ] - [ -0.0005386300000000, 0.0000000000000000, 0.0005692900000000 ] - [ -0.0003127100000000, 0.0000000000000000, 0.0010863900000000 ] - [ 0.0124074300000000, 0.0000000000000000, -0.0184235100000000 ] - [ 0.0038966600000000, 0.0000000000000000, -0.0012936200000000 ] - [ 0.0130781000000000, 0.0265994000000000, 0.0046834100000000 ] - [ 0.0130781000000000, -0.0265994000000000, 0.0046834100000000 ] - [ -0.0053465900000000, -0.0031523700000000, 0.0050382700000000 ] - [ -0.0053465900000000, 0.0031523700000000, 0.0050382700000000 ] - [ -0.0481506600000000, 0.0000000000000000, 0.0282531500000000 ] - [ -0.0044858500000000, 0.0000000000000000, 0.0001988100000000 ] - [ -0.0430887300000000, 0.0000000000000000, 0.0300513700000000 ] - [ -0.0025441100000000, 0.0000000000000000, 0.0015229300000000 ] - [ 0.0113962300000000, -0.0236507500000000, 0.0044709500000000 ] - [ 0.0113962300000000, 0.0236507500000000, 0.0044709500000000 ] - [ -0.0036591900000000, 0.0032059700000000, 0.0046089200000000 ] - [ -0.0036591900000000, -0.0032059700000000, 0.0046089200000000 ] - [ -0.0008327300000000, 0.0000000000000000, 0.0004343700000000 ] - [ -0.0006467200000000, 0.0000000000000000, 0.0007182900000000 ] - [ 0.0122004700000000, 0.0000000000000000, -0.0188259400000000 ] - [ 0.0042013700000000, 0.0000000000000000, -0.0015964700000000 ] - [ 0.0001742200000000, 0.0003058400000000, 0.0006421300000000 ] - [ 0.0001742200000000, -0.0003058400000000, 0.0006421300000000 ] - [ -0.0000560300000000, -0.0011050500000000, 0.0019042000000000 ] - [ -0.0009629000000000, 0.0005221700000000, 0.0002189800000000 ] - [ -0.0000560300000000, 0.0011050500000000, 0.0019042000000000 ] - [ -0.0009629000000000, -0.0005221700000000, 0.0002189800000000 ] - [ 0.0004720600000000, 0.0000000000000000, 0.0002096600000000 ] - [ 0.0000049900000000, 0.0000000000000000, -0.0002950500000000 ] - [ -0.0008318300000000, 0.0000000000000000, 0.0159474200000000 ] - [ -0.0000339400000000, 0.0000000000000000, 0.0023503000000000 ] - [ -0.0013412200000000, 0.0000000000000000, 0.0023440900000000 ] - [ -0.0004355800000000, 0.0000000000000000, -0.0003083900000000 ] - [ 0.0000551300000000, -0.0000209000000000, 0.0003257100000000 ] - [ 0.0000551300000000, 0.0000209000000000, 0.0003257100000000 ] - [ 0.0003045800000000, 0.0000770400000000, 0.0001671200000000 ] - [ 0.0003213300000000, -0.0002537500000000, 0.0000275000000000 ] - [ -0.0003491400000000, -0.0004921000000000, 0.0022063800000000 ] - [ -0.0005071800000000, 0.0009297100000000, 0.0006409300000000 ] - [ 0.0005310400000000, 0.0000902100000000, -0.0001830500000000 ] - [ 0.0005048400000000, 0.0002697200000000, -0.0001406700000000 ] - [ -0.0003491400000000, 0.0004921000000000, 0.0022063800000000 ] - [ -0.0005071800000000, -0.0009297100000000, 0.0006409300000000 ] - [ 0.0003045800000000, -0.0000770400000000, 0.0001671200000000 ] - [ 0.0003213300000000, 0.0002537500000000, 0.0000275000000000 ] - [ -0.0098406800000000, -0.0013980400000000, 0.0050436000000000 ] - [ -0.0033902900000000, -0.0034016900000000, 0.0023032600000000 ] - [ -0.0000098600000000, -0.0009676900000000, -0.0069825500000000 ] - [ -0.0000098600000000, 0.0009676900000000, -0.0069825500000000 ] - [ -0.0098406800000000, 0.0013980400000000, 0.0050436000000000 ] - [ -0.0033902900000000, 0.0034016900000000, 0.0023032600000000 ] - [ 0.0005310400000000, -0.0000902100000000, -0.0001830500000000 ] - [ 0.0005048400000000, -0.0002697200000000, -0.0001406700000000 ] - [ -0.0002834800000000, -0.0069232700000000, -0.0035086200000000 ] - [ 0.0014684300000000, 0.0033270300000000, 0.0013905500000000 ] - [ -0.0002834800000000, 0.0069232700000000, -0.0035086200000000 ] - [ 0.0014684300000000, -0.0033270300000000, 0.0013905500000000 ] - [ 0.0085596200000000, 0.0000000000000000, 0.0137849100000000 ] - [ -0.0005273700000000, 0.0000000000000000, 0.0025986400000000 ] - [ 0.0077312300000000, -0.0055908300000000, -0.0007771100000000 ] - [ 0.0008149600000000, 0.0001093400000000, -0.0003479400000000 ] - [ 0.0077312300000000, 0.0055908300000000, -0.0007771100000000 ] - [ 0.0008149600000000, -0.0001093400000000, -0.0003479400000000 ] - [ -0.0040513900000000, 0.0007738600000000, 0.0104056200000000 ] - [ -0.0040513900000000, -0.0007738600000000, 0.0104056200000000 ] - [ 0.0005087400000000, -0.0004285700000000, 0.0005892100000000 ] - [ 0.0005087400000000, 0.0004285700000000, 0.0005892100000000 ] - [ -0.0005467400000000, 0.0008468700000000, -0.0057952700000000 ] - [ -0.0005467400000000, -0.0008468700000000, -0.0057952700000000 ] - [ 0.0038324700000000, 0.0000000000000000, -0.0223254300000000 ] - [ 0.0003861900000000, 0.0000000000000000, -0.0031206400000000 ] - [ 0.0022512200000000, 0.0066687300000000, -0.0022502400000000 ] - [ 0.0006309600000000, -0.0029061200000000, 0.0009303600000000 ] - [ 0.0070824500000000, -0.0048519000000000, -0.0008670400000000 ] - [ 0.0008254700000000, 0.0000441800000000, -0.0001402300000000 ] - [ -0.0083103400000000, -0.0015635300000000, 0.0032410300000000 ] - [ -0.0029714800000000, -0.0039441400000000, 0.0012006500000000 ] - [ 0.0070824500000000, 0.0048519000000000, -0.0008670400000000 ] - [ 0.0008254700000000, -0.0000441800000000, -0.0001402300000000 ] - [ 0.0022512200000000, -0.0066687300000000, -0.0022502400000000 ] - [ 0.0006309600000000, 0.0029061200000000, 0.0009303600000000 ] - [ 0.0006719400000000, -0.0001620500000000, -0.0003293800000000 ] - [ 0.0004879900000000, 0.0002449900000000, -0.0001935500000000 ] - [ -0.0005950900000000, 0.0000000000000000, 0.0010964800000000 ] - [ 0.0000111000000000, 0.0000000000000000, -0.0008967300000000 ] - [ 0.0006719400000000, 0.0001620500000000, -0.0003293800000000 ] - [ 0.0004879900000000, -0.0002449900000000, -0.0001935500000000 ] - [ -0.0083103400000000, 0.0015635300000000, 0.0032410300000000 ] - [ -0.0029714800000000, 0.0039441400000000, 0.0012006500000000 ] - [ 0.0002765500000000, 0.0000718300000000, 0.0002550800000000 ] - [ 0.0001955700000000, 0.0000393200000000, 0.0002885100000000 ] - [ 0.0002765500000000, -0.0000718300000000, 0.0002550800000000 ] - [ 0.0001955700000000, -0.0000393200000000, 0.0002885100000000 ]- atom: 3 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0039958800000000, 0.0088128300000000, 0.0070799000000000 ] - [ 0.0039958800000000, -0.0088128300000000, 0.0070799000000000 ] - [ -0.0498475700000000, 0.0000000000000000, 0.0676535200000000 ] - [ 0.0001375900000000, 0.0000000000000000, 0.0038975400000000 ] - [ 0.0038998200000000, 0.0000000000000000, 0.0009861700000000 ] - [ 0.0002967300000000, 0.0000000000000000, 0.0003578700000000 ] - [ 0.0010062100000000, -0.0000824500000000, 0.0001697300000000 ] - [ 0.0010062100000000, 0.0000824500000000, 0.0001697300000000 ] - [ 0.0002689200000000, 0.0005374700000000, 0.0009166700000000 ] - [ 0.0002689200000000, -0.0005374700000000, 0.0009166700000000 ] - [ 0.0004219900000000, -0.0010820300000000, 0.0010713500000000 ] - [ 0.0004219900000000, 0.0010820300000000, 0.0010713500000000 ] - [ 0.0007115600000000, 0.0000000000000000, 0.0007379200000000 ] - [ 0.0004899000000000, 0.0000000000000000, 0.0002108200000000 ] - [ -0.0113452500000000, 0.0000000000000000, 0.0185027900000000 ] - [ -0.0029652800000000, 0.0000000000000000, 0.0013231700000000 ] - [ -0.0133952700000000, -0.0267389700000000, -0.0048350700000000 ] - [ -0.0133952700000000, 0.0267389700000000, -0.0048350700000000 ] - [ 0.0053237400000000, 0.0031357300000000, -0.0054193700000000 ] - [ 0.0053237400000000, -0.0031357300000000, -0.0054193700000000 ] - [ 0.0484433400000000, 0.0000000000000000, -0.0288421300000000 ] - [ 0.0041101400000000, 0.0000000000000000, -0.0005367600000000 ] - [ 0.0432015700000000, 0.0000000000000000, -0.0295352500000000 ] - [ 0.0032231900000000, 0.0000000000000000, -0.0012102700000000 ] - [ -0.0110418100000000, 0.0235652000000000, -0.0032752500000000 ] - [ -0.0110418100000000, -0.0235652000000000, -0.0032752500000000 ] - [ 0.0046040200000000, -0.0032314800000000, -0.0046000100000000 ] - [ 0.0046040200000000, 0.0032314800000000, -0.0046000100000000 ] - [ 0.0007451000000000, 0.0000000000000000, -0.0006709300000000 ] - [ 0.0005552100000000, 0.0000000000000000, -0.0009455700000000 ] - [ -0.0123560400000000, 0.0000000000000000, 0.0184584700000000 ] - [ -0.0042192700000000, 0.0000000000000000, 0.0012143200000000 ] - [ -0.0010804800000000, -0.0003046800000000, -0.0002281900000000 ] - [ -0.0010804800000000, 0.0003046800000000, -0.0002281900000000 ] - [ -0.0000079800000000, 0.0008974600000000, -0.0021897600000000 ] - [ 0.0008911500000000, -0.0007229700000000, -0.0004936400000000 ] - [ -0.0000079800000000, -0.0008974600000000, -0.0021897600000000 ] - [ 0.0008911500000000, 0.0007229700000000, -0.0004936400000000 ] - [ -0.0006028600000000, 0.0000000000000000, -0.0006058600000000 ] - [ -0.0001327100000000, 0.0000000000000000, -0.0001002600000000 ] - [ 0.0005835500000000, 0.0000000000000000, -0.0149757200000000 ] - [ 0.0002284400000000, 0.0000000000000000, -0.0015534100000000 ] - [ 0.0007988500000000, 0.0000000000000000, -0.0021691000000000 ] - [ -0.0000996000000000, 0.0000000000000000, 0.0004890100000000 ] - [ -0.0000499300000000, 0.0000211800000000, -0.0011860300000000 ] - [ -0.0000499300000000, -0.0000211800000000, -0.0011860300000000 ] - [ -0.0000402900000000, -0.0001587200000000, -0.0003858800000000 ] - [ -0.0000557800000000, 0.0001715200000000, -0.0002430300000000 ] - [ 0.0002514100000000, 0.0007203200000000, -0.0024613100000000 ] - [ 0.0004221300000000, -0.0007166400000000, -0.0008972700000000 ] - [ -0.0009411300000000, -0.0004646200000000, 0.0003218300000000 ] - [ -0.0009188900000000, -0.0006461300000000, 0.0002838100000000 ] - [ 0.0002514100000000, -0.0007203200000000, -0.0024613100000000 ] - [ 0.0004221300000000, 0.0007166400000000, -0.0008972700000000 ] - [ -0.0000402900000000, 0.0001587200000000, -0.0003858800000000 ] - [ -0.0000557800000000, -0.0001715200000000, -0.0002430300000000 ] - [ 0.0094356900000000, 0.0010388300000000, -0.0051700600000000 ] - [ 0.0029666100000000, 0.0029505300000000, -0.0023411100000000 ] - [ 0.0004396000000000, 0.0009794800000000, 0.0068441100000000 ] - [ 0.0004396000000000, -0.0009794800000000, 0.0068441100000000 ] - [ 0.0094356900000000, -0.0010388300000000, -0.0051700600000000 ] - [ 0.0029666100000000, -0.0029505300000000, -0.0023411100000000 ] - [ -0.0009411300000000, 0.0004646200000000, 0.0003218300000000 ] - [ -0.0009188900000000, 0.0006461300000000, 0.0002838100000000 ] - [ 0.0005319100000000, 0.0065384800000000, 0.0035028800000000 ] - [ -0.0015522500000000, -0.0035923200000000, -0.0010272200000000 ] - [ 0.0005319100000000, -0.0065384800000000, 0.0035028800000000 ] - [ -0.0015522500000000, 0.0035923200000000, -0.0010272200000000 ] - [ -0.0093676800000000, 0.0000000000000000, -0.0135699800000000 ] - [ -0.0003756500000000, 0.0000000000000000, -0.0022005800000000 ] - [ -0.0077777900000000, 0.0053711300000000, 0.0005158900000000 ] - [ -0.0008901300000000, -0.0003039700000000, 0.0000743100000000 ] - [ -0.0077777900000000, -0.0053711300000000, 0.0005158900000000 ] - [ -0.0008901300000000, 0.0003039700000000, 0.0000743100000000 ] - [ 0.0039084600000000, -0.0008743800000000, -0.0107906400000000 ] - [ 0.0039084600000000, 0.0008743800000000, -0.0107906400000000 ] - [ -0.0003108500000000, 0.0004307000000000, 0.0002040000000000 ] - [ -0.0003108500000000, -0.0004307000000000, 0.0002040000000000 ] - [ -0.0000025100000000, -0.0008377200000000, 0.0060198200000000 ] - [ -0.0000025100000000, 0.0008377200000000, 0.0060198200000000 ] - [ -0.0038300300000000, 0.0000000000000000, 0.0214885900000000 ] - [ -0.0003796200000000, 0.0000000000000000, 0.0022630500000000 ] - [ -0.0023153000000000, -0.0068737600000000, 0.0024334700000000 ] - [ -0.0003914300000000, 0.0028231900000000, -0.0011358900000000 ] - [ -0.0072122000000000, 0.0050886500000000, 0.0005986500000000 ] - [ -0.0009112300000000, 0.0001634000000000, -0.0001205100000000 ] - [ 0.0078995800000000, 0.0011097300000000, -0.0030006600000000 ] - [ 0.0025616700000000, 0.0035717300000000, -0.0010484900000000 ] - [ -0.0072122000000000, -0.0050886500000000, 0.0005986500000000 ] - [ -0.0009112300000000, -0.0001634000000000, -0.0001205100000000 ] - [ -0.0023153000000000, 0.0068737600000000, 0.0024334700000000 ] - [ -0.0003914300000000, -0.0028231900000000, -0.0011358900000000 ] - [ -0.0011143300000000, -0.0002910200000000, 0.0003122500000000 ] - [ -0.0009247300000000, -0.0006977600000000, 0.0001739900000000 ] - [ 0.0010195800000000, 0.0000000000000000, -0.0012004600000000 ] - [ 0.0004102000000000, 0.0000000000000000, 0.0007825500000000 ] - [ -0.0011143300000000, 0.0002910200000000, 0.0003122500000000 ] - [ -0.0009247300000000, 0.0006977600000000, 0.0001739900000000 ] - [ 0.0078995800000000, -0.0011097300000000, -0.0030006600000000 ] - [ 0.0025616700000000, -0.0035717300000000, -0.0010484900000000 ] - [ -0.0003704600000000, -0.0003264300000000, 0.0001176600000000 ] - [ -0.0002907800000000, -0.0002981900000000, 0.0000843200000000 ] - [ -0.0003704600000000, 0.0003264300000000, 0.0001176600000000 ] - [ -0.0002907800000000, 0.0002981900000000, 0.0000843200000000 ]- atom: 9 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0234120100000000, 0.0000000000000000, 0.0317071100000000 ] - [ 0.0004966700000000, 0.0000000000000000, 0.0051505800000000 ] - [ 0.0078133200000000, 0.0009031700000000, 0.0046274900000000 ] - [ 0.0078133200000000, -0.0009031700000000, 0.0046274900000000 ] - [ 0.0039527800000000, -0.0011012200000000, -0.0038959600000000 ] - [ 0.0039527800000000, 0.0011012200000000, -0.0038959600000000 ] - [ 0.0257525900000000, 0.0000000000000000, -0.0410113100000000 ] - [ -0.0024564800000000, 0.0000000000000000, -0.0072904200000000 ] - [ -0.2730525000000000, 0.0000000000000000, 0.0030703700000000 ] - [ -0.0461950000000000, 0.0000000000000000, -0.0050601400000000 ] - [ -0.0047706000000000, 0.0000000000000000, -0.0099019000000000 ] - [ -0.0025312700000000, 0.0000000000000000, -0.0047165900000000 ] - [ -0.0038877700000000, -0.0007033600000000, -0.0292808100000000 ] - [ -0.0038877700000000, 0.0007033600000000, -0.0292808100000000 ] - [ 0.0456346200000000, 0.0644923100000000, -0.0108768500000000 ] - [ 0.0456346200000000, -0.0644923100000000, -0.0108768500000000 ] - [ 0.0210608400000000, 0.0000000000000000, -0.0016388700000000 ] - [ 0.0139985400000000, 0.0000000000000000, 0.0002825800000000 ] - [ -0.0106823700000000, 0.0000000000000000, -0.0070527300000000 ] - [ -0.0047050200000000, 0.0000000000000000, -0.0052559900000000 ] - [ 0.0155901200000000, 0.0000121100000000, 0.0061804200000000 ] - [ 0.0155901200000000, -0.0000121100000000, 0.0061804200000000 ] - [ 0.0009683000000000, 0.0015792800000000, 0.0115570000000000 ] - [ 0.0009683000000000, -0.0015792800000000, 0.0115570000000000 ] - [ 0.0097584500000000, 0.0000000000000000, 0.0125934200000000 ] - [ 0.0092567200000000, 0.0000000000000000, 0.0095027000000000 ] - [ 0.0209943000000000, 0.0000000000000000, 0.0043897600000000 ] - [ 0.0145695800000000, 0.0000000000000000, 0.0028373300000000 ] - [ 0.0478279100000000, -0.0631343200000000, 0.0058278600000000 ] - [ 0.0478279100000000, 0.0631343200000000, 0.0058278600000000 ] - [ 0.0049030300000000, -0.0004838000000000, 0.0186144500000000 ] - [ 0.0049030300000000, 0.0004838000000000, 0.0186144500000000 ] - [ 0.0177556000000000, 0.0000000000000000, 0.0082896800000000 ] - [ 0.0039792900000000, 0.0000000000000000, 0.0040728200000000 ] - [ 0.0009339700000000, -0.0011142900000000, -0.0006699900000000 ] - [ 0.0001994600000000, -0.0008471900000000, -0.0004206500000000 ] - [ 0.0001994600000000, 0.0008471900000000, -0.0004206500000000 ] - [ 0.0009339700000000, 0.0011142900000000, -0.0006699900000000 ] - [ -0.0028047100000000, 0.0050512100000000, 0.0150803600000000 ] - [ -0.0028047100000000, -0.0050512100000000, 0.0150803600000000 ] - [ -0.0057479300000000, -0.0047773400000000, -0.0112203500000000 ] - [ -0.0057479300000000, 0.0047773400000000, -0.0112203500000000 ] - [ -0.0041020100000000, -0.0030984300000000, 0.0266524500000000 ] - [ -0.0041020100000000, 0.0030984300000000, 0.0266524500000000 ] - [ 0.0085810100000000, 0.0000000000000000, 0.0012577800000000 ] - [ 0.0025371600000000, 0.0000000000000000, 0.0036077100000000 ] - [ 0.0015023800000000, -0.0003993000000000, 0.0035803800000000 ] - [ 0.0013561300000000, -0.0021729000000000, 0.0050317600000000 ] - [ 0.0149608000000000, -0.0172936600000000, -0.0006468000000000 ] - [ 0.0163264900000000, -0.0020563000000000, 0.0074162200000000 ] - [ 0.0019552700000000, -0.0000048000000000, 0.0031374700000000 ] - [ 0.0034610200000000, -0.0000696500000000, 0.0046000100000000 ] - [ 0.0163264900000000, 0.0020563000000000, 0.0074162200000000 ] - [ 0.0149608000000000, 0.0172936600000000, -0.0006468000000000 ] - [ 0.0013561300000000, 0.0021729000000000, 0.0050317600000000 ] - [ 0.0015023800000000, 0.0003993000000000, 0.0035803800000000 ] - [ -0.0107848100000000, -0.0092740500000000, -0.0020604700000000 ] - [ -0.0148429900000000, -0.0036199400000000, -0.0010266100000000 ] - [ -0.0002377500000000, 0.0000000000000000, 0.0054602600000000 ] - [ -0.0003699400000000, 0.0000000000000000, 0.0036586000000000 ] - [ -0.0148429900000000, 0.0036199400000000, -0.0010266100000000 ] - [ -0.0107848100000000, 0.0092740500000000, -0.0020604700000000 ] - [ 0.0034610200000000, 0.0000696500000000, 0.0046000100000000 ] - [ 0.0019552700000000, 0.0000048000000000, 0.0031374700000000 ] - [ -0.0086121300000000, -0.0051032900000000, -0.0007157800000000 ] - [ -0.0063100900000000, -0.0038303300000000, -0.0007238700000000 ] - [ -0.0063100900000000, 0.0038303300000000, -0.0007238700000000 ] - [ -0.0086121300000000, 0.0051032900000000, -0.0007157800000000 ] - [ -0.0032730600000000, 0.0000043600000000, -0.0056759400000000 ] - [ -0.0032730600000000, -0.0000043600000000, -0.0056759400000000 ] - [ 0.0017676400000000, -0.0012067400000000, -0.0009482000000000 ] - [ 0.0030417700000000, -0.0009749700000000, -0.0023981300000000 ] - [ 0.0030417700000000, 0.0009749700000000, -0.0023981300000000 ] - [ 0.0017676400000000, 0.0012067400000000, -0.0009482000000000 ] - [ -0.0050211300000000, 0.0000000000000000, -0.0059352800000000 ] - [ -0.0031916700000000, 0.0000000000000000, -0.0053466400000000 ] - [ -0.0031633400000000, 0.0000000000000000, 0.0037554400000000 ] - [ -0.0012611300000000, 0.0000000000000000, 0.0034718000000000 ] - [ -0.0016940300000000, 0.0000000000000000, -0.0085045800000000 ] - [ -0.0012924500000000, 0.0000000000000000, -0.0069015900000000 ] - [ -0.0008682900000000, -0.0000732400000000, -0.0062157100000000 ] - [ -0.0008682900000000, 0.0000732400000000, -0.0062157100000000 ] - [ -0.0035218300000000, 0.0003241200000000, -0.0039884900000000 ] - [ -0.0034325000000000, 0.0025920400000000, -0.0031409400000000 ] - [ -0.0082795600000000, 0.0047800300000000, -0.0005823800000000 ] - [ -0.0060860300000000, 0.0035685300000000, -0.0005237900000000 ] - [ -0.0049876600000000, -0.0026837300000000, -0.0023268600000000 ] - [ -0.0051955000000000, -0.0030695200000000, -0.0022877500000000 ] - [ -0.0060860300000000, -0.0035685300000000, -0.0005237900000000 ] - [ -0.0082795600000000, -0.0047800300000000, -0.0005823800000000 ] - [ -0.0034325000000000, -0.0025920400000000, -0.0031409400000000 ] - [ -0.0035218300000000, -0.0003241200000000, -0.0039884900000000 ] - [ -0.0159948700000000, -0.0028759500000000, 0.0026535800000000 ] - [ -0.0110591900000000, -0.0109358500000000, 0.0036911400000000 ] - [ -0.0018918100000000, 0.0035824400000000, -0.0204748100000000 ] - [ -0.0018918100000000, -0.0035824400000000, -0.0204748100000000 ] - [ -0.0110591900000000, 0.0109358500000000, 0.0036911400000000 ] - [ -0.0159948700000000, 0.0028759500000000, 0.0026535800000000 ] - [ -0.0051955000000000, 0.0030695200000000, -0.0022877500000000 ] - [ -0.0049876600000000, 0.0026837300000000, -0.0023268600000000 ] - [ 0.0141045100000000, 0.0171589100000000, 0.0018532500000000 ] - [ 0.0296191900000000, 0.0194807400000000, -0.0076486300000000 ] - [ 0.0296191900000000, -0.0194807400000000, -0.0076486300000000 ] - [ 0.0141045100000000, -0.0171589100000000, 0.0018532500000000 ]- atom: 9 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0227853900000000, 0.0000000000000000, -0.0315642100000000 ] - [ -0.0001773000000000, 0.0000000000000000, -0.0054494500000000 ] - [ -0.0067243300000000, -0.0008789100000000, -0.0044809700000000 ] - [ -0.0067243300000000, 0.0008789100000000, -0.0044809700000000 ] - [ -0.0036623400000000, 0.0011003500000000, 0.0036001000000000 ] - [ -0.0036623400000000, -0.0011003500000000, 0.0036001000000000 ] - [ -0.0250893100000000, 0.0000000000000000, 0.0415503600000000 ] - [ 0.0034934500000000, 0.0000000000000000, 0.0074025400000000 ] - [ 0.2743063800000000, 0.0000000000000000, -0.0055022800000000 ] - [ 0.0456830400000000, 0.0000000000000000, 0.0046842900000000 ] - [ 0.0054053900000000, 0.0000000000000000, 0.0106543500000000 ] - [ 0.0031643200000000, 0.0000000000000000, 0.0050202400000000 ] - [ 0.0040469900000000, 0.0006585100000000, 0.0304870600000000 ] - [ 0.0040469900000000, -0.0006585100000000, 0.0304870600000000 ] - [ -0.0443146000000000, -0.0639788600000000, 0.0107987300000000 ] - [ -0.0443146000000000, 0.0639788600000000, 0.0107987300000000 ] - [ -0.0210158900000000, 0.0000000000000000, 0.0014104900000000 ] - [ -0.0140431000000000, 0.0000000000000000, -0.0005124900000000 ] - [ 0.0106088700000000, 0.0000000000000000, 0.0064557300000000 ] - [ 0.0046718000000000, 0.0000000000000000, 0.0048764300000000 ] - [ -0.0158929800000000, 0.0000058500000000, -0.0064949600000000 ] - [ -0.0158929800000000, -0.0000058500000000, -0.0064949600000000 ] - [ -0.0003376000000000, -0.0015866900000000, -0.0111754200000000 ] - [ -0.0003376000000000, 0.0015866900000000, -0.0111754200000000 ] - [ -0.0095311500000000, 0.0000000000000000, -0.0112466000000000 ] - [ -0.0090270800000000, 0.0000000000000000, -0.0081781800000000 ] - [ -0.0200052000000000, 0.0000000000000000, -0.0043691400000000 ] - [ -0.0135905500000000, 0.0000000000000000, -0.0028161700000000 ] - [ -0.0479755000000000, 0.0632178400000000, -0.0060328100000000 ] - [ -0.0479755000000000, -0.0632178400000000, -0.0060328100000000 ] - [ -0.0048473900000000, 0.0004586800000000, -0.0189459200000000 ] - [ -0.0048473900000000, -0.0004586800000000, -0.0189459200000000 ] - [ -0.0187498800000000, 0.0000000000000000, -0.0088713000000000 ] - [ -0.0048710000000000, 0.0000000000000000, -0.0036591000000000 ] - [ -0.0010604400000000, 0.0009639900000000, 0.0003780200000000 ] - [ -0.0002736200000000, 0.0006365500000000, 0.0001486000000000 ] - [ -0.0002736200000000, -0.0006365500000000, 0.0001486000000000 ] - [ -0.0010604400000000, -0.0009639900000000, 0.0003780200000000 ] - [ 0.0027175100000000, -0.0050709600000000, -0.0154653000000000 ] - [ 0.0027175100000000, 0.0050709600000000, -0.0154653000000000 ] - [ 0.0058916300000000, 0.0047259400000000, 0.0119789600000000 ] - [ 0.0058916300000000, -0.0047259400000000, 0.0119789600000000 ] - [ 0.0035309500000000, 0.0030648200000000, -0.0263753300000000 ] - [ 0.0035309500000000, -0.0030648200000000, -0.0263753300000000 ] - [ -0.0087110300000000, 0.0000000000000000, -0.0013605600000000 ] - [ -0.0025218600000000, 0.0000000000000000, -0.0044560000000000 ] - [ -0.0012266300000000, 0.0003138800000000, -0.0037843100000000 ] - [ -0.0010330800000000, 0.0020396200000000, -0.0052676200000000 ] - [ -0.0150402300000000, 0.0174117100000000, 0.0003793800000000 ] - [ -0.0144829800000000, 0.0002700700000000, -0.0073384800000000 ] - [ -0.0023567300000000, -0.0003637600000000, -0.0029843400000000 ] - [ -0.0038953000000000, -0.0003237900000000, -0.0044224700000000 ] - [ -0.0144829800000000, -0.0002700700000000, -0.0073384800000000 ] - [ -0.0150402300000000, -0.0174117100000000, 0.0003793800000000 ] - [ -0.0010330800000000, -0.0020396200000000, -0.0052676200000000 ] - [ -0.0012266300000000, -0.0003138800000000, -0.0037843100000000 ] - [ 0.0103308600000000, 0.0088160900000000, 0.0020412000000000 ] - [ 0.0143069600000000, 0.0031740300000000, 0.0009931400000000 ] - [ 0.0006609700000000, 0.0000000000000000, -0.0056098800000000 ] - [ 0.0007877600000000, 0.0000000000000000, -0.0037875700000000 ] - [ 0.0143069600000000, -0.0031740300000000, 0.0009931400000000 ] - [ 0.0103308600000000, -0.0088160900000000, 0.0020412000000000 ] - [ -0.0038953000000000, 0.0003237900000000, -0.0044224700000000 ] - [ -0.0023567300000000, 0.0003637600000000, -0.0029843400000000 ] - [ 0.0084697200000000, 0.0048108000000000, 0.0010798800000000 ] - [ 0.0061929200000000, 0.0035623800000000, 0.0010894000000000 ] - [ 0.0061929200000000, -0.0035623800000000, 0.0010894000000000 ] - [ 0.0084697200000000, -0.0048108000000000, 0.0010798800000000 ] - [ 0.0023467100000000, -0.0000024400000000, 0.0060418300000000 ] - [ 0.0023467100000000, 0.0000024400000000, 0.0060418300000000 ] - [ -0.0018322200000000, 0.0009950500000000, 0.0006702500000000 ] - [ -0.0030655400000000, 0.0007442400000000, 0.0021404300000000 ] - [ -0.0030655400000000, -0.0007442400000000, 0.0021404300000000 ] - [ -0.0018322200000000, -0.0009950500000000, 0.0006702500000000 ] - [ 0.0048770800000000, 0.0000000000000000, 0.0055022500000000 ] - [ 0.0030603200000000, 0.0000000000000000, 0.0049333100000000 ] - [ 0.0033512100000000, 0.0000000000000000, -0.0029149300000000 ] - [ 0.0014476500000000, 0.0000000000000000, -0.0026619800000000 ] - [ 0.0011598200000000, 0.0000000000000000, 0.0086608400000000 ] - [ 0.0007529900000000, 0.0000000000000000, 0.0070660500000000 ] - [ 0.0008719300000000, 0.0000726600000000, 0.0053342400000000 ] - [ 0.0008719300000000, -0.0000726600000000, 0.0053342400000000 ] - [ 0.0037735100000000, -0.0004133500000000, 0.0037557800000000 ] - [ 0.0036807900000000, -0.0026625500000000, 0.0029157600000000 ] - [ 0.0081514800000000, -0.0045573300000000, 0.0003147600000000 ] - [ 0.0059699600000000, -0.0033435900000000, 0.0002591800000000 ] - [ 0.0045443700000000, 0.0022851600000000, 0.0024665500000000 ] - [ 0.0047547600000000, 0.0026782600000000, 0.0024268100000000 ] - [ 0.0059699600000000, 0.0033435900000000, 0.0002591800000000 ] - [ 0.0081514800000000, 0.0045573300000000, 0.0003147600000000 ] - [ 0.0036807900000000, 0.0026625500000000, 0.0029157600000000 ] - [ 0.0037735100000000, 0.0004133500000000, 0.0037557800000000 ] - [ 0.0155191400000000, 0.0023807600000000, -0.0026664700000000 ] - [ 0.0105755900000000, 0.0104370800000000, -0.0037038600000000 ] - [ 0.0023309400000000, -0.0036067700000000, 0.0202636500000000 ] - [ 0.0023309400000000, 0.0036067700000000, 0.0202636500000000 ] - [ 0.0105755900000000, -0.0104370800000000, -0.0037038600000000 ] - [ 0.0155191400000000, -0.0023807600000000, -0.0026664700000000 ] - [ 0.0047547600000000, -0.0026782600000000, 0.0024268100000000 ] - [ 0.0045443700000000, -0.0022851600000000, 0.0024665500000000 ] - [ -0.0141326300000000, -0.0173954000000000, -0.0014829700000000 ] - [ -0.0325087500000000, -0.0227606900000000, 0.0084289800000000 ] - [ -0.0325087500000000, 0.0227606900000000, 0.0084289800000000 ] - [ -0.0141326300000000, 0.0173954000000000, -0.0014829700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001565100000000, -0.0219056200000000, -0.0001226200000000 ] - [ 0.0001673800000000, 0.0081877700000000, -0.0001496300000000 ] - [ 0.0033924600000000, 0.0001098200000000, 0.0014337100000000 ] - [ -0.0023448900000000, 0.0001014200000000, -0.0012959900000000 ] - [ -0.0031756700000000, 0.0004842000000000, 0.0012153500000000 ] - [ 0.0034797600000000, 0.0005016900000000, -0.0015182300000000 ] - [ 0.0005108100000000, -0.0260717200000000, 0.0000757100000000 ] - [ 0.0005107600000000, 0.0088121400000000, 0.0000655200000000 ] - [ 0.0010285600000000, -0.2042403400000000, -0.0007318300000000 ] - [ -0.0001931600000000, 0.0375106800000000, -0.0001778300000000 ] - [ 0.0003304100000000, -0.0110402900000000, 0.0003578100000000 ] - [ 0.0003230800000000, 0.0097343600000000, 0.0001534600000000 ] - [ 0.0014452400000000, 0.0008313300000000, -0.0054127100000000 ] - [ -0.0012750600000000, 0.0008943700000000, 0.0066713200000000 ] - [ 0.0489910600000000, 0.0547535700000000, -0.0041295500000000 ] - [ -0.0477471900000000, 0.0545026900000000, 0.0041195400000000 ] - [ -0.0000409400000000, -0.0152429000000000, -0.0000934100000000 ] - [ -0.0000283500000000, 0.0126767300000000, -0.0001101600000000 ] - [ -0.0000225800000000, -0.0124618000000000, -0.0002524100000000 ] - [ -0.0000032900000000, 0.0085488600000000, -0.0001795700000000 ] - [ -0.0001781900000000, 0.0008912700000000, -0.0012081400000000 ] - [ -0.0001672800000000, 0.0009044800000000, 0.0008756200000000 ] - [ 0.0004064500000000, 0.0002111700000000, 0.0071447500000000 ] - [ 0.0002447600000000, 0.0002347300000000, -0.0067820900000000 ] - [ 0.0001052300000000, -0.0055788100000000, 0.0006618800000000 ] - [ 0.0001020900000000, 0.0068146800000000, 0.0006539700000000 ] - [ 0.0005041500000000, -0.0164090400000000, 0.0000081600000000 ] - [ 0.0004595000000000, 0.0133724300000000, 0.0000046600000000 ] - [ -0.0529118400000000, 0.0556573400000000, -0.0070874300000000 ] - [ 0.0526530400000000, 0.0555728400000000, 0.0069093400000000 ] - [ -0.0005822500000000, 0.0001705100000000, -0.0141663600000000 ] - [ 0.0006161300000000, 0.0002112500000000, 0.0137846300000000 ] - [ -0.0004881300000000, 0.0120398800000000, -0.0003554000000000 ] - [ -0.0004527300000000, -0.0038727900000000, 0.0002017500000000 ] - [ -0.0023716500000000, 0.0031521000000000, 0.0006743500000000 ] - [ 0.0018685300000000, -0.0030165300000000, -0.0005910700000000 ] - [ -0.0019350500000000, -0.0027997400000000, 0.0003164000000000 ] - [ 0.0022457300000000, 0.0032989800000000, -0.0009679100000000 ] - [ 0.0048969600000000, -0.0033051900000000, -0.0074295900000000 ] - [ -0.0049715500000000, -0.0033001300000000, 0.0070037700000000 ] - [ -0.0057561200000000, -0.0031058500000000, -0.0099990900000000 ] - [ 0.0058966500000000, -0.0030850000000000, 0.0107651200000000 ] - [ -0.0037262300000000, -0.0025433000000000, 0.0152160300000000 ] - [ 0.0031612800000000, -0.0025263500000000, -0.0149745400000000 ] - [ -0.0000521500000000, 0.0084774800000000, -0.0000091100000000 ] - [ 0.0000039400000000, -0.0029261100000000, -0.0004279600000000 ] - [ 0.0030241200000000, -0.0043373000000000, -0.0007082100000000 ] - [ -0.0019736700000000, 0.0040850400000000, -0.0009456900000000 ] - [ 0.0085721700000000, -0.0189226700000000, -0.0016716200000000 ] - [ 0.0007708600000000, 0.0075224000000000, -0.0032632400000000 ] - [ -0.0035887100000000, -0.0052667000000000, 0.0008671300000000 ] - [ 0.0029937000000000, 0.0045735000000000, 0.0001977600000000 ] - [ 0.0008114500000000, 0.0084194400000000, 0.0032225800000000 ] - [ -0.0087074500000000, -0.0191188600000000, 0.0014146500000000 ] - [ 0.0022835400000000, 0.0042127900000000, 0.0007130300000000 ] - [ -0.0027608300000000, -0.0042644500000000, 0.0005036300000000 ] - [ -0.0103933400000000, -0.0111078300000000, -0.0019371500000000 ] - [ 0.0130918000000000, 0.0080703700000000, 0.0013386200000000 ] - [ 0.0002147400000000, 0.0017107900000000, -0.0001041400000000 ] - [ 0.0002080800000000, -0.0012681300000000, -0.0000647800000000 ] - [ -0.0135425200000000, 0.0085061800000000, -0.0013793900000000 ] - [ 0.0099347400000000, -0.0106429200000000, 0.0019009900000000 ] - [ -0.0034316700000000, 0.0049818100000000, -0.0000170900000000 ] - [ 0.0031819300000000, -0.0048977100000000, -0.0007238100000000 ] - [ -0.0003467300000000, 0.0012736100000000, 0.0008148500000000 ] - [ -0.0006903000000000, -0.0022033100000000, -0.0006312300000000 ] - [ 0.0005757400000000, -0.0019299800000000, 0.0010002700000000 ] - [ 0.0002439400000000, 0.0015418200000000, -0.0004444300000000 ] - [ -0.0002744300000000, -0.0000260100000000, 0.0028796700000000 ] - [ -0.0006432800000000, -0.0000325100000000, -0.0024953700000000 ] - [ 0.0013143300000000, -0.0023765400000000, -0.0007586400000000 ] - [ -0.0016406000000000, 0.0025910000000000, 0.0012416800000000 ] - [ 0.0015983000000000, 0.0028219300000000, -0.0014916100000000 ] - [ -0.0013915400000000, -0.0021749200000000, 0.0004760600000000 ] - [ -0.0000597200000000, 0.0022516100000000, -0.0002082200000000 ] - [ -0.0000617600000000, -0.0025722200000000, -0.0002074600000000 ] - [ 0.0000882100000000, 0.0032108400000000, 0.0004288500000000 ] - [ 0.0000961400000000, -0.0033223400000000, 0.0003994200000000 ] - [ -0.0002685700000000, 0.0012127500000000, 0.0000862600000000 ] - [ -0.0002678300000000, -0.0012438000000000, 0.0000920400000000 ] - [ -0.0000235100000000, -0.0000550900000000, -0.0016988300000000 ] - [ 0.0000288100000000, -0.0000574500000000, 0.0008225600000000 ] - [ -0.0007566000000000, 0.0021421400000000, -0.0004363700000000 ] - [ 0.0015823000000000, -0.0024624600000000, 0.0011713800000000 ] - [ 0.0003783500000000, 0.0021039100000000, 0.0006336000000000 ] - [ 0.0004550000000000, -0.0023819800000000, -0.0009285000000000 ] - [ 0.0017546200000000, 0.0022596400000000, 0.0004061300000000 ] - [ -0.0026787000000000, -0.0031886800000000, -0.0005437400000000 ] - [ -0.0005492600000000, -0.0025903400000000, 0.0006680800000000 ] - [ -0.0005015000000000, 0.0018788400000000, -0.0008919200000000 ] - [ -0.0013268100000000, -0.0023876000000000, -0.0013886000000000 ] - [ 0.0010111400000000, 0.0022166600000000, 0.0002179800000000 ] - [ 0.0151807400000000, 0.0077681300000000, -0.0031375200000000 ] - [ -0.0107602800000000, -0.0125900300000000, 0.0031510600000000 ] - [ 0.0027275800000000, -0.0030362600000000, 0.0167951800000000 ] - [ -0.0022821100000000, -0.0030178300000000, -0.0169347800000000 ] - [ 0.0103209500000000, -0.0121463100000000, -0.0031926200000000 ] - [ -0.0156744600000000, 0.0082361400000000, 0.0031185600000000 ] - [ 0.0022474500000000, -0.0027986900000000, 0.0006829700000000 ] - [ -0.0021819500000000, 0.0026429700000000, -0.0002680600000000 ] - [ -0.0083309400000000, -0.0199949100000000, -0.0007538800000000 ] - [ 0.0181745800000000, 0.0342451800000000, -0.0059243200000000 ] - [ -0.0211151300000000, 0.0364501600000000, 0.0066338600000000 ] - [ 0.0082827200000000, -0.0197410400000000, 0.0011321500000000 ]- atom: 9 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0095882900000000, 0.0000000000000000, -0.0197733900000000 ] - [ 0.0002331800000000, 0.0000000000000000, -0.0043955700000000 ] - [ -0.0009290400000000, 0.0003655200000000, -0.0017345200000000 ] - [ -0.0009290400000000, -0.0003655200000000, -0.0017345200000000 ] - [ -0.0028350500000000, -0.0036596000000000, 0.0066517200000000 ] - [ -0.0028350500000000, 0.0036596000000000, 0.0066517200000000 ] - [ -0.0470343700000000, 0.0000000000000000, 0.0295370700000000 ] - [ 0.0004803900000000, 0.0000000000000000, 0.0034083300000000 ] - [ 0.1608677500000000, 0.0000000000000000, -0.2176899200000000 ] - [ 0.0222136100000000, 0.0000000000000000, -0.0015590700000000 ] - [ -0.0024600500000000, 0.0000000000000000, 0.1117988400000000 ] - [ -0.0021543100000000, 0.0000000000000000, 0.0018620100000000 ] - [ -0.0191572000000000, 0.0021731300000000, 0.0193053800000000 ] - [ -0.0191572000000000, -0.0021731300000000, 0.0193053800000000 ] - [ -0.0274112600000000, -0.0349134500000000, 0.0008881200000000 ] - [ -0.0274112600000000, 0.0349134500000000, 0.0008881200000000 ] - [ -0.0106624000000000, 0.0000000000000000, 0.0122674600000000 ] - [ -0.0067305000000000, 0.0000000000000000, 0.0007669700000000 ] - [ 0.0031802300000000, 0.0000000000000000, 0.0938006400000000 ] - [ -0.0013983700000000, 0.0000000000000000, 0.0022668600000000 ] - [ -0.0040270000000000, 0.0008570700000000, 0.0045011200000000 ] - [ -0.0040270000000000, -0.0008570700000000, 0.0045011200000000 ] - [ 0.0115190100000000, 0.0104381500000000, -0.0030627000000000 ] - [ 0.0115190100000000, -0.0104381500000000, -0.0030627000000000 ] - [ 0.0027844500000000, 0.0000000000000000, -0.0014435800000000 ] - [ 0.0015587100000000, 0.0000000000000000, -0.0030099100000000 ] - [ -0.0099582400000000, 0.0000000000000000, 0.0055400700000000 ] - [ -0.0057228800000000, 0.0000000000000000, 0.0001324200000000 ] - [ -0.0304697300000000, 0.0363907500000000, -0.0097668200000000 ] - [ -0.0304697300000000, -0.0363907500000000, -0.0097668200000000 ] - [ 0.0124013000000000, -0.0110516000000000, -0.0087441800000000 ] - [ 0.0124013000000000, 0.0110516000000000, -0.0087441800000000 ] - [ -0.0095550400000000, 0.0000000000000000, 0.0210214500000000 ] - [ -0.0020112800000000, 0.0000000000000000, 0.0001059800000000 ] - [ -0.0150902400000000, 0.0172161300000000, -0.0062797000000000 ] - [ 0.0008371500000000, -0.0022621700000000, -0.0001826100000000 ] - [ 0.0008371500000000, 0.0022621700000000, -0.0001826100000000 ] - [ -0.0150902400000000, -0.0172161300000000, -0.0062797000000000 ] - [ 0.0050347100000000, -0.0026449100000000, -0.0083907200000000 ] - [ 0.0050347100000000, 0.0026449100000000, -0.0083907200000000 ] - [ 0.0021739900000000, 0.0010134000000000, 0.0092341300000000 ] - [ 0.0021739900000000, -0.0010134000000000, 0.0092341300000000 ] - [ 0.0037409600000000, 0.0018475000000000, -0.0145044800000000 ] - [ 0.0037409600000000, -0.0018475000000000, -0.0145044800000000 ] - [ -0.0063919500000000, 0.0000000000000000, 0.0255853600000000 ] - [ -0.0010653900000000, 0.0000000000000000, -0.0003868800000000 ] - [ 0.0030079200000000, -0.0005943300000000, -0.0021423000000000 ] - [ 0.0155303400000000, -0.0129314500000000, -0.0117713800000000 ] - [ -0.0069783100000000, 0.0087293200000000, 0.0008609100000000 ] - [ 0.0035083300000000, -0.0077124400000000, 0.0066816900000000 ] - [ 0.0007866000000000, 0.0007691600000000, -0.0017528200000000 ] - [ 0.0164228300000000, 0.0141598600000000, -0.0105531800000000 ] - [ 0.0035083300000000, 0.0077124400000000, 0.0066816900000000 ] - [ -0.0069783100000000, -0.0087293200000000, 0.0008609100000000 ] - [ 0.0155303400000000, 0.0129314500000000, -0.0117713800000000 ] - [ 0.0030079200000000, 0.0005943300000000, -0.0021423000000000 ] - [ 0.0054407900000000, 0.0044383600000000, 0.0018256200000000 ] - [ 0.0088766300000000, 0.0033852600000000, 0.0007114100000000 ] - [ 0.0021683000000000, 0.0000000000000000, -0.0249254400000000 ] - [ 0.0007181700000000, 0.0000000000000000, -0.0031638500000000 ] - [ 0.0088766300000000, -0.0033852600000000, 0.0007114100000000 ] - [ 0.0054407900000000, -0.0044383600000000, 0.0018256200000000 ] - [ 0.0164228300000000, -0.0141598600000000, -0.0105531800000000 ] - [ 0.0007866000000000, -0.0007691600000000, -0.0017528200000000 ] - [ 0.0017072600000000, -0.0001663100000000, -0.0004780000000000 ] - [ 0.0021928400000000, 0.0013259400000000, -0.0000283500000000 ] - [ 0.0021928400000000, -0.0013259400000000, -0.0000283500000000 ] - [ 0.0017072600000000, 0.0001663100000000, -0.0004780000000000 ] - [ -0.0012841900000000, 0.0009191600000000, -0.0025698200000000 ] - [ -0.0012841900000000, -0.0009191600000000, -0.0025698200000000 ] - [ 0.0000952000000000, -0.0017918300000000, 0.0003839000000000 ] - [ -0.0172246100000000, 0.0138665500000000, -0.0070703200000000 ] - [ -0.0172246100000000, -0.0138665500000000, -0.0070703200000000 ] - [ 0.0000952000000000, 0.0017918300000000, 0.0003839000000000 ] - [ 0.0001721900000000, 0.0000000000000000, -0.0000930100000000 ] - [ 0.0007150100000000, 0.0000000000000000, 0.0023842100000000 ] - [ 0.0053392600000000, 0.0000000000000000, -0.0158153200000000 ] - [ 0.0010135900000000, 0.0000000000000000, -0.0018772200000000 ] - [ 0.0004430900000000, 0.0000000000000000, 0.0008453700000000 ] - [ -0.0001175500000000, 0.0000000000000000, 0.0028342600000000 ] - [ -0.0003549100000000, -0.0007642300000000, -0.0031721500000000 ] - [ -0.0003549100000000, 0.0007642300000000, -0.0031721500000000 ] - [ -0.0018067100000000, 0.0005655000000000, 0.0016827800000000 ] - [ -0.0018885100000000, 0.0017161900000000, 0.0018644300000000 ] - [ 0.0025821400000000, -0.0011727300000000, -0.0013177800000000 ] - [ 0.0017855300000000, -0.0013297900000000, -0.0009764500000000 ] - [ -0.0018019900000000, -0.0007683700000000, 0.0006937600000000 ] - [ -0.0016454500000000, -0.0015029600000000, 0.0009043500000000 ] - [ 0.0017855300000000, 0.0013297900000000, -0.0009764500000000 ] - [ 0.0025821400000000, 0.0011727300000000, -0.0013177800000000 ] - [ -0.0018885100000000, -0.0017161900000000, 0.0018644300000000 ] - [ -0.0018067100000000, -0.0005655000000000, 0.0016827800000000 ] - [ 0.0104253200000000, 0.0019259300000000, -0.0019621500000000 ] - [ 0.0059601000000000, 0.0052573500000000, -0.0019286900000000 ] - [ 0.0004267800000000, -0.0012972500000000, 0.0156129200000000 ] - [ 0.0004267800000000, 0.0012972500000000, 0.0156129200000000 ] - [ 0.0059601000000000, -0.0052573500000000, -0.0019286900000000 ] - [ 0.0104253200000000, -0.0019259300000000, -0.0019621500000000 ] - [ -0.0016454500000000, 0.0015029600000000, 0.0009043500000000 ] - [ -0.0018019900000000, 0.0007683700000000, 0.0006937600000000 ] - [ -0.0064566400000000, -0.0088599900000000, -0.0001131100000000 ] - [ -0.0282018900000000, -0.0217131100000000, 0.0166879400000000 ] - [ -0.0282018900000000, 0.0217131100000000, 0.0166879400000000 ] - [ -0.0064566400000000, 0.0088599900000000, -0.0001131100000000 ]- atom: 9 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0092562000000000, 0.0000000000000000, 0.0194409500000000 ] - [ 0.0000627900000000, 0.0000000000000000, 0.0040799800000000 ] - [ 0.0019780200000000, -0.0003585600000000, 0.0018528600000000 ] - [ 0.0019780200000000, 0.0003585600000000, 0.0018528600000000 ] - [ 0.0031161300000000, 0.0036814300000000, -0.0069805200000000 ] - [ 0.0031161300000000, -0.0036814300000000, -0.0069805200000000 ] - [ 0.0474147000000000, 0.0000000000000000, -0.0290689700000000 ] - [ 0.0005858100000000, 0.0000000000000000, -0.0032955900000000 ] - [ -0.1590303200000000, 0.0000000000000000, 0.2187651900000000 ] - [ -0.0225948700000000, 0.0000000000000000, 0.0012264500000000 ] - [ 0.0030948600000000, 0.0000000000000000, -0.1121618400000000 ] - [ 0.0028103700000000, 0.0000000000000000, -0.0015375400000000 ] - [ 0.0193475100000000, -0.0021062700000000, -0.0179813700000000 ] - [ 0.0193475100000000, 0.0021062700000000, -0.0179813700000000 ] - [ 0.0283309400000000, 0.0348936500000000, -0.0008119600000000 ] - [ 0.0283309400000000, -0.0348936500000000, -0.0008119600000000 ] - [ 0.0105670400000000, 0.0000000000000000, -0.0124930400000000 ] - [ 0.0066340100000000, 0.0000000000000000, -0.0009862900000000 ] - [ -0.0031369800000000, 0.0000000000000000, -0.0937292000000000 ] - [ 0.0014119100000000, 0.0000000000000000, -0.0026492700000000 ] - [ 0.0036485600000000, -0.0008460100000000, -0.0048476200000000 ] - [ 0.0036485600000000, 0.0008460100000000, -0.0048476200000000 ] - [ -0.0108414200000000, -0.0104372100000000, 0.0033526300000000 ] - [ -0.0108414200000000, 0.0104372100000000, 0.0033526300000000 ] - [ -0.0025963200000000, 0.0000000000000000, 0.0027302200000000 ] - [ -0.0013700600000000, 0.0000000000000000, 0.0043082100000000 ] - [ 0.0108702000000000, 0.0000000000000000, -0.0055571900000000 ] - [ 0.0066483500000000, 0.0000000000000000, -0.0001298200000000 ] - [ 0.0304097400000000, -0.0363855000000000, 0.0095112600000000 ] - [ 0.0304097400000000, 0.0363855000000000, 0.0095112600000000 ] - [ -0.0124447100000000, 0.0110795700000000, 0.0083518300000000 ] - [ -0.0124447100000000, -0.0110795700000000, 0.0083518300000000 ] - [ 0.0089058100000000, 0.0000000000000000, -0.0163654800000000 ] - [ 0.0011005500000000, 0.0000000000000000, 0.0003129700000000 ] - [ 0.0149944900000000, -0.0174052300000000, 0.0060839600000000 ] - [ -0.0009221700000000, 0.0020776300000000, -0.0000903500000000 ] - [ -0.0009221700000000, -0.0020776300000000, -0.0000903500000000 ] - [ 0.0149944900000000, 0.0174052300000000, 0.0060839600000000 ] - [ -0.0051355500000000, 0.0026124700000000, 0.0079858400000000 ] - [ -0.0051355500000000, -0.0026124700000000, 0.0079858400000000 ] - [ -0.0019837800000000, -0.0010121300000000, -0.0084294700000000 ] - [ -0.0019837800000000, 0.0010121300000000, -0.0084294700000000 ] - [ -0.0042770300000000, -0.0018572800000000, 0.0146214300000000 ] - [ -0.0042770300000000, 0.0018572800000000, 0.0146214300000000 ] - [ 0.0061186900000000, 0.0000000000000000, -0.0317042000000000 ] - [ 0.0010699600000000, 0.0000000000000000, -0.0004737700000000 ] - [ -0.0027421600000000, 0.0005042100000000, 0.0019426500000000 ] - [ -0.0152354900000000, 0.0128432100000000, 0.0116416200000000 ] - [ 0.0068696400000000, -0.0085119300000000, -0.0011244600000000 ] - [ -0.0035824500000000, 0.0078475800000000, -0.0068905900000000 ] - [ -0.0011952600000000, -0.0011423900000000, 0.0018934600000000 ] - [ -0.0168166800000000, -0.0144849000000000, 0.0106338300000000 ] - [ -0.0035824500000000, -0.0078475800000000, -0.0068905900000000 ] - [ 0.0068696400000000, 0.0085119300000000, -0.0011244600000000 ] - [ -0.0152354900000000, -0.0128432100000000, 0.0116416200000000 ] - [ -0.0027421600000000, -0.0005042100000000, 0.0019426500000000 ] - [ -0.0058776800000000, -0.0048811900000000, -0.0018686300000000 ] - [ -0.0093187400000000, -0.0038273900000000, -0.0007572900000000 ] - [ -0.0017427200000000, 0.0000000000000000, 0.0248241800000000 ] - [ -0.0002975000000000, 0.0000000000000000, 0.0030057200000000 ] - [ -0.0093187400000000, 0.0038273900000000, -0.0007572900000000 ] - [ -0.0058776800000000, 0.0048811900000000, -0.0018686300000000 ] - [ -0.0168166800000000, 0.0144849000000000, 0.0106338300000000 ] - [ -0.0011952600000000, 0.0011423900000000, 0.0018934600000000 ] - [ -0.0017845400000000, -0.0000764200000000, 0.0008457800000000 ] - [ -0.0022728100000000, -0.0015706300000000, 0.0003961800000000 ] - [ -0.0022728100000000, 0.0015706300000000, 0.0003961800000000 ] - [ -0.0017845400000000, 0.0000764200000000, 0.0008457800000000 ] - [ 0.0003814300000000, -0.0009219700000000, 0.0029793600000000 ] - [ 0.0003814300000000, 0.0009219700000000, 0.0029793600000000 ] - [ -0.0001940400000000, 0.0016071400000000, -0.0006580900000000 ] - [ 0.0171352100000000, -0.0140565900000000, 0.0067695100000000 ] - [ 0.0171352100000000, 0.0140565900000000, 0.0067695100000000 ] - [ -0.0001940400000000, -0.0016071400000000, -0.0006580900000000 ] - [ -0.0002903600000000, 0.0000000000000000, -0.0002970100000000 ] - [ -0.0008302400000000, 0.0000000000000000, -0.0027803600000000 ] - [ -0.0051308300000000, 0.0000000000000000, 0.0166190300000000 ] - [ -0.0008263300000000, 0.0000000000000000, 0.0026859100000000 ] - [ -0.0009780400000000, 0.0000000000000000, -0.0006351200000000 ] - [ -0.0004178000000000, 0.0000000000000000, -0.0026477900000000 ] - [ 0.0003562400000000, 0.0007619500000000, 0.0023447100000000 ] - [ 0.0003562400000000, -0.0007619500000000, 0.0023447100000000 ] - [ 0.0020654900000000, -0.0006418100000000, -0.0018771300000000 ] - [ 0.0021560700000000, -0.0018005200000000, -0.0020560000000000 ] - [ -0.0026711400000000, 0.0013831200000000, 0.0010618200000000 ] - [ -0.0018864900000000, 0.0015567000000000, 0.0007203200000000 ] - [ 0.0014043300000000, 0.0004044200000000, -0.0005500000000000 ] - [ 0.0012398400000000, 0.0011376500000000, -0.0007599300000000 ] - [ -0.0018864900000000, -0.0015567000000000, 0.0007203200000000 ] - [ -0.0026711400000000, -0.0013831200000000, 0.0010618200000000 ] - [ 0.0021560700000000, 0.0018005200000000, -0.0020560000000000 ] - [ 0.0020654900000000, 0.0006418100000000, -0.0018771300000000 ] - [ -0.0108694400000000, -0.0023973400000000, 0.0019511200000000 ] - [ -0.0064260300000000, -0.0057309300000000, 0.0018932700000000 ] - [ 0.0000078500000000, 0.0012896000000000, -0.0157912800000000 ] - [ 0.0000078500000000, -0.0012896000000000, -0.0157912800000000 ] - [ -0.0064260300000000, 0.0057309300000000, 0.0018932700000000 ] - [ -0.0108694400000000, 0.0023973400000000, 0.0019511200000000 ] - [ 0.0012398400000000, -0.0011376500000000, -0.0007599300000000 ] - [ 0.0014043300000000, -0.0004044200000000, -0.0005500000000000 ] - [ 0.0063857600000000, 0.0086213100000000, 0.0004880600000000 ] - [ 0.0272521300000000, 0.0204578000000000, -0.0165899800000000 ] - [ 0.0272521300000000, -0.0204578000000000, -0.0165899800000000 ] - [ 0.0063857600000000, -0.0086213100000000, 0.0004880600000000 ]- atom: 11 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0037916900000000, 0.0000000000000000, 0.0014099400000000 ] - [ 0.0030923200000000, 0.0000000000000000, 0.0011597800000000 ] - [ 0.0059323900000000, -0.0002657200000000, 0.0037509300000000 ] - [ 0.0059323900000000, 0.0002657200000000, 0.0037509300000000 ] - [ -0.0251122600000000, 0.0047059700000000, -0.0024419100000000 ] - [ -0.0251122600000000, -0.0047059700000000, -0.0024419100000000 ] - [ 0.0232967600000000, 0.0000000000000000, -0.0371622200000000 ] - [ -0.0016716700000000, 0.0000000000000000, -0.0050038400000000 ] - [ -0.0052320200000000, 0.0000000000000000, -0.0079442200000000 ] - [ -0.0030233400000000, 0.0000000000000000, -0.0052274700000000 ] - [ -0.2412543600000000, 0.0000000000000000, 0.0158617800000000 ] - [ -0.0325677700000000, 0.0000000000000000, -0.0025796500000000 ] - [ 0.0359163300000000, 0.0465167300000000, 0.0015516600000000 ] - [ 0.0359163300000000, -0.0465167300000000, 0.0015516600000000 ] - [ 0.0027229800000000, 0.0012247900000000, 0.0130242700000000 ] - [ 0.0027229800000000, -0.0012247900000000, 0.0130242700000000 ] - [ 0.0066722200000000, 0.0000000000000000, 0.0078969900000000 ] - [ 0.0068696400000000, 0.0000000000000000, 0.0062166200000000 ] - [ 0.0205151600000000, 0.0000000000000000, 0.0012774100000000 ] - [ 0.0138553200000000, 0.0000000000000000, 0.0013905900000000 ] - [ 0.0004682200000000, -0.0000465000000000, 0.0139461200000000 ] - [ 0.0004682200000000, 0.0000465000000000, 0.0139461200000000 ] - [ 0.0094522600000000, 0.0005647100000000, 0.0036155400000000 ] - [ 0.0094522600000000, -0.0005647100000000, 0.0036155400000000 ] - [ 0.0161691700000000, 0.0000000000000000, -0.0002813600000000 ] - [ 0.0117387500000000, 0.0000000000000000, 0.0007693400000000 ] - [ -0.0061773400000000, 0.0000000000000000, -0.0110907100000000 ] - [ -0.0019879400000000, 0.0000000000000000, -0.0042776900000000 ] - [ -0.0016455000000000, 0.0015847700000000, -0.0240457000000000 ] - [ -0.0016455000000000, -0.0015847700000000, -0.0240457000000000 ] - [ 0.0477916500000000, -0.0531575900000000, -0.0040154100000000 ] - [ 0.0477916500000000, 0.0531575900000000, -0.0040154100000000 ] - [ -0.0025416200000000, 0.0000000000000000, 0.0043574500000000 ] - [ -0.0017012300000000, 0.0000000000000000, 0.0030061900000000 ] - [ 0.0238991100000000, -0.0103384900000000, 0.0070521200000000 ] - [ 0.0131332600000000, -0.0173396500000000, -0.0009731600000000 ] - [ 0.0131332600000000, 0.0173396500000000, -0.0009731600000000 ] - [ 0.0238991100000000, 0.0103384900000000, 0.0070521200000000 ] - [ -0.0021323300000000, -0.0076081700000000, 0.0135431800000000 ] - [ -0.0021323300000000, 0.0076081700000000, 0.0135431800000000 ] - [ -0.0019788100000000, -0.0001599900000000, -0.0026664100000000 ] - [ -0.0019788100000000, 0.0001599900000000, -0.0026664100000000 ] - [ -0.0019755400000000, -0.0031217800000000, -0.0135228500000000 ] - [ -0.0019755400000000, 0.0031217800000000, -0.0135228500000000 ] - [ 0.0126735600000000, 0.0000000000000000, 0.0028060600000000 ] - [ 0.0014863100000000, 0.0000000000000000, 0.0034561000000000 ] - [ 0.0103608700000000, -0.0135253800000000, -0.0000130000000000 ] - [ 0.0384303100000000, -0.0234363200000000, 0.0011946800000000 ] - [ 0.0005507100000000, -0.0010449600000000, -0.0006477700000000 ] - [ 0.0006837200000000, -0.0008757300000000, -0.0008557200000000 ] - [ -0.0082757500000000, -0.0109403800000000, 0.0023970200000000 ] - [ -0.0132324200000000, -0.0023540800000000, 0.0002623400000000 ] - [ 0.0006837200000000, 0.0008757300000000, -0.0008557200000000 ] - [ 0.0005507100000000, 0.0010449600000000, -0.0006477700000000 ] - [ 0.0384303100000000, 0.0234363200000000, 0.0011946800000000 ] - [ 0.0103608700000000, 0.0135253800000000, -0.0000130000000000 ] - [ -0.0034484300000000, -0.0021003100000000, -0.0016926600000000 ] - [ -0.0030970600000000, -0.0014353100000000, -0.0018305900000000 ] - [ -0.0014051300000000, 0.0000000000000000, -0.0065887700000000 ] - [ -0.0009467200000000, 0.0000000000000000, -0.0057651700000000 ] - [ -0.0030970600000000, 0.0014353100000000, -0.0018305900000000 ] - [ -0.0034484300000000, 0.0021003100000000, -0.0016926600000000 ] - [ -0.0132324200000000, 0.0023540800000000, 0.0002623400000000 ] - [ -0.0082757500000000, 0.0109403800000000, 0.0023970200000000 ] - [ -0.0030161200000000, -0.0024731100000000, -0.0016965400000000 ] - [ -0.0035567000000000, -0.0030040600000000, -0.0022173500000000 ] - [ -0.0035567000000000, 0.0030040600000000, -0.0022173500000000 ] - [ -0.0030161200000000, 0.0024731100000000, -0.0016965400000000 ] - [ -0.0046164000000000, 0.0041967600000000, -0.0166396600000000 ] - [ -0.0046164000000000, -0.0041967600000000, -0.0166396600000000 ] - [ -0.0045588500000000, 0.0027395600000000, -0.0002231400000000 ] - [ -0.0065022000000000, 0.0036512500000000, -0.0002492200000000 ] - [ -0.0065022000000000, -0.0036512500000000, -0.0002492200000000 ] - [ -0.0045588500000000, -0.0027395600000000, -0.0002231400000000 ] - [ -0.0027958700000000, 0.0000000000000000, -0.0040133600000000 ] - [ -0.0024886100000000, 0.0000000000000000, -0.0034975200000000 ] - [ 0.0170018000000000, 0.0000000000000000, 0.0039570500000000 ] - [ 0.0034312900000000, 0.0000000000000000, 0.0021110700000000 ] - [ -0.0012457700000000, 0.0000000000000000, 0.0072279900000000 ] - [ -0.0010463600000000, 0.0000000000000000, 0.0041815000000000 ] - [ -0.0004179800000000, 0.0000126300000000, -0.0048212700000000 ] - [ -0.0004179800000000, -0.0000126300000000, -0.0048212700000000 ] - [ -0.0053372200000000, 0.0024664900000000, -0.0007605400000000 ] - [ -0.0044304200000000, 0.0021247200000000, -0.0006811200000000 ] - [ 0.0037747700000000, -0.0024068400000000, -0.0005312200000000 ] - [ 0.0020920300000000, -0.0002748500000000, 0.0001178900000000 ] - [ -0.0112409400000000, -0.0044535300000000, -0.0006043600000000 ] - [ -0.0104235700000000, -0.0080004100000000, -0.0011453000000000 ] - [ 0.0020920300000000, 0.0002748500000000, 0.0001178900000000 ] - [ 0.0037747700000000, 0.0024068400000000, -0.0005312200000000 ] - [ -0.0044304200000000, -0.0021247200000000, -0.0006811200000000 ] - [ -0.0053372200000000, -0.0024664900000000, -0.0007605400000000 ] - [ 0.0015896800000000, -0.0009632500000000, 0.0044653100000000 ] - [ 0.0015602900000000, 0.0001120500000000, 0.0023478700000000 ] - [ -0.0024960400000000, 0.0024037900000000, 0.0211461900000000 ] - [ -0.0024960400000000, -0.0024037900000000, 0.0211461900000000 ] - [ 0.0015602900000000, -0.0001120500000000, 0.0023478700000000 ] - [ 0.0015896800000000, 0.0009632500000000, 0.0044653100000000 ] - [ -0.0104235700000000, 0.0080004100000000, -0.0011453000000000 ] - [ -0.0112409400000000, 0.0044535300000000, -0.0006043600000000 ] - [ 0.0009273800000000, 0.0008916000000000, 0.0027771200000000 ] - [ 0.0009544300000000, 0.0030357000000000, 0.0042557300000000 ] - [ 0.0009544300000000, -0.0030357000000000, 0.0042557300000000 ] - [ 0.0009273800000000, -0.0008916000000000, 0.0027771200000000 ]- atom: 11 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0035176500000000, 0.0000000000000000, -0.0017287500000000 ] - [ -0.0027959300000000, 0.0000000000000000, -0.0014911300000000 ] - [ -0.0049068200000000, 0.0002766800000000, -0.0036382600000000 ] - [ -0.0049068200000000, -0.0002766800000000, -0.0036382600000000 ] - [ 0.0254114700000000, -0.0046518800000000, 0.0021193500000000 ] - [ 0.0254114700000000, 0.0046518800000000, 0.0021193500000000 ] - [ -0.0217935300000000, 0.0000000000000000, 0.0368625100000000 ] - [ 0.0027217100000000, 0.0000000000000000, 0.0051337700000000 ] - [ 0.0049218900000000, 0.0000000000000000, 0.0069439800000000 ] - [ 0.0026700900000000, 0.0000000000000000, 0.0048638200000000 ] - [ 0.2409300100000000, 0.0000000000000000, -0.0127545100000000 ] - [ 0.0332071900000000, 0.0000000000000000, 0.0029028200000000 ] - [ -0.0356805200000000, -0.0463584100000000, -0.0002301600000000 ] - [ -0.0356805200000000, 0.0463584100000000, -0.0002301600000000 ] - [ -0.0018614200000000, -0.0012764600000000, -0.0129756300000000 ] - [ -0.0018614200000000, 0.0012764600000000, -0.0129756300000000 ] - [ -0.0067886100000000, 0.0000000000000000, -0.0081336800000000 ] - [ -0.0069831000000000, 0.0000000000000000, -0.0064462200000000 ] - [ -0.0205364600000000, 0.0000000000000000, -0.0016929700000000 ] - [ -0.0138697100000000, 0.0000000000000000, -0.0017618200000000 ] - [ -0.0008624200000000, 0.0000646700000000, -0.0143227600000000 ] - [ -0.0008624200000000, -0.0000646700000000, -0.0143227600000000 ] - [ -0.0088192100000000, -0.0005658700000000, -0.0033088700000000 ] - [ -0.0088192100000000, 0.0005658700000000, -0.0033088700000000 ] - [ -0.0160562800000000, 0.0000000000000000, 0.0015388800000000 ] - [ -0.0115681800000000, 0.0000000000000000, 0.0005283400000000 ] - [ 0.0070776700000000, 0.0000000000000000, 0.0109380400000000 ] - [ 0.0029161000000000, 0.0000000000000000, 0.0042964000000000 ] - [ 0.0016468000000000, -0.0016144700000000, 0.0238512800000000 ] - [ 0.0016468000000000, 0.0016144700000000, 0.0238512800000000 ] - [ -0.0479648400000000, 0.0533772600000000, 0.0036614200000000 ] - [ -0.0479648400000000, -0.0533772600000000, 0.0036614200000000 ] - [ 0.0016207600000000, 0.0000000000000000, -0.0039131900000000 ] - [ 0.0007875000000000, 0.0000000000000000, -0.0025955100000000 ] - [ -0.0255419700000000, 0.0124336400000000, -0.0078048700000000 ] - [ -0.0132024500000000, 0.0171415100000000, 0.0006983000000000 ] - [ -0.0132024500000000, -0.0171415100000000, 0.0006983000000000 ] - [ -0.0255419700000000, -0.0124336400000000, -0.0078048700000000 ] - [ 0.0019779200000000, 0.0075643900000000, -0.0139355000000000 ] - [ 0.0019779200000000, -0.0075643900000000, -0.0139355000000000 ] - [ 0.0021847500000000, 0.0001645600000000, 0.0034804300000000 ] - [ 0.0021847500000000, -0.0001645600000000, 0.0034804300000000 ] - [ 0.0014262900000000, 0.0030994900000000, 0.0136924500000000 ] - [ 0.0014262900000000, -0.0030994900000000, 0.0136924500000000 ] - [ -0.0126914400000000, 0.0000000000000000, -0.0043034600000000 ] - [ -0.0014832400000000, 0.0000000000000000, -0.0042981900000000 ] - [ -0.0100890200000000, 0.0134361400000000, -0.0001959100000000 ] - [ -0.0362080000000000, 0.0208367700000000, -0.0019825700000000 ] - [ -0.0006456700000000, 0.0012624200000000, 0.0003810100000000 ] - [ -0.0006968900000000, 0.0010166300000000, 0.0006197300000000 ] - [ 0.0078634100000000, 0.0105630300000000, -0.0022524100000000 ] - [ 0.0128330400000000, 0.0020132000000000, -0.0001219900000000 ] - [ -0.0006968900000000, -0.0010166300000000, 0.0006197300000000 ] - [ -0.0006456700000000, -0.0012624200000000, 0.0003810100000000 ] - [ -0.0362080000000000, -0.0208367700000000, -0.0019825700000000 ] - [ -0.0100890200000000, -0.0134361400000000, -0.0001959100000000 ] - [ 0.0030312700000000, 0.0016593000000000, 0.0016621800000000 ] - [ 0.0026825800000000, 0.0009940100000000, 0.0017989100000000 ] - [ 0.0018230100000000, 0.0000000000000000, 0.0064677700000000 ] - [ 0.0013685400000000, 0.0000000000000000, 0.0056390100000000 ] - [ 0.0026825800000000, -0.0009940100000000, 0.0017989100000000 ] - [ 0.0030312700000000, -0.0016593000000000, 0.0016621800000000 ] - [ 0.0128330400000000, -0.0020132000000000, -0.0001219900000000 ] - [ 0.0078634100000000, -0.0105630300000000, -0.0022524100000000 ] - [ 0.0029360000000000, 0.0022151000000000, 0.0020648500000000 ] - [ 0.0034748900000000, 0.0027500100000000, 0.0025846800000000 ] - [ 0.0034748900000000, -0.0027500100000000, 0.0025846800000000 ] - [ 0.0029360000000000, -0.0022151000000000, 0.0020648500000000 ] - [ 0.0037333200000000, -0.0042296200000000, 0.0170514100000000 ] - [ 0.0037333200000000, 0.0042296200000000, 0.0170514100000000 ] - [ 0.0044838700000000, -0.0029434000000000, -0.0000448500000000 ] - [ 0.0064398000000000, -0.0038634500000000, -0.0000107900000000 ] - [ 0.0064398000000000, 0.0038634500000000, -0.0000107900000000 ] - [ 0.0044838700000000, 0.0029434000000000, -0.0000448500000000 ] - [ 0.0026887200000000, 0.0000000000000000, 0.0036333500000000 ] - [ 0.0023704600000000, 0.0000000000000000, 0.0031035000000000 ] - [ -0.0168057300000000, 0.0000000000000000, -0.0022582700000000 ] - [ -0.0032399200000000, 0.0000000000000000, -0.0013214600000000 ] - [ 0.0006996200000000, 0.0000000000000000, -0.0069612900000000 ] - [ 0.0005107500000000, 0.0000000000000000, -0.0039838300000000 ] - [ 0.0004232600000000, -0.0000126900000000, 0.0039788000000000 ] - [ 0.0004232600000000, 0.0000126900000000, 0.0039788000000000 ] - [ 0.0056218400000000, -0.0025584000000000, 0.0005627000000000 ] - [ 0.0047070000000000, -0.0022110500000000, 0.0004776000000000 ] - [ -0.0038503200000000, 0.0025920700000000, 0.0002639500000000 ] - [ -0.0021879000000000, 0.0004945600000000, -0.0003797700000000 ] - [ 0.0108485200000000, 0.0040425700000000, 0.0007549500000000 ] - [ 0.0100325300000000, 0.0076176000000000, 0.0012929200000000 ] - [ -0.0021879000000000, -0.0004945600000000, -0.0003797700000000 ] - [ -0.0038503200000000, -0.0025920700000000, 0.0002639500000000 ] - [ 0.0047070000000000, 0.0022110500000000, 0.0004776000000000 ] - [ 0.0056218400000000, 0.0025584000000000, 0.0005627000000000 ] - [ -0.0020650900000000, 0.0004617500000000, -0.0044658300000000 ] - [ -0.0020073100000000, -0.0005650700000000, -0.0023701600000000 ] - [ 0.0029314800000000, -0.0024317600000000, -0.0213027100000000 ] - [ 0.0029314800000000, 0.0024317600000000, -0.0213027100000000 ] - [ -0.0020073100000000, 0.0005650700000000, -0.0023701600000000 ] - [ -0.0020650900000000, -0.0004617500000000, -0.0044658300000000 ] - [ 0.0100325300000000, -0.0076176000000000, 0.0012929200000000 ] - [ 0.0108485200000000, -0.0040425700000000, 0.0007549500000000 ] - [ -0.0010338800000000, -0.0011576100000000, -0.0024083000000000 ] - [ -0.0011584300000000, -0.0033769600000000, -0.0038495700000000 ] - [ -0.0011584300000000, 0.0033769600000000, -0.0038495700000000 ] - [ -0.0010338800000000, 0.0011576100000000, -0.0024083000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001442600000000, -0.0021149900000000, -0.0001589000000000 ] - [ 0.0001563700000000, 0.0018716600000000, -0.0001653200000000 ] - [ -0.0031044900000000, 0.0000436600000000, -0.0011506600000000 ] - [ 0.0041113700000000, 0.0000314100000000, 0.0012651900000000 ] - [ 0.0005158800000000, 0.0237102400000000, -0.0329178100000000 ] - [ -0.0001715000000000, 0.0233516000000000, 0.0322203500000000 ] - [ 0.0005580500000000, -0.0265726400000000, 0.0000396400000000 ] - [ 0.0005310100000000, 0.0101418700000000, 0.0000678900000000 ] - [ -0.0001563700000000, -0.0110365700000000, -0.0005019600000000 ] - [ -0.0001752700000000, 0.0097303000000000, -0.0001558300000000 ] - [ 0.0003559200000000, -0.2667023000000000, 0.0017676700000000 ] - [ 0.0003218300000000, 0.0417078600000000, 0.0001586600000000 ] - [ 0.0444326900000000, 0.0419014200000000, 0.0034410900000000 ] - [ -0.0441341100000000, 0.0418695000000000, -0.0021029500000000 ] - [ 0.0006600000000000, 0.0003812800000000, 0.0108460600000000 ] - [ 0.0002207200000000, 0.0004426000000000, -0.0107959900000000 ] - [ -0.0000692400000000, -0.0065501100000000, -0.0001208200000000 ] - [ -0.0000629000000000, 0.0079478900000000, -0.0001129100000000 ] - [ -0.0000288100000000, -0.0150504300000000, -0.0002105000000000 ] - [ -0.0000049100000000, 0.0126345100000000, -0.0001857900000000 ] - [ -0.0018413600000000, 0.0002319100000000, -0.0140924200000000 ] - [ 0.0014195900000000, 0.0002133100000000, 0.0137034300000000 ] - [ -0.0002495200000000, 0.0006431400000000, -0.0009619300000000 ] - [ 0.0008892600000000, 0.0006525400000000, 0.0012545600000000 ] - [ 0.0000585200000000, -0.0192024600000000, 0.0006288600000000 ] - [ 0.0000832300000000, 0.0153850500000000, 0.0006422900000000 ] - [ 0.0004675100000000, -0.0138492900000000, -0.0000793900000000 ] - [ 0.0004626500000000, 0.0126571300000000, -0.0000045800000000 ] - [ 0.0016782500000000, -0.0003324000000000, 0.0055823600000000 ] - [ -0.0016823200000000, -0.0002869200000000, -0.0057804900000000 ] - [ -0.0629053000000000, 0.0557242200000000, 0.0003431600000000 ] - [ 0.0625605900000000, 0.0554557400000000, -0.0006666900000000 ] - [ -0.0004582900000000, 0.0021239100000000, 0.0002213600000000 ] - [ -0.0004565800000000, -0.0020478000000000, 0.0001961600000000 ] - [ -0.0128224700000000, 0.0208644600000000, -0.0112047600000000 ] - [ 0.0103702100000000, -0.0242487700000000, 0.0002643300000000 ] - [ -0.0104027100000000, -0.0240641500000000, -0.0005508900000000 ] - [ 0.0102847600000000, 0.0189486100000000, 0.0103397300000000 ] - [ -0.0058161400000000, -0.0060212800000000, 0.0091698500000000 ] - [ 0.0056434900000000, -0.0060102400000000, -0.0095526800000000 ] - [ 0.0001437100000000, -0.0000734600000000, -0.0009400000000000 ] - [ 0.0000525800000000, -0.0000804100000000, 0.0017538500000000 ] - [ -0.0026030500000000, -0.0025918100000000, -0.0125694500000000 ] - [ 0.0020453000000000, -0.0025824400000000, 0.0127493800000000 ] - [ -0.0000032600000000, 0.0132802800000000, -0.0007317200000000 ] - [ 0.0000018900000000, -0.0030545300000000, -0.0004424300000000 ] - [ 0.0028490300000000, -0.0169060400000000, -0.0008082300000000 ] - [ -0.0202566200000000, 0.0344208600000000, -0.0016925600000000 ] - [ 0.0017418900000000, -0.0027587400000000, -0.0009606900000000 ] - [ -0.0017760600000000, 0.0031936900000000, 0.0009673600000000 ] - [ -0.0099368300000000, -0.0146339900000000, 0.0025867600000000 ] - [ 0.0146894300000000, 0.0086932000000000, -0.0009508100000000 ] - [ 0.0017663800000000, 0.0030539100000000, -0.0011925900000000 ] - [ -0.0018384100000000, -0.0029807200000000, 0.0006978200000000 ] - [ 0.0230621600000000, 0.0366732700000000, 0.0008840500000000 ] - [ -0.0025990800000000, -0.0167962300000000, 0.0005976000000000 ] - [ -0.0016690900000000, -0.0026158200000000, -0.0005708100000000 ] - [ 0.0009358400000000, 0.0017890000000000, 0.0003993400000000 ] - [ 0.0002101900000000, 0.0012575600000000, -0.0000513000000000 ] - [ 0.0002092400000000, -0.0013292300000000, -0.0000577500000000 ] - [ -0.0013498700000000, 0.0022296600000000, -0.0004257300000000 ] - [ 0.0012530700000000, -0.0021794300000000, 0.0005444300000000 ] - [ -0.0150742900000000, 0.0090605800000000, 0.0010926900000000 ] - [ 0.0095384700000000, -0.0142772500000000, -0.0024603100000000 ] - [ 0.0026467100000000, 0.0027826600000000, 0.0013859000000000 ] - [ -0.0037569100000000, -0.0039695300000000, -0.0018267600000000 ] - [ 0.0036775300000000, -0.0037183300000000, 0.0022006300000000 ] - [ -0.0027211400000000, 0.0030318200000000, -0.0010080000000000 ] - [ 0.0058681800000000, -0.0040794600000000, 0.0176999100000000 ] - [ -0.0067275100000000, -0.0040536600000000, -0.0172932600000000 ] - [ 0.0008992600000000, -0.0021803500000000, -0.0003010200000000 ] - [ -0.0007325000000000, 0.0016051700000000, 0.0000195000000000 ] - [ 0.0006831900000000, 0.0018213000000000, -0.0002894200000000 ] - [ -0.0009708000000000, -0.0019744700000000, 0.0000256000000000 ] - [ -0.0000482700000000, 0.0020982200000000, -0.0001897300000000 ] - [ -0.0000535900000000, -0.0022610700000000, -0.0001977100000000 ] - [ 0.0000897300000000, 0.0208875900000000, 0.0008651100000000 ] - [ 0.0000892000000000, -0.0066603000000000, 0.0004005000000000 ] - [ -0.0002750400000000, 0.0021292000000000, 0.0001429400000000 ] - [ -0.0002677800000000, -0.0015306900000000, 0.0001024500000000 ] - [ -0.0000027000000000, -0.0001060100000000, 0.0033287600000000 ] - [ 0.0000117500000000, -0.0001051600000000, -0.0041688000000000 ] - [ 0.0005201000000000, 0.0012259200000000, -0.0001694600000000 ] - [ 0.0004819900000000, -0.0017307400000000, 0.0001324300000000 ] - [ -0.0023371400000000, 0.0050702900000000, 0.0028191400000000 ] - [ 0.0012704900000000, -0.0047544600000000, -0.0030160600000000 ] - [ 0.0152548800000000, 0.0101001700000000, 0.0000521700000000 ] - [ -0.0143448400000000, -0.0127186800000000, -0.0008136100000000 ] - [ -0.0013550000000000, -0.0049738000000000, 0.0027702200000000 ] - [ 0.0022809300000000, 0.0048797100000000, -0.0030631800000000 ] - [ -0.0002093900000000, -0.0016493000000000, -0.0003386300000000 ] - [ -0.0002390000000000, 0.0013070000000000, -0.0000339300000000 ] - [ 0.0022577500000000, 0.0054113700000000, 0.0007679100000000 ] - [ -0.0021985000000000, -0.0059330900000000, -0.0009220400000000 ] - [ 0.0038244500000000, -0.0025530500000000, -0.0147895800000000 ] - [ -0.0033816200000000, -0.0025295400000000, 0.0146525900000000 ] - [ 0.0017396500000000, -0.0054792200000000, 0.0009073400000000 ] - [ -0.0027410700000000, 0.0058873000000000, -0.0007702900000000 ] - [ 0.0139309800000000, -0.0123517500000000, 0.0009505400000000 ] - [ -0.0156264500000000, 0.0105114500000000, 0.0000936600000000 ] - [ -0.0041714800000000, -0.0053260400000000, 0.0003622600000000 ] - [ 0.0034860100000000, 0.0056149700000000, 0.0012761400000000 ] - [ -0.0036912100000000, 0.0059664500000000, -0.0008685100000000 ] - [ 0.0040627000000000, -0.0050592800000000, 0.0000060100000000 ]- atom: 11 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0033670300000000, 0.0000000000000000, 0.0033780000000000 ] - [ -0.0006927800000000, 0.0000000000000000, 0.0004823900000000 ] - [ -0.0000122000000000, -0.0000777100000000, -0.0011597000000000 ] - [ -0.0000122000000000, 0.0000777100000000, -0.0011597000000000 ] - [ 0.0127946000000000, -0.0241820300000000, 0.0046090100000000 ] - [ 0.0127946000000000, 0.0241820300000000, 0.0046090100000000 ] - [ -0.0432476000000000, 0.0000000000000000, 0.0289458500000000 ] - [ -0.0000802200000000, 0.0000000000000000, 0.0030358200000000 ] - [ -0.0052217900000000, 0.0000000000000000, 0.1101841900000000 ] - [ -0.0025073100000000, 0.0000000000000000, 0.0016198500000000 ] - [ 0.1481135000000000, 0.0000000000000000, -0.2480775000000000 ] - [ 0.0169198900000000, 0.0000000000000000, -0.0022265400000000 ] - [ -0.0255832600000000, -0.0275936700000000, -0.0061562500000000 ] - [ -0.0255832600000000, 0.0275936700000000, -0.0061562500000000 ] - [ 0.0098043300000000, 0.0105289300000000, -0.0078527400000000 ] - [ 0.0098043300000000, -0.0105289300000000, -0.0078527400000000 ] - [ 0.0027599800000000, 0.0000000000000000, -0.0016229800000000 ] - [ 0.0012761400000000, 0.0000000000000000, -0.0030974200000000 ] - [ -0.0127992900000000, 0.0000000000000000, 0.0103239200000000 ] - [ -0.0075220300000000, 0.0000000000000000, 0.0000201200000000 ] - [ 0.0086737300000000, -0.0056232300000000, -0.0049546200000000 ] - [ 0.0086737300000000, 0.0056232300000000, -0.0049546200000000 ] - [ -0.0020712500000000, 0.0005828800000000, 0.0030847600000000 ] - [ -0.0020712500000000, -0.0005828800000000, 0.0030847600000000 ] - [ -0.0070849500000000, 0.0000000000000000, 0.0101762700000000 ] - [ -0.0047424600000000, 0.0000000000000000, 0.0022047200000000 ] - [ 0.0032442000000000, 0.0000000000000000, 0.0586279000000000 ] - [ -0.0006104100000000, 0.0000000000000000, 0.0041208700000000 ] - [ -0.0188059600000000, 0.0037362600000000, 0.0134476000000000 ] - [ -0.0188059600000000, -0.0037362600000000, 0.0134476000000000 ] - [ -0.0228319000000000, 0.0248793800000000, -0.0043273100000000 ] - [ -0.0228319000000000, -0.0248793800000000, -0.0043273100000000 ] - [ 0.0019866900000000, 0.0000000000000000, -0.0232556000000000 ] - [ 0.0006100100000000, 0.0000000000000000, -0.0020901100000000 ] - [ -0.0013906100000000, -0.0084522900000000, 0.0113737000000000 ] - [ -0.0068451100000000, 0.0079048000000000, 0.0013281400000000 ] - [ -0.0068451100000000, -0.0079048000000000, 0.0013281400000000 ] - [ -0.0013906100000000, 0.0084522900000000, 0.0113737000000000 ] - [ 0.0047333100000000, 0.0050097600000000, -0.0073673600000000 ] - [ 0.0047333100000000, -0.0050097600000000, -0.0073673600000000 ] - [ -0.0006776900000000, -0.0009763200000000, -0.0008869100000000 ] - [ -0.0006776900000000, 0.0009763200000000, -0.0008869100000000 ] - [ -0.0001167800000000, 0.0010731100000000, 0.0134131600000000 ] - [ -0.0001167800000000, -0.0010731100000000, 0.0134131600000000 ] - [ -0.0067151400000000, 0.0000000000000000, 0.0888542600000000 ] - [ -0.0005505300000000, 0.0000000000000000, 0.0003228500000000 ] - [ -0.0040166000000000, 0.0077248400000000, 0.0009307800000000 ] - [ -0.0347897700000000, 0.0267655000000000, 0.0136364100000000 ] - [ 0.0009136500000000, -0.0016436300000000, -0.0001812000000000 ] - [ -0.0136430900000000, 0.0121282300000000, -0.0056268300000000 ] - [ 0.0048328500000000, 0.0060194200000000, -0.0006314500000000 ] - [ 0.0108570500000000, 0.0025649400000000, -0.0002035800000000 ] - [ -0.0136430900000000, -0.0121282300000000, -0.0056268300000000 ] - [ 0.0009136500000000, 0.0016436300000000, -0.0001812000000000 ] - [ -0.0347897700000000, -0.0267655000000000, 0.0136364100000000 ] - [ -0.0040166000000000, -0.0077248400000000, 0.0009307800000000 ] - [ -0.0014101700000000, -0.0012558500000000, 0.0005869700000000 ] - [ -0.0019795700000000, -0.0004749200000000, 0.0005196500000000 ] - [ 0.0009681800000000, 0.0000000000000000, -0.0001842000000000 ] - [ 0.0005595700000000, 0.0000000000000000, 0.0025922300000000 ] - [ -0.0019795700000000, 0.0004749200000000, 0.0005196500000000 ] - [ -0.0014101700000000, 0.0012558500000000, 0.0005869700000000 ] - [ 0.0108570500000000, -0.0025649400000000, -0.0002035800000000 ] - [ 0.0048328500000000, -0.0060194200000000, -0.0006314500000000 ] - [ -0.0016771500000000, -0.0005413700000000, 0.0007952000000000 ] - [ -0.0011906000000000, -0.0008612800000000, 0.0012520400000000 ] - [ -0.0011906000000000, 0.0008612800000000, 0.0012520400000000 ] - [ -0.0016771500000000, 0.0005413700000000, 0.0007952000000000 ] - [ 0.0001538300000000, -0.0011826500000000, 0.0101344400000000 ] - [ 0.0001538300000000, 0.0011826500000000, 0.0101344400000000 ] - [ 0.0021493300000000, -0.0014665000000000, -0.0006153300000000 ] - [ 0.0015823100000000, -0.0002588500000000, -0.0017547800000000 ] - [ 0.0015823100000000, 0.0002588500000000, -0.0017547800000000 ] - [ 0.0021493300000000, 0.0014665000000000, -0.0006153300000000 ] - [ -0.0003540000000000, 0.0000000000000000, -0.0010989200000000 ] - [ 0.0004485500000000, 0.0000000000000000, 0.0009707900000000 ] - [ -0.0018016000000000, 0.0000000000000000, -0.0082948300000000 ] - [ -0.0011060300000000, 0.0000000000000000, -0.0003712900000000 ] - [ 0.0027033800000000, 0.0000000000000000, -0.0203926400000000 ] - [ 0.0003267100000000, 0.0000000000000000, -0.0037391900000000 ] - [ -0.0005104700000000, 0.0003812200000000, -0.0021638600000000 ] - [ -0.0005104700000000, -0.0003812200000000, -0.0021638600000000 ] - [ 0.0012151200000000, -0.0005831300000000, -0.0010527500000000 ] - [ 0.0015655000000000, -0.0006295300000000, -0.0004809600000000 ] - [ -0.0100872600000000, 0.0101088900000000, -0.0045790800000000 ] - [ -0.0012345700000000, -0.0012893500000000, -0.0010610500000000 ] - [ 0.0056119000000000, 0.0027792900000000, 0.0001068800000000 ] - [ 0.0046762700000000, 0.0035963500000000, 0.0013091500000000 ] - [ -0.0012345700000000, 0.0012893500000000, -0.0010610500000000 ] - [ -0.0100872600000000, -0.0101088900000000, -0.0045790800000000 ] - [ 0.0015655000000000, 0.0006295300000000, -0.0004809600000000 ] - [ 0.0012151200000000, 0.0005831300000000, -0.0010527500000000 ] - [ 0.0109300500000000, 0.0103769000000000, -0.0099294900000000 ] - [ 0.0018459400000000, 0.0004025700000000, -0.0023515300000000 ] - [ 0.0027934900000000, -0.0016890300000000, -0.0080689100000000 ] - [ 0.0027934900000000, 0.0016890300000000, -0.0080689100000000 ] - [ 0.0018459400000000, -0.0004025700000000, -0.0023515300000000 ] - [ 0.0109300500000000, -0.0103769000000000, -0.0099294900000000 ] - [ 0.0046762700000000, -0.0035963500000000, 0.0013091500000000 ] - [ 0.0056119000000000, -0.0027792900000000, 0.0001068800000000 ] - [ 0.0019306800000000, 0.0001055800000000, -0.0012973700000000 ] - [ 0.0176862200000000, 0.0116509400000000, -0.0095292300000000 ] - [ 0.0176862200000000, -0.0116509400000000, -0.0095292300000000 ] - [ 0.0019306800000000, -0.0001055800000000, -0.0012973700000000 ]- atom: 11 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0030736200000000, 0.0000000000000000, -0.0036768300000000 ] - [ 0.0010037600000000, 0.0000000000000000, -0.0008011300000000 ] - [ 0.0010657800000000, 0.0000901400000000, 0.0012898200000000 ] - [ 0.0010657800000000, -0.0000901400000000, 0.0012898200000000 ] - [ -0.0126423800000000, 0.0244784400000000, -0.0048791000000000 ] - [ -0.0126423800000000, -0.0244784400000000, -0.0048791000000000 ] - [ 0.0451097900000000, 0.0000000000000000, -0.0292032800000000 ] - [ 0.0011412500000000, 0.0000000000000000, -0.0028904200000000 ] - [ 0.0049893900000000, 0.0000000000000000, -0.1105222300000000 ] - [ 0.0021818600000000, 0.0000000000000000, -0.0019832100000000 ] - [ -0.1505768800000000, 0.0000000000000000, 0.2416121500000000 ] - [ -0.0163618300000000, 0.0000000000000000, 0.0025547000000000 ] - [ 0.0258595200000000, 0.0277237800000000, 0.0075957800000000 ] - [ 0.0258595200000000, -0.0277237800000000, 0.0075957800000000 ] - [ -0.0089072900000000, -0.0105635600000000, 0.0079241000000000 ] - [ -0.0089072900000000, 0.0105635600000000, 0.0079241000000000 ] - [ -0.0028639400000000, 0.0000000000000000, 0.0013995100000000 ] - [ -0.0013693700000000, 0.0000000000000000, 0.0028827300000000 ] - [ 0.0128372300000000, 0.0000000000000000, -0.0107415600000000 ] - [ 0.0075315500000000, 0.0000000000000000, -0.0003764400000000 ] - [ -0.0091395800000000, 0.0056848500000000, 0.0046465600000000 ] - [ -0.0091395800000000, -0.0056848500000000, 0.0046465600000000 ] - [ 0.0027391900000000, -0.0005776600000000, -0.0027734900000000 ] - [ 0.0027391900000000, 0.0005776600000000, -0.0027734900000000 ] - [ 0.0073175700000000, 0.0000000000000000, -0.0089514000000000 ] - [ 0.0049848900000000, 0.0000000000000000, -0.0009176800000000 ] - [ -0.0024623800000000, 0.0000000000000000, -0.0592981300000000 ] - [ 0.0015009700000000, 0.0000000000000000, -0.0041476300000000 ] - [ 0.0188331200000000, -0.0036686200000000, -0.0137753700000000 ] - [ 0.0188331200000000, 0.0036686200000000, -0.0137753700000000 ] - [ 0.0230612300000000, -0.0250765600000000, 0.0039242000000000 ] - [ 0.0230612300000000, 0.0250765600000000, 0.0039242000000000 ] - [ -0.0029287900000000, 0.0000000000000000, 0.0237722900000000 ] - [ -0.0015303600000000, 0.0000000000000000, 0.0024841900000000 ] - [ 0.0011952200000000, 0.0084788600000000, -0.0114457400000000 ] - [ 0.0068151100000000, -0.0081706100000000, -0.0016215300000000 ] - [ 0.0068151100000000, 0.0081706100000000, -0.0016215300000000 ] - [ 0.0011952200000000, -0.0084788600000000, -0.0114457400000000 ] - [ -0.0049244500000000, -0.0051235800000000, 0.0070388300000000 ] - [ -0.0049244500000000, 0.0051235800000000, 0.0070388300000000 ] - [ 0.0008648300000000, 0.0009782100000000, 0.0016880600000000 ] - [ 0.0008648300000000, -0.0009782100000000, 0.0016880600000000 ] - [ -0.0004324500000000, -0.0010930100000000, -0.0132795700000000 ] - [ -0.0004324500000000, 0.0010930100000000, -0.0132795700000000 ] - [ 0.0072155600000000, 0.0000000000000000, -0.0815824300000000 ] - [ 0.0005580500000000, 0.0000000000000000, -0.0011496600000000 ] - [ 0.0043055300000000, -0.0078204000000000, -0.0011602200000000 ] - [ 0.0360633200000000, -0.0281214800000000, -0.0136096100000000 ] - [ -0.0010174000000000, 0.0018646500000000, -0.0000812800000000 ] - [ 0.0136202500000000, -0.0119887900000000, 0.0053307400000000 ] - [ -0.0052439600000000, -0.0063804700000000, 0.0007660100000000 ] - [ -0.0112969700000000, -0.0029226800000000, 0.0003181600000000 ] - [ 0.0136202500000000, 0.0119887900000000, 0.0053307400000000 ] - [ -0.0010174000000000, -0.0018646500000000, -0.0000812800000000 ] - [ 0.0360633200000000, 0.0281214800000000, -0.0136096100000000 ] - [ 0.0043055300000000, 0.0078204000000000, -0.0011602200000000 ] - [ 0.0009801800000000, 0.0008121900000000, -0.0006201700000000 ] - [ 0.0015475200000000, 0.0000273400000000, -0.0005557000000000 ] - [ -0.0005546100000000, 0.0000000000000000, 0.0000575200000000 ] - [ -0.0001435100000000, 0.0000000000000000, -0.0027321900000000 ] - [ 0.0015475200000000, -0.0000273400000000, -0.0005557000000000 ] - [ 0.0009801800000000, -0.0008121900000000, -0.0006201700000000 ] - [ -0.0112969700000000, 0.0029226800000000, 0.0003181600000000 ] - [ -0.0052439600000000, 0.0063804700000000, 0.0007660100000000 ] - [ 0.0016036800000000, 0.0002872000000000, -0.0004282500000000 ] - [ 0.0011138500000000, 0.0006123900000000, -0.0008896200000000 ] - [ 0.0011138500000000, -0.0006123900000000, -0.0008896200000000 ] - [ 0.0016036800000000, -0.0002872000000000, -0.0004282500000000 ] - [ -0.0010582900000000, 0.0011815200000000, -0.0098064400000000 ] - [ -0.0010582900000000, -0.0011815200000000, -0.0098064400000000 ] - [ -0.0022374900000000, 0.0012687400000000, 0.0003381100000000 ] - [ -0.0016660200000000, 0.0000605700000000, 0.0014837000000000 ] - [ -0.0016660200000000, -0.0000605700000000, 0.0014837000000000 ] - [ -0.0022374900000000, -0.0012687400000000, 0.0003381100000000 ] - [ 0.0002368400000000, 0.0000000000000000, 0.0006972500000000 ] - [ -0.0005709000000000, 0.0000000000000000, -0.0013800400000000 ] - [ 0.0020701300000000, 0.0000000000000000, 0.0072158000000000 ] - [ 0.0013034600000000, 0.0000000000000000, 0.0011563000000000 ] - [ -0.0032280700000000, 0.0000000000000000, 0.0206973000000000 ] - [ -0.0008657900000000, 0.0000000000000000, 0.0039714500000000 ] - [ 0.0005235600000000, -0.0003859700000000, 0.0013211400000000 ] - [ 0.0005235600000000, 0.0003859700000000, 0.0013211400000000 ] - [ -0.0009593100000000, 0.0005078100000000, 0.0008515400000000 ] - [ -0.0013162000000000, 0.0005598000000000, 0.0002757600000000 ] - [ 0.0100942900000000, -0.0099917100000000, 0.0043889700000000 ] - [ 0.0011573400000000, 0.0015121300000000, 0.0008060000000000 ] - [ -0.0060757900000000, -0.0031922100000000, 0.0000401700000000 ] - [ -0.0051570100000000, -0.0040271000000000, -0.0011715600000000 ] - [ 0.0011573400000000, -0.0015121300000000, 0.0008060000000000 ] - [ 0.0100942900000000, 0.0099917100000000, 0.0043889700000000 ] - [ -0.0013162000000000, -0.0005598000000000, 0.0002757600000000 ] - [ -0.0009593100000000, -0.0005078100000000, 0.0008515400000000 ] - [ -0.0114528000000000, -0.0109344600000000, 0.0100327900000000 ] - [ -0.0022832200000000, -0.0008403000000000, 0.0023352700000000 ] - [ -0.0023849500000000, 0.0016715600000000, 0.0080659900000000 ] - [ -0.0023849500000000, -0.0016715600000000, 0.0080659900000000 ] - [ -0.0022832200000000, 0.0008403000000000, 0.0023352700000000 ] - [ -0.0114528000000000, 0.0109344600000000, 0.0100327900000000 ] - [ -0.0051570100000000, 0.0040271000000000, -0.0011715600000000 ] - [ -0.0060757900000000, 0.0031922100000000, 0.0000401700000000 ] - [ -0.0020515600000000, -0.0003900100000000, 0.0016815400000000 ] - [ -0.0179225400000000, -0.0120013000000000, 0.0098809700000000 ] - [ -0.0179225400000000, 0.0120013000000000, 0.0098809700000000 ] - [ -0.0020515600000000, 0.0003900100000000, 0.0016815400000000 ]- atom: 13 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0027624800000000, -0.0000598600000000, -0.0034290700000000 ] - [ 0.0027624800000000, 0.0000598600000000, -0.0034290700000000 ] - [ 0.0037523200000000, 0.0000000000000000, 0.0015700000000000 ] - [ 0.0033626900000000, 0.0000000000000000, 0.0015482900000000 ] - [ 0.0190471200000000, 0.0000000000000000, 0.0279915700000000 ] - [ -0.0001626200000000, 0.0000000000000000, 0.0039502900000000 ] - [ -0.0229283900000000, 0.0004841300000000, -0.0027716000000000 ] - [ -0.0229283900000000, -0.0004841300000000, -0.0027716000000000 ] - [ -0.0040833900000000, 0.0014019100000000, -0.0264440700000000 ] - [ -0.0040833900000000, -0.0014019100000000, -0.0264440700000000 ] - [ 0.0358709800000000, 0.0439922400000000, -0.0060538600000000 ] - [ 0.0358709800000000, -0.0439922400000000, -0.0060538600000000 ] - [ -0.2572965700000000, 0.0000000000000000, 0.0015009800000000 ] - [ -0.0270807900000000, 0.0000000000000000, -0.0023605300000000 ] - [ -0.0035632500000000, 0.0000000000000000, -0.0139142500000000 ] - [ -0.0018745300000000, 0.0000000000000000, -0.0023032200000000 ] - [ 0.0021600800000000, -0.0001418700000000, 0.0126174500000000 ] - [ 0.0021600800000000, 0.0001418700000000, 0.0126174500000000 ] - [ 0.0438314500000000, -0.0472724400000000, -0.0033957200000000 ] - [ 0.0438314500000000, 0.0472724400000000, -0.0033957200000000 ] - [ 0.0093944800000000, 0.0000000000000000, 0.0098450600000000 ] - [ 0.0088971600000000, 0.0000000000000000, 0.0080025800000000 ] - [ 0.0163995700000000, 0.0000000000000000, 0.0026260300000000 ] - [ 0.0119277500000000, 0.0000000000000000, 0.0024019700000000 ] - [ 0.0086637100000000, 0.0006240800000000, 0.0048260300000000 ] - [ 0.0086637100000000, -0.0006240800000000, 0.0048260300000000 ] - [ 0.0024865100000000, 0.0017732300000000, 0.0091777200000000 ] - [ 0.0024865100000000, -0.0017732300000000, 0.0091777200000000 ] - [ -0.0060219500000000, 0.0000000000000000, -0.0023365600000000 ] - [ -0.0023218300000000, 0.0000000000000000, -0.0030974600000000 ] - [ 0.0196021000000000, 0.0000000000000000, 0.0011404200000000 ] - [ 0.0136482500000000, 0.0000000000000000, 0.0019691300000000 ] - [ -0.0033380700000000, 0.0045529600000000, 0.0197715400000000 ] - [ -0.0033380700000000, -0.0045529600000000, 0.0197715400000000 ] - [ -0.0122755600000000, 0.0033373000000000, -0.0005772100000000 ] - [ -0.0084761200000000, 0.0091181600000000, -0.0025267900000000 ] - [ -0.0122755600000000, -0.0033373000000000, -0.0005772100000000 ] - [ -0.0084761200000000, -0.0091181600000000, -0.0025267900000000 ] - [ 0.0182259300000000, 0.0000000000000000, 0.0193311500000000 ] - [ 0.0032649300000000, 0.0000000000000000, 0.0015896300000000 ] - [ -0.0011487300000000, 0.0000000000000000, 0.0024727300000000 ] - [ -0.0009415000000000, 0.0000000000000000, 0.0018888400000000 ] - [ 0.0106770500000000, 0.0000000000000000, -0.0083544000000000 ] - [ 0.0011478200000000, 0.0000000000000000, 0.0012961900000000 ] - [ -0.0020127700000000, -0.0023480000000000, 0.0176149700000000 ] - [ -0.0020127700000000, 0.0023480000000000, 0.0176149700000000 ] - [ 0.0174412800000000, 0.0019706900000000, -0.0002325500000000 ] - [ 0.0092119100000000, -0.0130928200000000, -0.0014426400000000 ] - [ 0.0009081700000000, 0.0005354100000000, 0.0030432400000000 ] - [ 0.0011377400000000, -0.0005425200000000, 0.0024533500000000 ] - [ 0.0550240400000000, 0.0472105300000000, -0.0065931400000000 ] - [ 0.0096051600000000, 0.0142677600000000, 0.0012058000000000 ] - [ 0.0009081700000000, -0.0005354100000000, 0.0030432400000000 ] - [ 0.0011377400000000, 0.0005425200000000, 0.0024533500000000 ] - [ 0.0174412800000000, -0.0019706900000000, -0.0002325500000000 ] - [ 0.0092119100000000, 0.0130928200000000, -0.0014426400000000 ] - [ 0.0015891100000000, 0.0015969100000000, -0.0001904700000000 ] - [ -0.0000001700000000, 0.0004165400000000, -0.0003921800000000 ] - [ -0.0024674600000000, 0.0033286000000000, -0.0141989800000000 ] - [ -0.0024674600000000, -0.0033286000000000, -0.0141989800000000 ] - [ 0.0015891100000000, -0.0015969100000000, -0.0001904700000000 ] - [ -0.0000001700000000, -0.0004165400000000, -0.0003921800000000 ] - [ 0.0550240400000000, -0.0472105300000000, -0.0065931400000000 ] - [ 0.0096051600000000, -0.0142677600000000, 0.0012058000000000 ] - [ -0.0036354700000000, -0.0028359300000000, -0.0013508200000000 ] - [ -0.0037122700000000, -0.0031789300000000, -0.0012304900000000 ] - [ -0.0036354700000000, 0.0028359300000000, -0.0013508200000000 ] - [ -0.0037122700000000, 0.0031789300000000, -0.0012304900000000 ] - [ -0.0036144700000000, 0.0000000000000000, -0.0062128300000000 ] - [ -0.0030750600000000, 0.0000000000000000, -0.0056116200000000 ] - [ -0.0104680200000000, 0.0024353900000000, 0.0008107000000000 ] - [ -0.0098682300000000, 0.0085813600000000, 0.0016218300000000 ] - [ -0.0104680200000000, -0.0024353900000000, 0.0008107000000000 ] - [ -0.0098682300000000, -0.0085813600000000, 0.0016218300000000 ] - [ -0.0016019200000000, -0.0000904600000000, -0.0027414000000000 ] - [ -0.0016019200000000, 0.0000904600000000, -0.0027414000000000 ] - [ -0.0020254500000000, -0.0054892000000000, -0.0101038400000000 ] - [ -0.0020254500000000, 0.0054892000000000, -0.0101038400000000 ] - [ -0.0005299000000000, -0.0002766200000000, -0.0042071100000000 ] - [ -0.0005299000000000, 0.0002766200000000, -0.0042071100000000 ] - [ -0.0015161900000000, 0.0000000000000000, -0.0071160800000000 ] - [ -0.0010576800000000, 0.0000000000000000, -0.0064560900000000 ] - [ -0.0051590800000000, 0.0024456300000000, 0.0001456000000000 ] - [ -0.0043036900000000, 0.0022527600000000, 0.0000246100000000 ] - [ -0.0035764800000000, 0.0007278400000000, -0.0028498200000000 ] - [ -0.0034602600000000, 0.0024128400000000, -0.0019990000000000 ] - [ -0.0061424100000000, -0.0034958800000000, -0.0006808000000000 ] - [ -0.0045001800000000, -0.0025657600000000, -0.0007654600000000 ] - [ -0.0035764800000000, -0.0007278400000000, -0.0028498200000000 ] - [ -0.0034602600000000, -0.0024128400000000, -0.0019990000000000 ] - [ -0.0051590800000000, -0.0024456300000000, 0.0001456000000000 ] - [ -0.0043036900000000, -0.0022527600000000, 0.0000246100000000 ] - [ 0.0018237900000000, -0.0001201800000000, -0.0018574800000000 ] - [ 0.0015778800000000, 0.0001522900000000, -0.0002088300000000 ] - [ -0.0003507900000000, 0.0000000000000000, 0.0036215400000000 ] - [ -0.0004795200000000, 0.0000000000000000, 0.0027223800000000 ] - [ 0.0018237900000000, 0.0001201800000000, -0.0018574800000000 ] - [ 0.0015778800000000, -0.0001522900000000, -0.0002088300000000 ] - [ -0.0061424100000000, 0.0034958800000000, -0.0006808000000000 ] - [ -0.0045001800000000, 0.0025657600000000, -0.0007654600000000 ] - [ 0.0039630200000000, 0.0030021500000000, 0.0022851200000000 ] - [ 0.0020871300000000, 0.0008235600000000, 0.0017925000000000 ] - [ 0.0039630200000000, -0.0030021500000000, 0.0022851200000000 ] - [ 0.0020871300000000, -0.0008235600000000, 0.0017925000000000 ]- atom: 13 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0024836900000000, 0.0000769200000000, 0.0031085200000000 ] - [ -0.0024836900000000, -0.0000769200000000, 0.0031085200000000 ] - [ -0.0027615500000000, 0.0000000000000000, -0.0014745600000000 ] - [ -0.0023341400000000, 0.0000000000000000, -0.0014447300000000 ] - [ -0.0191679400000000, 0.0000000000000000, -0.0287862900000000 ] - [ 0.0004524200000000, 0.0000000000000000, -0.0042921500000000 ] - [ 0.0241588700000000, -0.0004916200000000, 0.0029055400000000 ] - [ 0.0241588700000000, 0.0004916200000000, 0.0029055400000000 ] - [ 0.0038288500000000, -0.0013644800000000, 0.0263193800000000 ] - [ 0.0038288500000000, 0.0013644800000000, 0.0263193800000000 ] - [ -0.0356739000000000, -0.0445573500000000, 0.0064834000000000 ] - [ -0.0356739000000000, 0.0445573500000000, 0.0064834000000000 ] - [ 0.2546416400000000, 0.0000000000000000, 0.0020879300000000 ] - [ 0.0274758100000000, 0.0000000000000000, 0.0036998300000000 ] - [ 0.0045721300000000, 0.0000000000000000, 0.0134409000000000 ] - [ 0.0028068000000000, 0.0000000000000000, 0.0023450600000000 ] - [ -0.0023306400000000, 0.0001671700000000, -0.0129033200000000 ] - [ -0.0023306400000000, -0.0001671700000000, -0.0129033200000000 ] - [ -0.0441129200000000, 0.0474585600000000, 0.0030275100000000 ] - [ -0.0441129200000000, -0.0474585600000000, 0.0030275100000000 ] - [ -0.0098764000000000, 0.0000000000000000, -0.0102758400000000 ] - [ -0.0093779300000000, 0.0000000000000000, -0.0084259900000000 ] - [ -0.0158398500000000, 0.0000000000000000, -0.0023599500000000 ] - [ -0.0113849600000000, 0.0000000000000000, -0.0021079600000000 ] - [ -0.0085709500000000, -0.0006441200000000, -0.0035857100000000 ] - [ -0.0085709500000000, 0.0006441200000000, -0.0035857100000000 ] - [ -0.0016000800000000, -0.0018111500000000, -0.0092624700000000 ] - [ -0.0016000800000000, 0.0018111500000000, -0.0092624700000000 ] - [ 0.0060660600000000, 0.0000000000000000, 0.0020565500000000 ] - [ 0.0022760600000000, 0.0000000000000000, 0.0028903700000000 ] - [ -0.0198506500000000, 0.0000000000000000, -0.0015369800000000 ] - [ -0.0137701100000000, 0.0000000000000000, -0.0023560100000000 ] - [ 0.0024178400000000, -0.0045763900000000, -0.0195133300000000 ] - [ 0.0024178400000000, 0.0045763900000000, -0.0195133300000000 ] - [ 0.0123561300000000, -0.0035600300000000, 0.0003006600000000 ] - [ 0.0084811500000000, -0.0093915300000000, 0.0022656300000000 ] - [ 0.0123561300000000, 0.0035600300000000, 0.0003006600000000 ] - [ 0.0084811500000000, 0.0093915300000000, 0.0022656300000000 ] - [ -0.0180847600000000, 0.0000000000000000, -0.0191041400000000 ] - [ -0.0034181600000000, 0.0000000000000000, -0.0020107600000000 ] - [ 0.0013550300000000, 0.0000000000000000, -0.0016851900000000 ] - [ 0.0011402800000000, 0.0000000000000000, -0.0010970100000000 ] - [ -0.0108690500000000, 0.0000000000000000, 0.0079860200000000 ] - [ -0.0016952300000000, 0.0000000000000000, -0.0011243800000000 ] - [ 0.0020491500000000, 0.0023770500000000, -0.0186443100000000 ] - [ 0.0020491500000000, -0.0023770500000000, -0.0186443100000000 ] - [ -0.0182364900000000, -0.0007839100000000, -0.0001941800000000 ] - [ -0.0090103100000000, 0.0131487400000000, 0.0012539700000000 ] - [ -0.0010878000000000, -0.0002301100000000, -0.0032857700000000 ] - [ -0.0012333500000000, 0.0007451900000000, -0.0027416200000000 ] - [ -0.0528498900000000, -0.0438133500000000, 0.0061288000000000 ] - [ -0.0100972400000000, -0.0147512000000000, -0.0010750700000000 ] - [ -0.0010878000000000, 0.0002301100000000, -0.0032857700000000 ] - [ -0.0012333500000000, -0.0007451900000000, -0.0027416200000000 ] - [ -0.0182364900000000, 0.0007839100000000, -0.0001941800000000 ] - [ -0.0090103100000000, -0.0131487400000000, 0.0012539700000000 ] - [ -0.0019615500000000, -0.0019952200000000, 0.0001913600000000 ] - [ -0.0004225700000000, -0.0008646800000000, 0.0003607400000000 ] - [ 0.0028942600000000, -0.0033241000000000, 0.0141784400000000 ] - [ 0.0028942600000000, 0.0033241000000000, 0.0141784400000000 ] - [ -0.0019615500000000, 0.0019952200000000, 0.0001913600000000 ] - [ -0.0004225700000000, 0.0008646800000000, 0.0003607400000000 ] - [ -0.0528498900000000, 0.0438133500000000, 0.0061288000000000 ] - [ -0.0100972400000000, 0.0147512000000000, -0.0010750700000000 ] - [ 0.0035890500000000, 0.0026061000000000, 0.0017261100000000 ] - [ 0.0036652400000000, 0.0029520200000000, 0.0016051000000000 ] - [ 0.0035890500000000, -0.0026061000000000, 0.0017261100000000 ] - [ 0.0036652400000000, -0.0029520200000000, 0.0016051000000000 ] - [ 0.0027421900000000, 0.0000000000000000, 0.0066786100000000 ] - [ 0.0021928500000000, 0.0000000000000000, 0.0060560200000000 ] - [ 0.0104884700000000, -0.0027217300000000, -0.0010783200000000 ] - [ 0.0098829600000000, -0.0088575900000000, -0.0019053900000000 ] - [ 0.0104884700000000, 0.0027217300000000, -0.0010783200000000 ] - [ 0.0098829600000000, 0.0088575900000000, -0.0019053900000000 ] - [ 0.0015049700000000, 0.0000891100000000, 0.0023815400000000 ] - [ 0.0015049700000000, -0.0000891100000000, 0.0023815400000000 ] - [ 0.0022429900000000, 0.0055753500000000, 0.0110045200000000 ] - [ 0.0022429900000000, -0.0055753500000000, 0.0110045200000000 ] - [ -0.0000034400000000, 0.0002815100000000, 0.0044487900000000 ] - [ -0.0000034400000000, -0.0002815100000000, 0.0044487900000000 ] - [ 0.0015252500000000, 0.0000000000000000, 0.0063128900000000 ] - [ 0.0010746300000000, 0.0000000000000000, 0.0056556200000000 ] - [ 0.0054767800000000, -0.0025467900000000, -0.0003453300000000 ] - [ 0.0046144600000000, -0.0023556300000000, -0.0002249400000000 ] - [ 0.0035251900000000, -0.0005174400000000, 0.0026166400000000 ] - [ 0.0034087400000000, -0.0022288200000000, 0.0017544500000000 ] - [ 0.0058012300000000, 0.0031581400000000, 0.0008324800000000 ] - [ 0.0041246900000000, 0.0022040900000000, 0.0009192100000000 ] - [ 0.0035251900000000, 0.0005174400000000, 0.0026166400000000 ] - [ 0.0034087400000000, 0.0022288200000000, 0.0017544500000000 ] - [ 0.0054767800000000, 0.0025467900000000, -0.0003453300000000 ] - [ 0.0046144600000000, 0.0023556300000000, -0.0002249400000000 ] - [ -0.0022554000000000, -0.0002862000000000, 0.0018780100000000 ] - [ -0.0020303300000000, -0.0006141600000000, 0.0001876900000000 ] - [ 0.0007844200000000, 0.0000000000000000, -0.0037435200000000 ] - [ 0.0009021700000000, 0.0000000000000000, -0.0028585900000000 ] - [ -0.0022554000000000, 0.0002862000000000, 0.0018780100000000 ] - [ -0.0020303300000000, 0.0006141600000000, 0.0001876900000000 ] - [ 0.0058012300000000, -0.0031581400000000, 0.0008324800000000 ] - [ 0.0041246900000000, -0.0022040900000000, 0.0009192100000000 ] - [ -0.0041139700000000, -0.0033109400000000, -0.0019467900000000 ] - [ -0.0022250100000000, -0.0011118600000000, -0.0014348100000000 ] - [ -0.0041139700000000, 0.0033109400000000, -0.0019467900000000 ] - [ -0.0022250100000000, 0.0011118600000000, -0.0014348100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0038798800000000, 0.0003880500000000, 0.0009733600000000 ] - [ 0.0041664000000000, 0.0003762600000000, -0.0012889800000000 ] - [ 0.0005095000000000, -0.0023144500000000, 0.0000480600000000 ] - [ 0.0005310200000000, 0.0020476600000000, 0.0000574700000000 ] - [ 0.0001345300000000, -0.0210277900000000, -0.0001850800000000 ] - [ 0.0001339500000000, 0.0084757200000000, -0.0001613300000000 ] - [ 0.0066744600000000, 0.0246723400000000, 0.0330149100000000 ] - [ -0.0056203000000000, 0.0250401200000000, -0.0333161100000000 ] - [ -0.0008119000000000, 0.0008875600000000, 0.0020094000000000 ] - [ 0.0005359300000000, 0.0008403000000000, -0.0022720400000000 ] - [ 0.0466317000000000, 0.0417551400000000, -0.0010031700000000 ] - [ -0.0462397100000000, 0.0420180000000000, 0.0013868800000000 ] - [ -0.0035200500000000, -0.3041748600000000, 0.0020948300000000 ] - [ 0.0000933000000000, 0.0397319700000000, 0.0006573600000000 ] - [ 0.0004963900000000, -0.0126445900000000, -0.0002260200000000 ] - [ 0.0004627900000000, 0.0116230300000000, 0.0000376300000000 ] - [ -0.0015319600000000, 0.0004595900000000, -0.0136850500000000 ] - [ 0.0013843900000000, 0.0004272400000000, 0.0134756800000000 ] - [ -0.0633185600000000, 0.0539288500000000, -0.0016416200000000 ] - [ 0.0634157800000000, 0.0539615200000000, 0.0012815900000000 ] - [ -0.0002200800000000, -0.0055782300000000, -0.0001892500000000 ] - [ -0.0002172500000000, 0.0068146200000000, -0.0001813300000000 ] - [ 0.0003071000000000, -0.0192026500000000, 0.0001407100000000 ] - [ 0.0003081800000000, 0.0153855600000000, 0.0001486700000000 ] - [ -0.0005579500000000, 0.0007964000000000, 0.0007833300000000 ] - [ 0.0007057200000000, 0.0007971200000000, 0.0004607700000000 ] - [ 0.0024418900000000, -0.0002564800000000, 0.0086794200000000 ] - [ -0.0015578600000000, -0.0002392500000000, -0.0087226200000000 ] - [ -0.0000120000000000, -0.0135487000000000, -0.0001412200000000 ] - [ -0.0000371700000000, 0.0125934900000000, -0.0001158800000000 ] - [ -0.0000433200000000, -0.0163814500000000, -0.0002052700000000 ] - [ -0.0000289300000000, 0.0132422800000000, -0.0001962700000000 ] - [ 0.0053274500000000, -0.0052017600000000, -0.0134736800000000 ] - [ -0.0062851600000000, -0.0051968400000000, 0.0138208300000000 ] - [ -0.0161475600000000, 0.0107785900000000, -0.0013455000000000 ] - [ 0.0118063400000000, -0.0138441900000000, 0.0029761800000000 ] - [ 0.0161170400000000, 0.0109719100000000, 0.0010753100000000 ] - [ -0.0118806200000000, -0.0136358400000000, -0.0032608500000000 ] - [ 0.0000521700000000, 0.0212043500000000, 0.0002178600000000 ] - [ -0.0000580700000000, -0.0063672200000000, -0.0001965200000000 ] - [ 0.0000920400000000, 0.0028705200000000, 0.0003926200000000 ] - [ 0.0000903800000000, -0.0027353800000000, 0.0003891700000000 ] - [ -0.0001367300000000, 0.0126041100000000, -0.0002072600000000 ] - [ -0.0002682600000000, -0.0029277600000000, 0.0000787300000000 ] - [ -0.0024322100000000, -0.0021039000000000, 0.0091118600000000 ] - [ 0.0024569200000000, -0.0021208200000000, -0.0100064000000000 ] - [ 0.0114005000000000, 0.0015933700000000, 0.0015402900000000 ] - [ 0.0037163300000000, -0.0160754500000000, -0.0015203700000000 ] - [ -0.0040532700000000, 0.0046711600000000, -0.0000821100000000 ] - [ 0.0050060100000000, -0.0055246200000000, -0.0015092400000000 ] - [ 0.0506052300000000, 0.0733493400000000, -0.0106981700000000 ] - [ -0.0082836200000000, -0.0245668600000000, 0.0011096800000000 ] - [ 0.0038751500000000, 0.0043658300000000, -0.0001525400000000 ] - [ -0.0051060600000000, -0.0057295400000000, 0.0012319400000000 ] - [ -0.0122208500000000, 0.0006126700000000, -0.0019394400000000 ] - [ -0.0034377800000000, -0.0160375600000000, 0.0013206200000000 ] - [ 0.0015611200000000, 0.0030678200000000, -0.0010646100000000 ] - [ -0.0015506900000000, -0.0029797300000000, 0.0008669700000000 ] - [ 0.0039973600000000, -0.0034627600000000, 0.0166729500000000 ] - [ -0.0035939500000000, -0.0034740900000000, -0.0167823900000000 ] - [ -0.0019450700000000, 0.0034667300000000, 0.0010475700000000 ] - [ 0.0011163800000000, -0.0025280000000000, -0.0009126200000000 ] - [ -0.0465257800000000, 0.0694575900000000, 0.0100246800000000 ] - [ 0.0078313900000000, -0.0242168800000000, -0.0009789400000000 ] - [ 0.0022929800000000, 0.0028025800000000, 0.0009785600000000 ] - [ -0.0028819400000000, -0.0037319800000000, -0.0008189900000000 ] - [ -0.0023462900000000, 0.0030346900000000, -0.0006049300000000 ] - [ 0.0028273200000000, -0.0035046300000000, 0.0011929000000000 ] - [ -0.0004444000000000, 0.0016588700000000, 0.0002175400000000 ] - [ -0.0004468700000000, -0.0018110800000000, 0.0002112200000000 ] - [ -0.0163266900000000, 0.0089755200000000, -0.0001694100000000 ] - [ 0.0136611300000000, -0.0133326600000000, -0.0013985800000000 ] - [ 0.0162809500000000, 0.0092231700000000, -0.0000958200000000 ] - [ -0.0136929300000000, -0.0131122600000000, 0.0011134700000000 ] - [ 0.0003038700000000, -0.0000887100000000, 0.0014934700000000 ] - [ -0.0004030300000000, -0.0000831100000000, -0.0018681900000000 ] - [ -0.0053386100000000, -0.0046601300000000, -0.0114031100000000 ] - [ 0.0055661800000000, -0.0047010000000000, 0.0122481700000000 ] - [ -0.0001545000000000, -0.0001871700000000, -0.0022404900000000 ] - [ -0.0003805600000000, -0.0001882800000000, 0.0024784500000000 ] - [ 0.0000025200000000, 0.0013396000000000, -0.0004042100000000 ] - [ 0.0000038300000000, -0.0013603800000000, -0.0004027100000000 ] - [ 0.0010147500000000, 0.0016484600000000, 0.0001490800000000 ] - [ 0.0002215500000000, -0.0022080100000000, -0.0006001100000000 ] - [ -0.0015219000000000, 0.0027014200000000, -0.0001878400000000 ] - [ 0.0021608500000000, -0.0026058400000000, 0.0008164300000000 ] - [ 0.0004018500000000, 0.0009153000000000, 0.0001448300000000 ] - [ -0.0012782800000000, -0.0018085500000000, -0.0001339600000000 ] - [ 0.0014536100000000, 0.0024916800000000, -0.0000576500000000 ] - [ -0.0022284600000000, -0.0028007000000000, -0.0010670200000000 ] - [ -0.0007278300000000, 0.0017358900000000, -0.0003431000000000 ] - [ 0.0000641800000000, -0.0021222600000000, 0.0004038500000000 ] - [ 0.0009986300000000, 0.0042980400000000, -0.0020563400000000 ] - [ -0.0006122300000000, -0.0045994900000000, 0.0024493100000000 ] - [ 0.0002159100000000, 0.0017786600000000, -0.0000529700000000 ] - [ 0.0002117900000000, -0.0014318600000000, -0.0000675200000000 ] - [ -0.0014175700000000, 0.0047291000000000, 0.0020522200000000 ] - [ 0.0001800700000000, -0.0041405300000000, -0.0024704500000000 ] - [ -0.0007807100000000, 0.0012745900000000, 0.0000040200000000 ] - [ 0.0008962900000000, -0.0014484700000000, 0.0002818500000000 ] - [ 0.0038883100000000, 0.0057657000000000, 0.0023070600000000 ] - [ -0.0034063900000000, -0.0059624400000000, -0.0015833900000000 ] - [ -0.0040119600000000, 0.0060348700000000, -0.0019402900000000 ] - [ 0.0032923500000000, -0.0056977800000000, 0.0019591800000000 ]- atom: 13 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0014819800000000, -0.0046494600000000, 0.0061764500000000 ] - [ -0.0014819800000000, 0.0046494600000000, 0.0061764500000000 ] - [ 0.0048374200000000, 0.0000000000000000, 0.0034466200000000 ] - [ 0.0001188800000000, 0.0000000000000000, 0.0005064100000000 ] - [ 0.0160750800000000, 0.0000000000000000, -0.0158132400000000 ] - [ 0.0013851100000000, 0.0000000000000000, -0.0030089000000000 ] - [ 0.0132073400000000, 0.0244371800000000, 0.0049702000000000 ] - [ 0.0132073400000000, -0.0244371800000000, 0.0049702000000000 ] - [ -0.0223057000000000, -0.0057474000000000, 0.0164968600000000 ] - [ -0.0223057000000000, 0.0057474000000000, 0.0164968600000000 ] - [ -0.0195572700000000, -0.0232290900000000, -0.0026095400000000 ] - [ -0.0195572700000000, 0.0232290900000000, -0.0026095400000000 ] - [ 0.1451817800000000, 0.0000000000000000, -0.2213706300000000 ] - [ 0.0133069700000000, 0.0000000000000000, -0.0023199000000000 ] - [ -0.0067168400000000, 0.0000000000000000, 0.1109915100000000 ] - [ -0.0001457900000000, 0.0000000000000000, -0.0003686700000000 ] - [ 0.0091748500000000, -0.0086499700000000, -0.0078985400000000 ] - [ 0.0091748500000000, 0.0086499700000000, -0.0078985400000000 ] - [ -0.0339621500000000, 0.0304423100000000, -0.0036016800000000 ] - [ -0.0339621500000000, -0.0304423100000000, -0.0036016800000000 ] - [ 0.0040147700000000, 0.0000000000000000, -0.0011982000000000 ] - [ 0.0017696900000000, 0.0000000000000000, -0.0034805300000000 ] - [ -0.0096727400000000, 0.0000000000000000, 0.0077808500000000 ] - [ -0.0062860500000000, 0.0000000000000000, 0.0005020900000000 ] - [ -0.0014185700000000, -0.0004986500000000, 0.0040361200000000 ] - [ -0.0014185700000000, 0.0004986500000000, 0.0040361200000000 ] - [ 0.0068519100000000, 0.0060175500000000, -0.0018279600000000 ] - [ 0.0068519100000000, -0.0060175500000000, -0.0018279600000000 ] - [ -0.0047593900000000, 0.0000000000000000, 0.0519922300000000 ] - [ -0.0022391300000000, 0.0000000000000000, 0.0032394400000000 ] - [ -0.0074530500000000, 0.0000000000000000, 0.0068576100000000 ] - [ -0.0054623000000000, 0.0000000000000000, 0.0002574700000000 ] - [ 0.0054355500000000, -0.0027496900000000, -0.0126312400000000 ] - [ 0.0054355500000000, 0.0027496900000000, -0.0126312400000000 ] - [ 0.0062364200000000, -0.0029282400000000, 0.0010035800000000 ] - [ 0.0037191300000000, -0.0044773800000000, 0.0017584800000000 ] - [ 0.0062364200000000, 0.0029282400000000, 0.0010035800000000 ] - [ 0.0037191300000000, 0.0044773800000000, 0.0017584800000000 ] - [ -0.0158211200000000, 0.0000000000000000, 0.0066965400000000 ] - [ -0.0013590100000000, 0.0000000000000000, -0.0002189000000000 ] - [ -0.0019153900000000, 0.0000000000000000, -0.0169745800000000 ] - [ 0.0008178700000000, 0.0000000000000000, -0.0010345900000000 ] - [ -0.0070623400000000, 0.0000000000000000, 0.0644207900000000 ] - [ -0.0010227900000000, 0.0000000000000000, 0.0027022000000000 ] - [ 0.0030251400000000, 0.0018858900000000, -0.0075383700000000 ] - [ 0.0030251400000000, -0.0018858900000000, -0.0075383700000000 ] - [ 0.0002814700000000, -0.0093158200000000, 0.0131722900000000 ] - [ -0.0046920800000000, 0.0062449000000000, 0.0020627000000000 ] - [ 0.0161771500000000, -0.0190242500000000, -0.0092491700000000 ] - [ 0.0019557000000000, 0.0008958100000000, -0.0016557300000000 ] - [ -0.0408081700000000, -0.0399023500000000, 0.0191306300000000 ] - [ -0.0037462100000000, -0.0084121900000000, 0.0004786000000000 ] - [ 0.0161771500000000, 0.0190242500000000, -0.0092491700000000 ] - [ 0.0019557000000000, -0.0008958100000000, -0.0016557300000000 ] - [ 0.0002814700000000, 0.0093158200000000, 0.0131722900000000 ] - [ -0.0046920800000000, -0.0062449000000000, 0.0020627000000000 ] - [ -0.0122264900000000, -0.0117082300000000, -0.0062025900000000 ] - [ -0.0002343300000000, 0.0011603800000000, -0.0000170000000000 ] - [ 0.0015380900000000, -0.0014216400000000, 0.0129929800000000 ] - [ 0.0015380900000000, 0.0014216400000000, 0.0129929800000000 ] - [ -0.0122264900000000, 0.0117082300000000, -0.0062025900000000 ] - [ -0.0002343300000000, -0.0011603800000000, -0.0000170000000000 ] - [ -0.0408081700000000, 0.0399023500000000, 0.0191306300000000 ] - [ -0.0037462100000000, 0.0084121900000000, 0.0004786000000000 ] - [ -0.0022376500000000, -0.0003644000000000, 0.0006742200000000 ] - [ -0.0012481100000000, -0.0012186100000000, 0.0004767800000000 ] - [ -0.0022376500000000, 0.0003644000000000, 0.0006742200000000 ] - [ -0.0012481100000000, 0.0012186100000000, 0.0004767800000000 ] - [ -0.0015360400000000, 0.0000000000000000, 0.0000088400000000 ] - [ -0.0000423100000000, 0.0000000000000000, 0.0025161200000000 ] - [ 0.0084493800000000, -0.0029844900000000, -0.0014558200000000 ] - [ 0.0065599600000000, -0.0050072600000000, -0.0011340100000000 ] - [ 0.0084493800000000, 0.0029844900000000, -0.0014558200000000 ] - [ 0.0065599600000000, 0.0050072600000000, -0.0011340100000000 ] - [ -0.0010732500000000, 0.0014846300000000, -0.0020952500000000 ] - [ -0.0010732500000000, -0.0014846300000000, -0.0020952500000000 ] - [ -0.0003877400000000, 0.0011487600000000, 0.0080157600000000 ] - [ -0.0003877400000000, -0.0011487600000000, 0.0080157600000000 ] - [ -0.0005955100000000, -0.0002655400000000, -0.0022472200000000 ] - [ -0.0005955100000000, 0.0002655400000000, -0.0022472200000000 ] - [ 0.0001593100000000, 0.0000000000000000, -0.0010968600000000 ] - [ 0.0002008100000000, 0.0000000000000000, 0.0018477500000000 ] - [ 0.0014903300000000, 0.0000908700000000, -0.0022845800000000 ] - [ 0.0019433400000000, -0.0014226600000000, -0.0012762700000000 ] - [ -0.0019674700000000, 0.0006008100000000, -0.0000036400000000 ] - [ -0.0012636300000000, 0.0017733300000000, 0.0007948500000000 ] - [ 0.0004681400000000, 0.0003911200000000, -0.0007443100000000 ] - [ 0.0009581800000000, 0.0004872100000000, -0.0001442300000000 ] - [ -0.0019674700000000, -0.0006008100000000, -0.0000036400000000 ] - [ -0.0012636300000000, -0.0017733300000000, 0.0007948500000000 ] - [ 0.0014903300000000, -0.0000908700000000, -0.0022845800000000 ] - [ 0.0019433400000000, 0.0014226600000000, -0.0012762700000000 ] - [ -0.0088946400000000, -0.0093668700000000, -0.0065748400000000 ] - [ -0.0008760800000000, 0.0013878000000000, -0.0008338900000000 ] - [ 0.0008352100000000, 0.0000000000000000, -0.0176336100000000 ] - [ 0.0007031600000000, 0.0000000000000000, -0.0029796900000000 ] - [ -0.0088946400000000, 0.0093668700000000, -0.0065748400000000 ] - [ -0.0008760800000000, -0.0013878000000000, -0.0008338900000000 ] - [ 0.0004681400000000, -0.0003911200000000, -0.0007443100000000 ] - [ 0.0009581800000000, -0.0004872100000000, -0.0001442300000000 ] - [ 0.0100610400000000, 0.0079173600000000, -0.0066595700000000 ] - [ 0.0024880400000000, 0.0008017100000000, -0.0016891400000000 ] - [ 0.0100610400000000, -0.0079173600000000, -0.0066595700000000 ] - [ 0.0024880400000000, -0.0008017100000000, -0.0016891400000000 ]- atom: 13 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0017929000000000, 0.0046367900000000, -0.0064662500000000 ] - [ 0.0017929000000000, -0.0046367900000000, -0.0064662500000000 ] - [ -0.0037926700000000, 0.0000000000000000, -0.0033120000000000 ] - [ 0.0009314300000000, 0.0000000000000000, -0.0003799700000000 ] - [ -0.0158413500000000, 0.0000000000000000, 0.0155211600000000 ] - [ -0.0010867700000000, 0.0000000000000000, 0.0026955500000000 ] - [ -0.0121721200000000, -0.0246143500000000, -0.0048410900000000 ] - [ -0.0121721200000000, 0.0246143500000000, -0.0048410900000000 ] - [ 0.0219423000000000, 0.0057091500000000, -0.0167682000000000 ] - [ 0.0219423000000000, -0.0057091500000000, -0.0167682000000000 ] - [ 0.0201440900000000, 0.0231235900000000, 0.0028993800000000 ] - [ 0.0201440900000000, -0.0231235900000000, 0.0028993800000000 ] - [ -0.1468761900000000, 0.0000000000000000, 0.2170806700000000 ] - [ -0.0130535700000000, 0.0000000000000000, 0.0036104800000000 ] - [ 0.0077362600000000, 0.0000000000000000, -0.1102640200000000 ] - [ 0.0010859400000000, 0.0000000000000000, 0.0003892100000000 ] - [ -0.0092535200000000, 0.0086229900000000, 0.0076476300000000 ] - [ -0.0092535200000000, -0.0086229900000000, 0.0076476300000000 ] - [ 0.0337964800000000, -0.0303371400000000, 0.0032702600000000 ] - [ 0.0337964800000000, 0.0303371400000000, 0.0032702600000000 ] - [ -0.0044025500000000, 0.0000000000000000, 0.0008408000000000 ] - [ -0.0021685300000000, 0.0000000000000000, 0.0031170700000000 ] - [ 0.0102845300000000, 0.0000000000000000, -0.0074550800000000 ] - [ 0.0069103400000000, 0.0000000000000000, -0.0001842300000000 ] - [ 0.0015833500000000, 0.0004903000000000, -0.0027428300000000 ] - [ 0.0015833500000000, -0.0004903000000000, -0.0027428300000000 ] - [ -0.0059354600000000, -0.0060212000000000, 0.0018350700000000 ] - [ -0.0059354600000000, 0.0060212000000000, 0.0018350700000000 ] - [ 0.0046431700000000, 0.0000000000000000, -0.0523224200000000 ] - [ 0.0021342400000000, 0.0000000000000000, -0.0034475500000000 ] - [ 0.0074082600000000, 0.0000000000000000, -0.0072429300000000 ] - [ 0.0054370800000000, 0.0000000000000000, -0.0006434900000000 ] - [ -0.0063541000000000, 0.0027556600000000, 0.0129889400000000 ] - [ -0.0063541000000000, -0.0027556600000000, 0.0129889400000000 ] - [ -0.0062912000000000, 0.0027206000000000, -0.0012740000000000 ] - [ -0.0037754600000000, 0.0042589100000000, -0.0020222000000000 ] - [ -0.0062912000000000, -0.0027206000000000, -0.0012740000000000 ] - [ -0.0037754600000000, -0.0042589100000000, -0.0020222000000000 ] - [ 0.0154008000000000, 0.0000000000000000, -0.0095224700000000 ] - [ 0.0012315000000000, 0.0000000000000000, -0.0001945600000000 ] - [ 0.0020993200000000, 0.0000000000000000, 0.0177245100000000 ] - [ -0.0006295700000000, 0.0000000000000000, 0.0018260800000000 ] - [ 0.0066692100000000, 0.0000000000000000, -0.0576981400000000 ] - [ 0.0004821800000000, 0.0000000000000000, -0.0024927700000000 ] - [ -0.0030054100000000, -0.0018671900000000, 0.0066667900000000 ] - [ -0.0030054100000000, 0.0018671900000000, 0.0066667900000000 ] - [ 0.0001855400000000, 0.0090933800000000, -0.0133116400000000 ] - [ 0.0049354000000000, -0.0062912400000000, -0.0022704800000000 ] - [ -0.0163154600000000, 0.0192731300000000, 0.0089086500000000 ] - [ -0.0020430500000000, -0.0006783200000000, 0.0013885600000000 ] - [ 0.0413988200000000, 0.0410813400000000, -0.0185869800000000 ] - [ 0.0033039800000000, 0.0079880700000000, -0.0003550300000000 ] - [ -0.0163154600000000, -0.0192731300000000, 0.0089086500000000 ] - [ -0.0020430500000000, 0.0006783200000000, 0.0013885600000000 ] - [ 0.0001855400000000, -0.0090933800000000, -0.0133116400000000 ] - [ 0.0049354000000000, 0.0062912400000000, -0.0022704800000000 ] - [ 0.0117760200000000, 0.0112509200000000, 0.0061114200000000 ] - [ -0.0002022000000000, -0.0016063200000000, -0.0000094000000000 ] - [ -0.0011085800000000, 0.0014171900000000, -0.0130499400000000 ] - [ -0.0011085800000000, -0.0014171900000000, -0.0130499400000000 ] - [ 0.0117760200000000, -0.0112509200000000, 0.0061114200000000 ] - [ -0.0002022000000000, 0.0016063200000000, -0.0000094000000000 ] - [ 0.0413988200000000, -0.0410813400000000, -0.0185869800000000 ] - [ 0.0033039800000000, -0.0079880700000000, -0.0003550300000000 ] - [ 0.0021501500000000, 0.0001158000000000, -0.0003020000000000 ] - [ 0.0011661300000000, 0.0009709500000000, -0.0001034300000000 ] - [ 0.0021501500000000, -0.0001158000000000, -0.0003020000000000 ] - [ 0.0011661300000000, -0.0009709500000000, -0.0001034300000000 ] - [ 0.0006312400000000, 0.0000000000000000, 0.0003984200000000 ] - [ -0.0008604200000000, 0.0000000000000000, -0.0021041800000000 ] - [ -0.0084715700000000, 0.0027442600000000, 0.0011704000000000 ] - [ -0.0065933900000000, 0.0047735800000000, 0.0008677200000000 ] - [ -0.0084715700000000, -0.0027442600000000, 0.0011704000000000 ] - [ -0.0065933900000000, -0.0047735800000000, 0.0008677200000000 ] - [ 0.0009513100000000, -0.0014781600000000, 0.0017022200000000 ] - [ 0.0009513100000000, 0.0014781600000000, 0.0017022200000000 ] - [ 0.0005856800000000, -0.0011311500000000, -0.0071834900000000 ] - [ 0.0005856800000000, 0.0011311500000000, -0.0071834900000000 ] - [ 0.0000616700000000, 0.0002680700000000, 0.0024329900000000 ] - [ 0.0000616700000000, -0.0002680700000000, 0.0024329900000000 ] - [ -0.0001530500000000, 0.0000000000000000, 0.0002512900000000 ] - [ -0.0001946900000000, 0.0000000000000000, -0.0026925100000000 ] - [ -0.0012111400000000, -0.0001747200000000, 0.0020680100000000 ] - [ -0.0016658500000000, 0.0013325000000000, 0.0010629500000000 ] - [ 0.0018786700000000, -0.0003828700000000, -0.0002515200000000 ] - [ 0.0011806600000000, -0.0015623600000000, -0.0010513400000000 ] - [ -0.0008757200000000, -0.0007628100000000, 0.0008866400000000 ] - [ -0.0013699200000000, -0.0008660400000000, 0.0002879000000000 ] - [ 0.0018786700000000, 0.0003828700000000, -0.0002515200000000 ] - [ 0.0011806600000000, 0.0015623600000000, -0.0010513400000000 ] - [ -0.0012111400000000, 0.0001747200000000, 0.0020680100000000 ] - [ -0.0016658500000000, -0.0013325000000000, 0.0010629500000000 ] - [ 0.0084658400000000, 0.0089107900000000, 0.0065680600000000 ] - [ 0.0004454200000000, -0.0018350900000000, 0.0008078800000000 ] - [ -0.0004304800000000, 0.0000000000000000, 0.0174716500000000 ] - [ -0.0002841200000000, 0.0000000000000000, 0.0028590300000000 ] - [ 0.0084658400000000, -0.0089107900000000, 0.0065680600000000 ] - [ 0.0004454200000000, 0.0018350900000000, 0.0008078800000000 ] - [ -0.0008757200000000, 0.0007628100000000, 0.0008866400000000 ] - [ -0.0013699200000000, 0.0008660400000000, 0.0002879000000000 ] - [ -0.0101636500000000, -0.0082046100000000, 0.0070515100000000 ] - [ -0.0025923800000000, -0.0010647700000000, 0.0020520000000000 ] - [ -0.0101636500000000, 0.0082046100000000, 0.0070515100000000 ] - [ -0.0025923800000000, 0.0010647700000000, 0.0020520000000000 ]- atom: 15 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0237447100000000, -0.0014339300000000, -0.0022889300000000 ] - [ -0.0237447100000000, 0.0014339300000000, -0.0022889300000000 ] - [ 0.0205704400000000, 0.0000000000000000, 0.0288334000000000 ] - [ 0.0002746400000000, 0.0000000000000000, 0.0041031000000000 ] - [ 0.0035139800000000, 0.0000000000000000, 0.0015248600000000 ] - [ 0.0030287100000000, 0.0000000000000000, 0.0014379100000000 ] - [ 0.0032032500000000, 0.0001200600000000, -0.0031239900000000 ] - [ 0.0032032500000000, -0.0001200600000000, -0.0031239900000000 ] - [ 0.0449370000000000, 0.0484568300000000, -0.0026364800000000 ] - [ 0.0449370000000000, -0.0484568300000000, -0.0026364800000000 ] - [ 0.0026631500000000, 0.0001966600000000, 0.0132566800000000 ] - [ 0.0026631500000000, -0.0001966600000000, 0.0132566800000000 ] - [ -0.0040215300000000, 0.0000000000000000, -0.0112289400000000 ] - [ -0.0022490100000000, 0.0000000000000000, -0.0017525600000000 ] - [ -0.2431556100000000, 0.0000000000000000, -0.0031929400000000 ] - [ -0.0279630200000000, 0.0000000000000000, -0.0029770500000000 ] - [ 0.0362974800000000, -0.0448222700000000, -0.0067521900000000 ] - [ 0.0362974800000000, 0.0448222700000000, -0.0067521900000000 ] - [ -0.0048144900000000, -0.0013190100000000, -0.0268232800000000 ] - [ -0.0048144900000000, 0.0013190100000000, -0.0268232800000000 ] - [ 0.0204182700000000, 0.0000000000000000, 0.0014737900000000 ] - [ 0.0139503100000000, 0.0000000000000000, 0.0021539000000000 ] - [ -0.0063359600000000, 0.0000000000000000, -0.0012022500000000 ] - [ -0.0021399000000000, 0.0000000000000000, -0.0028746700000000 ] - [ 0.0021547800000000, -0.0019891200000000, 0.0099528900000000 ] - [ 0.0021547800000000, 0.0019891200000000, 0.0099528900000000 ] - [ 0.0096706300000000, -0.0007191700000000, 0.0043772300000000 ] - [ 0.0096706300000000, 0.0007191700000000, 0.0043772300000000 ] - [ 0.0165156100000000, 0.0000000000000000, 0.0025427000000000 ] - [ 0.0119675400000000, 0.0000000000000000, 0.0022555900000000 ] - [ 0.0099353800000000, 0.0000000000000000, 0.0101600000000000 ] - [ 0.0094176600000000, 0.0000000000000000, 0.0082028700000000 ] - [ -0.0031966800000000, -0.0043062600000000, 0.0200647100000000 ] - [ -0.0031966800000000, 0.0043062600000000, 0.0200647100000000 ] - [ -0.0037878400000000, 0.0027001500000000, -0.0016855200000000 ] - [ -0.0038289300000000, 0.0030241700000000, -0.0015699100000000 ] - [ -0.0037878400000000, -0.0027001500000000, -0.0016855200000000 ] - [ -0.0038289300000000, -0.0030241700000000, -0.0015699100000000 ] - [ -0.0013734500000000, 0.0000000000000000, 0.0019537100000000 ] - [ -0.0010853900000000, 0.0000000000000000, 0.0012690100000000 ] - [ 0.0172176000000000, 0.0000000000000000, 0.0175110700000000 ] - [ 0.0034826700000000, 0.0000000000000000, 0.0022420000000000 ] - [ 0.0099395000000000, 0.0000000000000000, -0.0062398500000000 ] - [ 0.0011949600000000, 0.0000000000000000, 0.0014243500000000 ] - [ -0.0025749600000000, -0.0032194600000000, -0.0150453000000000 ] - [ -0.0025749600000000, 0.0032194600000000, -0.0150453000000000 ] - [ 0.0016757000000000, -0.0016527700000000, -0.0004522900000000 ] - [ 0.0003331000000000, -0.0007136500000000, -0.0005288800000000 ] - [ 0.0468425800000000, -0.0369142400000000, -0.0067862300000000 ] - [ 0.0103909500000000, -0.0149558400000000, 0.0011777300000000 ] - [ 0.0010806300000000, -0.0002465300000000, 0.0031692400000000 ] - [ 0.0009982100000000, 0.0003885200000000, 0.0027044900000000 ] - [ 0.0468425800000000, 0.0369142400000000, -0.0067862300000000 ] - [ 0.0103909500000000, 0.0149558400000000, 0.0011777300000000 ] - [ 0.0016757000000000, 0.0016527700000000, -0.0004522900000000 ] - [ 0.0003331000000000, 0.0007136500000000, -0.0005288800000000 ] - [ 0.0186129500000000, -0.0000944000000000, -0.0004173400000000 ] - [ 0.0090636600000000, 0.0132463600000000, -0.0012362500000000 ] - [ -0.0018776900000000, 0.0024611300000000, 0.0180379600000000 ] - [ -0.0018776900000000, -0.0024611300000000, 0.0180379600000000 ] - [ 0.0186129500000000, 0.0000944000000000, -0.0004173400000000 ] - [ 0.0090636600000000, -0.0132463600000000, -0.0012362500000000 ] - [ 0.0010806300000000, 0.0002465300000000, 0.0031692400000000 ] - [ 0.0009982100000000, -0.0003885200000000, 0.0027044900000000 ] - [ -0.0128967700000000, -0.0034906700000000, -0.0002424800000000 ] - [ -0.0087021300000000, -0.0096743000000000, -0.0023125100000000 ] - [ -0.0128967700000000, 0.0034906700000000, -0.0002424800000000 ] - [ -0.0087021300000000, 0.0096743000000000, -0.0023125100000000 ] - [ -0.0039024700000000, 0.0000000000000000, -0.0064682200000000 ] - [ -0.0031984700000000, 0.0000000000000000, -0.0057987200000000 ] - [ 0.0043436800000000, -0.0034552500000000, 0.0019474100000000 ] - [ 0.0023382200000000, -0.0011536900000000, 0.0014303200000000 ] - [ 0.0043436800000000, 0.0034552500000000, 0.0019474100000000 ] - [ 0.0023382200000000, 0.0011536900000000, 0.0014303200000000 ] - [ -0.0021991200000000, 0.0056930200000000, -0.0106306200000000 ] - [ -0.0021991200000000, -0.0056930200000000, -0.0106306200000000 ] - [ -0.0015188000000000, 0.0000874900000000, -0.0023192600000000 ] - [ -0.0015188000000000, -0.0000874900000000, -0.0023192600000000 ] - [ -0.0005095000000000, 0.0002980800000000, -0.0043808600000000 ] - [ -0.0005095000000000, -0.0002980800000000, -0.0043808600000000 ] - [ -0.0005870700000000, 0.0000000000000000, 0.0029981500000000 ] - [ -0.0007391200000000, 0.0000000000000000, 0.0023534900000000 ] - [ 0.0020232700000000, 0.0000514800000000, -0.0021016000000000 ] - [ 0.0019318300000000, -0.0005095800000000, -0.0003060100000000 ] - [ -0.0064583600000000, 0.0036176700000000, -0.0009914900000000 ] - [ -0.0045779000000000, 0.0025657500000000, -0.0010589100000000 ] - [ -0.0037635800000000, -0.0007334000000000, -0.0027022000000000 ] - [ -0.0036689100000000, -0.0025731500000000, -0.0017684500000000 ] - [ -0.0064583600000000, -0.0036176700000000, -0.0009914900000000 ] - [ -0.0045779000000000, -0.0025657500000000, -0.0010589100000000 ] - [ 0.0020232700000000, -0.0000514800000000, -0.0021016000000000 ] - [ 0.0019318300000000, 0.0005095800000000, -0.0003060100000000 ] - [ -0.0057884200000000, -0.0028051900000000, 0.0001889700000000 ] - [ -0.0048903400000000, -0.0025917500000000, 0.0000620400000000 ] - [ -0.0012951600000000, 0.0000000000000000, -0.0069838900000000 ] - [ -0.0008724400000000, 0.0000000000000000, -0.0063108400000000 ] - [ -0.0057884200000000, 0.0028051900000000, 0.0001889700000000 ] - [ -0.0048903400000000, 0.0025917500000000, 0.0000620400000000 ] - [ -0.0037635800000000, 0.0007334000000000, -0.0027022000000000 ] - [ -0.0036689100000000, 0.0025731500000000, -0.0017684500000000 ] - [ -0.0108410500000000, -0.0029823300000000, 0.0010888000000000 ] - [ -0.0101752700000000, -0.0088404500000000, 0.0019975700000000 ] - [ -0.0108410500000000, 0.0029823300000000, 0.0010888000000000 ] - [ -0.0101752700000000, 0.0088404500000000, 0.0019975700000000 ]- atom: 15 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0238859300000000, 0.0014189900000000, 0.0019884600000000 ] - [ 0.0238859300000000, -0.0014189900000000, 0.0019884600000000 ] - [ -0.0191223000000000, 0.0000000000000000, -0.0282204600000000 ] - [ 0.0007826300000000, 0.0000000000000000, -0.0039477500000000 ] - [ -0.0031747000000000, 0.0000000000000000, -0.0017901900000000 ] - [ -0.0026924400000000, 0.0000000000000000, -0.0017245200000000 ] - [ -0.0021424600000000, -0.0001054000000000, 0.0032616000000000 ] - [ -0.0021424600000000, 0.0001054000000000, 0.0032616000000000 ] - [ -0.0450741000000000, -0.0483100800000000, 0.0022967100000000 ] - [ -0.0450741000000000, 0.0483100800000000, 0.0022967100000000 ] - [ -0.0019244300000000, -0.0001688500000000, -0.0128801800000000 ] - [ -0.0019244300000000, 0.0001688500000000, -0.0128801800000000 ] - [ 0.0040892100000000, 0.0000000000000000, 0.0130741300000000 ] - [ 0.0024235600000000, 0.0000000000000000, 0.0030315600000000 ] - [ 0.2464896400000000, 0.0000000000000000, 0.0008478300000000 ] - [ 0.0286961100000000, 0.0000000000000000, 0.0029653900000000 ] - [ -0.0359724400000000, 0.0442933000000000, 0.0064322300000000 ] - [ -0.0359724400000000, -0.0442933000000000, 0.0064322300000000 ] - [ 0.0046817000000000, 0.0013532100000000, 0.0262564300000000 ] - [ 0.0046817000000000, -0.0013532100000000, 0.0262564300000000 ] - [ -0.0205631200000000, 0.0000000000000000, -0.0017897400000000 ] - [ -0.0142114600000000, 0.0000000000000000, -0.0024892900000000 ] - [ 0.0068584600000000, 0.0000000000000000, 0.0016007600000000 ] - [ 0.0027527000000000, 0.0000000000000000, 0.0031778400000000 ] - [ -0.0019332500000000, 0.0019492900000000, -0.0085559300000000 ] - [ -0.0019332500000000, -0.0019492900000000, -0.0085559300000000 ] - [ -0.0086490100000000, 0.0006998900000000, -0.0042975800000000 ] - [ -0.0086490100000000, -0.0006998900000000, -0.0042975800000000 ] - [ -0.0165187500000000, 0.0000000000000000, -0.0027166600000000 ] - [ -0.0119584500000000, 0.0000000000000000, -0.0024439100000000 ] - [ -0.0098378500000000, 0.0000000000000000, -0.0104534100000000 ] - [ -0.0093208200000000, 0.0000000000000000, -0.0085103200000000 ] - [ 0.0023058200000000, 0.0042905500000000, -0.0195336000000000 ] - [ 0.0023058200000000, -0.0042905500000000, -0.0195336000000000 ] - [ 0.0036616000000000, -0.0028718600000000, 0.0014074900000000 ] - [ 0.0037086300000000, -0.0031954600000000, 0.0012902900000000 ] - [ 0.0036616000000000, 0.0028718600000000, 0.0014074900000000 ] - [ 0.0037086300000000, 0.0031954600000000, 0.0012902900000000 ] - [ 0.0012450600000000, 0.0000000000000000, -0.0023474000000000 ] - [ 0.0009564500000000, 0.0000000000000000, -0.0016663200000000 ] - [ -0.0172645000000000, 0.0000000000000000, -0.0174182700000000 ] - [ -0.0032629000000000, 0.0000000000000000, -0.0014199800000000 ] - [ -0.0107378500000000, 0.0000000000000000, 0.0070429400000000 ] - [ -0.0017213300000000, 0.0000000000000000, -0.0012208600000000 ] - [ 0.0025758300000000, 0.0032272200000000, 0.0140917300000000 ] - [ 0.0025758300000000, -0.0032272200000000, 0.0140917300000000 ] - [ -0.0014744500000000, 0.0016253700000000, 0.0002080800000000 ] - [ -0.0000801700000000, 0.0006328000000000, 0.0003201400000000 ] - [ -0.0493781200000000, 0.0406486800000000, 0.0071309900000000 ] - [ -0.0104061400000000, 0.0150603500000000, -0.0014298200000000 ] - [ -0.0013997200000000, -0.0000319000000000, -0.0030531300000000 ] - [ -0.0014024400000000, -0.0007736100000000, -0.0025382600000000 ] - [ -0.0493781200000000, -0.0406486800000000, 0.0071309900000000 ] - [ -0.0104061400000000, -0.0150603500000000, -0.0014298200000000 ] - [ -0.0014744500000000, -0.0016253700000000, 0.0002080800000000 ] - [ -0.0000801700000000, -0.0006328000000000, 0.0003201400000000 ] - [ -0.0179211400000000, 0.0010002200000000, 0.0006186200000000 ] - [ -0.0094365800000000, -0.0135669900000000, 0.0011928600000000 ] - [ 0.0022693100000000, -0.0024329200000000, -0.0180185900000000 ] - [ 0.0022693100000000, 0.0024329200000000, -0.0180185900000000 ] - [ -0.0179211400000000, -0.0010002200000000, 0.0006186200000000 ] - [ -0.0094365800000000, 0.0135669900000000, 0.0011928600000000 ] - [ -0.0013997200000000, 0.0000319000000000, -0.0030531300000000 ] - [ -0.0014024400000000, 0.0007736100000000, -0.0025382600000000 ] - [ 0.0126584900000000, 0.0032192000000000, 0.0006154800000000 ] - [ 0.0085310300000000, 0.0093488900000000, 0.0026711700000000 ] - [ 0.0126584900000000, -0.0032192000000000, 0.0006154800000000 ] - [ 0.0085310300000000, -0.0093488900000000, 0.0026711700000000 ] - [ 0.0029558200000000, 0.0000000000000000, 0.0068078000000000 ] - [ 0.0022654800000000, 0.0000000000000000, 0.0061552700000000 ] - [ -0.0043652100000000, 0.0032070900000000, -0.0021954800000000 ] - [ -0.0023748300000000, 0.0009264000000000, -0.0016960000000000 ] - [ -0.0043652100000000, -0.0032070900000000, -0.0021954800000000 ] - [ -0.0023748300000000, -0.0009264000000000, -0.0016960000000000 ] - [ 0.0020516300000000, -0.0056089600000000, 0.0101374900000000 ] - [ 0.0020516300000000, 0.0056089600000000, 0.0101374900000000 ] - [ 0.0016852200000000, -0.0000921000000000, 0.0030802400000000 ] - [ 0.0016852200000000, 0.0000921000000000, 0.0030802400000000 ] - [ -0.0000295200000000, -0.0002928700000000, 0.0045172900000000 ] - [ -0.0000295200000000, 0.0002928700000000, 0.0045172900000000 ] - [ 0.0005790200000000, 0.0000000000000000, -0.0038704500000000 ] - [ 0.0007386000000000, 0.0000000000000000, -0.0032024500000000 ] - [ -0.0017621700000000, -0.0000909300000000, 0.0018445800000000 ] - [ -0.0016504000000000, 0.0004153500000000, 0.0000896800000000 ] - [ 0.0062932800000000, -0.0033710600000000, 0.0007156300000000 ] - [ 0.0044475800000000, -0.0023400000000000, 0.0007859800000000 ] - [ 0.0033131700000000, 0.0003553300000000, 0.0028179600000000 ] - [ 0.0032178300000000, 0.0021631900000000, 0.0018974000000000 ] - [ 0.0062932800000000, 0.0033710600000000, 0.0007156300000000 ] - [ 0.0044475800000000, 0.0023400000000000, 0.0007859800000000 ] - [ -0.0017621700000000, 0.0000909300000000, 0.0018445800000000 ] - [ -0.0016504000000000, -0.0004153500000000, 0.0000896800000000 ] - [ 0.0053069000000000, 0.0023409800000000, -0.0002258800000000 ] - [ 0.0044132700000000, 0.0021249100000000, -0.0000953500000000 ] - [ 0.0017097800000000, 0.0000000000000000, 0.0068002200000000 ] - [ 0.0012811900000000, 0.0000000000000000, 0.0061289000000000 ] - [ 0.0053069000000000, -0.0023409800000000, -0.0002258800000000 ] - [ 0.0044132700000000, -0.0021249100000000, -0.0000953500000000 ] - [ 0.0033131700000000, -0.0003553300000000, 0.0028179600000000 ] - [ 0.0032178300000000, -0.0021631900000000, 0.0018974000000000 ] - [ 0.0106531500000000, 0.0026402900000000, -0.0007272200000000 ] - [ 0.0099975600000000, 0.0085154300000000, -0.0016218500000000 ] - [ 0.0106531500000000, -0.0026402900000000, -0.0007272200000000 ] - [ 0.0099975600000000, -0.0085154300000000, -0.0016218500000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058367200000000, 0.0247595800000000, -0.0331566200000000 ] - [ 0.0061768600000000, 0.0251413500000000, 0.0332950500000000 ] - [ 0.0005196800000000, -0.0212226700000000, 0.0000936000000000 ] - [ 0.0005286600000000, 0.0084018900000000, 0.0000620400000000 ] - [ 0.0001706600000000, -0.0023685400000000, -0.0001384100000000 ] - [ 0.0001681200000000, 0.0020788400000000, -0.0001508400000000 ] - [ 0.0045049800000000, 0.0003811600000000, -0.0010625800000000 ] - [ -0.0034820400000000, 0.0003652200000000, 0.0011995400000000 ] - [ 0.0639901400000000, 0.0545966800000000, 0.0022681700000000 ] - [ -0.0644984300000000, 0.0546606700000000, -0.0026405000000000 ] - [ 0.0016443800000000, 0.0004288000000000, 0.0139642700000000 ] - [ -0.0009506900000000, 0.0003957400000000, -0.0136286100000000 ] - [ 0.0000442500000000, -0.0126422900000000, 0.0009158800000000 ] - [ 0.0000891900000000, 0.0116215200000000, 0.0006347600000000 ] - [ 0.0036105700000000, -0.2894120100000000, -0.0014809300000000 ] - [ 0.0004587600000000, 0.0402061800000000, -0.0000123000000000 ] - [ -0.0462447300000000, 0.0415354700000000, 0.0012814500000000 ] - [ 0.0464169100000000, 0.0417789500000000, -0.0015903300000000 ] - [ 0.0004104000000000, 0.0008549800000000, -0.0024743400000000 ] - [ -0.0005195400000000, 0.0008038000000000, 0.0020522100000000 ] - [ -0.0001543700000000, -0.0164110400000000, -0.0001575300000000 ] - [ -0.0001665200000000, 0.0133712500000000, -0.0001724600000000 ] - [ 0.0002838700000000, -0.0138539900000000, 0.0002127200000000 ] - [ 0.0003095300000000, 0.0126614800000000, 0.0001800300000000 ] - [ -0.0017086400000000, -0.0002535500000000, -0.0079423600000000 ] - [ 0.0019328400000000, -0.0002418100000000, 0.0093245000000000 ] - [ 0.0011926700000000, 0.0008248100000000, -0.0001062400000000 ] - [ -0.0002332100000000, 0.0008205000000000, 0.0001477600000000 ] - [ -0.0000188600000000, -0.0194966400000000, -0.0001063300000000 ] - [ -0.0000169600000000, 0.0155741200000000, -0.0001113500000000 ] - [ 0.0000301800000000, -0.0055693700000000, -0.0001658600000000 ] - [ 0.0000316100000000, 0.0067850500000000, -0.0001678100000000 ] - [ -0.0061467600000000, -0.0047996200000000, 0.0137583000000000 ] - [ 0.0052883200000000, -0.0047986800000000, -0.0133029800000000 ] - [ -0.0023620300000000, 0.0027926000000000, -0.0009222600000000 ] - [ 0.0027991700000000, -0.0036878500000000, 0.0008611900000000 ] - [ 0.0022598900000000, 0.0029889000000000, 0.0006489400000000 ] - [ -0.0029003800000000, -0.0034967300000000, -0.0011320100000000 ] - [ -0.0000574700000000, 0.0027922700000000, -0.0001954800000000 ] - [ -0.0000558400000000, -0.0027275000000000, -0.0001970400000000 ] - [ -0.0000064600000000, 0.0206378600000000, -0.0000373200000000 ] - [ 0.0000932300000000, -0.0063973000000000, 0.0003983700000000 ] - [ -0.0003747300000000, 0.0124107100000000, 0.0004140600000000 ] - [ -0.0002684200000000, -0.0029587500000000, 0.0001095500000000 ] - [ -0.0036740600000000, -0.0032965200000000, -0.0175164400000000 ] - [ 0.0037013300000000, -0.0033109200000000, 0.0166080400000000 ] - [ -0.0016203200000000, 0.0032370600000000, 0.0009889200000000 ] - [ 0.0014799300000000, -0.0027984700000000, -0.0010381300000000 ] - [ -0.0434371500000000, 0.0638510200000000, 0.0117338100000000 ] - [ 0.0083608800000000, -0.0245456400000000, -0.0010723200000000 ] - [ 0.0037540700000000, 0.0044132700000000, 0.0000266300000000 ] - [ -0.0051706300000000, -0.0058318300000000, 0.0014795300000000 ] - [ 0.0392108000000000, 0.0597494900000000, -0.0111888800000000 ] - [ -0.0084041200000000, -0.0247645700000000, 0.0008171900000000 ] - [ 0.0018327500000000, 0.0032722300000000, -0.0012206600000000 ] - [ -0.0012173300000000, -0.0027122900000000, 0.0008413600000000 ] - [ -0.0093151300000000, 0.0035217700000000, -0.0018157100000000 ] - [ -0.0036216400000000, -0.0164287300000000, 0.0012321000000000 ] - [ 0.0026249200000000, -0.0021062700000000, -0.0093468500000000 ] - [ -0.0022260500000000, -0.0021221300000000, 0.0092712700000000 ] - [ 0.0100624300000000, 0.0028325800000000, 0.0019970900000000 ] - [ 0.0031736900000000, -0.0160193000000000, -0.0012644100000000 ] - [ -0.0040793900000000, 0.0047050100000000, 0.0000879000000000 ] - [ 0.0047681100000000, -0.0054392300000000, -0.0013153400000000 ] - [ 0.0162046300000000, 0.0106987600000000, 0.0014252100000000 ] - [ -0.0117790300000000, -0.0140939500000000, -0.0030071100000000 ] - [ -0.0163462500000000, 0.0109659500000000, -0.0010621300000000 ] - [ 0.0116713500000000, -0.0138108600000000, 0.0033808000000000 ] - [ -0.0004645800000000, 0.0017020000000000, 0.0001857900000000 ] - [ -0.0004610300000000, -0.0018749200000000, 0.0001931500000000 ] - [ -0.0039220000000000, 0.0056790100000000, -0.0022057200000000 ] - [ 0.0032543900000000, -0.0058617200000000, 0.0015664100000000 ] - [ 0.0038837800000000, 0.0059072300000000, 0.0019364800000000 ] - [ -0.0033032700000000, -0.0056399000000000, -0.0018429700000000 ] - [ 0.0054427400000000, -0.0046488700000000, 0.0114238900000000 ] - [ -0.0056035200000000, -0.0046888600000000, -0.0118795600000000 ] - [ -0.0002937200000000, -0.0000835600000000, -0.0013332900000000 ] - [ 0.0004635800000000, -0.0000793200000000, 0.0021186600000000 ] - [ -0.0004605800000000, -0.0001907700000000, 0.0023969300000000 ] - [ -0.0000766400000000, -0.0001934400000000, -0.0022471300000000 ] - [ -0.0000004200000000, 0.0018667100000000, -0.0004634400000000 ] - [ 0.0000021100000000, -0.0014935600000000, -0.0004425700000000 ] - [ -0.0011019500000000, 0.0045219300000000, 0.0020129700000000 ] - [ 0.0006000700000000, -0.0044979300000000, -0.0026197700000000 ] - [ -0.0006679700000000, 0.0012743300000000, -0.0002359300000000 ] - [ 0.0010260500000000, -0.0015954700000000, 0.0001121000000000 ] - [ 0.0012517700000000, 0.0024027100000000, 0.0000998500000000 ] - [ -0.0023429200000000, -0.0028565800000000, -0.0008303800000000 ] - [ 0.0005550900000000, 0.0010606700000000, -0.0000347700000000 ] - [ -0.0011396300000000, -0.0018079100000000, -0.0003828500000000 ] - [ 0.0013550200000000, 0.0045946000000000, -0.0022522800000000 ] - [ -0.0003307500000000, -0.0043963300000000, 0.0023984800000000 ] - [ -0.0011247200000000, 0.0014005900000000, -0.0002571000000000 ] - [ -0.0003052600000000, -0.0023636800000000, 0.0004716300000000 ] - [ 0.0002092600000000, 0.0013399700000000, -0.0000746000000000 ] - [ 0.0002081300000000, -0.0013599300000000, -0.0000728900000000 ] - [ 0.0006589200000000, 0.0018676800000000, 0.0002246900000000 ] - [ -0.0001546400000000, -0.0019009900000000, -0.0005051200000000 ] - [ -0.0016913300000000, 0.0027934100000000, 0.0000315600000000 ] - [ 0.0019036200000000, -0.0024512100000000, 0.0009688800000000 ] - [ 0.0164519400000000, 0.0092706800000000, 0.0002973200000000 ] - [ -0.0139974500000000, -0.0134411000000000, 0.0014258000000000 ] - [ -0.0165794300000000, 0.0095920000000000, 0.0000580700000000 ] - [ 0.0138495100000000, -0.0131459300000000, -0.0010540400000000 ]- atom: 15 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0132781800000000, -0.0240286000000000, 0.0040987500000000 ] - [ 0.0132781800000000, 0.0240286000000000, 0.0040987500000000 ] - [ 0.0156609000000000, 0.0000000000000000, -0.0161329200000000 ] - [ 0.0017313800000000, 0.0000000000000000, -0.0028075100000000 ] - [ 0.0043699200000000, 0.0000000000000000, 0.0031801600000000 ] - [ -0.0002676500000000, 0.0000000000000000, 0.0002628200000000 ] - [ -0.0011317400000000, 0.0046477400000000, 0.0064063400000000 ] - [ -0.0011317400000000, -0.0046477400000000, 0.0064063400000000 ] - [ -0.0348575800000000, -0.0311335800000000, -0.0041584000000000 ] - [ -0.0348575800000000, 0.0311335800000000, -0.0041584000000000 ] - [ 0.0096111200000000, 0.0087195600000000, -0.0077480800000000 ] - [ 0.0096111200000000, -0.0087195600000000, -0.0077480800000000 ] - [ -0.0084407800000000, 0.0000000000000000, 0.1101484500000000 ] - [ -0.0004616600000000, 0.0000000000000000, 0.0003195300000000 ] - [ 0.1396159600000000, 0.0000000000000000, -0.2241760900000000 ] - [ 0.0142592900000000, 0.0000000000000000, -0.0030258400000000 ] - [ -0.0204576100000000, 0.0236081100000000, -0.0024204600000000 ] - [ -0.0204576100000000, -0.0236081100000000, -0.0024204600000000 ] - [ -0.0216946000000000, 0.0055140500000000, 0.0168161400000000 ] - [ -0.0216946000000000, -0.0055140500000000, 0.0168161400000000 ] - [ -0.0083365600000000, 0.0000000000000000, 0.0069522500000000 ] - [ -0.0059527000000000, 0.0000000000000000, 0.0002420700000000 ] - [ -0.0046951600000000, 0.0000000000000000, 0.0536968400000000 ] - [ -0.0017651600000000, 0.0000000000000000, 0.0035772500000000 ] - [ 0.0064775300000000, -0.0059777200000000, -0.0011812600000000 ] - [ 0.0064775300000000, 0.0059777200000000, -0.0011812600000000 ] - [ -0.0012338000000000, 0.0005094100000000, 0.0033662200000000 ] - [ -0.0012338000000000, -0.0005094100000000, 0.0033662200000000 ] - [ -0.0101068100000000, 0.0000000000000000, 0.0072177600000000 ] - [ -0.0068005800000000, 0.0000000000000000, 0.0001483900000000 ] - [ 0.0039647200000000, 0.0000000000000000, -0.0013768700000000 ] - [ 0.0017801400000000, 0.0000000000000000, -0.0036390300000000 ] - [ 0.0052553400000000, 0.0023550700000000, -0.0126534100000000 ] - [ 0.0052553400000000, -0.0023550700000000, -0.0126534100000000 ] - [ -0.0021529800000000, 0.0001358800000000, 0.0003653500000000 ] - [ -0.0011984100000000, 0.0009253000000000, 0.0001912400000000 ] - [ -0.0021529800000000, -0.0001358800000000, 0.0003653500000000 ] - [ -0.0011984100000000, -0.0009253000000000, 0.0001912400000000 ] - [ -0.0021685700000000, 0.0000000000000000, -0.0176260100000000 ] - [ 0.0006392500000000, 0.0000000000000000, -0.0016096400000000 ] - [ -0.0146495700000000, 0.0000000000000000, 0.0082255000000000 ] - [ -0.0012038700000000, 0.0000000000000000, 0.0003673500000000 ] - [ -0.0044310900000000, 0.0000000000000000, 0.0654112900000000 ] - [ -0.0010288500000000, 0.0000000000000000, 0.0026646000000000 ] - [ 0.0012458700000000, 0.0013148400000000, 0.0129582100000000 ] - [ 0.0012458700000000, -0.0013148400000000, 0.0129582100000000 ] - [ -0.0117229500000000, 0.0112206400000000, -0.0061807200000000 ] - [ 0.0001211500000000, -0.0013845700000000, -0.0001035500000000 ] - [ -0.0383560500000000, 0.0375638400000000, 0.0195170800000000 ] - [ -0.0038765800000000, 0.0086758900000000, 0.0001737300000000 ] - [ 0.0156752200000000, 0.0187620400000000, -0.0093200800000000 ] - [ 0.0017935300000000, -0.0009885800000000, -0.0014724900000000 ] - [ -0.0383560500000000, -0.0375638400000000, 0.0195170800000000 ] - [ -0.0038765800000000, -0.0086758900000000, 0.0001737300000000 ] - [ -0.0117229500000000, -0.0112206400000000, -0.0061807200000000 ] - [ 0.0001211500000000, 0.0013845700000000, -0.0001035500000000 ] - [ 0.0002134400000000, 0.0093049900000000, 0.0139066200000000 ] - [ -0.0051389100000000, -0.0066925700000000, 0.0021178300000000 ] - [ 0.0032769700000000, -0.0019910200000000, -0.0072966400000000 ] - [ 0.0032769700000000, 0.0019910200000000, -0.0072966400000000 ] - [ 0.0002134400000000, -0.0093049900000000, 0.0139066200000000 ] - [ -0.0051389100000000, 0.0066925700000000, 0.0021178300000000 ] - [ 0.0156752200000000, -0.0187620400000000, -0.0093200800000000 ] - [ 0.0017935300000000, 0.0009885800000000, -0.0014724900000000 ] - [ 0.0066113300000000, 0.0027303900000000, 0.0012966900000000 ] - [ 0.0038817200000000, 0.0044629800000000, 0.0021109200000000 ] - [ 0.0066113300000000, -0.0027303900000000, 0.0012966900000000 ] - [ 0.0038817200000000, -0.0044629800000000, 0.0021109200000000 ] - [ -0.0014432300000000, 0.0000000000000000, 0.0000725200000000 ] - [ 0.0000257100000000, 0.0000000000000000, 0.0026328000000000 ] - [ 0.0102336700000000, -0.0083422300000000, -0.0070343800000000 ] - [ 0.0023044300000000, -0.0009964100000000, -0.0019317400000000 ] - [ 0.0102336700000000, 0.0083422300000000, -0.0070343800000000 ] - [ 0.0023044300000000, 0.0009964100000000, -0.0019317400000000 ] - [ -0.0005461900000000, -0.0012557000000000, 0.0073827500000000 ] - [ -0.0005461900000000, 0.0012557000000000, 0.0073827500000000 ] - [ -0.0008853200000000, -0.0014964700000000, -0.0015059300000000 ] - [ -0.0008853200000000, 0.0014964700000000, -0.0015059300000000 ] - [ -0.0006453300000000, 0.0002796300000000, -0.0022180000000000 ] - [ -0.0006453300000000, -0.0002796300000000, -0.0022180000000000 ] - [ 0.0009424800000000, 0.0000000000000000, -0.0183199300000000 ] - [ 0.0005293800000000, 0.0000000000000000, -0.0034538000000000 ] - [ -0.0086038600000000, 0.0092339300000000, -0.0066410700000000 ] - [ -0.0005228000000000, -0.0016403400000000, -0.0009207400000000 ] - [ 0.0007839100000000, -0.0005358900000000, -0.0009265700000000 ] - [ 0.0012137300000000, -0.0006214400000000, -0.0003257800000000 ] - [ -0.0020266300000000, -0.0007034300000000, 0.0003067900000000 ] - [ -0.0013565400000000, -0.0018392600000000, 0.0009936300000000 ] - [ 0.0007839100000000, 0.0005358900000000, -0.0009265700000000 ] - [ 0.0012137300000000, 0.0006214400000000, -0.0003257800000000 ] - [ -0.0086038600000000, -0.0092339300000000, -0.0066410700000000 ] - [ -0.0005228000000000, 0.0016403400000000, -0.0009207400000000 ] - [ 0.0012471600000000, -0.0003303500000000, -0.0021937900000000 ] - [ 0.0016879400000000, 0.0011639300000000, -0.0011750300000000 ] - [ 0.0003208200000000, 0.0000000000000000, -0.0005548100000000 ] - [ 0.0004155600000000, 0.0000000000000000, 0.0023412000000000 ] - [ 0.0012471600000000, 0.0003303500000000, -0.0021937900000000 ] - [ 0.0016879400000000, -0.0011639300000000, -0.0011750300000000 ] - [ -0.0020266300000000, 0.0007034300000000, 0.0003067900000000 ] - [ -0.0013565400000000, 0.0018392600000000, 0.0009936300000000 ] - [ 0.0085410400000000, 0.0028332500000000, -0.0011265100000000 ] - [ 0.0067029300000000, 0.0047767100000000, -0.0008428300000000 ] - [ 0.0085410400000000, -0.0028332500000000, -0.0011265100000000 ] - [ 0.0067029300000000, -0.0047767100000000, -0.0008428300000000 ]- atom: 15 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0129423000000000, 0.0238348400000000, -0.0043997000000000 ] - [ -0.0129423000000000, -0.0238348400000000, -0.0043997000000000 ] - [ -0.0145593100000000, 0.0000000000000000, 0.0162523400000000 ] - [ -0.0006874700000000, 0.0000000000000000, 0.0029297300000000 ] - [ -0.0040751700000000, 0.0000000000000000, -0.0034861100000000 ] - [ 0.0005804900000000, 0.0000000000000000, -0.0005741300000000 ] - [ 0.0021691400000000, -0.0046568100000000, -0.0062963200000000 ] - [ 0.0021691400000000, 0.0046568100000000, -0.0062963200000000 ] - [ 0.0345877300000000, 0.0311998200000000, 0.0037747300000000 ] - [ 0.0345877300000000, -0.0311998200000000, 0.0037747300000000 ] - [ -0.0089590100000000, -0.0087360800000000, 0.0080885700000000 ] - [ -0.0089590100000000, 0.0087360800000000, 0.0080885700000000 ] - [ 0.0084891500000000, 0.0000000000000000, -0.1093770000000000 ] - [ 0.0006354200000000, 0.0000000000000000, 0.0009780500000000 ] - [ -0.1367385500000000, 0.0000000000000000, 0.2301136100000000 ] - [ -0.0133951500000000, 0.0000000000000000, 0.0030497500000000 ] - [ 0.0204190300000000, -0.0236973900000000, 0.0022211400000000 ] - [ 0.0204190300000000, 0.0236973900000000, 0.0022211400000000 ] - [ 0.0216436200000000, -0.0055414500000000, -0.0172359700000000 ] - [ 0.0216436200000000, 0.0055414500000000, -0.0172359700000000 ] - [ 0.0079967100000000, 0.0000000000000000, -0.0072845900000000 ] - [ 0.0055932300000000, 0.0000000000000000, -0.0005814600000000 ] - [ 0.0053616000000000, 0.0000000000000000, -0.0532037000000000 ] - [ 0.0024279300000000, 0.0000000000000000, -0.0032638800000000 ] - [ -0.0062724600000000, 0.0059673400000000, 0.0024921600000000 ] - [ -0.0062724600000000, -0.0059673400000000, 0.0024921600000000 ] - [ 0.0021798500000000, -0.0005174800000000, -0.0033336200000000 ] - [ 0.0021798500000000, 0.0005174800000000, -0.0033336200000000 ] - [ 0.0100518400000000, 0.0000000000000000, -0.0074466200000000 ] - [ 0.0067380000000000, 0.0000000000000000, -0.0003756400000000 ] - [ -0.0039535000000000, 0.0000000000000000, 0.0010185900000000 ] - [ -0.0017576100000000, 0.0000000000000000, 0.0032826700000000 ] - [ -0.0061442400000000, -0.0023431400000000, 0.0130841000000000 ] - [ -0.0061442400000000, 0.0023431400000000, 0.0130841000000000 ] - [ 0.0020638100000000, -0.0003248200000000, -0.0006364500000000 ] - [ 0.0011028300000000, -0.0011133900000000, -0.0004616900000000 ] - [ 0.0020638100000000, 0.0003248200000000, -0.0006364500000000 ] - [ 0.0011028300000000, 0.0011133900000000, -0.0004616900000000 ] - [ 0.0020607400000000, 0.0000000000000000, 0.0172571200000000 ] - [ -0.0007542200000000, 0.0000000000000000, 0.0012166900000000 ] - [ 0.0151300500000000, 0.0000000000000000, -0.0051342800000000 ] - [ 0.0013965000000000, 0.0000000000000000, 0.0004339500000000 ] - [ 0.0036354700000000, 0.0000000000000000, -0.0721544900000000 ] - [ 0.0004966900000000, 0.0000000000000000, -0.0024893800000000 ] - [ -0.0012455900000000, -0.0013131700000000, -0.0138609500000000 ] - [ -0.0012455900000000, 0.0013131700000000, -0.0138609500000000 ] - [ 0.0119865100000000, -0.0112987700000000, 0.0060354400000000 ] - [ 0.0001452300000000, 0.0013051200000000, -0.0000939900000000 ] - [ 0.0372736700000000, -0.0358542500000000, -0.0201581900000000 ] - [ 0.0038112600000000, -0.0085118900000000, -0.0004257300000000 ] - [ -0.0159991300000000, -0.0190603800000000, 0.0095348500000000 ] - [ -0.0021934200000000, 0.0006229000000000, 0.0016262900000000 ] - [ 0.0372736700000000, 0.0358542500000000, -0.0201581900000000 ] - [ 0.0038112600000000, 0.0085118900000000, -0.0004257300000000 ] - [ 0.0119865100000000, 0.0112987700000000, 0.0060354400000000 ] - [ 0.0001452300000000, -0.0013051200000000, -0.0000939900000000 ] - [ -0.0008124700000000, -0.0098626800000000, -0.0140241500000000 ] - [ 0.0047184500000000, 0.0062664700000000, -0.0021539900000000 ] - [ -0.0028671000000000, 0.0020086200000000, 0.0071539600000000 ] - [ -0.0028671000000000, -0.0020086200000000, 0.0071539600000000 ] - [ -0.0008124700000000, 0.0098626800000000, -0.0140241500000000 ] - [ 0.0047184500000000, -0.0062664700000000, -0.0021539900000000 ] - [ -0.0159991300000000, 0.0190603800000000, 0.0095348500000000 ] - [ -0.0021934200000000, -0.0006229000000000, 0.0016262900000000 ] - [ -0.0067068100000000, -0.0029811000000000, -0.0009346000000000 ] - [ -0.0039763400000000, -0.0047222700000000, -0.0017529600000000 ] - [ -0.0067068100000000, 0.0029811000000000, -0.0009346000000000 ] - [ -0.0039763400000000, 0.0047222700000000, -0.0017529600000000 ] - [ 0.0005279100000000, 0.0000000000000000, 0.0003222500000000 ] - [ -0.0009382200000000, 0.0000000000000000, -0.0022391200000000 ] - [ -0.0103023900000000, 0.0081112200000000, 0.0067370800000000 ] - [ -0.0023818900000000, 0.0007992400000000, 0.0016655500000000 ] - [ -0.0103023900000000, -0.0081112200000000, 0.0067370800000000 ] - [ -0.0023818900000000, -0.0007992400000000, 0.0016655500000000 ] - [ 0.0004171900000000, 0.0012750300000000, -0.0078003500000000 ] - [ 0.0004171900000000, -0.0012750300000000, -0.0078003500000000 ] - [ 0.0010690500000000, 0.0015013500000000, 0.0022998400000000 ] - [ 0.0010690500000000, -0.0015013500000000, 0.0022998400000000 ] - [ 0.0001062000000000, -0.0002774300000000, 0.0023976600000000 ] - [ 0.0001062000000000, 0.0002774300000000, 0.0023976600000000 ] - [ -0.0009245800000000, 0.0000000000000000, 0.0174900000000000 ] - [ -0.0005279200000000, 0.0000000000000000, 0.0025995700000000 ] - [ 0.0088618400000000, -0.0093218500000000, 0.0064147900000000 ] - [ 0.0007879300000000, 0.0015514400000000, 0.0007188800000000 ] - [ -0.0008965500000000, 0.0007632500000000, 0.0006566600000000 ] - [ -0.0013211500000000, 0.0008408300000000, 0.0000556000000000 ] - [ 0.0016127400000000, 0.0003311400000000, -0.0001638000000000 ] - [ 0.0009388500000000, 0.0014576100000000, -0.0008465200000000 ] - [ -0.0008965500000000, -0.0007632500000000, 0.0006566600000000 ] - [ -0.0013211500000000, -0.0008408300000000, 0.0000556000000000 ] - [ 0.0088618400000000, 0.0093218500000000, 0.0064147900000000 ] - [ 0.0007879300000000, -0.0015514400000000, 0.0007188800000000 ] - [ -0.0016917600000000, -0.0001174900000000, 0.0021621500000000 ] - [ -0.0021326800000000, -0.0016195100000000, 0.0011421000000000 ] - [ 0.0001016300000000, 0.0000000000000000, 0.0004042700000000 ] - [ 0.0000055400000000, 0.0000000000000000, -0.0024938100000000 ] - [ -0.0016917600000000, 0.0001174900000000, 0.0021621500000000 ] - [ -0.0021326800000000, 0.0016195100000000, 0.0011421000000000 ] - [ 0.0016127400000000, -0.0003311400000000, -0.0001638000000000 ] - [ 0.0009388500000000, -0.0014576100000000, -0.0008465200000000 ] - [ -0.0086767200000000, -0.0031263100000000, 0.0014989900000000 ] - [ -0.0068315100000000, -0.0050656900000000, 0.0011962200000000 ] - [ -0.0086767200000000, 0.0031263100000000, 0.0014989900000000 ] - [ -0.0068315100000000, 0.0050656900000000, 0.0011962200000000 ]- atom: 17 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0216092600000000, 0.0000000000000000, -0.0368672500000000 ] - [ -0.0020195500000000, 0.0000000000000000, -0.0052733100000000 ] - [ -0.0247205000000000, -0.0037147400000000, -0.0014970300000000 ] - [ -0.0247205000000000, 0.0037147400000000, -0.0014970300000000 ] - [ 0.0054378500000000, 0.0002725500000000, 0.0036259400000000 ] - [ 0.0054378500000000, -0.0002725500000000, 0.0036259400000000 ] - [ 0.0042509200000000, 0.0000000000000000, 0.0017249400000000 ] - [ 0.0035009000000000, 0.0000000000000000, 0.0014268500000000 ] - [ 0.0208532000000000, 0.0000000000000000, 0.0016015100000000 ] - [ 0.0138352200000000, 0.0000000000000000, 0.0015023500000000 ] - [ 0.0070684300000000, 0.0000000000000000, 0.0083362800000000 ] - [ 0.0072642200000000, 0.0000000000000000, 0.0066580200000000 ] - [ 0.0023657600000000, -0.0014330000000000, 0.0134991500000000 ] - [ 0.0023657600000000, 0.0014330000000000, 0.0134991500000000 ] - [ 0.0365678900000000, -0.0462298300000000, 0.0004054300000000 ] - [ 0.0365678900000000, 0.0462298300000000, 0.0004054300000000 ] - [ -0.2397582200000000, 0.0000000000000000, 0.0107611300000000 ] - [ -0.0323301700000000, 0.0000000000000000, -0.0027864000000000 ] - [ -0.0053306400000000, 0.0000000000000000, -0.0057532800000000 ] - [ -0.0028960600000000, 0.0000000000000000, -0.0052286700000000 ] - [ 0.0477302700000000, 0.0528374000000000, -0.0037222900000000 ] - [ 0.0477302700000000, -0.0528374000000000, -0.0037222900000000 ] - [ -0.0013699000000000, -0.0016731800000000, -0.0240391800000000 ] - [ -0.0013699000000000, 0.0016731800000000, -0.0240391800000000 ] - [ -0.0059641100000000, 0.0000000000000000, -0.0094866700000000 ] - [ -0.0022123100000000, 0.0000000000000000, -0.0036499400000000 ] - [ 0.0169890100000000, 0.0000000000000000, -0.0007432200000000 ] - [ 0.0124133600000000, 0.0000000000000000, 0.0001155900000000 ] - [ 0.0092984500000000, -0.0006200900000000, 0.0033846600000000 ] - [ 0.0092984500000000, 0.0006200900000000, 0.0033846600000000 ] - [ 0.0011590000000000, 0.0001646600000000, 0.0138388900000000 ] - [ 0.0011590000000000, -0.0001646600000000, 0.0138388900000000 ] - [ -0.0022611600000000, 0.0000000000000000, 0.0041894600000000 ] - [ -0.0016251600000000, 0.0000000000000000, 0.0029678300000000 ] - [ -0.0030507600000000, 0.0022267100000000, -0.0019617300000000 ] - [ -0.0035948900000000, 0.0027507800000000, -0.0024545400000000 ] - [ -0.0035948900000000, -0.0027507800000000, -0.0024545400000000 ] - [ -0.0030507600000000, -0.0022267100000000, -0.0019617300000000 ] - [ -0.0021749200000000, 0.0001744800000000, -0.0032987400000000 ] - [ -0.0021749200000000, -0.0001744800000000, -0.0032987400000000 ] - [ -0.0018858800000000, 0.0073618600000000, 0.0142739000000000 ] - [ -0.0018858800000000, -0.0073618600000000, 0.0142739000000000 ] - [ -0.0018827300000000, 0.0030249000000000, -0.0132575600000000 ] - [ -0.0018827300000000, -0.0030249000000000, -0.0132575600000000 ] - [ -0.0015835200000000, 0.0000000000000000, -0.0070619400000000 ] - [ -0.0011336500000000, 0.0000000000000000, -0.0062084700000000 ] - [ -0.0031088600000000, 0.0018333800000000, -0.0017958200000000 ] - [ -0.0027730600000000, 0.0011643600000000, -0.0019222000000000 ] - [ -0.0082169700000000, 0.0106506500000000, 0.0022648600000000 ] - [ -0.0132940400000000, 0.0025420800000000, 0.0000940700000000 ] - [ 0.0003951000000000, 0.0009795300000000, -0.0004716400000000 ] - [ 0.0002207300000000, 0.0004949500000000, -0.0008178800000000 ] - [ -0.0132940400000000, -0.0025420800000000, 0.0000940700000000 ] - [ -0.0082169700000000, -0.0106506500000000, 0.0022648600000000 ] - [ -0.0027730600000000, -0.0011643600000000, -0.0019222000000000 ] - [ -0.0031088600000000, -0.0018333800000000, -0.0017958200000000 ] - [ 0.0099073700000000, 0.0132352600000000, 0.0002516500000000 ] - [ 0.0327551900000000, 0.0169456300000000, 0.0018934100000000 ] - [ 0.0137742300000000, 0.0000000000000000, 0.0038903600000000 ] - [ 0.0016635500000000, 0.0000000000000000, 0.0039426300000000 ] - [ 0.0327551900000000, -0.0169456300000000, 0.0018934100000000 ] - [ 0.0099073700000000, -0.0132352600000000, 0.0002516500000000 ] - [ 0.0002207300000000, -0.0004949500000000, -0.0008178800000000 ] - [ 0.0003951000000000, -0.0009795300000000, -0.0004716400000000 ] - [ 0.0279061400000000, 0.0158412000000000, 0.0078030800000000 ] - [ 0.0127309100000000, 0.0168778000000000, -0.0005832100000000 ] - [ 0.0127309100000000, -0.0168778000000000, -0.0005832100000000 ] - [ 0.0279061400000000, -0.0158412000000000, 0.0078030800000000 ] - [ -0.0043794900000000, -0.0044701100000000, -0.0164838700000000 ] - [ -0.0043794900000000, 0.0044701100000000, -0.0164838700000000 ] - [ 0.0008986600000000, -0.0010546400000000, 0.0024317200000000 ] - [ 0.0012683000000000, -0.0034098100000000, 0.0037649500000000 ] - [ 0.0012683000000000, 0.0034098100000000, 0.0037649500000000 ] - [ 0.0008986600000000, 0.0010546400000000, 0.0024317200000000 ] - [ 0.0169533300000000, 0.0000000000000000, 0.0016506800000000 ] - [ 0.0032428900000000, 0.0000000000000000, 0.0015880700000000 ] - [ -0.0026561500000000, 0.0000000000000000, -0.0034885900000000 ] - [ -0.0023496900000000, 0.0000000000000000, -0.0029751200000000 ] - [ -0.0013709800000000, 0.0000000000000000, 0.0067732000000000 ] - [ -0.0011025500000000, 0.0000000000000000, 0.0041252600000000 ] - [ -0.0028960800000000, -0.0025905000000000, 0.0207721400000000 ] - [ -0.0028960800000000, 0.0025905000000000, 0.0207721400000000 ] - [ 0.0021371000000000, 0.0005393300000000, 0.0042398200000000 ] - [ 0.0019865000000000, -0.0003591800000000, 0.0022639100000000 ] - [ -0.0113094600000000, 0.0042110800000000, -0.0009381800000000 ] - [ -0.0104568500000000, 0.0080622000000000, -0.0015818400000000 ] - [ 0.0033683800000000, 0.0021896800000000, -0.0003401700000000 ] - [ 0.0018174600000000, 0.0002110000000000, 0.0003051400000000 ] - [ -0.0104568500000000, -0.0080622000000000, -0.0015818400000000 ] - [ -0.0113094600000000, -0.0042110800000000, -0.0009381800000000 ] - [ 0.0019865000000000, 0.0003591800000000, 0.0022639100000000 ] - [ 0.0021371000000000, -0.0005393300000000, 0.0042398200000000 ] - [ -0.0058490200000000, -0.0027553300000000, -0.0007359400000000 ] - [ -0.0048880200000000, -0.0024008000000000, -0.0006322200000000 ] - [ -0.0001979800000000, -0.0000576900000000, -0.0045719500000000 ] - [ -0.0001979800000000, 0.0000576900000000, -0.0045719500000000 ] - [ -0.0048880200000000, 0.0024008000000000, -0.0006322200000000 ] - [ -0.0058490200000000, 0.0027553300000000, -0.0007359400000000 ] - [ 0.0018174600000000, -0.0002110000000000, 0.0003051400000000 ] - [ 0.0033683800000000, -0.0021896800000000, -0.0003401700000000 ] - [ -0.0046256000000000, -0.0029547100000000, 0.0000949900000000 ] - [ -0.0066883700000000, -0.0039690700000000, 0.0000326400000000 ] - [ -0.0066883700000000, 0.0039690700000000, 0.0000326400000000 ] - [ -0.0046256000000000, 0.0029547100000000, 0.0000949900000000 ]- atom: 17 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0217531600000000, 0.0000000000000000, 0.0370432400000000 ] - [ 0.0023299500000000, 0.0000000000000000, 0.0049512900000000 ] - [ 0.0257785600000000, 0.0037767100000000, 0.0016408800000000 ] - [ 0.0257785600000000, -0.0037767100000000, 0.0016408800000000 ] - [ -0.0051146200000000, -0.0002652000000000, -0.0039241700000000 ] - [ -0.0051146200000000, 0.0002652000000000, -0.0039241700000000 ] - [ -0.0031945400000000, 0.0000000000000000, -0.0015692900000000 ] - [ -0.0024547200000000, 0.0000000000000000, -0.0012856000000000 ] - [ -0.0212434000000000, 0.0000000000000000, -0.0019071400000000 ] - [ -0.0142155600000000, 0.0000000000000000, -0.0018560000000000 ] - [ -0.0063909200000000, 0.0000000000000000, -0.0080060600000000 ] - [ -0.0065925400000000, 0.0000000000000000, -0.0063359600000000 ] - [ -0.0021229600000000, 0.0013863400000000, -0.0122363800000000 ] - [ -0.0021229600000000, -0.0013863400000000, -0.0122363800000000 ] - [ -0.0357467000000000, 0.0464428300000000, -0.0004180100000000 ] - [ -0.0357467000000000, -0.0464428300000000, -0.0004180100000000 ] - [ 0.2402038300000000, 0.0000000000000000, -0.0138215800000000 ] - [ 0.0322856400000000, 0.0000000000000000, 0.0025619900000000 ] - [ 0.0052561800000000, 0.0000000000000000, 0.0060451700000000 ] - [ 0.0028739500000000, 0.0000000000000000, 0.0048802000000000 ] - [ -0.0480033000000000, -0.0526799300000000, 0.0033681100000000 ] - [ -0.0480033000000000, 0.0526799300000000, 0.0033681100000000 ] - [ 0.0019267900000000, 0.0016490300000000, 0.0243666100000000 ] - [ 0.0019267900000000, -0.0016490300000000, 0.0243666100000000 ] - [ 0.0061788000000000, 0.0000000000000000, 0.0109742000000000 ] - [ 0.0023983900000000, 0.0000000000000000, 0.0049575300000000 ] - [ -0.0160209100000000, 0.0000000000000000, 0.0007998700000000 ] - [ -0.0114912100000000, 0.0000000000000000, -0.0000951900000000 ] - [ -0.0093809000000000, 0.0006207600000000, -0.0036006100000000 ] - [ -0.0093809000000000, -0.0006207600000000, -0.0036006100000000 ] - [ -0.0011416200000000, -0.0001457000000000, -0.0141932300000000 ] - [ -0.0011416200000000, 0.0001457000000000, -0.0141932300000000 ] - [ 0.0013657800000000, 0.0000000000000000, -0.0038319400000000 ] - [ 0.0007197000000000, 0.0000000000000000, -0.0025665200000000 ] - [ 0.0029649600000000, -0.0024340800000000, 0.0016848500000000 ] - [ 0.0035114200000000, -0.0029531000000000, 0.0021808700000000 ] - [ 0.0035114200000000, 0.0029531000000000, 0.0021808700000000 ] - [ 0.0029649600000000, 0.0024340800000000, 0.0016848500000000 ] - [ 0.0020490000000000, -0.0001693800000000, 0.0028783000000000 ] - [ 0.0020490000000000, 0.0001693800000000, 0.0028783000000000 ] - [ 0.0020986100000000, -0.0074144100000000, -0.0134977200000000 ] - [ 0.0020986100000000, 0.0074144100000000, -0.0134977200000000 ] - [ 0.0013606100000000, -0.0030494400000000, 0.0134750700000000 ] - [ 0.0013606100000000, 0.0030494400000000, 0.0134750700000000 ] - [ 0.0015957700000000, 0.0000000000000000, 0.0061944000000000 ] - [ 0.0011405400000000, 0.0000000000000000, 0.0053434300000000 ] - [ 0.0033558500000000, -0.0019018900000000, 0.0015940400000000 ] - [ 0.0030168600000000, -0.0012330000000000, 0.0017233000000000 ] - [ 0.0081393200000000, -0.0104554800000000, -0.0025286900000000 ] - [ 0.0132178700000000, -0.0023065400000000, -0.0003516300000000 ] - [ -0.0008064700000000, -0.0013522900000000, 0.0006169200000000 ] - [ -0.0007100500000000, -0.0009400200000000, 0.0009289500000000 ] - [ 0.0132178700000000, 0.0023065400000000, -0.0003516300000000 ] - [ 0.0081393200000000, 0.0104554800000000, -0.0025286900000000 ] - [ 0.0030168600000000, 0.0012330000000000, 0.0017233000000000 ] - [ 0.0033558500000000, 0.0019018900000000, 0.0015940400000000 ] - [ -0.0103573000000000, -0.0137048700000000, -0.0002841300000000 ] - [ -0.0350116100000000, -0.0197312600000000, -0.0013808800000000 ] - [ -0.0132945200000000, 0.0000000000000000, -0.0033607900000000 ] - [ -0.0012466600000000, 0.0000000000000000, -0.0040908000000000 ] - [ -0.0350116100000000, 0.0197312600000000, -0.0013808800000000 ] - [ -0.0103573000000000, 0.0137048700000000, -0.0002841300000000 ] - [ -0.0007100500000000, 0.0009400200000000, 0.0009289500000000 ] - [ -0.0008064700000000, 0.0013522900000000, 0.0006169200000000 ] - [ -0.0263093700000000, -0.0136482100000000, -0.0069321400000000 ] - [ -0.0128414500000000, -0.0171557400000000, 0.0009587100000000 ] - [ -0.0128414500000000, 0.0171557400000000, 0.0009587100000000 ] - [ -0.0263093700000000, 0.0136482100000000, -0.0069321400000000 ] - [ 0.0034501100000000, 0.0044437500000000, 0.0168921400000000 ] - [ 0.0034501100000000, -0.0044437500000000, 0.0168921400000000 ] - [ -0.0009650900000000, 0.0008437300000000, -0.0027106800000000 ] - [ -0.0012386400000000, 0.0031263700000000, -0.0040865400000000 ] - [ -0.0012386400000000, -0.0031263700000000, -0.0040865400000000 ] - [ -0.0009650900000000, -0.0008437300000000, -0.0027106800000000 ] - [ -0.0170606000000000, 0.0000000000000000, -0.0029213500000000 ] - [ -0.0033585400000000, 0.0000000000000000, -0.0019781000000000 ] - [ 0.0028260000000000, 0.0000000000000000, 0.0042856800000000 ] - [ 0.0025286900000000, 0.0000000000000000, 0.0037863800000000 ] - [ 0.0008470900000000, 0.0000000000000000, -0.0066635100000000 ] - [ 0.0005655900000000, 0.0000000000000000, -0.0039532700000000 ] - [ 0.0028914400000000, 0.0025656600000000, -0.0216405700000000 ] - [ 0.0028914400000000, -0.0025656600000000, -0.0216405700000000 ] - [ -0.0018299100000000, -0.0006727300000000, -0.0044799100000000 ] - [ -0.0017096800000000, 0.0002762600000000, -0.0024756800000000 ] - [ 0.0112187000000000, -0.0040451200000000, 0.0006739800000000 ] - [ 0.0103562200000000, -0.0078632100000000, 0.0013187900000000 ] - [ -0.0038025000000000, -0.0025980700000000, 0.0004819000000000 ] - [ -0.0022334700000000, -0.0005849300000000, -0.0001658800000000 ] - [ 0.0103562200000000, 0.0078632100000000, 0.0013187900000000 ] - [ 0.0112187000000000, 0.0040451200000000, 0.0006739800000000 ] - [ -0.0017096800000000, -0.0002762600000000, -0.0024756800000000 ] - [ -0.0018299100000000, 0.0006727300000000, -0.0044799100000000 ] - [ 0.0054074900000000, 0.0023083900000000, 0.0006976500000000 ] - [ 0.0044519700000000, 0.0019584000000000, 0.0005971600000000 ] - [ 0.0006140400000000, 0.0000572500000000, 0.0044411100000000 ] - [ 0.0006140400000000, -0.0000572500000000, 0.0044411100000000 ] - [ 0.0044519700000000, -0.0019584000000000, 0.0005971600000000 ] - [ 0.0054074900000000, -0.0023083900000000, 0.0006976500000000 ] - [ -0.0022334700000000, 0.0005849300000000, -0.0001658800000000 ] - [ -0.0038025000000000, 0.0025980700000000, 0.0004819000000000 ] - [ 0.0045312400000000, 0.0026899200000000, 0.0002709300000000 ] - [ 0.0065853000000000, 0.0036975900000000, 0.0003264500000000 ] - [ 0.0065853000000000, -0.0036975900000000, 0.0003264500000000 ] - [ 0.0045312400000000, -0.0026899200000000, 0.0002709300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001155700000000, -0.0265251000000000, -0.0001238200000000 ] - [ 0.0001477200000000, 0.0100468800000000, -0.0001613200000000 ] - [ -0.0000484100000000, 0.0235380500000000, 0.0324561600000000 ] - [ 0.0010482800000000, 0.0231767200000000, -0.0319447100000000 ] - [ 0.0036412000000000, 0.0000707700000000, 0.0011771700000000 ] - [ -0.0032937300000000, 0.0000637000000000, -0.0014705500000000 ] - [ 0.0005267000000000, -0.0021529500000000, 0.0000752200000000 ] - [ 0.0005182000000000, 0.0018779800000000, 0.0000728500000000 ] - [ -0.0001655100000000, -0.0152428200000000, -0.0001483000000000 ] - [ -0.0001863800000000, 0.0126769700000000, -0.0001744100000000 ] - [ 0.0003466600000000, -0.0065489000000000, 0.0001692100000000 ] - [ 0.0003430300000000, 0.0079473800000000, 0.0001579800000000 ] - [ -0.0000774200000000, 0.0004122700000000, -0.0100543500000000 ] - [ 0.0003059100000000, 0.0004744800000000, 0.0113189600000000 ] - [ -0.0441622000000000, 0.0416853100000000, -0.0023920200000000 ] - [ 0.0449699600000000, 0.0416293500000000, 0.0023799800000000 ] - [ -0.0005142000000000, -0.2657378400000000, -0.0017403200000000 ] - [ -0.0000448800000000, 0.0412925400000000, -0.0001195000000000 ] - [ -0.0000365100000000, -0.0110260500000000, 0.0001424500000000 ] - [ -0.0000132000000000, 0.0096642000000000, -0.0001991000000000 ] - [ 0.0631427500000000, 0.0557385600000000, -0.0003002500000000 ] - [ -0.0632081000000000, 0.0554927100000000, -0.0000809700000000 ] - [ -0.0013363300000000, -0.0003340500000000, -0.0055046800000000 ] - [ 0.0018988300000000, -0.0002842500000000, 0.0058109200000000 ] - [ 0.0000921000000000, -0.0135478100000000, 0.0007421100000000 ] - [ 0.0000857500000000, 0.0125894600000000, 0.0006603700000000 ] - [ 0.0004899800000000, -0.0194962000000000, 0.0000323400000000 ] - [ 0.0004684400000000, 0.0155726900000000, 0.0000184200000000 ] - [ 0.0005879700000000, 0.0007043900000000, 0.0010449900000000 ] - [ -0.0006634400000000, 0.0007112800000000, -0.0012355000000000 ] - [ 0.0018665100000000, 0.0002977700000000, 0.0136708600000000 ] - [ -0.0018257000000000, 0.0002885100000000, -0.0140090100000000 ] - [ -0.0004488800000000, 0.0020844000000000, 0.0001754100000000 ] - [ -0.0004520800000000, -0.0019691300000000, 0.0002086000000000 ] - [ -0.0027329100000000, 0.0027926400000000, -0.0012910000000000 ] - [ 0.0036625700000000, -0.0038789800000000, 0.0017861700000000 ] - [ -0.0037550900000000, -0.0036897300000000, -0.0020698200000000 ] - [ 0.0026326800000000, 0.0029768500000000, 0.0010050900000000 ] - [ -0.0000704000000000, -0.0000763000000000, 0.0011181500000000 ] - [ -0.0000636800000000, -0.0000833300000000, -0.0015218800000000 ] - [ 0.0057397600000000, -0.0058656100000000, -0.0090588900000000 ] - [ -0.0054935500000000, -0.0058516900000000, 0.0098406400000000 ] - [ 0.0019990000000000, -0.0024902300000000, 0.0125996100000000 ] - [ -0.0025135600000000, -0.0024794300000000, -0.0124102900000000 ] - [ 0.0000041900000000, 0.0012302200000000, -0.0004338100000000 ] - [ 0.0000034000000000, -0.0013182100000000, -0.0004335300000000 ] - [ 0.0015773800000000, -0.0024317600000000, 0.0004367500000000 ] - [ -0.0010208300000000, 0.0019712600000000, -0.0005027600000000 ] - [ 0.0098512500000000, -0.0141661500000000, -0.0027231200000000 ] - [ -0.0151375500000000, 0.0093036000000000, 0.0009116000000000 ] - [ -0.0019442500000000, -0.0030048400000000, 0.0009493400000000 ] - [ 0.0013968400000000, 0.0027877000000000, -0.0011203700000000 ] - [ 0.0150281300000000, 0.0090794700000000, -0.0011699300000000 ] - [ -0.0099546900000000, -0.0143978000000000, 0.0024817000000000 ] - [ 0.0012725400000000, 0.0020508300000000, 0.0002864900000000 ] - [ -0.0013266100000000, -0.0023600200000000, -0.0006516500000000 ] - [ -0.0029014100000000, -0.0168444600000000, 0.0005139000000000 ] - [ 0.0154390600000000, 0.0291435600000000, 0.0016861000000000 ] - [ 0.0002359200000000, 0.0140712900000000, 0.0002430900000000 ] - [ 0.0002092200000000, -0.0030040100000000, -0.0000597600000000 ] - [ -0.0181913000000000, 0.0315895600000000, -0.0011470700000000 ] - [ 0.0024805900000000, -0.0163653600000000, -0.0005313200000000 ] - [ -0.0018955300000000, 0.0032396900000000, 0.0012233500000000 ] - [ 0.0015293500000000, -0.0026334600000000, -0.0008090300000000 ] - [ 0.0165537200000000, 0.0256512900000000, 0.0113824100000000 ] - [ -0.0101979500000000, -0.0244066100000000, -0.0002624900000000 ] - [ 0.0100683400000000, -0.0241779500000000, 0.0006489600000000 ] - [ -0.0139787100000000, 0.0235947100000000, -0.0103838000000000 ] - [ -0.0066824300000000, -0.0043525900000000, -0.0172198200000000 ] - [ 0.0057234200000000, -0.0043296700000000, 0.0176212900000000 ] - [ 0.0041031700000000, -0.0052729600000000, -0.0003389900000000 ] - [ -0.0036206700000000, 0.0056214700000000, -0.0012166700000000 ] - [ 0.0036534300000000, 0.0059104100000000, 0.0008965800000000 ] - [ -0.0041652300000000, -0.0050686000000000, 0.0000600100000000 ] - [ -0.0000476000000000, 0.0206119600000000, -0.0006480000000000 ] - [ -0.0000590600000000, -0.0065792900000000, -0.0001998200000000 ] - [ 0.0000882300000000, 0.0021408000000000, 0.0003883900000000 ] - [ 0.0000912700000000, -0.0023095800000000, 0.0003979800000000 ] - [ -0.0002594500000000, 0.0021231400000000, 0.0000462000000000 ] - [ -0.0002677000000000, -0.0015669000000000, 0.0000813900000000 ] - [ -0.0037135600000000, -0.0027560800000000, 0.0142548000000000 ] - [ 0.0036984200000000, -0.0027340100000000, -0.0151075900000000 ] - [ -0.0023871600000000, 0.0055663900000000, -0.0007270000000000 ] - [ 0.0021122500000000, -0.0056539500000000, 0.0006517800000000 ] - [ -0.0159195500000000, 0.0104332700000000, -0.0002666900000000 ] - [ 0.0141821900000000, -0.0125913300000000, 0.0010185800000000 ] - [ 0.0020630100000000, 0.0047857300000000, -0.0028180800000000 ] - [ -0.0015968800000000, -0.0050806000000000, 0.0029097100000000 ] - [ -0.0142672100000000, -0.0128132000000000, -0.0012729600000000 ] - [ 0.0157966700000000, 0.0102570500000000, 0.0000049100000000 ] - [ -0.0018224000000000, -0.0055662000000000, -0.0008803000000000 ] - [ 0.0027016700000000, 0.0056768700000000, 0.0004834500000000 ] - [ -0.0007020900000000, 0.0010701100000000, 0.0000534600000000 ] - [ -0.0005237700000000, -0.0019785100000000, -0.0002581600000000 ] - [ 0.0002644900000000, -0.0001582300000000, -0.0038298900000000 ] - [ 0.0001492300000000, -0.0001585700000000, 0.0036826800000000 ] - [ 0.0000832100000000, -0.0015308200000000, 0.0002337500000000 ] - [ 0.0002541100000000, 0.0015161200000000, -0.0000792700000000 ] - [ 0.0011690900000000, -0.0047111300000000, -0.0027877600000000 ] - [ -0.0025110100000000, 0.0051805100000000, 0.0029386400000000 ] - [ -0.0010196800000000, -0.0021802100000000, 0.0003622600000000 ] - [ 0.0006467000000000, 0.0015101100000000, 0.0000075900000000 ] - [ -0.0007640500000000, 0.0017802900000000, 0.0003584600000000 ] - [ 0.0009244300000000, -0.0019198400000000, 0.0000110600000000 ]- atom: 17 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0434813800000000, 0.0000000000000000, 0.0292729400000000 ] - [ -0.0004167000000000, 0.0000000000000000, 0.0028654000000000 ] - [ 0.0133554200000000, 0.0234952600000000, 0.0044606700000000 ] - [ 0.0133554200000000, -0.0234952600000000, 0.0044606700000000 ] - [ -0.0003550300000000, 0.0000845000000000, -0.0014272700000000 ] - [ -0.0003550300000000, -0.0000845000000000, -0.0014272700000000 ] - [ 0.0036897800000000, 0.0000000000000000, 0.0034004100000000 ] - [ -0.0003576500000000, 0.0000000000000000, 0.0006981300000000 ] - [ -0.0135121300000000, 0.0000000000000000, 0.0103435300000000 ] - [ -0.0079220600000000, 0.0000000000000000, -0.0000506800000000 ] - [ 0.0030234400000000, 0.0000000000000000, -0.0014393000000000 ] - [ 0.0015200100000000, 0.0000000000000000, -0.0029263600000000 ] - [ 0.0092376600000000, -0.0102941700000000, -0.0072122700000000 ] - [ 0.0092376600000000, 0.0102941700000000, -0.0072122700000000 ] - [ -0.0257811500000000, 0.0278769700000000, -0.0063965900000000 ] - [ -0.0257811500000000, -0.0278769700000000, -0.0063965900000000 ] - [ 0.1485321200000000, 0.0000000000000000, -0.2473436500000000 ] - [ 0.0163795300000000, 0.0000000000000000, -0.0024754100000000 ] - [ -0.0049625200000000, 0.0000000000000000, 0.1081840400000000 ] - [ -0.0022653800000000, 0.0000000000000000, 0.0017129800000000 ] - [ -0.0229958000000000, -0.0247085000000000, -0.0043634700000000 ] - [ -0.0229958000000000, 0.0247085000000000, -0.0043634700000000 ] - [ -0.0183436600000000, -0.0036539400000000, 0.0139861400000000 ] - [ -0.0183436600000000, 0.0036539400000000, 0.0139861400000000 ] - [ 0.0020399400000000, 0.0000000000000000, 0.0577848900000000 ] - [ -0.0010040200000000, 0.0000000000000000, 0.0047759800000000 ] - [ -0.0068708400000000, 0.0000000000000000, 0.0093448700000000 ] - [ -0.0045153900000000, 0.0000000000000000, 0.0015773800000000 ] - [ -0.0025473600000000, -0.0005725800000000, 0.0026602500000000 ] - [ -0.0025473600000000, 0.0005725800000000, 0.0026602500000000 ] - [ 0.0083884700000000, 0.0054757000000000, -0.0050357900000000 ] - [ 0.0083884700000000, -0.0054757000000000, -0.0050357900000000 ] - [ 0.0007742200000000, 0.0000000000000000, -0.0235138500000000 ] - [ 0.0005901300000000, 0.0000000000000000, -0.0021051500000000 ] - [ -0.0015875100000000, 0.0002639600000000, 0.0004543900000000 ] - [ -0.0010590100000000, 0.0005909400000000, 0.0009014300000000 ] - [ -0.0010590100000000, -0.0005909400000000, 0.0009014300000000 ] - [ -0.0015875100000000, -0.0002639600000000, 0.0004543900000000 ] - [ -0.0008191200000000, 0.0009569000000000, -0.0014448400000000 ] - [ -0.0008191200000000, -0.0009569000000000, -0.0014448400000000 ] - [ 0.0048212600000000, -0.0048818000000000, -0.0069628600000000 ] - [ 0.0048212600000000, 0.0048818000000000, -0.0069628600000000 ] - [ -0.0001053900000000, -0.0010961100000000, 0.0133838900000000 ] - [ -0.0001053900000000, 0.0010961100000000, 0.0133838900000000 ] - [ 0.0006431500000000, 0.0000000000000000, -0.0004854600000000 ] - [ 0.0003490200000000, 0.0000000000000000, 0.0023416000000000 ] - [ -0.0009770800000000, 0.0009290400000000, 0.0005369800000000 ] - [ -0.0015362500000000, 0.0002278000000000, 0.0004732900000000 ] - [ 0.0051361000000000, -0.0060774600000000, -0.0009470200000000 ] - [ 0.0112801900000000, -0.0027896900000000, -0.0004381700000000 ] - [ 0.0007558900000000, 0.0015239400000000, 0.0000248200000000 ] - [ -0.0133377000000000, -0.0118566800000000, -0.0052588400000000 ] - [ 0.0112801900000000, 0.0027896900000000, -0.0004381700000000 ] - [ 0.0051361000000000, 0.0060774600000000, -0.0009470200000000 ] - [ -0.0015362500000000, -0.0002278000000000, 0.0004732900000000 ] - [ -0.0009770800000000, -0.0009290400000000, 0.0005369800000000 ] - [ -0.0043612100000000, -0.0080456500000000, 0.0008775100000000 ] - [ -0.0335549800000000, -0.0252656500000000, 0.0137495700000000 ] - [ -0.0061113200000000, 0.0000000000000000, 0.0905120000000000 ] - [ -0.0003173500000000, 0.0000000000000000, 0.0005582400000000 ] - [ -0.0335549800000000, 0.0252656500000000, 0.0137495700000000 ] - [ -0.0043612100000000, 0.0080456500000000, 0.0008775100000000 ] - [ -0.0133377000000000, 0.0118566800000000, -0.0052588400000000 ] - [ 0.0007558900000000, -0.0015239400000000, 0.0000248200000000 ] - [ -0.0025787900000000, 0.0067278200000000, 0.0120534200000000 ] - [ -0.0066952500000000, -0.0080649000000000, 0.0016147300000000 ] - [ -0.0066952500000000, 0.0080649000000000, 0.0016147300000000 ] - [ -0.0025787900000000, -0.0067278200000000, 0.0120534200000000 ] - [ -0.0000739300000000, 0.0012523500000000, 0.0100638200000000 ] - [ -0.0000739300000000, -0.0012523500000000, 0.0100638200000000 ] - [ 0.0019960400000000, -0.0003563900000000, -0.0016217400000000 ] - [ 0.0173850300000000, -0.0117673300000000, -0.0098396100000000 ] - [ 0.0173850300000000, 0.0117673300000000, -0.0098396100000000 ] - [ 0.0019960400000000, 0.0003563900000000, -0.0016217400000000 ] - [ -0.0021137600000000, 0.0000000000000000, -0.0097216400000000 ] - [ -0.0012262000000000, 0.0000000000000000, -0.0010464600000000 ] - [ -0.0001388700000000, 0.0000000000000000, -0.0004438900000000 ] - [ 0.0006304400000000, 0.0000000000000000, 0.0016269400000000 ] - [ 0.0030900800000000, 0.0000000000000000, -0.0197268600000000 ] - [ 0.0003543300000000, 0.0000000000000000, -0.0037218200000000 ] - [ 0.0026319400000000, 0.0017465900000000, -0.0085141900000000 ] - [ 0.0026319400000000, -0.0017465900000000, -0.0085141900000000 ] - [ 0.0110919400000000, -0.0103533400000000, -0.0098697000000000 ] - [ 0.0020798800000000, -0.0007284600000000, -0.0024187300000000 ] - [ 0.0058633500000000, -0.0028016000000000, 0.0000046200000000 ] - [ 0.0048989500000000, -0.0037657600000000, 0.0012272800000000 ] - [ -0.0098467500000000, -0.0100108200000000, -0.0041519200000000 ] - [ -0.0013330800000000, 0.0011848400000000, -0.0008389800000000 ] - [ 0.0048989500000000, 0.0037657600000000, 0.0012272800000000 ] - [ 0.0058633500000000, 0.0028016000000000, 0.0000046200000000 ] - [ 0.0020798800000000, 0.0007284600000000, -0.0024187300000000 ] - [ 0.0110919400000000, 0.0103533400000000, -0.0098697000000000 ] - [ 0.0009613700000000, 0.0003228800000000, -0.0009236500000000 ] - [ 0.0012634600000000, 0.0003740300000000, -0.0003593200000000 ] - [ -0.0003288700000000, -0.0003791100000000, -0.0016625800000000 ] - [ -0.0003288700000000, 0.0003791100000000, -0.0016625800000000 ] - [ 0.0012634600000000, -0.0003740300000000, -0.0003593200000000 ] - [ 0.0009613700000000, -0.0003228800000000, -0.0009236500000000 ] - [ -0.0013330800000000, -0.0011848400000000, -0.0008389800000000 ] - [ -0.0098467500000000, 0.0100108200000000, -0.0041519200000000 ] - [ 0.0021965300000000, 0.0012309400000000, -0.0002995700000000 ] - [ 0.0016741400000000, 0.0000358400000000, -0.0014851100000000 ] - [ 0.0016741400000000, -0.0000358400000000, -0.0014851100000000 ] - [ 0.0021965300000000, -0.0012309400000000, -0.0002995700000000 ]- atom: 17 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0429676600000000, 0.0000000000000000, -0.0291649800000000 ] - [ 0.0007180000000000, 0.0000000000000000, -0.0032106200000000 ] - [ -0.0121566400000000, -0.0231993900000000, -0.0043708000000000 ] - [ -0.0121566400000000, 0.0231993900000000, -0.0043708000000000 ] - [ 0.0006466700000000, -0.0000744100000000, 0.0011063400000000 ] - [ 0.0006466700000000, 0.0000744100000000, 0.0011063400000000 ] - [ -0.0026430000000000, 0.0000000000000000, -0.0032586300000000 ] - [ 0.0013986500000000, 0.0000000000000000, -0.0005794300000000 ] - [ 0.0130803100000000, 0.0000000000000000, -0.0106442100000000 ] - [ 0.0075321800000000, 0.0000000000000000, -0.0003261800000000 ] - [ -0.0023576400000000, 0.0000000000000000, 0.0017631600000000 ] - [ -0.0008608600000000, 0.0000000000000000, 0.0032405900000000 ] - [ -0.0090272400000000, 0.0102620200000000, 0.0084523700000000 ] - [ -0.0090272400000000, -0.0102620200000000, 0.0084523700000000 ] - [ 0.0265799100000000, -0.0277119000000000, 0.0062711100000000 ] - [ 0.0265799100000000, 0.0277119000000000, 0.0062711100000000 ] - [ -0.1455444200000000, 0.0000000000000000, 0.2543698100000000 ] - [ -0.0163585900000000, 0.0000000000000000, 0.0022434500000000 ] - [ 0.0047898500000000, 0.0000000000000000, -0.1084690800000000 ] - [ 0.0022077400000000, 0.0000000000000000, -0.0020575700000000 ] - [ 0.0223613200000000, 0.0244889500000000, 0.0040317500000000 ] - [ 0.0223613200000000, -0.0244889500000000, 0.0040317500000000 ] - [ 0.0188671000000000, 0.0037157200000000, -0.0135318200000000 ] - [ 0.0188671000000000, -0.0037157200000000, -0.0135318200000000 ] - [ -0.0017215400000000, 0.0000000000000000, -0.0557730500000000 ] - [ 0.0012108500000000, 0.0000000000000000, -0.0034282000000000 ] - [ 0.0077421900000000, 0.0000000000000000, -0.0092516700000000 ] - [ 0.0053715600000000, 0.0000000000000000, -0.0015515200000000 ] - [ 0.0024425400000000, 0.0005767500000000, -0.0028751200000000 ] - [ 0.0024425400000000, -0.0005767500000000, -0.0028751200000000 ] - [ -0.0083047600000000, -0.0054167300000000, 0.0046303500000000 ] - [ -0.0083047600000000, 0.0054167300000000, 0.0046303500000000 ] - [ -0.0016551300000000, 0.0000000000000000, 0.0237806300000000 ] - [ -0.0014889900000000, 0.0000000000000000, 0.0025196700000000 ] - [ 0.0014942000000000, -0.0004675300000000, -0.0007172300000000 ] - [ 0.0009681000000000, -0.0007870600000000, -0.0011616400000000 ] - [ 0.0009681000000000, 0.0007870600000000, -0.0011616400000000 ] - [ 0.0014942000000000, 0.0004675300000000, -0.0007172300000000 ] - [ 0.0007002700000000, -0.0009545100000000, 0.0010438900000000 ] - [ 0.0007002700000000, 0.0009545100000000, 0.0010438900000000 ] - [ -0.0045571400000000, 0.0047615100000000, 0.0076911900000000 ] - [ -0.0045571400000000, -0.0047615100000000, 0.0076911900000000 ] - [ -0.0004147300000000, 0.0010731800000000, -0.0131295100000000 ] - [ -0.0004147300000000, -0.0010731800000000, -0.0131295100000000 ] - [ -0.0006319400000000, 0.0000000000000000, -0.0003758800000000 ] - [ -0.0003405800000000, 0.0000000000000000, -0.0031900000000000 ] - [ 0.0012357900000000, -0.0010067100000000, -0.0007321100000000 ] - [ 0.0017953000000000, -0.0003071700000000, -0.0006675700000000 ] - [ -0.0052282600000000, 0.0062983200000000, 0.0006832500000000 ] - [ -0.0113321200000000, 0.0030147000000000, 0.0001947000000000 ] - [ -0.0011538200000000, -0.0018946000000000, 0.0001285900000000 ] - [ 0.0128611000000000, 0.0114062900000000, 0.0054392500000000 ] - [ -0.0113321200000000, -0.0030147000000000, 0.0001947000000000 ] - [ -0.0052282600000000, -0.0062983200000000, 0.0006832500000000 ] - [ 0.0017953000000000, 0.0003071700000000, -0.0006675700000000 ] - [ 0.0012357900000000, 0.0010067100000000, -0.0007321100000000 ] - [ 0.0039066500000000, 0.0075759100000000, -0.0008903800000000 ] - [ 0.0321594900000000, 0.0236079200000000, -0.0139997100000000 ] - [ 0.0059537700000000, 0.0000000000000000, -0.0991286400000000 ] - [ 0.0007350500000000, 0.0000000000000000, -0.0007182800000000 ] - [ 0.0321594900000000, -0.0236079200000000, -0.0139997100000000 ] - [ 0.0039066500000000, -0.0075759100000000, -0.0008903800000000 ] - [ 0.0128611000000000, -0.0114062900000000, 0.0054392500000000 ] - [ -0.0011538200000000, 0.0018946000000000, 0.0001285900000000 ] - [ 0.0026586200000000, -0.0067050700000000, -0.0118819000000000 ] - [ 0.0065450900000000, 0.0077257000000000, -0.0012286000000000 ] - [ 0.0065450900000000, -0.0077257000000000, -0.0012286000000000 ] - [ 0.0026586200000000, 0.0067050700000000, -0.0118819000000000 ] - [ -0.0008429500000000, -0.0012523900000000, -0.0095786200000000 ] - [ -0.0008429500000000, 0.0012523900000000, -0.0095786200000000 ] - [ -0.0020406400000000, 0.0001219500000000, 0.0013351600000000 ] - [ -0.0172996200000000, 0.0114557200000000, 0.0095753700000000 ] - [ -0.0172996200000000, -0.0114557200000000, 0.0095753700000000 ] - [ -0.0020406400000000, -0.0001219500000000, 0.0013351600000000 ] - [ 0.0019018500000000, 0.0000000000000000, 0.0109810600000000 ] - [ 0.0010966800000000, 0.0000000000000000, 0.0006529300000000 ] - [ 0.0003263200000000, 0.0000000000000000, 0.0012532700000000 ] - [ -0.0004387600000000, 0.0000000000000000, -0.0008081100000000 ] - [ -0.0036364300000000, 0.0000000000000000, 0.0197930900000000 ] - [ -0.0008871700000000, 0.0000000000000000, 0.0038619000000000 ] - [ -0.0026140700000000, -0.0017621900000000, 0.0075073300000000 ] - [ -0.0026140700000000, 0.0017621900000000, 0.0075073300000000 ] - [ -0.0107393000000000, 0.0101623000000000, 0.0095281400000000 ] - [ -0.0018160300000000, 0.0006591800000000, 0.0021986800000000 ] - [ -0.0058954700000000, 0.0029690900000000, -0.0002757600000000 ] - [ -0.0049171800000000, 0.0039166500000000, -0.0014846600000000 ] - [ 0.0093399400000000, 0.0095378500000000, 0.0042297100000000 ] - [ 0.0009065300000000, -0.0015545100000000, 0.0009806700000000 ] - [ -0.0049171800000000, -0.0039166500000000, -0.0014846600000000 ] - [ -0.0058954700000000, -0.0029690900000000, -0.0002757600000000 ] - [ -0.0018160300000000, -0.0006591800000000, 0.0021986800000000 ] - [ -0.0107393000000000, -0.0101623000000000, 0.0095281400000000 ] - [ -0.0013819300000000, -0.0007658100000000, 0.0008852800000000 ] - [ -0.0016779300000000, -0.0008085900000000, 0.0003263300000000 ] - [ 0.0007398700000000, 0.0003742000000000, 0.0015192400000000 ] - [ 0.0007398700000000, -0.0003742000000000, 0.0015192400000000 ] - [ -0.0016779300000000, 0.0008085900000000, 0.0003263300000000 ] - [ -0.0013819300000000, 0.0007658100000000, 0.0008852800000000 ] - [ 0.0009065300000000, 0.0015545100000000, 0.0009806700000000 ] - [ 0.0093399400000000, -0.0095378500000000, 0.0042297100000000 ] - [ -0.0022816700000000, -0.0014924400000000, 0.0006638400000000 ] - [ -0.0017607800000000, -0.0002973900000000, 0.0018411200000000 ] - [ -0.0017607800000000, 0.0002973900000000, 0.0018411200000000 ] - [ -0.0022816700000000, 0.0014924400000000, 0.0006638400000000 ]- atom: 19 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0259706100000000, 0.0000000000000000, -0.0417579200000000 ] - [ -0.0028580500000000, 0.0000000000000000, -0.0074471900000000 ] - [ 0.0044710800000000, 0.0011308600000000, -0.0037140800000000 ] - [ 0.0044710800000000, -0.0011308600000000, -0.0037140800000000 ] - [ 0.0072857400000000, -0.0008041200000000, 0.0043385300000000 ] - [ 0.0072857400000000, 0.0008041200000000, 0.0043385300000000 ] - [ 0.0231674300000000, 0.0000000000000000, 0.0309260700000000 ] - [ 0.0008254500000000, 0.0000000000000000, 0.0054105000000000 ] - [ -0.0107808600000000, 0.0000000000000000, -0.0040485000000000 ] - [ -0.0048555800000000, 0.0000000000000000, -0.0051833500000000 ] - [ 0.0207673600000000, 0.0000000000000000, -0.0011411200000000 ] - [ 0.0141606900000000, 0.0000000000000000, 0.0006924700000000 ] - [ 0.0438157700000000, -0.0630698600000000, -0.0098225100000000 ] - [ 0.0438157700000000, 0.0630698600000000, -0.0098225100000000 ] - [ -0.0042861300000000, 0.0004469700000000, -0.0298122700000000 ] - [ -0.0042861300000000, -0.0004469700000000, -0.0298122700000000 ] - [ -0.0053529900000000, 0.0000000000000000, -0.0104572000000000 ] - [ -0.0029232700000000, 0.0000000000000000, -0.0048619200000000 ] - [ -0.2804505400000000, 0.0000000000000000, 0.0057787100000000 ] - [ -0.0448122000000000, 0.0000000000000000, -0.0045726600000000 ] - [ 0.0046597800000000, 0.0005375000000000, 0.0184357600000000 ] - [ 0.0046597800000000, -0.0005375000000000, 0.0184357600000000 ] - [ 0.0482444900000000, 0.0627421600000000, 0.0057597400000000 ] - [ 0.0482444900000000, -0.0627421600000000, 0.0057597400000000 ] - [ 0.0197853200000000, 0.0000000000000000, 0.0053879100000000 ] - [ 0.0137681800000000, 0.0000000000000000, 0.0036115600000000 ] - [ 0.0103253600000000, 0.0000000000000000, 0.0117658300000000 ] - [ 0.0098027800000000, 0.0000000000000000, 0.0087415700000000 ] - [ 0.0011021200000000, -0.0018010600000000, 0.0108742000000000 ] - [ 0.0011021200000000, 0.0018010600000000, 0.0108742000000000 ] - [ 0.0153367700000000, 0.0000155600000000, 0.0059860700000000 ] - [ 0.0153367700000000, -0.0000155600000000, 0.0059860700000000 ] - [ 0.0185336500000000, 0.0000000000000000, 0.0132629400000000 ] - [ 0.0039693200000000, 0.0000000000000000, 0.0039448000000000 ] - [ -0.0083061600000000, 0.0047376700000000, -0.0009946100000000 ] - [ -0.0061606000000000, 0.0035656300000000, -0.0010234100000000 ] - [ -0.0061606000000000, -0.0035656300000000, -0.0010234100000000 ] - [ -0.0083061600000000, -0.0047376700000000, -0.0009946100000000 ] - [ -0.0059365000000000, 0.0045612700000000, -0.0116211600000000 ] - [ -0.0059365000000000, -0.0045612700000000, -0.0116211600000000 ] - [ -0.0028254400000000, -0.0052386800000000, 0.0159012600000000 ] - [ -0.0028254400000000, 0.0052386800000000, 0.0159012600000000 ] - [ -0.0038620700000000, 0.0028352700000000, 0.0264961600000000 ] - [ -0.0038620700000000, -0.0028352700000000, 0.0264961600000000 ] - [ -0.0003402100000000, 0.0000000000000000, 0.0049406100000000 ] - [ -0.0005474900000000, 0.0000000000000000, 0.0033670500000000 ] - [ -0.0103323700000000, 0.0088404600000000, -0.0020645400000000 ] - [ -0.0138628200000000, 0.0034852800000000, -0.0009936800000000 ] - [ 0.0021665600000000, -0.0000608100000000, 0.0028801800000000 ] - [ 0.0042862200000000, -0.0005069800000000, 0.0040894000000000 ] - [ 0.0146237000000000, 0.0168912000000000, -0.0005630600000000 ] - [ 0.0129979300000000, -0.0021280900000000, 0.0060630400000000 ] - [ 0.0042862200000000, 0.0005069800000000, 0.0040894000000000 ] - [ 0.0021665600000000, 0.0000608100000000, 0.0028801800000000 ] - [ -0.0138628200000000, -0.0034852800000000, -0.0009936800000000 ] - [ -0.0103323700000000, -0.0088404600000000, -0.0020645400000000 ] - [ 0.0012159100000000, 0.0001560200000000, 0.0037162400000000 ] - [ 0.0010524600000000, 0.0020306200000000, 0.0052070200000000 ] - [ 0.0090718700000000, 0.0000000000000000, -0.0023373400000000 ] - [ 0.0026825000000000, 0.0000000000000000, 0.0038387600000000 ] - [ 0.0010524600000000, -0.0020306200000000, 0.0052070200000000 ] - [ 0.0012159100000000, -0.0001560200000000, 0.0037162400000000 ] - [ 0.0129979300000000, 0.0021280900000000, 0.0060630400000000 ] - [ 0.0146237000000000, -0.0168912000000000, -0.0005630600000000 ] - [ 0.0010068300000000, 0.0009674000000000, -0.0002999500000000 ] - [ 0.0002191100000000, 0.0006395000000000, -0.0000663000000000 ] - [ 0.0002191100000000, -0.0006395000000000, -0.0000663000000000 ] - [ 0.0010068300000000, -0.0009674000000000, -0.0002999500000000 ] - [ -0.0031360000000000, -0.0000151500000000, -0.0054958600000000 ] - [ -0.0031360000000000, 0.0000151500000000, -0.0054958600000000 ] - [ 0.0136468900000000, -0.0169979900000000, 0.0013941400000000 ] - [ 0.0369152800000000, -0.0274983200000000, -0.0089808800000000 ] - [ 0.0369152800000000, 0.0274983200000000, -0.0089808800000000 ] - [ 0.0136468900000000, 0.0169979900000000, 0.0013941400000000 ] - [ -0.0033308200000000, 0.0000000000000000, 0.0025838500000000 ] - [ -0.0014463700000000, 0.0000000000000000, 0.0027788500000000 ] - [ -0.0046715900000000, 0.0000000000000000, -0.0052194400000000 ] - [ -0.0029627100000000, 0.0000000000000000, -0.0047232700000000 ] - [ -0.0017200300000000, 0.0000000000000000, -0.0085365600000000 ] - [ -0.0013176400000000, 0.0000000000000000, -0.0068528300000000 ] - [ -0.0022050900000000, -0.0036775900000000, -0.0205152300000000 ] - [ -0.0022050900000000, 0.0036775900000000, -0.0205152300000000 ] - [ -0.0153099100000000, 0.0022823900000000, 0.0024592600000000 ] - [ -0.0104799000000000, 0.0107387300000000, 0.0036041100000000 ] - [ -0.0048651400000000, 0.0025904400000000, -0.0025119400000000 ] - [ -0.0051104400000000, 0.0030284900000000, -0.0024669900000000 ] - [ -0.0081292000000000, -0.0047601500000000, -0.0003785600000000 ] - [ -0.0060427100000000, -0.0035883400000000, -0.0003079300000000 ] - [ -0.0051104400000000, -0.0030284900000000, -0.0024669900000000 ] - [ -0.0048651400000000, -0.0025904400000000, -0.0025119400000000 ] - [ -0.0104799000000000, -0.0107387300000000, 0.0036041100000000 ] - [ -0.0153099100000000, -0.0022823900000000, 0.0024592600000000 ] - [ -0.0039678800000000, -0.0007426000000000, -0.0037793700000000 ] - [ -0.0038334200000000, -0.0028669300000000, -0.0029992500000000 ] - [ -0.0006803000000000, 0.0000790100000000, -0.0057599100000000 ] - [ -0.0006803000000000, -0.0000790100000000, -0.0057599100000000 ] - [ -0.0038334200000000, 0.0028669300000000, -0.0029992500000000 ] - [ -0.0039678800000000, 0.0007426000000000, -0.0037793700000000 ] - [ -0.0060427100000000, 0.0035883400000000, -0.0003079300000000 ] - [ -0.0081292000000000, 0.0047601500000000, -0.0003785600000000 ] - [ 0.0016698200000000, 0.0009179800000000, -0.0006169700000000 ] - [ 0.0023855300000000, 0.0002303400000000, -0.0023627700000000 ] - [ 0.0023855300000000, -0.0002303400000000, -0.0023627700000000 ] - [ 0.0016698200000000, -0.0009179800000000, -0.0006169700000000 ]- atom: 19 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0253200900000000, 0.0000000000000000, 0.0410868900000000 ] - [ 0.0031670600000000, 0.0000000000000000, 0.0071429400000000 ] - [ -0.0034136100000000, -0.0011382300000000, 0.0038333800000000 ] - [ -0.0034136100000000, 0.0011382300000000, 0.0038333800000000 ] - [ -0.0070466300000000, 0.0008234800000000, -0.0046744200000000 ] - [ -0.0070466300000000, -0.0008234800000000, -0.0046744200000000 ] - [ -0.0224389000000000, 0.0000000000000000, -0.0312441600000000 ] - [ 0.0002275100000000, 0.0000000000000000, -0.0053136300000000 ] - [ 0.0104847500000000, 0.0000000000000000, 0.0039636200000000 ] - [ 0.0045127500000000, 0.0000000000000000, 0.0048493500000000 ] - [ -0.0202679100000000, 0.0000000000000000, 0.0014688600000000 ] - [ -0.0135603800000000, 0.0000000000000000, -0.0003736700000000 ] - [ -0.0440826600000000, 0.0636553400000000, 0.0112367500000000 ] - [ -0.0440826600000000, -0.0636553400000000, 0.0112367500000000 ] - [ 0.0052336300000000, -0.0004970400000000, 0.0299645300000000 ] - [ 0.0052336300000000, 0.0004970400000000, 0.0299645300000000 ] - [ 0.0052712800000000, 0.0000000000000000, 0.0098398700000000 ] - [ 0.0028543500000000, 0.0000000000000000, 0.0046686100000000 ] - [ 0.2781396900000000, 0.0000000000000000, -0.0041614300000000 ] - [ 0.0449802500000000, 0.0000000000000000, 0.0042326100000000 ] - [ -0.0050978900000000, -0.0005613000000000, -0.0188366600000000 ] - [ -0.0050978900000000, 0.0005613000000000, -0.0188366600000000 ] - [ -0.0475859000000000, -0.0627257400000000, -0.0054710300000000 ] - [ -0.0475859000000000, 0.0627257400000000, -0.0054710300000000 ] - [ -0.0196875100000000, 0.0000000000000000, -0.0041066900000000 ] - [ -0.0136541100000000, 0.0000000000000000, -0.0023214200000000 ] - [ -0.0094515300000000, 0.0000000000000000, -0.0117988200000000 ] - [ -0.0089338600000000, 0.0000000000000000, -0.0087516500000000 ] - [ -0.0011717900000000, 0.0017934500000000, -0.0111613600000000 ] - [ -0.0011717900000000, -0.0017934500000000, -0.0111613600000000 ] - [ -0.0154294400000000, 0.0000025900000000, -0.0063983900000000 ] - [ -0.0154294400000000, -0.0000025900000000, -0.0063983900000000 ] - [ -0.0192535700000000, 0.0000000000000000, -0.0119354400000000 ] - [ -0.0048992400000000, 0.0000000000000000, -0.0035587600000000 ] - [ 0.0082848600000000, -0.0049770200000000, 0.0007245100000000 ] - [ 0.0061106300000000, -0.0037786300000000, 0.0007503600000000 ] - [ 0.0061106300000000, 0.0037786300000000, 0.0007503600000000 ] - [ 0.0082848600000000, 0.0049770200000000, 0.0007245100000000 ] - [ 0.0058727600000000, -0.0046134400000000, 0.0112773600000000 ] - [ 0.0058727600000000, 0.0046134400000000, 0.0112773600000000 ] - [ 0.0029804700000000, 0.0052241900000000, -0.0151234400000000 ] - [ 0.0029804700000000, -0.0052241900000000, -0.0151234400000000 ] - [ 0.0033656600000000, -0.0028711700000000, -0.0264402600000000 ] - [ 0.0033656600000000, 0.0028711700000000, -0.0264402600000000 ] - [ 0.0003553000000000, 0.0000000000000000, -0.0057981800000000 ] - [ 0.0005567100000000, 0.0000000000000000, -0.0042247900000000 ] - [ 0.0106288400000000, -0.0089379600000000, 0.0018500700000000 ] - [ 0.0142459000000000, -0.0035686900000000, 0.0007960400000000 ] - [ -0.0022763100000000, 0.0002903100000000, -0.0031484800000000 ] - [ -0.0043500000000000, 0.0006988400000000, -0.0043921200000000 ] - [ -0.0150646300000000, -0.0173742600000000, 0.0007067300000000 ] - [ -0.0152094500000000, -0.0000689900000000, -0.0062048900000000 ] - [ -0.0043500000000000, -0.0006988400000000, -0.0043921200000000 ] - [ -0.0022763100000000, -0.0002903100000000, -0.0031484800000000 ] - [ 0.0142459000000000, 0.0035686900000000, 0.0007960400000000 ] - [ 0.0106288400000000, 0.0089379600000000, 0.0018500700000000 ] - [ -0.0016548000000000, -0.0005998300000000, -0.0037550800000000 ] - [ -0.0015390800000000, -0.0025224400000000, -0.0052182900000000 ] - [ -0.0084240500000000, 0.0000000000000000, 0.0014774800000000 ] - [ -0.0022777500000000, 0.0000000000000000, -0.0039807300000000 ] - [ -0.0015390800000000, 0.0025224400000000, -0.0052182900000000 ] - [ -0.0016548000000000, 0.0005998300000000, -0.0037550800000000 ] - [ -0.0152094500000000, 0.0000689900000000, -0.0062048900000000 ] - [ -0.0150646300000000, 0.0173742600000000, 0.0007067300000000 ] - [ -0.0010525900000000, -0.0011776100000000, 0.0006922200000000 ] - [ -0.0003157700000000, -0.0009115100000000, 0.0004372500000000 ] - [ -0.0003157700000000, 0.0009115100000000, 0.0004372500000000 ] - [ -0.0010525900000000, 0.0011776100000000, 0.0006922200000000 ] - [ 0.0022441200000000, 0.0000178000000000, 0.0059469200000000 ] - [ 0.0022441200000000, -0.0000178000000000, 0.0059469200000000 ] - [ -0.0137941900000000, 0.0168331600000000, -0.0016764200000000 ] - [ -0.0340368100000000, 0.0240576800000000, 0.0082685200000000 ] - [ -0.0340368100000000, -0.0240576800000000, 0.0082685200000000 ] - [ -0.0137941900000000, -0.0168331600000000, -0.0016764200000000 ] - [ 0.0032221500000000, 0.0000000000000000, -0.0030207800000000 ] - [ 0.0013343200000000, 0.0000000000000000, -0.0032000200000000 ] - [ 0.0048832100000000, 0.0000000000000000, 0.0060580400000000 ] - [ 0.0031621800000000, 0.0000000000000000, 0.0055373600000000 ] - [ 0.0011844300000000, 0.0000000000000000, 0.0087653700000000 ] - [ 0.0007851300000000, 0.0000000000000000, 0.0070770400000000 ] - [ 0.0021944000000000, 0.0036576500000000, 0.0197522200000000 ] - [ 0.0021944000000000, -0.0036576500000000, 0.0197522200000000 ] - [ 0.0156360800000000, -0.0024099200000000, -0.0026849000000000 ] - [ 0.0108012300000000, -0.0108750200000000, -0.0038302200000000 ] - [ 0.0048112600000000, -0.0023988800000000, 0.0022615900000000 ] - [ 0.0050549800000000, -0.0028353200000000, 0.0022165800000000 ] - [ 0.0077609400000000, 0.0044023300000000, 0.0005214900000000 ] - [ 0.0056617600000000, 0.0032342800000000, 0.0004482900000000 ] - [ 0.0050549800000000, 0.0028353200000000, 0.0022165800000000 ] - [ 0.0048112600000000, 0.0023988800000000, 0.0022615900000000 ] - [ 0.0108012300000000, 0.0108750200000000, -0.0038302200000000 ] - [ 0.0156360800000000, 0.0024099200000000, -0.0026849000000000 ] - [ 0.0035474600000000, 0.0002890500000000, 0.0037763800000000 ] - [ 0.0034156200000000, 0.0024311400000000, 0.0029898800000000 ] - [ 0.0010996800000000, -0.0000793400000000, 0.0056563200000000 ] - [ 0.0010996800000000, 0.0000793400000000, 0.0056563200000000 ] - [ 0.0034156200000000, -0.0024311400000000, 0.0029898800000000 ] - [ 0.0035474600000000, -0.0002890500000000, 0.0037763800000000 ] - [ 0.0056617600000000, -0.0032342800000000, 0.0004482900000000 ] - [ 0.0077609400000000, -0.0044023300000000, 0.0005214900000000 ] - [ -0.0017722200000000, -0.0011831500000000, 0.0009957800000000 ] - [ -0.0025325700000000, -0.0005187900000000, 0.0027238500000000 ] - [ -0.0025325700000000, 0.0005187900000000, 0.0027238500000000 ] - [ -0.0017722200000000, 0.0011831500000000, 0.0009957800000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001482800000000, -0.0262800400000000, -0.0001532000000000 ] - [ 0.0001573800000000, 0.0088321500000000, -0.0001583100000000 ] - [ 0.0040171900000000, 0.0005004500000000, -0.0013288800000000 ] - [ -0.0029693800000000, 0.0005153100000000, 0.0014489600000000 ] - [ -0.0027356500000000, 0.0000695100000000, -0.0014532500000000 ] - [ 0.0030004100000000, 0.0000680700000000, 0.0011404000000000 ] - [ 0.0005328100000000, -0.0214417900000000, 0.0000341500000000 ] - [ 0.0005211900000000, 0.0082890200000000, 0.0000533900000000 ] - [ -0.0001668500000000, -0.0124593100000000, -0.0000965900000000 ] - [ -0.0001836700000000, 0.0085452500000000, -0.0001826000000000 ] - [ 0.0003101300000000, -0.0150501900000000, 0.0001565900000000 ] - [ 0.0003010000000000, 0.0126345600000000, 0.0001690100000000 ] - [ -0.0474276800000000, 0.0540855100000000, 0.0045648300000000 ] - [ 0.0472744100000000, 0.0537995600000000, -0.0032126000000000 ] - [ -0.0008515700000000, 0.0007999400000000, 0.0058622600000000 ] - [ 0.0017804600000000, 0.0008591100000000, -0.0057996500000000 ] - [ -0.0000441800000000, -0.0110283900000000, -0.0003041800000000 ] - [ -0.0000382900000000, 0.0096657600000000, -0.0001096700000000 ] - [ -0.0016800500000000, -0.2097111500000000, 0.0003377000000000 ] - [ 0.0000057600000000, 0.0371343900000000, -0.0001727900000000 ] - [ 0.0003121700000000, 0.0001712000000000, 0.0137097400000000 ] - [ -0.0007303100000000, 0.0002093000000000, -0.0140648700000000 ] - [ 0.0536853700000000, 0.0556161000000000, 0.0070373400000000 ] - [ -0.0528984400000000, 0.0555617000000000, -0.0067425900000000 ] - [ 0.0000525400000000, -0.0163801500000000, 0.0006533900000000 ] - [ 0.0000943800000000, 0.0132441400000000, 0.0006609200000000 ] - [ 0.0004502400000000, -0.0055669800000000, -0.0000106900000000 ] - [ 0.0004467800000000, 0.0067839300000000, -0.0000117300000000 ] - [ -0.0002164800000000, 0.0002809500000000, -0.0069196900000000 ] - [ 0.0001423300000000, 0.0003039600000000, 0.0066362400000000 ] - [ -0.0000237700000000, 0.0008500500000000, 0.0007977000000000 ] - [ -0.0000173600000000, 0.0008666800000000, -0.0011758400000000 ] - [ -0.0003939400000000, 0.0124482200000000, 0.0007537600000000 ] - [ -0.0004577600000000, -0.0038440100000000, 0.0001978900000000 ] - [ 0.0002041200000000, 0.0012408400000000, -0.0007264400000000 ] - [ 0.0006224700000000, -0.0020977500000000, 0.0006653100000000 ] - [ -0.0006844300000000, -0.0018849300000000, -0.0009284600000000 ] - [ -0.0002703700000000, 0.0014509600000000, 0.0004642000000000 ] - [ 0.0058391000000000, -0.0030101400000000, 0.0101814400000000 ] - [ -0.0059240700000000, -0.0029871300000000, -0.0105394400000000 ] - [ -0.0049482500000000, -0.0034551500000000, 0.0077720700000000 ] - [ 0.0051071900000000, -0.0034527000000000, -0.0069484900000000 ] - [ 0.0031113300000000, -0.0023322600000000, -0.0150448500000000 ] - [ -0.0036173800000000, -0.0023140000000000, 0.0151554600000000 ] - [ 0.0000005900000000, 0.0016734500000000, -0.0003930800000000 ] - [ 0.0000027600000000, -0.0012449300000000, -0.0004219200000000 ] - [ 0.0103500000000000, -0.0107629100000000, 0.0016975400000000 ] - [ -0.0127680400000000, 0.0081789100000000, -0.0012558500000000 ] - [ 0.0034076400000000, -0.0050153200000000, -0.0008191500000000 ] - [ -0.0034082000000000, 0.0049809000000000, -0.0003266000000000 ] - [ -0.0087948200000000, -0.0189331600000000, 0.0017684600000000 ] - [ -0.0032730900000000, 0.0039710000000000, 0.0020451000000000 ] - [ 0.0033389600000000, 0.0048055600000000, 0.0000063400000000 ] - [ -0.0035202300000000, -0.0052408500000000, 0.0005413300000000 ] - [ 0.0130698900000000, 0.0082642700000000, 0.0010552200000000 ] - [ -0.0100437400000000, -0.0106434200000000, -0.0018978500000000 ] - [ -0.0031065300000000, -0.0045611800000000, 0.0005914900000000 ] - [ 0.0018537300000000, 0.0039027600000000, 0.0008593700000000 ] - [ 0.0002909900000000, 0.0082934200000000, -0.0004785300000000 ] - [ 0.0002099200000000, -0.0028972700000000, -0.0000774500000000 ] - [ -0.0023279900000000, 0.0044026700000000, -0.0008644800000000 ] - [ 0.0026725400000000, -0.0041100300000000, -0.0006259000000000 ] - [ 0.0013665100000000, 0.0053283400000000, -0.0020668700000000 ] - [ 0.0084285400000000, -0.0185377500000000, -0.0016166000000000 ] - [ 0.0023535200000000, 0.0032271900000000, -0.0005869400000000 ] - [ -0.0019245800000000, -0.0030597500000000, 0.0005845500000000 ] - [ 0.0018269200000000, -0.0027926600000000, -0.0002254200000000 ] - [ -0.0023987500000000, 0.0034337700000000, 0.0009687800000000 ] - [ -0.0005731900000000, -0.0000266300000000, -0.0023818500000000 ] - [ -0.0003287600000000, -0.0000335300000000, 0.0028040100000000 ] - [ 0.0080558400000000, -0.0198697300000000, 0.0006863700000000 ] - [ -0.0230006500000000, 0.0403989200000000, 0.0068309700000000 ] - [ 0.0260179000000000, 0.0427357200000000, -0.0074713200000000 ] - [ -0.0081841800000000, -0.0196770700000000, -0.0009572100000000 ] - [ -0.0000587400000000, 0.0032297600000000, -0.0002305500000000 ] - [ -0.0000693100000000, -0.0032962200000000, -0.0002001700000000 ] - [ 0.0001038200000000, 0.0022436600000000, 0.0004115400000000 ] - [ 0.0001044400000000, -0.0025663900000000, 0.0004034800000000 ] - [ -0.0002662200000000, 0.0012337300000000, 0.0001061000000000 ] - [ -0.0002688900000000, -0.0012543000000000, 0.0001019000000000 ] - [ -0.0025769400000000, -0.0031027700000000, -0.0170996100000000 ] - [ 0.0025537400000000, -0.0030861800000000, 0.0162657800000000 ] - [ -0.0153843100000000, 0.0077882100000000, 0.0030687000000000 ] - [ 0.0105618700000000, -0.0125253200000000, -0.0032932300000000 ] - [ -0.0020192400000000, 0.0025434100000000, -0.0004716800000000 ] - [ 0.0024455700000000, -0.0028817300000000, 0.0004767100000000 ] - [ -0.0006472300000000, 0.0018863500000000, -0.0006769900000000 ] - [ -0.0006674600000000, -0.0026941800000000, 0.0008553800000000 ] - [ -0.0025228800000000, -0.0030807400000000, -0.0007444900000000 ] - [ 0.0019376400000000, 0.0023400900000000, 0.0001995800000000 ] - [ -0.0102807000000000, -0.0124324200000000, 0.0030950000000000 ] - [ 0.0157263100000000, 0.0079050300000000, -0.0032881000000000 ] - [ 0.0006633200000000, 0.0019289700000000, 0.0003609200000000 ] - [ -0.0016527200000000, -0.0026264200000000, -0.0012718200000000 ] - [ 0.0002960600000000, -0.0000570400000000, 0.0012013600000000 ] - [ 0.0001274900000000, -0.0000604300000000, -0.0013219400000000 ] - [ 0.0012176600000000, -0.0021672900000000, 0.0012568900000000 ] - [ -0.0010883500000000, 0.0023832600000000, -0.0003759700000000 ] - [ 0.0002678700000000, -0.0023168300000000, -0.0007031800000000 ] - [ 0.0002754600000000, 0.0022496600000000, 0.0008319600000000 ] - [ -0.0013722000000000, -0.0023700700000000, 0.0007854100000000 ] - [ 0.0014394100000000, 0.0024501300000000, -0.0012541000000000 ] - [ -0.0015664500000000, 0.0027336400000000, 0.0015908700000000 ] - [ 0.0012903700000000, -0.0021188300000000, -0.0004201900000000 ]- atom: 19 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0461482700000000, 0.0000000000000000, 0.0292987100000000 ] - [ 0.0001687200000000, 0.0000000000000000, 0.0031961800000000 ] - [ -0.0025975900000000, 0.0036003800000000, 0.0068531000000000 ] - [ -0.0025975900000000, -0.0036003800000000, 0.0068531000000000 ] - [ -0.0013618500000000, -0.0004176700000000, -0.0019240800000000 ] - [ -0.0013618500000000, 0.0004176700000000, -0.0019240800000000 ] - [ 0.0115678600000000, 0.0000000000000000, -0.0194261100000000 ] - [ 0.0006334600000000, 0.0000000000000000, -0.0042331500000000 ] - [ 0.0007029100000000, 0.0000000000000000, 0.0919048800000000 ] - [ -0.0016449700000000, 0.0000000000000000, 0.0022640200000000 ] - [ -0.0102219300000000, 0.0000000000000000, 0.0123097500000000 ] - [ -0.0063570100000000, 0.0000000000000000, 0.0009514000000000 ] - [ -0.0278297300000000, 0.0352343600000000, 0.0013915900000000 ] - [ -0.0278297300000000, -0.0352343600000000, 0.0013915900000000 ] - [ -0.0184874500000000, -0.0020912100000000, 0.0189594200000000 ] - [ -0.0184874500000000, 0.0020912100000000, 0.0189594200000000 ] - [ -0.0014409000000000, 0.0000000000000000, 0.1110734800000000 ] - [ -0.0025165300000000, 0.0000000000000000, 0.0016059600000000 ] - [ 0.1626512000000000, 0.0000000000000000, -0.2199254100000000 ] - [ 0.0222016000000000, 0.0000000000000000, -0.0017484600000000 ] - [ 0.0123743300000000, 0.0111148700000000, -0.0086393500000000 ] - [ 0.0123743300000000, -0.0111148700000000, -0.0086393500000000 ] - [ -0.0303986300000000, -0.0364770300000000, -0.0093892200000000 ] - [ -0.0303986300000000, 0.0364770300000000, -0.0093892200000000 ] - [ -0.0101358000000000, 0.0000000000000000, 0.0057569800000000 ] - [ -0.0060300000000000, 0.0000000000000000, 0.0006423200000000 ] - [ 0.0032122600000000, 0.0000000000000000, -0.0020414300000000 ] - [ 0.0019044100000000, 0.0000000000000000, -0.0036900400000000 ] - [ 0.0107607300000000, -0.0102755000000000, -0.0032085100000000 ] - [ 0.0107607300000000, 0.0102755000000000, -0.0032085100000000 ] - [ -0.0037573900000000, -0.0008097300000000, 0.0044989200000000 ] - [ -0.0037573900000000, 0.0008097300000000, 0.0044989200000000 ] - [ -0.0083092400000000, 0.0000000000000000, 0.0220819500000000 ] - [ -0.0020363500000000, 0.0000000000000000, 0.0001626300000000 ] - [ 0.0016704700000000, -0.0001053200000000, -0.0007828300000000 ] - [ 0.0021777500000000, -0.0015615900000000, -0.0003414700000000 ] - [ 0.0021777500000000, 0.0015615900000000, -0.0003414700000000 ] - [ 0.0016704700000000, 0.0001053200000000, -0.0007828300000000 ] - [ 0.0021770200000000, -0.0009427500000000, 0.0086552100000000 ] - [ 0.0021770200000000, 0.0009427500000000, 0.0086552100000000 ] - [ 0.0052145900000000, 0.0027901600000000, -0.0080611400000000 ] - [ 0.0052145900000000, -0.0027901600000000, -0.0080611400000000 ] - [ 0.0036888200000000, -0.0017098300000000, -0.0147693300000000 ] - [ 0.0036888200000000, 0.0017098300000000, -0.0147693300000000 ] - [ 0.0016377100000000, 0.0000000000000000, -0.0251871600000000 ] - [ 0.0005142200000000, 0.0000000000000000, -0.0035510900000000 ] - [ 0.0057998800000000, -0.0046624500000000, 0.0016909700000000 ] - [ 0.0090546000000000, -0.0037760200000000, 0.0005520800000000 ] - [ 0.0009924300000000, -0.0008492800000000, -0.0019692400000000 ] - [ 0.0164789500000000, -0.0139951000000000, -0.0105042000000000 ] - [ -0.0071838300000000, -0.0088705100000000, 0.0011338600000000 ] - [ 0.0031711400000000, 0.0078139300000000, 0.0070012100000000 ] - [ 0.0164789500000000, 0.0139951000000000, -0.0105042000000000 ] - [ 0.0009924300000000, 0.0008492800000000, -0.0019692400000000 ] - [ 0.0090546000000000, 0.0037760200000000, 0.0005520800000000 ] - [ 0.0057998800000000, 0.0046624500000000, 0.0016909700000000 ] - [ 0.0026450100000000, 0.0003803800000000, -0.0021116100000000 ] - [ 0.0150899100000000, 0.0122835200000000, -0.0114244100000000 ] - [ -0.0069585700000000, 0.0000000000000000, 0.0274251900000000 ] - [ -0.0008600500000000, 0.0000000000000000, -0.0000501100000000 ] - [ 0.0150899100000000, -0.0122835200000000, -0.0114244100000000 ] - [ 0.0026450100000000, -0.0003803800000000, -0.0021116100000000 ] - [ 0.0031711400000000, -0.0078139300000000, 0.0070012100000000 ] - [ -0.0071838300000000, 0.0088705100000000, 0.0011338600000000 ] - [ -0.0153119400000000, -0.0178597800000000, -0.0061061000000000 ] - [ 0.0007943200000000, 0.0020640700000000, 0.0001184200000000 ] - [ 0.0007943200000000, -0.0020640700000000, 0.0001184200000000 ] - [ -0.0153119400000000, 0.0178597800000000, -0.0061061000000000 ] - [ -0.0013268900000000, -0.0010111800000000, -0.0026450500000000 ] - [ -0.0013268900000000, 0.0010111800000000, -0.0026450500000000 ] - [ -0.0063443100000000, 0.0085752600000000, -0.0003787700000000 ] - [ -0.0294745400000000, 0.0231275100000000, 0.0172163100000000 ] - [ -0.0294745400000000, -0.0231275100000000, 0.0172163100000000 ] - [ -0.0063443100000000, -0.0085752600000000, -0.0003787700000000 ] - [ 0.0051161300000000, 0.0000000000000000, -0.0156646000000000 ] - [ 0.0008884400000000, 0.0000000000000000, -0.0024213200000000 ] - [ 0.0001356600000000, 0.0000000000000000, 0.0005043900000000 ] - [ 0.0008589100000000, 0.0000000000000000, 0.0030055500000000 ] - [ 0.0004919900000000, 0.0000000000000000, 0.0009554400000000 ] - [ -0.0000970800000000, 0.0000000000000000, 0.0028842300000000 ] - [ 0.0002297500000000, 0.0012984200000000, 0.0152616200000000 ] - [ 0.0002297500000000, -0.0012984200000000, 0.0152616200000000 ] - [ 0.0106960800000000, -0.0020632600000000, -0.0020079300000000 ] - [ 0.0062827600000000, -0.0056779400000000, -0.0020212800000000 ] - [ -0.0017185500000000, 0.0007078500000000, 0.0004758600000000 ] - [ -0.0015153000000000, 0.0014736400000000, 0.0006419800000000 ] - [ 0.0023971700000000, 0.0011053800000000, -0.0010692000000000 ] - [ 0.0016251300000000, 0.0012748600000000, -0.0007491900000000 ] - [ -0.0015153000000000, -0.0014736400000000, 0.0006419800000000 ] - [ -0.0017185500000000, -0.0007078500000000, 0.0004758600000000 ] - [ 0.0062827600000000, 0.0056779400000000, -0.0020212800000000 ] - [ 0.0106960800000000, 0.0020632600000000, -0.0020079300000000 ] - [ -0.0021309600000000, -0.0007404800000000, 0.0016775000000000 ] - [ -0.0022335700000000, -0.0019363100000000, 0.0019514100000000 ] - [ -0.0000851600000000, 0.0007145700000000, -0.0028359800000000 ] - [ -0.0000851600000000, -0.0007145700000000, -0.0028359800000000 ] - [ -0.0022335700000000, 0.0019363100000000, 0.0019514100000000 ] - [ -0.0021309600000000, 0.0007404800000000, 0.0016775000000000 ] - [ 0.0016251300000000, -0.0012748600000000, -0.0007491900000000 ] - [ 0.0023971700000000, -0.0011053800000000, -0.0010692000000000 ] - [ 0.0001779500000000, 0.0016234100000000, 0.0007307500000000 ] - [ -0.0167055000000000, -0.0137979300000000, -0.0069134000000000 ] - [ -0.0167055000000000, 0.0137979300000000, -0.0069134000000000 ] - [ 0.0001779500000000, -0.0016234100000000, 0.0007307500000000 ]- atom: 19 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0470597400000000, 0.0000000000000000, -0.0299195900000000 ] - [ 0.0001356200000000, 0.0000000000000000, -0.0035097600000000 ] - [ 0.0036464700000000, -0.0035713600000000, -0.0066987500000000 ] - [ 0.0036464700000000, 0.0035713600000000, -0.0066987500000000 ] - [ 0.0016582300000000, 0.0004285100000000, 0.0016161700000000 ] - [ 0.0016582300000000, -0.0004285100000000, 0.0016161700000000 ] - [ -0.0105590900000000, 0.0000000000000000, 0.0195695400000000 ] - [ 0.0004201100000000, 0.0000000000000000, 0.0043550100000000 ] - [ -0.0011135500000000, 0.0000000000000000, -0.0924732100000000 ] - [ 0.0012519200000000, 0.0000000000000000, -0.0026029600000000 ] - [ 0.0108510900000000, 0.0000000000000000, -0.0119536400000000 ] - [ 0.0069963400000000, 0.0000000000000000, -0.0006307900000000 ] - [ 0.0279544100000000, -0.0351887400000000, -0.0001432300000000 ] - [ 0.0279544100000000, 0.0351887400000000, -0.0001432300000000 ] - [ 0.0193726700000000, 0.0021444900000000, -0.0189326400000000 ] - [ 0.0193726700000000, -0.0021444900000000, -0.0189326400000000 ] - [ 0.0013571800000000, 0.0000000000000000, -0.1104602200000000 ] - [ 0.0024283100000000, 0.0000000000000000, -0.0018345100000000 ] - [ -0.1647858600000000, 0.0000000000000000, 0.2186324000000000 ] - [ -0.0221659300000000, 0.0000000000000000, 0.0013727100000000 ] - [ -0.0126998300000000, -0.0110733400000000, 0.0082869600000000 ] - [ -0.0126998300000000, 0.0110733400000000, 0.0082869600000000 ] - [ 0.0309758300000000, 0.0364356600000000, 0.0097329500000000 ] - [ 0.0309758300000000, -0.0364356600000000, 0.0097329500000000 ] - [ 0.0103097400000000, 0.0000000000000000, -0.0044180200000000 ] - [ 0.0061925500000000, 0.0000000000000000, 0.0006739400000000 ] - [ -0.0022816100000000, 0.0000000000000000, 0.0020580200000000 ] - [ -0.0009791600000000, 0.0000000000000000, 0.0036901800000000 ] - [ -0.0108415500000000, 0.0102571300000000, 0.0030056700000000 ] - [ -0.0108415500000000, -0.0102571300000000, 0.0030056700000000 ] - [ 0.0037509300000000, 0.0008118200000000, -0.0048574600000000 ] - [ 0.0037509300000000, -0.0008118200000000, -0.0048574600000000 ] - [ 0.0069559300000000, 0.0000000000000000, -0.0261842100000000 ] - [ 0.0011249000000000, 0.0000000000000000, 0.0002334000000000 ] - [ -0.0017488900000000, -0.0000924900000000, 0.0005108100000000 ] - [ -0.0022458100000000, 0.0013566300000000, 0.0000692400000000 ] - [ -0.0022458100000000, -0.0013566300000000, 0.0000692400000000 ] - [ -0.0017488900000000, 0.0000924900000000, 0.0005108100000000 ] - [ -0.0023056300000000, 0.0009444400000000, -0.0090477900000000 ] - [ -0.0023056300000000, -0.0009444400000000, -0.0090477900000000 ] - [ -0.0050231300000000, -0.0028189300000000, 0.0088575700000000 ] - [ -0.0050231300000000, 0.0028189300000000, 0.0088575700000000 ] - [ -0.0042177000000000, 0.0016975700000000, 0.0150042700000000 ] - [ -0.0042177000000000, -0.0016975700000000, 0.0150042700000000 ] - [ -0.0016385300000000, 0.0000000000000000, 0.0242317800000000 ] - [ -0.0005055100000000, 0.0000000000000000, 0.0026857200000000 ] - [ -0.0055186700000000, 0.0045765600000000, -0.0018988700000000 ] - [ -0.0087627000000000, 0.0036874200000000, -0.0007590700000000 ] - [ -0.0010750300000000, 0.0010512400000000, 0.0017045200000000 ] - [ -0.0165318600000000, 0.0142062800000000, 0.0102769900000000 ] - [ 0.0067735400000000, 0.0084808000000000, -0.0009872500000000 ] - [ -0.0035533300000000, -0.0082302400000000, -0.0069382600000000 ] - [ -0.0165318600000000, -0.0142062800000000, 0.0102769900000000 ] - [ -0.0010750300000000, -0.0010512400000000, 0.0017045200000000 ] - [ -0.0087627000000000, -0.0036874200000000, -0.0007590700000000 ] - [ -0.0055186700000000, -0.0045765600000000, -0.0018988700000000 ] - [ -0.0030747600000000, -0.0008408900000000, 0.0020891700000000 ] - [ -0.0155269600000000, -0.0127199700000000, 0.0113188800000000 ] - [ 0.0076180700000000, 0.0000000000000000, -0.0226482500000000 ] - [ 0.0012765000000000, 0.0000000000000000, -0.0000637600000000 ] - [ -0.0155269600000000, 0.0127199700000000, 0.0113188800000000 ] - [ -0.0030747600000000, 0.0008408900000000, 0.0020891700000000 ] - [ -0.0035533300000000, 0.0082302400000000, -0.0069382600000000 ] - [ 0.0067735400000000, -0.0084808000000000, -0.0009872500000000 ] - [ 0.0152046500000000, 0.0175797100000000, 0.0063887000000000 ] - [ -0.0008904200000000, -0.0023142600000000, 0.0002501300000000 ] - [ -0.0008904200000000, 0.0023142600000000, 0.0002501300000000 ] - [ 0.0152046500000000, -0.0175797100000000, 0.0063887000000000 ] - [ 0.0004100400000000, 0.0010067000000000, 0.0030452900000000 ] - [ 0.0004100400000000, -0.0010067000000000, 0.0030452900000000 ] - [ 0.0062469700000000, -0.0087546400000000, 0.0000993700000000 ] - [ 0.0303475700000000, -0.0244424900000000, -0.0172238700000000 ] - [ 0.0303475700000000, 0.0244424900000000, -0.0172238700000000 ] - [ 0.0062469700000000, 0.0087546400000000, 0.0000993700000000 ] - [ -0.0052608700000000, 0.0000000000000000, 0.0152366800000000 ] - [ -0.0010149200000000, 0.0000000000000000, 0.0020093700000000 ] - [ 0.0000642600000000, 0.0000000000000000, 0.0002803700000000 ] - [ -0.0006636300000000, 0.0000000000000000, -0.0022055000000000 ] - [ -0.0010277900000000, 0.0000000000000000, -0.0007753000000000 ] - [ -0.0004400800000000, 0.0000000000000000, -0.0026940500000000 ] - [ -0.0002347800000000, -0.0013024600000000, -0.0160705700000000 ] - [ -0.0002347800000000, 0.0013024600000000, -0.0160705700000000 ] - [ -0.0104044500000000, 0.0019522200000000, 0.0017632500000000 ] - [ -0.0059785200000000, 0.0055604100000000, 0.0018051100000000 ] - [ 0.0016237400000000, -0.0004977200000000, -0.0007376200000000 ] - [ 0.0014240800000000, -0.0012598800000000, -0.0009039300000000 ] - [ -0.0028149200000000, -0.0014922600000000, 0.0012045300000000 ] - [ -0.0020369600000000, -0.0016455200000000, 0.0008851000000000 ] - [ 0.0014240800000000, 0.0012598800000000, -0.0009039300000000 ] - [ 0.0016237400000000, 0.0004977200000000, -0.0007376200000000 ] - [ -0.0059785200000000, -0.0055604100000000, 0.0018051100000000 ] - [ -0.0104044500000000, -0.0019522200000000, 0.0017632500000000 ] - [ 0.0016905400000000, 0.0002838000000000, -0.0016966300000000 ] - [ 0.0017869300000000, 0.0014731300000000, -0.0019742800000000 ] - [ 0.0005056100000000, -0.0007159500000000, 0.0026959300000000 ] - [ 0.0005056100000000, 0.0007159500000000, 0.0026959300000000 ] - [ 0.0017869300000000, -0.0014731300000000, -0.0019742800000000 ] - [ 0.0016905400000000, -0.0002838000000000, -0.0016966300000000 ] - [ -0.0020369600000000, 0.0016455200000000, 0.0008851000000000 ] - [ -0.0028149200000000, 0.0014922600000000, 0.0012045300000000 ] - [ -0.0002645900000000, -0.0018767300000000, -0.0003615400000000 ] - [ 0.0165754300000000, 0.0135079500000000, 0.0072934500000000 ] - [ 0.0165754300000000, -0.0135079500000000, 0.0072934500000000 ] - [ -0.0002645900000000, 0.0018767300000000, -0.0003615400000000 ]- atom: 33 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0147819300000000, 0.0000000000000000, 0.0010769600000000 ] - [ 0.0006799300000000, 0.0000000000000000, 0.0001349700000000 ] - [ -0.0008419600000000, -0.0005579400000000, -0.0001290100000000 ] - [ -0.0008419600000000, 0.0005579400000000, -0.0001290100000000 ] - [ -0.0012526800000000, 0.0005874400000000, -0.0003226900000000 ] - [ -0.0012526800000000, -0.0005874400000000, -0.0003226900000000 ] - [ -0.0135880700000000, 0.0000000000000000, 0.0011206700000000 ] - [ 0.0010548500000000, 0.0000000000000000, 0.0003337600000000 ] - [ 0.0180561900000000, 0.0000000000000000, 0.0014286000000000 ] - [ 0.0042251100000000, 0.0000000000000000, 0.0010234600000000 ] - [ -0.0017447200000000, 0.0000000000000000, 0.0017138500000000 ] - [ -0.0009163500000000, 0.0000000000000000, 0.0005972400000000 ] - [ -0.0028344200000000, 0.0058519800000000, 0.0058389900000000 ] - [ -0.0028344200000000, -0.0058519800000000, 0.0058389900000000 ] - [ -0.0023443300000000, -0.0057652600000000, 0.0050725300000000 ] - [ -0.0023443300000000, 0.0057652600000000, 0.0050725300000000 ] - [ -0.0018839000000000, 0.0000000000000000, 0.0002713700000000 ] - [ -0.0012303400000000, 0.0000000000000000, 0.0003374400000000 ] - [ 0.0188145100000000, 0.0000000000000000, 0.0034253700000000 ] - [ 0.0044244500000000, 0.0000000000000000, 0.0009919700000000 ] - [ -0.0029813700000000, -0.0001694300000000, -0.0031494500000000 ] - [ -0.0029813700000000, 0.0001694300000000, -0.0031494500000000 ] - [ -0.0037855500000000, -0.0062394100000000, -0.0020447600000000 ] - [ -0.0037855500000000, 0.0062394100000000, -0.0020447600000000 ] - [ -0.0030817900000000, 0.0000000000000000, -0.0029042000000000 ] - [ -0.0025265100000000, 0.0000000000000000, -0.0006997700000000 ] - [ -0.0029459800000000, 0.0000000000000000, -0.0035869800000000 ] - [ -0.0022527700000000, 0.0000000000000000, -0.0013181100000000 ] - [ -0.0039229500000000, 0.0061401100000000, -0.0023882800000000 ] - [ -0.0039229500000000, -0.0061401100000000, -0.0023882800000000 ] - [ -0.0026866300000000, 0.0001163300000000, -0.0031123300000000 ] - [ -0.0026866300000000, -0.0001163300000000, -0.0031123300000000 ] - [ -0.0493128300000000, 0.0000000000000000, -0.0111422500000000 ] - [ -0.0013605600000000, 0.0000000000000000, -0.0007519800000000 ] - [ 0.0010989300000000, -0.0008976400000000, -0.0000819000000000 ] - [ 0.0006888300000000, -0.0004451000000000, 0.0000082300000000 ] - [ 0.0006888300000000, 0.0004451000000000, 0.0000082300000000 ] - [ 0.0010989300000000, 0.0008976400000000, -0.0000819000000000 ] - [ 0.0006488100000000, -0.0017643800000000, -0.0007202600000000 ] - [ 0.0006488100000000, 0.0017643800000000, -0.0007202600000000 ] - [ 0.0008259300000000, 0.0016809700000000, -0.0001716500000000 ] - [ 0.0008259300000000, -0.0016809700000000, -0.0001716500000000 ] - [ 0.0005636500000000, 0.0000283300000000, -0.0061886000000000 ] - [ 0.0005636500000000, -0.0000283300000000, -0.0061886000000000 ] - [ 0.0024433700000000, 0.0000000000000000, -0.0005452700000000 ] - [ -0.0001768800000000, 0.0000000000000000, -0.0013180300000000 ] - [ 0.0012162700000000, -0.0010749300000000, -0.0005260900000000 ] - [ 0.0010477000000000, 0.0004216200000000, -0.0011513500000000 ] - [ -0.0016941300000000, 0.0014964800000000, -0.0004913300000000 ] - [ 0.0055666500000000, -0.0092045300000000, -0.0122716200000000 ] - [ -0.0018577800000000, -0.0015998800000000, -0.0002876000000000 ] - [ 0.0049991100000000, 0.0091522700000000, -0.0124351800000000 ] - [ 0.0055666500000000, 0.0092045300000000, -0.0122716200000000 ] - [ -0.0016941300000000, -0.0014964800000000, -0.0004913300000000 ] - [ 0.0010477000000000, -0.0004216200000000, -0.0011513500000000 ] - [ 0.0012162700000000, 0.0010749300000000, -0.0005260900000000 ] - [ 0.0008326400000000, 0.0008025600000000, -0.0004260200000000 ] - [ 0.0005005400000000, -0.0007733500000000, -0.0009098600000000 ] - [ 0.0024950600000000, 0.0000000000000000, 0.0023107000000000 ] - [ 0.0000266600000000, 0.0000000000000000, -0.0009443900000000 ] - [ 0.0005005400000000, 0.0007733500000000, -0.0009098600000000 ] - [ 0.0008326400000000, -0.0008025600000000, -0.0004260200000000 ] - [ 0.0049991100000000, -0.0091522700000000, -0.0124351800000000 ] - [ -0.0018577800000000, 0.0015998800000000, -0.0002876000000000 ] - [ 0.0011625500000000, 0.0007581500000000, 0.0003039200000000 ] - [ 0.0006631800000000, 0.0001912700000000, 0.0003282300000000 ] - [ 0.0006631800000000, -0.0001912700000000, 0.0003282300000000 ] - [ 0.0011625500000000, -0.0007581500000000, 0.0003039200000000 ] - [ 0.0002886200000000, 0.0000084600000000, 0.0016987600000000 ] - [ 0.0002886200000000, -0.0000084600000000, 0.0016987600000000 ] - [ -0.0015811500000000, 0.0014378200000000, -0.0001991000000000 ] - [ 0.0065785900000000, -0.0097859000000000, 0.0122849300000000 ] - [ 0.0065785900000000, 0.0097859000000000, 0.0122849300000000 ] - [ -0.0015811500000000, -0.0014378200000000, -0.0001991000000000 ] - [ 0.0032652100000000, 0.0000000000000000, 0.0009098500000000 ] - [ 0.0004062400000000, 0.0000000000000000, 0.0000716100000000 ] - [ 0.0039359500000000, 0.0000000000000000, 0.0011789800000000 ] - [ 0.0005580600000000, 0.0000000000000000, 0.0006665300000000 ] - [ 0.0000225200000000, 0.0000000000000000, 0.0029408400000000 ] - [ -0.0000428900000000, 0.0000000000000000, 0.0016818300000000 ] - [ 0.0004378700000000, 0.0004699800000000, 0.0026775700000000 ] - [ 0.0004378700000000, -0.0004699800000000, 0.0026775700000000 ] - [ 0.0015830100000000, 0.0002038100000000, 0.0007522200000000 ] - [ 0.0017874700000000, -0.0017024100000000, 0.0000468500000000 ] - [ 0.0015952300000000, -0.0009634900000000, 0.0003559100000000 ] - [ 0.0013258900000000, -0.0006947100000000, 0.0002124000000000 ] - [ 0.0013459400000000, 0.0008206800000000, 0.0005437500000000 ] - [ 0.0011072500000000, 0.0005799900000000, 0.0004066800000000 ] - [ 0.0013258900000000, 0.0006947100000000, 0.0002124000000000 ] - [ 0.0015952300000000, 0.0009634900000000, 0.0003559100000000 ] - [ 0.0017874700000000, 0.0017024100000000, 0.0000468500000000 ] - [ 0.0015830100000000, -0.0002038100000000, 0.0007522200000000 ] - [ 0.0012987400000000, -0.0005330500000000, 0.0009520800000000 ] - [ 0.0014684300000000, 0.0014499000000000, 0.0001498700000000 ] - [ 0.0006155600000000, -0.0004466500000000, 0.0030063900000000 ] - [ 0.0006155600000000, 0.0004466500000000, 0.0030063900000000 ] - [ 0.0014684300000000, -0.0014499000000000, 0.0001498700000000 ] - [ 0.0012987400000000, 0.0005330500000000, 0.0009520800000000 ] - [ 0.0011072500000000, -0.0005799900000000, 0.0004066800000000 ] - [ 0.0013459400000000, -0.0008206800000000, 0.0005437500000000 ] - [ -0.0015909400000000, -0.0016581500000000, 0.0001202500000000 ] - [ 0.0058452100000000, 0.0092899700000000, 0.0127449800000000 ] - [ 0.0058452100000000, -0.0092899700000000, 0.0127449800000000 ] - [ -0.0015909400000000, 0.0016581500000000, 0.0001202500000000 ]- atom: 33 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0151818900000000, 0.0000000000000000, -0.0013707600000000 ] - [ -0.0003671000000000, 0.0000000000000000, -0.0004642500000000 ] - [ 0.0018876300000000, 0.0005647300000000, 0.0002578700000000 ] - [ 0.0018876300000000, -0.0005647300000000, 0.0002578700000000 ] - [ 0.0015543800000000, -0.0005888800000000, 0.0000192700000000 ] - [ 0.0015543800000000, 0.0005888800000000, 0.0000192700000000 ] - [ 0.0144368000000000, 0.0000000000000000, -0.0009911000000000 ] - [ 0.0000052200000000, 0.0000000000000000, -0.0001963000000000 ] - [ -0.0183953100000000, 0.0000000000000000, -0.0014194200000000 ] - [ -0.0046063300000000, 0.0000000000000000, -0.0013664600000000 ] - [ 0.0024347100000000, 0.0000000000000000, -0.0015615800000000 ] - [ 0.0015854100000000, 0.0000000000000000, -0.0002816300000000 ] - [ 0.0030243100000000, -0.0058571900000000, -0.0045647000000000 ] - [ 0.0030243100000000, 0.0058571900000000, -0.0045647000000000 ] - [ 0.0032645400000000, 0.0057666500000000, -0.0050327000000000 ] - [ 0.0032645400000000, -0.0057666500000000, -0.0050327000000000 ] - [ 0.0017682200000000, 0.0000000000000000, -0.0003297100000000 ] - [ 0.0011270600000000, 0.0000000000000000, -0.0005631200000000 ] - [ -0.0189110600000000, 0.0000000000000000, -0.0041792900000000 ] - [ -0.0044264600000000, 0.0000000000000000, -0.0013659700000000 ] - [ 0.0026194100000000, 0.0001828400000000, 0.0027968000000000 ] - [ 0.0026194100000000, -0.0001828400000000, 0.0027968000000000 ] - [ 0.0044638700000000, 0.0062349700000000, 0.0023478300000000 ] - [ 0.0044638700000000, -0.0062349700000000, 0.0023478300000000 ] - [ 0.0032585900000000, 0.0000000000000000, 0.0041943200000000 ] - [ 0.0027115100000000, 0.0000000000000000, 0.0019974500000000 ] - [ 0.0038909100000000, 0.0000000000000000, 0.0036207800000000 ] - [ 0.0031726000000000, 0.0000000000000000, 0.0013348900000000 ] - [ 0.0038053800000000, -0.0061440600000000, 0.0021864400000000 ] - [ 0.0038053800000000, 0.0061440600000000, 0.0021864400000000 ] - [ 0.0026718600000000, -0.0001114700000000, 0.0027439600000000 ] - [ 0.0026718600000000, 0.0001114700000000, 0.0027439600000000 ] - [ 0.0485257000000000, 0.0000000000000000, 0.0115581300000000 ] - [ 0.0004525400000000, 0.0000000000000000, 0.0011572400000000 ] - [ -0.0011683600000000, 0.0006830300000000, -0.0001873500000000 ] - [ -0.0007705900000000, 0.0002441600000000, -0.0002864000000000 ] - [ -0.0007705900000000, -0.0002441600000000, -0.0002864000000000 ] - [ -0.0011683600000000, -0.0006830300000000, -0.0001873500000000 ] - [ -0.0007599100000000, 0.0017789100000000, 0.0003222700000000 ] - [ -0.0007599100000000, -0.0017789100000000, 0.0003222700000000 ] - [ -0.0006479000000000, -0.0016706300000000, 0.0009710200000000 ] - [ -0.0006479000000000, 0.0016706300000000, 0.0009710200000000 ] - [ -0.0011010100000000, -0.0000294200000000, 0.0063797700000000 ] - [ -0.0011010100000000, 0.0000294200000000, 0.0063797700000000 ] - [ -0.0024471800000000, 0.0000000000000000, 0.0000208400000000 ] - [ 0.0001850800000000, 0.0000000000000000, 0.0004566400000000 ] - [ -0.0009624300000000, 0.0010067800000000, 0.0003234200000000 ] - [ -0.0008118500000000, -0.0004911000000000, 0.0009726400000000 ] - [ 0.0016067900000000, -0.0012895600000000, 0.0002341800000000 ] - [ -0.0056858700000000, 0.0093655500000000, 0.0118918700000000 ] - [ 0.0014406400000000, 0.0012224800000000, 0.0004237300000000 ] - [ -0.0053674700000000, -0.0095723100000000, 0.0126910800000000 ] - [ -0.0056858700000000, -0.0093655500000000, 0.0118918700000000 ] - [ 0.0016067900000000, 0.0012895600000000, 0.0002341800000000 ] - [ -0.0008118500000000, 0.0004911000000000, 0.0009726400000000 ] - [ -0.0009624300000000, -0.0010067800000000, 0.0003234200000000 ] - [ -0.0012587200000000, -0.0012405400000000, 0.0003927600000000 ] - [ -0.0009094700000000, 0.0003387100000000, 0.0008550500000000 ] - [ -0.0020570300000000, 0.0000000000000000, -0.0027713600000000 ] - [ 0.0003896300000000, 0.0000000000000000, 0.0008145000000000 ] - [ -0.0009094700000000, -0.0003387100000000, 0.0008550500000000 ] - [ -0.0012587200000000, 0.0012405400000000, 0.0003927600000000 ] - [ -0.0053674700000000, 0.0095723100000000, 0.0126910800000000 ] - [ 0.0014406400000000, -0.0012224800000000, 0.0004237300000000 ] - [ -0.0012668500000000, -0.0010370500000000, 0.0000604300000000 ] - [ -0.0007506300000000, -0.0004474800000000, 0.0000452700000000 ] - [ -0.0007506300000000, 0.0004474800000000, 0.0000452700000000 ] - [ -0.0012668500000000, 0.0010370500000000, 0.0000604300000000 ] - [ -0.0011984400000000, -0.0000101000000000, -0.0012933100000000 ] - [ -0.0011984400000000, 0.0000101000000000, -0.0012933100000000 ] - [ 0.0014986000000000, -0.0016429700000000, -0.0000796500000000 ] - [ -0.0067089000000000, 0.0095427600000000, -0.0124401400000000 ] - [ -0.0067089000000000, -0.0095427600000000, -0.0124401400000000 ] - [ 0.0014986000000000, 0.0016429700000000, -0.0000796500000000 ] - [ -0.0033203900000000, 0.0000000000000000, -0.0013411700000000 ] - [ -0.0005230900000000, 0.0000000000000000, -0.0004723300000000 ] - [ -0.0038302900000000, 0.0000000000000000, -0.0003470900000000 ] - [ -0.0003738100000000, 0.0000000000000000, 0.0001338000000000 ] - [ -0.0005588200000000, 0.0000000000000000, -0.0027511500000000 ] - [ -0.0004940800000000, 0.0000000000000000, -0.0014966200000000 ] - [ -0.0004320200000000, -0.0004712900000000, -0.0035271900000000 ] - [ -0.0004320200000000, 0.0004712900000000, -0.0035271900000000 ] - [ -0.0013223400000000, -0.0002650200000000, -0.0009457100000000 ] - [ -0.0015246500000000, 0.0016224200000000, -0.0002522500000000 ] - [ -0.0016890600000000, 0.0011806600000000, -0.0006121300000000 ] - [ -0.0014200300000000, 0.0009107900000000, -0.0004668300000000 ] - [ -0.0017576300000000, -0.0011927500000000, -0.0004061500000000 ] - [ -0.0015225900000000, -0.0009562500000000, -0.0002717500000000 ] - [ -0.0014200300000000, -0.0009107900000000, -0.0004668300000000 ] - [ -0.0016890600000000, -0.0011806600000000, -0.0006121300000000 ] - [ -0.0015246500000000, -0.0016224200000000, -0.0002522500000000 ] - [ -0.0013223400000000, 0.0002650200000000, -0.0009457100000000 ] - [ -0.0017351700000000, 0.0001041100000000, -0.0009984400000000 ] - [ -0.0019024100000000, -0.0018970500000000, -0.0001811200000000 ] - [ -0.0001986600000000, 0.0004453400000000, -0.0031416300000000 ] - [ -0.0001986600000000, -0.0004453400000000, -0.0031416300000000 ] - [ -0.0019024100000000, 0.0018970500000000, -0.0001811200000000 ] - [ -0.0017351700000000, -0.0001041100000000, -0.0009984400000000 ] - [ -0.0015225900000000, 0.0009562500000000, -0.0002717500000000 ] - [ -0.0017576300000000, 0.0011927500000000, -0.0004061500000000 ] - [ 0.0015028400000000, 0.0013968700000000, 0.0002524800000000 ] - [ -0.0058747600000000, -0.0095863000000000, -0.0124903300000000 ] - [ -0.0058747600000000, 0.0095863000000000, -0.0124903300000000 ] - [ 0.0015028400000000, -0.0013968700000000, 0.0002524800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001370500000000, 0.0051421600000000, -0.0001458400000000 ] - [ 0.0001507800000000, -0.0015307200000000, -0.0001595400000000 ] - [ -0.0000592900000000, 0.0000034700000000, 0.0000270100000000 ] - [ 0.0011096700000000, -0.0000123200000000, 0.0000940000000000 ] - [ 0.0007420900000000, 0.0000049600000000, -0.0001162800000000 ] - [ -0.0004452200000000, -0.0000052200000000, -0.0001846300000000 ] - [ 0.0005367700000000, 0.0056004300000000, 0.0000647300000000 ] - [ 0.0005314600000000, -0.0016188500000000, 0.0000676500000000 ] - [ -0.0001767000000000, 0.0120367600000000, 0.0001589600000000 ] - [ -0.0001857400000000, -0.0038727300000000, -0.0001754100000000 ] - [ 0.0003308900000000, 0.0021236700000000, 0.0001164200000000 ] - [ 0.0003304600000000, -0.0020497700000000, 0.0001724400000000 ] - [ 0.0046699600000000, -0.0051988300000000, 0.0004876400000000 ] - [ -0.0044577300000000, -0.0051988200000000, 0.0008058600000000 ] - [ -0.0038525700000000, -0.0047993100000000, -0.0001380200000000 ] - [ 0.0047441900000000, -0.0047994100000000, 0.0001584300000000 ] - [ -0.0000474700000000, 0.0020821700000000, -0.0000654200000000 ] - [ -0.0000498700000000, -0.0019716000000000, -0.0001209400000000 ] - [ -0.0000259300000000, 0.0124454900000000, -0.0005348400000000 ] - [ -0.0000045800000000, -0.0038447500000000, -0.0001859100000000 ] - [ -0.0001880500000000, -0.0000238000000000, -0.0013094600000000 ] - [ -0.0001750800000000, -0.0000356700000000, 0.0009449500000000 ] - [ -0.0039008400000000, -0.0040705200000000, -0.0013572000000000 ] - [ 0.0045349300000000, -0.0040645900000000, 0.0016821600000000 ] - [ 0.0000987200000000, 0.0016595400000000, 0.0006615500000000 ] - [ 0.0000918000000000, -0.0018120900000000, 0.0006531500000000 ] - [ 0.0004621500000000, 0.0017030200000000, 0.0000027700000000 ] - [ 0.0004587900000000, -0.0018751600000000, -0.0000000700000000 ] - [ 0.0044299600000000, -0.0043480700000000, 0.0014900500000000 ] - [ -0.0044966000000000, -0.0043380800000000, -0.0017153300000000 ] - [ 0.0000131000000000, -0.0000222900000000, 0.0010679500000000 ] - [ -0.0000270300000000, -0.0000359800000000, -0.0014234400000000 ] - [ -0.0004357900000000, -0.0528389200000000, 0.0002114800000000 ] - [ -0.0004523600000000, 0.0007645300000000, 0.0002005400000000 ] - [ 0.0001760100000000, -0.0005525000000000, -0.0001071700000000 ] - [ -0.0002951600000000, 0.0003368400000000, -0.0001712400000000 ] - [ 0.0002114100000000, 0.0005394600000000, -0.0000966400000000 ] - [ -0.0002391600000000, -0.0003287800000000, -0.0001525200000000 ] - [ -0.0010819700000000, 0.0004550000000000, -0.0006938600000000 ] - [ 0.0009579100000000, 0.0004596600000000, 0.0002905900000000 ] - [ 0.0010619900000000, 0.0004307600000000, 0.0008737400000000 ] - [ -0.0008725400000000, 0.0004334400000000, -0.0000731400000000 ] - [ -0.0002962500000000, 0.0007201400000000, 0.0003085900000000 ] - [ -0.0002413000000000, 0.0007190400000000, -0.0001172500000000 ] - [ -0.0000047500000000, 0.0026095400000000, -0.0003025300000000 ] - [ 0.0000023600000000, 0.0003468900000000, -0.0004342200000000 ] - [ -0.0012968300000000, 0.0013413500000000, -0.0001018100000000 ] - [ 0.0012676700000000, -0.0011142700000000, 0.0001007000000000 ] - [ -0.0011842000000000, 0.0021757000000000, 0.0000089900000000 ] - [ -0.0094179500000000, 0.0047431200000000, 0.0092037000000000 ] - [ 0.0009642000000000, 0.0019305200000000, -0.0000749500000000 ] - [ 0.0096248000000000, 0.0050086500000000, -0.0099615800000000 ] - [ 0.0093894400000000, 0.0045261500000000, -0.0095724900000000 ] - [ 0.0010890400000000, 0.0019656200000000, -0.0002799900000000 ] - [ -0.0010236900000000, -0.0010496000000000, -0.0003042400000000 ] - [ 0.0015505900000000, 0.0014229300000000, -0.0001025000000000 ] - [ 0.0011499600000000, 0.0011035600000000, 0.0000102200000000 ] - [ -0.0013394700000000, -0.0012690400000000, -0.0002309800000000 ] - [ 0.0002207100000000, 0.0026059600000000, -0.0001847500000000 ] - [ 0.0002106900000000, 0.0003428200000000, -0.0000602200000000 ] - [ 0.0009298000000000, -0.0008382000000000, 0.0001988400000000 ] - [ -0.0015725100000000, 0.0015501200000000, -0.0000405900000000 ] - [ -0.0100975800000000, 0.0053752100000000, 0.0102098800000000 ] - [ -0.0013746100000000, 0.0023164300000000, 0.0002319800000000 ] - [ -0.0002606000000000, -0.0005900200000000, 0.0001423800000000 ] - [ 0.0001950800000000, 0.0003024000000000, 0.0002280400000000 ] - [ -0.0002843600000000, 0.0005578600000000, 0.0001351100000000 ] - [ 0.0001528300000000, -0.0003087500000000, 0.0002193700000000 ] - [ -0.0004648500000000, 0.0000105800000000, 0.0001660200000000 ] - [ -0.0004458200000000, 0.0000129700000000, 0.0002316300000000 ] - [ -0.0007099600000000, 0.0013674300000000, -0.0000459200000000 ] - [ -0.0090603900000000, 0.0036985500000000, -0.0104280400000000 ] - [ 0.0090463400000000, 0.0038849500000000, 0.0102659900000000 ] - [ 0.0006351700000000, 0.0015744200000000, -0.0002210100000000 ] - [ -0.0000579700000000, -0.0003671700000000, -0.0002144700000000 ] - [ -0.0000616000000000, 0.0005042000000000, -0.0002018900000000 ] - [ 0.0000922500000000, -0.0003654200000000, 0.0004177500000000 ] - [ 0.0000940800000000, 0.0005241700000000, 0.0004002000000000 ] - [ -0.0002682200000000, -0.0001667300000000, 0.0000932200000000 ] - [ -0.0002685700000000, 0.0002090700000000, 0.0000965800000000 ] - [ 0.0002102100000000, 0.0003646000000000, 0.0013105900000000 ] - [ -0.0002090200000000, 0.0003643000000000, -0.0021620200000000 ] - [ 0.0011276800000000, -0.0008262100000000, -0.0003144000000000 ] - [ -0.0011172600000000, 0.0012403300000000, -0.0000824500000000 ] - [ 0.0001156700000000, -0.0002986200000000, -0.0001768600000000 ] - [ -0.0003587100000000, 0.0006220100000000, -0.0001036500000000 ] - [ -0.0003807200000000, -0.0006015700000000, 0.0001054300000000 ] - [ 0.0001129300000000, 0.0003300700000000, 0.0000619200000000 ] - [ 0.0002583000000000, 0.0004085400000000, -0.0001637100000000 ] - [ -0.0002151200000000, -0.0005070700000000, -0.0000927300000000 ] - [ 0.0013854400000000, 0.0013262500000000, -0.0001250300000000 ] - [ -0.0008559200000000, -0.0007346100000000, 0.0001016600000000 ] - [ -0.0012388400000000, -0.0010595600000000, 0.0002099000000000 ] - [ 0.0011263700000000, 0.0011307100000000, -0.0000432600000000 ] - [ -0.0000162700000000, 0.0003897200000000, -0.0019374100000000 ] - [ 0.0004378100000000, 0.0003887400000000, 0.0017999800000000 ] - [ -0.0015691400000000, 0.0015852700000000, 0.0000144700000000 ] - [ 0.0008047300000000, -0.0006081000000000, -0.0002321100000000 ] - [ -0.0005197800000000, 0.0007076200000000, 0.0000860700000000 ] - [ -0.0000327600000000, -0.0002176300000000, 0.0000443500000000 ] - [ 0.0006814000000000, 0.0014141200000000, 0.0001055500000000 ] - [ 0.0093670800000000, 0.0041507800000000, 0.0110095100000000 ] - [ -0.0095338700000000, 0.0043988400000000, -0.0107645200000000 ] - [ -0.0007741600000000, 0.0016777300000000, 0.0002538100000000 ]- atom: 33 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0099494900000000, 0.0000000000000000, 0.0125356700000000 ] - [ 0.0004502500000000, 0.0000000000000000, 0.0024520300000000 ] - [ 0.0006070700000000, -0.0008472700000000, 0.0001124200000000 ] - [ 0.0006070700000000, 0.0008472700000000, 0.0001124200000000 ] - [ 0.0003087500000000, 0.0008562800000000, -0.0001072000000000 ] - [ 0.0003087500000000, -0.0008562800000000, -0.0001072000000000 ] - [ 0.0085763800000000, 0.0000000000000000, 0.0133022000000000 ] - [ 0.0008046800000000, 0.0000000000000000, 0.0027259500000000 ] - [ -0.0038397400000000, 0.0000000000000000, 0.0204902700000000 ] - [ 0.0004601200000000, 0.0000000000000000, 0.0012546500000000 ] - [ 0.0048308800000000, 0.0000000000000000, -0.0218421800000000 ] - [ 0.0033444200000000, 0.0000000000000000, -0.0007714200000000 ] - [ 0.0178101400000000, -0.0145292300000000, -0.0038568300000000 ] - [ 0.0178101400000000, 0.0145292300000000, -0.0038568300000000 ] - [ 0.0182086900000000, 0.0143189900000000, -0.0043906100000000 ] - [ 0.0182086900000000, -0.0143189900000000, -0.0043906100000000 ] - [ 0.0041997600000000, 0.0000000000000000, -0.0216798800000000 ] - [ 0.0028732300000000, 0.0000000000000000, -0.0010944400000000 ] - [ -0.0000345800000000, 0.0000000000000000, 0.0312427200000000 ] - [ 0.0005106500000000, 0.0000000000000000, 0.0012631200000000 ] - [ -0.0033974200000000, -0.0020964200000000, -0.0045985300000000 ] - [ -0.0033974200000000, 0.0020964200000000, -0.0045985300000000 ] - [ -0.0110235300000000, -0.0106734200000000, 0.0017167000000000 ] - [ -0.0110235300000000, 0.0106734200000000, 0.0017167000000000 ] - [ -0.0033487800000000, 0.0000000000000000, -0.0012091300000000 ] - [ -0.0031598600000000, 0.0000000000000000, 0.0003823400000000 ] - [ -0.0030118100000000, 0.0000000000000000, -0.0018512900000000 ] - [ -0.0028647800000000, 0.0000000000000000, -0.0002179300000000 ] - [ -0.0114701100000000, 0.0107120900000000, 0.0014336600000000 ] - [ -0.0114701100000000, -0.0107120900000000, 0.0014336600000000 ] - [ -0.0031426100000000, 0.0020437700000000, -0.0046404800000000 ] - [ -0.0031426100000000, -0.0020437700000000, -0.0046404800000000 ] - [ 0.0175404800000000, 0.0000000000000000, -0.2095716300000000 ] - [ -0.0007267600000000, 0.0000000000000000, -0.0031666600000000 ] - [ 0.0020818700000000, -0.0029105300000000, 0.0011963200000000 ] - [ -0.0007091500000000, 0.0006893100000000, 0.0000359900000000 ] - [ -0.0007091500000000, -0.0006893100000000, 0.0000359900000000 ] - [ 0.0020818700000000, 0.0029105300000000, 0.0011963200000000 ] - [ -0.0011691300000000, 0.0004213800000000, -0.0053402100000000 ] - [ -0.0011691300000000, -0.0004213800000000, -0.0053402100000000 ] - [ -0.0009466800000000, -0.0003501600000000, -0.0046794700000000 ] - [ -0.0009466800000000, 0.0003501600000000, -0.0046794700000000 ] - [ -0.0031324100000000, -0.0000750600000000, 0.0113347200000000 ] - [ -0.0031324100000000, 0.0000750600000000, 0.0113347200000000 ] - [ -0.0044579800000000, 0.0000000000000000, 0.0486827300000000 ] - [ -0.0002032400000000, 0.0000000000000000, 0.0012340600000000 ] - [ -0.0032692000000000, 0.0020833200000000, -0.0006273500000000 ] - [ -0.0054998400000000, 0.0034829700000000, 0.0012873300000000 ] - [ 0.0000066900000000, -0.0012957700000000, -0.0004722900000000 ] - [ -0.0298997400000000, 0.0271076400000000, 0.0161949000000000 ] - [ -0.0000151500000000, 0.0013013100000000, -0.0002645600000000 ] - [ -0.0300716800000000, -0.0278961900000000, 0.0174426700000000 ] - [ -0.0298997400000000, -0.0271076400000000, 0.0161949000000000 ] - [ 0.0000066900000000, 0.0012957700000000, -0.0004722900000000 ] - [ -0.0054998400000000, -0.0034829700000000, 0.0012873300000000 ] - [ -0.0032692000000000, -0.0020833200000000, -0.0006273500000000 ] - [ -0.0035708100000000, -0.0023244600000000, -0.0005937100000000 ] - [ -0.0058407900000000, -0.0036624700000000, 0.0011985600000000 ] - [ -0.0054410800000000, 0.0000000000000000, 0.0479388900000000 ] - [ 0.0000293800000000, 0.0000000000000000, 0.0015847600000000 ] - [ -0.0058407900000000, 0.0036624700000000, 0.0011985600000000 ] - [ -0.0035708100000000, 0.0023244600000000, -0.0005937100000000 ] - [ -0.0300716800000000, 0.0278961900000000, 0.0174426700000000 ] - [ -0.0000151500000000, -0.0013013100000000, -0.0002645600000000 ] - [ 0.0021393100000000, 0.0027878800000000, 0.0015284700000000 ] - [ -0.0006826800000000, -0.0009153900000000, 0.0003614500000000 ] - [ -0.0006826800000000, 0.0009153900000000, 0.0003614500000000 ] - [ 0.0021393100000000, -0.0027878800000000, 0.0015284700000000 ] - [ 0.0003522100000000, 0.0000225500000000, 0.0028700000000000 ] - [ 0.0003522100000000, -0.0000225500000000, 0.0028700000000000 ] - [ -0.0005188900000000, 0.0017039300000000, -0.0008327400000000 ] - [ 0.0222377700000000, -0.0167504800000000, 0.0019244400000000 ] - [ 0.0222377700000000, 0.0167504800000000, 0.0019244400000000 ] - [ -0.0005188900000000, -0.0017039300000000, -0.0008327400000000 ] - [ -0.0020865900000000, 0.0000000000000000, 0.0034718900000000 ] - [ 0.0000914800000000, 0.0000000000000000, -0.0009826900000000 ] - [ -0.0021579600000000, 0.0000000000000000, 0.0043794000000000 ] - [ 0.0002259300000000, 0.0000000000000000, -0.0004086800000000 ] - [ -0.0001517800000000, 0.0000000000000000, 0.0020695900000000 ] - [ 0.0000584600000000, 0.0000000000000000, 0.0009504500000000 ] - [ 0.0007828300000000, 0.0009189700000000, 0.0030643900000000 ] - [ 0.0007828300000000, -0.0009189700000000, 0.0030643900000000 ] - [ 0.0024892300000000, -0.0009771700000000, -0.0013153800000000 ] - [ 0.0027689500000000, -0.0022243200000000, -0.0013691300000000 ] - [ 0.0015487200000000, -0.0007357600000000, 0.0001851900000000 ] - [ 0.0015339100000000, -0.0009549300000000, 0.0001473700000000 ] - [ 0.0013623900000000, 0.0006529500000000, 0.0003889900000000 ] - [ 0.0013304700000000, 0.0008484400000000, 0.0003453600000000 ] - [ 0.0015339100000000, 0.0009549300000000, 0.0001473700000000 ] - [ 0.0015487200000000, 0.0007357600000000, 0.0001851900000000 ] - [ 0.0027689500000000, 0.0022243200000000, -0.0013691300000000 ] - [ 0.0024892300000000, 0.0009771700000000, -0.0013153800000000 ] - [ 0.0021262900000000, 0.0007805200000000, -0.0012745400000000 ] - [ 0.0024838100000000, 0.0019541600000000, -0.0012908100000000 ] - [ 0.0009522300000000, -0.0008975900000000, 0.0035116200000000 ] - [ 0.0009522300000000, 0.0008975900000000, 0.0035116200000000 ] - [ 0.0024838100000000, -0.0019541600000000, -0.0012908100000000 ] - [ 0.0021262900000000, -0.0007805200000000, -0.0012745400000000 ] - [ 0.0013304700000000, -0.0008484400000000, 0.0003453600000000 ] - [ 0.0013623900000000, -0.0006529500000000, 0.0003889900000000 ] - [ -0.0006021800000000, -0.0020205200000000, -0.0005416000000000 ] - [ 0.0226003700000000, 0.0167776600000000, 0.0033324900000000 ] - [ 0.0226003700000000, -0.0167776600000000, 0.0033324900000000 ] - [ -0.0006021800000000, 0.0020205200000000, -0.0005416000000000 ]- atom: 33 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0092503300000000, 0.0000000000000000, -0.0129266700000000 ] - [ -0.0001219800000000, 0.0000000000000000, -0.0027935600000000 ] - [ 0.0004303200000000, 0.0008576300000000, -0.0000032200000000 ] - [ 0.0004303200000000, -0.0008576300000000, -0.0000032200000000 ] - [ -0.0000022000000000, -0.0008518300000000, -0.0001780500000000 ] - [ -0.0000022000000000, 0.0008518300000000, -0.0001780500000000 ] - [ -0.0080056400000000, 0.0000000000000000, -0.0131048400000000 ] - [ 0.0002320400000000, 0.0000000000000000, -0.0025816900000000 ] - [ 0.0028977900000000, 0.0000000000000000, -0.0251090100000000 ] - [ -0.0008063800000000, 0.0000000000000000, -0.0016118900000000 ] - [ -0.0041728400000000, 0.0000000000000000, 0.0223157700000000 ] - [ -0.0026639900000000, 0.0000000000000000, 0.0010877700000000 ] - [ -0.0176141800000000, 0.0144798500000000, 0.0051730800000000 ] - [ -0.0176141800000000, -0.0144798500000000, 0.0051730800000000 ] - [ -0.0173299700000000, -0.0143965500000000, 0.0044022200000000 ] - [ -0.0173299700000000, 0.0143965500000000, 0.0044022200000000 ] - [ -0.0043005200000000, 0.0000000000000000, 0.0213501900000000 ] - [ -0.0029940700000000, 0.0000000000000000, 0.0008718400000000 ] - [ 0.0008142900000000, 0.0000000000000000, -0.0271222200000000 ] - [ -0.0005471600000000, 0.0000000000000000, -0.0016231700000000 ] - [ 0.0029959900000000, 0.0020925100000000, 0.0042726600000000 ] - [ 0.0029959900000000, -0.0020925100000000, 0.0042726600000000 ] - [ 0.0117407000000000, 0.0107289000000000, -0.0013947400000000 ] - [ 0.0117407000000000, -0.0107289000000000, -0.0013947400000000 ] - [ 0.0035551200000000, 0.0000000000000000, 0.0025057400000000 ] - [ 0.0033529600000000, 0.0000000000000000, 0.0009034300000000 ] - [ 0.0039283100000000, 0.0000000000000000, 0.0018784000000000 ] - [ 0.0037838900000000, 0.0000000000000000, 0.0002459400000000 ] - [ 0.0113403700000000, -0.0106724000000000, -0.0016606400000000 ] - [ 0.0113403700000000, 0.0106724000000000, -0.0016606400000000 ] - [ 0.0031659500000000, -0.0020577000000000, 0.0042517000000000 ] - [ 0.0031659500000000, 0.0020577000000000, 0.0042517000000000 ] - [ -0.0185935600000000, 0.0000000000000000, 0.2098657900000000 ] - [ -0.0001812900000000, 0.0000000000000000, 0.0035729300000000 ] - [ -0.0021848700000000, 0.0027335300000000, -0.0014796700000000 ] - [ 0.0006245600000000, -0.0008911200000000, -0.0003137600000000 ] - [ 0.0006245600000000, 0.0008911200000000, -0.0003137600000000 ] - [ -0.0021848700000000, -0.0027335300000000, -0.0014796700000000 ] - [ 0.0010658000000000, -0.0004286400000000, 0.0049083000000000 ] - [ 0.0010658000000000, 0.0004286400000000, 0.0049083000000000 ] - [ 0.0011198100000000, 0.0003441300000000, 0.0055234800000000 ] - [ 0.0011198100000000, -0.0003441300000000, 0.0055234800000000 ] - [ 0.0025987400000000, 0.0000786500000000, -0.0111588200000000 ] - [ 0.0025987400000000, -0.0000786500000000, -0.0111588200000000 ] - [ 0.0045916400000000, 0.0000000000000000, -0.0500259900000000 ] - [ 0.0002085800000000, 0.0000000000000000, -0.0020872400000000 ] - [ 0.0035083900000000, -0.0021394000000000, 0.0004180200000000 ] - [ 0.0057816500000000, -0.0035688900000000, -0.0015097800000000 ] - [ -0.0001142600000000, 0.0015232500000000, 0.0002214700000000 ] - [ 0.0301218400000000, -0.0272372400000000, -0.0166355900000000 ] - [ -0.0003842400000000, -0.0016664000000000, 0.0003962400000000 ] - [ 0.0294071100000000, 0.0272188500000000, -0.0171281300000000 ] - [ 0.0301218400000000, 0.0272372400000000, -0.0166355900000000 ] - [ -0.0001142600000000, -0.0015232500000000, 0.0002214700000000 ] - [ 0.0057816500000000, 0.0035688900000000, -0.0015097800000000 ] - [ 0.0035083900000000, 0.0021394000000000, 0.0004180200000000 ] - [ 0.0031685000000000, 0.0019055700000000, 0.0005689800000000 ] - [ 0.0053992500000000, 0.0032163600000000, -0.0012153100000000 ] - [ 0.0057226100000000, 0.0000000000000000, -0.0476833700000000 ] - [ 0.0003911000000000, 0.0000000000000000, -0.0017208900000000 ] - [ 0.0053992500000000, -0.0032163600000000, -0.0012153100000000 ] - [ 0.0031685000000000, -0.0019055700000000, 0.0005689800000000 ] - [ 0.0294071100000000, -0.0272188500000000, -0.0171281300000000 ] - [ -0.0003842400000000, 0.0016664000000000, 0.0003962400000000 ] - [ -0.0022092400000000, -0.0030279100000000, -0.0011509600000000 ] - [ 0.0005993400000000, 0.0006593400000000, 0.0000120600000000 ] - [ 0.0005993400000000, -0.0006593400000000, 0.0000120600000000 ] - [ -0.0022092400000000, 0.0030279100000000, -0.0011509600000000 ] - [ -0.0012620200000000, -0.0000208300000000, -0.0024660300000000 ] - [ -0.0012620200000000, 0.0000208300000000, -0.0024660300000000 ] - [ 0.0004472800000000, -0.0019237900000000, 0.0005540500000000 ] - [ -0.0223160500000000, 0.0165680600000000, -0.0024256500000000 ] - [ -0.0223160500000000, -0.0165680600000000, -0.0024256500000000 ] - [ 0.0004472800000000, 0.0019237900000000, 0.0005540500000000 ] - [ 0.0019466400000000, 0.0000000000000000, -0.0038496800000000 ] - [ -0.0002047900000000, 0.0000000000000000, 0.0005910800000000 ] - [ 0.0023688900000000, 0.0000000000000000, -0.0036055300000000 ] - [ -0.0000458900000000, 0.0000000000000000, 0.0011999700000000 ] - [ -0.0003840900000000, 0.0000000000000000, -0.0018834300000000 ] - [ -0.0005959400000000, 0.0000000000000000, -0.0007617000000000 ] - [ -0.0007786800000000, -0.0009239500000000, -0.0039531400000000 ] - [ -0.0007786800000000, 0.0009239500000000, -0.0039531400000000 ] - [ -0.0022431100000000, 0.0009024100000000, 0.0011105900000000 ] - [ -0.0025191600000000, 0.0021605300000000, 0.0011675800000000 ] - [ -0.0016302800000000, 0.0009425300000000, -0.0004448500000000 ] - [ -0.0016211400000000, 0.0011656700000000, -0.0004072300000000 ] - [ -0.0017866800000000, -0.0010367300000000, -0.0002471200000000 ] - [ -0.0017518100000000, -0.0012298000000000, -0.0002045500000000 ] - [ -0.0016211400000000, -0.0011656700000000, -0.0004072300000000 ] - [ -0.0016302800000000, -0.0009425300000000, -0.0004448500000000 ] - [ -0.0025191600000000, -0.0021605300000000, 0.0011675800000000 ] - [ -0.0022431100000000, -0.0009024100000000, 0.0011105900000000 ] - [ -0.0025477000000000, -0.0012262400000000, 0.0012464800000000 ] - [ -0.0029120700000000, -0.0023911500000000, 0.0012580200000000 ] - [ -0.0005348400000000, 0.0008941600000000, -0.0036170000000000 ] - [ -0.0005348400000000, -0.0008941600000000, -0.0036170000000000 ] - [ -0.0029120700000000, 0.0023911500000000, 0.0012580200000000 ] - [ -0.0025477000000000, 0.0012262400000000, 0.0012464800000000 ] - [ -0.0017518100000000, 0.0012298000000000, -0.0002045500000000 ] - [ -0.0017866800000000, 0.0010367300000000, -0.0002471200000000 ] - [ 0.0005050500000000, 0.0017481400000000, 0.0009142300000000 ] - [ -0.0227408600000000, -0.0170476100000000, -0.0027538800000000 ] - [ -0.0227408600000000, 0.0170476100000000, -0.0027538800000000 ] - [ 0.0005050500000000, -0.0017481400000000, 0.0009142300000000 ]- atom: 35 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0027093500000000, -0.0005612500000000, -0.0017766500000000 ] - [ -0.0018442000000000, 0.0004293200000000, -0.0012783500000000 ] - [ -0.0058849400000000, -0.0003818900000000, -0.0044636800000000 ] - [ 0.0002089300000000, 0.0002236600000000, -0.0012971800000000 ] - [ 0.0095510500000000, -0.0103131300000000, 0.0066739200000000 ] - [ 0.0027888700000000, 0.0051541800000000, 0.0034565100000000 ] - [ -0.0043091200000000, 0.0002850500000000, 0.0061643800000000 ] - [ 0.0010053500000000, 0.0006885600000000, 0.0014395500000000 ] - [ 0.0007639300000000, -0.0023127200000000, -0.0178637100000000 ] - [ 0.0000631200000000, 0.0018995800000000, 0.0010896300000000 ] - [ 0.0258661700000000, -0.0128287300000000, 0.0161766900000000 ] - [ 0.0135367500000000, 0.0103982400000000, 0.0010539000000000 ] - [ -0.0122825800000000, -0.0161980500000000, -0.0003489000000000 ] - [ -0.0083792800000000, 0.0118454200000000, -0.0007249400000000 ] - [ -0.0032737000000000, -0.0023117500000000, -0.0051941900000000 ] - [ -0.0033074300000000, 0.0028463800000000, -0.0040473600000000 ] - [ -0.0030704500000000, -0.0026766300000000, -0.0041127300000000 ] - [ -0.0036086200000000, 0.0037013600000000, -0.0038482200000000 ] - [ -0.0083241300000000, 0.0002490300000000, -0.0039276200000000 ] - [ -0.0061434300000000, 0.0006456300000000, -0.0017932500000000 ] - [ 0.0027936700000000, -0.0016194200000000, -0.0190351500000000 ] - [ 0.0016073300000000, 0.0013517400000000, 0.0012548800000000 ] - [ -0.0061439100000000, -0.0007141500000000, -0.0024067900000000 ] - [ -0.0041925000000000, 0.0009382400000000, -0.0003383300000000 ] - [ -0.0103697200000000, -0.0162529600000000, 0.0036352000000000 ] - [ -0.0097716200000000, 0.0136547400000000, 0.0017508100000000 ] - [ 0.0048726200000000, -0.0038983800000000, 0.0156505900000000 ] - [ 0.0028282500000000, 0.0032733700000000, 0.0045320700000000 ] - [ 0.0012708100000000, -0.0036335500000000, 0.0220477100000000 ] - [ 0.0008896300000000, 0.0041337900000000, 0.0030240300000000 ] - [ 0.0342033000000000, -0.0229510100000000, -0.0116597600000000 ] - [ 0.0136719000000000, 0.0080931900000000, 0.0017556600000000 ] - [ 0.0006904900000000, 0.0002055300000000, 0.0036056100000000 ] - [ 0.0002743900000000, -0.0002520200000000, -0.0001071300000000 ] - [ -0.1520224100000000, 0.1118739200000000, -0.0073626000000000 ] - [ -0.0001690100000000, -0.0042793300000000, -0.0001020100000000 ] - [ -0.0213635200000000, -0.0168389500000000, 0.0018778800000000 ] - [ -0.0143534700000000, -0.0143162600000000, -0.0018698700000000 ] - [ 0.0014485000000000, 0.0023820300000000, -0.0051834400000000 ] - [ 0.0009320400000000, -0.0028692300000000, -0.0030284300000000 ] - [ 0.0019108500000000, 0.0002960100000000, 0.0027128000000000 ] - [ 0.0012702000000000, -0.0004300500000000, 0.0021286100000000 ] - [ 0.0003940100000000, 0.0009248500000000, 0.0043319900000000 ] - [ 0.0002736500000000, -0.0008659100000000, 0.0040422300000000 ] - [ 0.0001934300000000, -0.0038331900000000, 0.0266539000000000 ] - [ -0.0005884400000000, -0.0006012300000000, -0.0019527200000000 ] - [ -0.0044643100000000, 0.0050092500000000, 0.0006787800000000 ] - [ 0.0229658600000000, -0.0207499000000000, -0.0091443200000000 ] - [ 0.0003333400000000, 0.0003466700000000, 0.0003464200000000 ] - [ 0.0032162600000000, -0.0022458900000000, 0.0013748000000000 ] - [ 0.0029512700000000, 0.0036482600000000, -0.0006764500000000 ] - [ 0.0029615400000000, 0.0000019800000000, 0.0007180700000000 ] - [ 0.0027753600000000, 0.0020743200000000, 0.0011637000000000 ] - [ -0.0000196400000000, -0.0008319300000000, 0.0002066000000000 ] - [ 0.0390191500000000, 0.0095380700000000, -0.0057881700000000 ] - [ -0.0025622000000000, -0.0040834400000000, 0.0005814100000000 ] - [ 0.0017630400000000, 0.0003646100000000, 0.0011275000000000 ] - [ 0.0015101000000000, 0.0008352900000000, 0.0007557600000000 ] - [ 0.0007413900000000, 0.0001665800000000, 0.0034847100000000 ] - [ 0.0007520000000000, -0.0002987800000000, 0.0028270400000000 ] - [ 0.0015659400000000, 0.0001552600000000, 0.0011496300000000 ] - [ 0.0018990600000000, -0.0016179400000000, 0.0007966600000000 ] - [ 0.0057357500000000, -0.0007075400000000, 0.0005345500000000 ] - [ 0.0031749000000000, -0.0037771100000000, -0.0007461300000000 ] - [ 0.0025670200000000, 0.0026278100000000, 0.0020442500000000 ] - [ -0.0008565800000000, -0.0011890400000000, 0.0003279100000000 ] - [ 0.0037791800000000, -0.0033799000000000, 0.0034690200000000 ] - [ -0.0003618700000000, 0.0005003400000000, 0.0004655600000000 ] - [ 0.0062985000000000, -0.0090164900000000, 0.0320301500000000 ] - [ -0.0019956400000000, -0.0006702200000000, -0.0014608000000000 ] - [ 0.0027752500000000, -0.0018676200000000, 0.0001266800000000 ] - [ 0.0027792300000000, -0.0017399500000000, 0.0002402500000000 ] - [ 0.0040763500000000, 0.0027726900000000, 0.0004134900000000 ] - [ 0.0016599100000000, 0.0009551800000000, -0.0000440100000000 ] - [ 0.0014605400000000, 0.0012561100000000, 0.0020177600000000 ] - [ 0.0016240700000000, -0.0015713500000000, 0.0023823500000000 ] - [ 0.0048671800000000, -0.0074999200000000, -0.0194402700000000 ] - [ -0.0014409600000000, -0.0006290700000000, -0.0004183400000000 ] - [ 0.0006588600000000, 0.0008501600000000, -0.0074221100000000 ] - [ 0.0003970600000000, -0.0008071100000000, -0.0047752200000000 ] - [ -0.0000139300000000, 0.0000821200000000, 0.0035741800000000 ] - [ 0.0001556800000000, -0.0001633800000000, -0.0011269700000000 ] - [ 0.0044097400000000, -0.0005462900000000, 0.0002693200000000 ] - [ 0.0037494100000000, -0.0027824900000000, 0.0006383000000000 ] - [ -0.0066613800000000, 0.0050830700000000, -0.0002781300000000 ] - [ -0.0001672400000000, -0.0012479700000000, -0.0010525600000000 ] - [ 0.0262752400000000, 0.0124694300000000, 0.0002608700000000 ] - [ -0.0044941600000000, -0.0051674900000000, 0.0001871100000000 ] - [ -0.0034923400000000, -0.0015859000000000, -0.0000858600000000 ] - [ -0.0017026700000000, -0.0007975000000000, -0.0015541200000000 ] - [ 0.0037086500000000, 0.0008696800000000, 0.0001203100000000 ] - [ 0.0028351100000000, 0.0022774600000000, 0.0003322200000000 ] - [ 0.0012626800000000, 0.0021851000000000, -0.0036909600000000 ] - [ -0.0021071800000000, -0.0025409200000000, -0.0007173600000000 ] - [ 0.0030954600000000, -0.0038029400000000, -0.0309397900000000 ] - [ -0.0005715100000000, -0.0005885600000000, -0.0017839900000000 ] - [ 0.0013108600000000, 0.0003890200000000, -0.0038169100000000 ] - [ 0.0000014100000000, -0.0010454300000000, -0.0032421000000000 ] - [ 0.0292589300000000, -0.0219225200000000, 0.0036831500000000 ] - [ -0.0044093400000000, 0.0047293500000000, 0.0003187700000000 ] - [ -0.0012522000000000, -0.0014537900000000, -0.0011142100000000 ] - [ -0.0012346800000000, -0.0017067500000000, 0.0002055100000000 ] - [ -0.0049146300000000, 0.0058734200000000, -0.0006651000000000 ] - [ 0.0011537500000000, -0.0015801600000000, -0.0002044600000000 ]- atom: 35 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0030114100000000, 0.0005653700000000, 0.0014851100000000 ] - [ 0.0021532600000000, -0.0004361400000000, 0.0009563700000000 ] - [ 0.0069218400000000, 0.0003952300000000, 0.0046085400000000 ] - [ 0.0008404800000000, -0.0002356600000000, 0.0014173200000000 ] - [ -0.0089825000000000, 0.0105255500000000, -0.0072634400000000 ] - [ -0.0024779000000000, -0.0051728900000000, -0.0037725300000000 ] - [ 0.0053711600000000, -0.0002678700000000, -0.0059862700000000 ] - [ 0.0000679600000000, -0.0006979600000000, -0.0012995100000000 ] - [ -0.0011127400000000, 0.0023083400000000, 0.0175229200000000 ] - [ -0.0004266500000000, -0.0019042700000000, -0.0014058100000000 ] - [ -0.0236254100000000, 0.0101975800000000, -0.0153111700000000 ] - [ -0.0128124000000000, -0.0103720800000000, -0.0007318100000000 ] - [ 0.0123563500000000, 0.0160615000000000, 0.0016459100000000 ] - [ 0.0085757400000000, -0.0118200400000000, 0.0020340500000000 ] - [ 0.0042033100000000, 0.0023095200000000, 0.0052120700000000 ] - [ 0.0042409100000000, -0.0028455600000000, 0.0040727100000000 ] - [ 0.0029594000000000, 0.0026815400000000, 0.0038903500000000 ] - [ 0.0035048000000000, -0.0037036700000000, 0.0036289100000000 ] - [ 0.0082876800000000, -0.0002258300000000, 0.0035530200000000 ] - [ 0.0061320200000000, -0.0006565500000000, 0.0014232500000000 ] - [ -0.0031957000000000, 0.0016310100000000, 0.0186805100000000 ] - [ -0.0020044100000000, -0.0013586900000000, -0.0016293700000000 ] - [ 0.0068140600000000, 0.0007028000000000, 0.0027124500000000 ] - [ 0.0048517700000000, -0.0009309400000000, 0.0006524100000000 ] - [ 0.0105611800000000, 0.0163566600000000, -0.0023561400000000 ] - [ 0.0099796400000000, -0.0137066000000000, -0.0004660700000000 ] - [ -0.0039364600000000, 0.0038940400000000, -0.0156818200000000 ] - [ -0.0019103000000000, -0.0032710000000000, -0.0045381300000000 ] - [ -0.0013623400000000, 0.0036354700000000, -0.0222566800000000 ] - [ -0.0009771400000000, -0.0041377500000000, -0.0032291400000000 ] - [ -0.0367207000000000, 0.0261229500000000, 0.0118077000000000 ] - [ -0.0137736900000000, -0.0081412000000000, -0.0021287800000000 ] - [ -0.0016026700000000, -0.0002073700000000, -0.0032058500000000 ] - [ -0.0011844700000000, 0.0002546600000000, 0.0004978800000000 ] - [ 0.1522367300000000, -0.1128359600000000, 0.0064695300000000 ] - [ 0.0001000800000000, 0.0040781700000000, -0.0001772300000000 ] - [ 0.0214172000000000, 0.0168605600000000, -0.0021653000000000 ] - [ 0.0142317800000000, 0.0146220400000000, 0.0015843900000000 ] - [ -0.0015807600000000, -0.0023709400000000, 0.0047629700000000 ] - [ -0.0010543400000000, 0.0028682400000000, 0.0026218100000000 ] - [ -0.0017302800000000, -0.0002949500000000, -0.0019142600000000 ] - [ -0.0010880200000000, 0.0004299900000000, -0.0013335800000000 ] - [ -0.0009352000000000, -0.0009220000000000, -0.0041275600000000 ] - [ -0.0008110200000000, 0.0008647700000000, -0.0038458700000000 ] - [ -0.0002610000000000, 0.0038662500000000, -0.0273762100000000 ] - [ 0.0005947100000000, 0.0005981800000000, 0.0010689500000000 ] - [ 0.0046970100000000, -0.0050495500000000, -0.0008858600000000 ] - [ -0.0225511200000000, 0.0206470700000000, 0.0088618600000000 ] - [ -0.0004299800000000, -0.0001322600000000, -0.0006069600000000 ] - [ -0.0033020200000000, 0.0024548400000000, -0.0016372400000000 ] - [ -0.0033423600000000, -0.0040000600000000, 0.0008025500000000 ] - [ -0.0033804200000000, -0.0003939200000000, -0.0005807900000000 ] - [ -0.0028703300000000, -0.0022887100000000, -0.0014235500000000 ] - [ -0.0000696600000000, 0.0006210100000000, -0.0004682300000000 ] - [ -0.0380954100000000, -0.0093148800000000, 0.0055275900000000 ] - [ 0.0028106300000000, 0.0041508900000000, -0.0007886200000000 ] - [ -0.0021922500000000, -0.0008024200000000, -0.0011559700000000 ] - [ -0.0019411100000000, -0.0012811700000000, -0.0007863000000000 ] - [ -0.0003222300000000, -0.0001675800000000, -0.0036042100000000 ] - [ -0.0003342800000000, 0.0003003700000000, -0.0029475400000000 ] - [ -0.0019946400000000, 0.0002842800000000, -0.0011812600000000 ] - [ -0.0023289600000000, 0.0020621300000000, -0.0008280900000000 ] - [ -0.0060855800000000, 0.0010719400000000, -0.0004016900000000 ] - [ -0.0035935100000000, 0.0041588400000000, 0.0008782500000000 ] - [ -0.0026495600000000, -0.0028849200000000, -0.0016703400000000 ] - [ 0.0007722700000000, 0.0009329000000000, 0.0000453300000000 ] - [ -0.0038723100000000, 0.0036411900000000, -0.0030979300000000 ] - [ 0.0002774800000000, -0.0002423900000000, -0.0000888700000000 ] - [ -0.0071268100000000, 0.0090185100000000, -0.0318169900000000 ] - [ 0.0010951200000000, 0.0006738200000000, 0.0018816800000000 ] - [ -0.0028532100000000, 0.0016670500000000, -0.0004068500000000 ] - [ -0.0028484900000000, 0.0015336900000000, -0.0005225200000000 ] - [ -0.0041498900000000, -0.0025656000000000, -0.0006918600000000 ] - [ -0.0017395800000000, -0.0007494100000000, -0.0002357100000000 ] - [ -0.0015718600000000, -0.0012596500000000, -0.0024249400000000 ] - [ -0.0017386900000000, 0.0015754800000000, -0.0027926500000000 ] - [ -0.0047526800000000, 0.0074981100000000, 0.0201916700000000 ] - [ 0.0016180000000000, 0.0006218200000000, 0.0012274100000000 ] - [ -0.0011935000000000, -0.0008509700000000, 0.0076475700000000 ] - [ -0.0009354400000000, 0.0008082300000000, 0.0049938500000000 ] - [ 0.0000238900000000, -0.0000813900000000, -0.0044292800000000 ] - [ -0.0001484500000000, 0.0001635200000000, 0.0002816300000000 ] - [ -0.0041692500000000, 0.0004793100000000, -0.0004793100000000 ] - [ -0.0034878500000000, 0.0027080600000000, -0.0008501800000000 ] - [ 0.0065882300000000, -0.0048761000000000, 0.0000322400000000 ] - [ 0.0000830600000000, 0.0014591900000000, 0.0008007000000000 ] - [ -0.0269898300000000, -0.0129753800000000, -0.0001294200000000 ] - [ 0.0041023200000000, 0.0048108100000000, -0.0000508500000000 ] - [ 0.0034130300000000, 0.0013692000000000, -0.0001600800000000 ] - [ 0.0016241400000000, 0.0005959600000000, 0.0013059200000000 ] - [ -0.0034544600000000, -0.0007941700000000, -0.0003294400000000 ] - [ -0.0025786400000000, -0.0022149700000000, -0.0005426800000000 ] - [ -0.0017070000000000, -0.0026344300000000, 0.0036655300000000 ] - [ 0.0016721200000000, 0.0020986200000000, 0.0006919300000000 ] - [ -0.0026171000000000, 0.0037875900000000, 0.0309561300000000 ] - [ 0.0009906700000000, 0.0005930800000000, 0.0016513800000000 ] - [ -0.0017618100000000, 0.0000547800000000, 0.0037987100000000 ] - [ -0.0004387700000000, 0.0014941600000000, 0.0032189100000000 ] - [ -0.0299050200000000, 0.0224110800000000, -0.0036000800000000 ] - [ 0.0040546600000000, -0.0043737900000000, -0.0001809200000000 ] - [ 0.0011627700000000, 0.0011921600000000, 0.0014799900000000 ] - [ 0.0011303100000000, 0.0014360600000000, 0.0001610100000000 ] - [ 0.0048155800000000, -0.0056038800000000, 0.0010141100000000 ] - [ -0.0012545500000000, 0.0018473700000000, 0.0005746300000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020579900000000, 0.0005992000000000, 0.0009729600000000 ] - [ 0.0015556300000000, -0.0004788500000000, 0.0006131400000000 ] - [ 0.0057812500000000, 0.0017849600000000, 0.0025337800000000 ] - [ 0.0001145500000000, -0.0009875600000000, 0.0005269700000000 ] - [ -0.0085245300000000, 0.0113814000000000, 0.0013447500000000 ] - [ -0.0010273700000000, -0.0067029800000000, -0.0050907700000000 ] - [ 0.0045458600000000, 0.0024531300000000, -0.0038036000000000 ] - [ -0.0008431300000000, -0.0022185200000000, -0.0006340800000000 ] - [ -0.0011395800000000, 0.0032083400000000, 0.0202446700000000 ] - [ -0.0009367200000000, -0.0028976700000000, -0.0033627100000000 ] - [ -0.0098684600000000, 0.0189422600000000, -0.0179361500000000 ] - [ -0.0169893700000000, -0.0241809500000000, -0.0021342700000000 ] - [ 0.0035220800000000, 0.0108819700000000, -0.0003802900000000 ] - [ 0.0093106100000000, -0.0137184100000000, 0.0018156700000000 ] - [ 0.0032465800000000, 0.0028877400000000, 0.0022609700000000 ] - [ 0.0035732000000000, -0.0035877700000000, 0.0034447300000000 ] - [ 0.0022793500000000, 0.0028787000000000, 0.0019654400000000 ] - [ 0.0028070100000000, -0.0037709900000000, 0.0027360100000000 ] - [ 0.0048558600000000, 0.0013373600000000, 0.0032157800000000 ] - [ 0.0036620000000000, -0.0019794400000000, 0.0006050900000000 ] - [ -0.0009987800000000, 0.0027171800000000, 0.0162907400000000 ] - [ -0.0012996000000000, -0.0022806000000000, -0.0030140000000000 ] - [ 0.0040785800000000, 0.0017208500000000, 0.0025990700000000 ] - [ 0.0031621800000000, -0.0020802500000000, 0.0004808600000000 ] - [ 0.0026265200000000, 0.0090353500000000, -0.0010500300000000 ] - [ 0.0088204600000000, -0.0132017300000000, 0.0007911600000000 ] - [ -0.0029082000000000, 0.0057727300000000, -0.0124073700000000 ] - [ -0.0005859400000000, -0.0057291200000000, -0.0018121800000000 ] - [ -0.0033556300000000, 0.0057665900000000, -0.0165906900000000 ] - [ -0.0009885100000000, -0.0051751700000000, -0.0010773500000000 ] - [ -0.0274572700000000, 0.0426873800000000, 0.0110646700000000 ] - [ -0.0168282000000000, -0.0197376500000000, -0.0014800700000000 ] - [ -0.0012611500000000, -0.0004367000000000, -0.0037968500000000 ] - [ -0.0007972300000000, 0.0004379500000000, 0.0009299700000000 ] - [ 0.1126104700000000, -0.1620895700000000, 0.0068055300000000 ] - [ -0.0042189000000000, 0.0120650200000000, -0.0003489000000000 ] - [ 0.0168971800000000, 0.0457023300000000, -0.0008515500000000 ] - [ 0.0143492800000000, 0.0341350200000000, 0.0018542700000000 ] - [ 0.0009639900000000, -0.0022504800000000, 0.0031948100000000 ] - [ -0.0013679100000000, 0.0031678300000000, 0.0026180400000000 ] - [ -0.0012217400000000, -0.0004907300000000, -0.0010583300000000 ] - [ -0.0007587700000000, 0.0006495900000000, -0.0010182300000000 ] - [ -0.0005876500000000, -0.0007860100000000, -0.0012039300000000 ] - [ -0.0008076000000000, 0.0010448400000000, -0.0033732600000000 ] - [ -0.0033045400000000, 0.0023735700000000, -0.0306718400000000 ] - [ 0.0006287700000000, 0.0012411600000000, 0.0033513700000000 ] - [ 0.0064433800000000, -0.0027959100000000, -0.0000997200000000 ] - [ -0.0227559500000000, 0.0264533600000000, 0.0098847400000000 ] - [ 0.0000369600000000, -0.0002656800000000, -0.0002495000000000 ] - [ -0.0032931900000000, 0.0026297500000000, -0.0017649900000000 ] - [ -0.0009193100000000, -0.0016891100000000, 0.0006264700000000 ] - [ -0.0031869800000000, -0.0006982200000000, -0.0004541100000000 ] - [ -0.0029995400000000, -0.0028589900000000, -0.0011709900000000 ] - [ 0.0006932200000000, 0.0013055200000000, -0.0002955700000000 ] - [ -0.0133611200000000, -0.0146496800000000, 0.0046221200000000 ] - [ 0.0037917800000000, 0.0070973200000000, -0.0013165000000000 ] - [ -0.0016154400000000, -0.0006625900000000, -0.0007163700000000 ] - [ -0.0015171800000000, -0.0010200000000000, -0.0004321100000000 ] - [ -0.0001272900000000, -0.0002732600000000, -0.0025044500000000 ] - [ -0.0001666000000000, 0.0003805700000000, -0.0020169100000000 ] - [ -0.0013192600000000, -0.0001423800000000, -0.0006611500000000 ] - [ -0.0020291400000000, 0.0020788000000000, -0.0006348900000000 ] - [ -0.0018804400000000, -0.0008532400000000, -0.0004845200000000 ] - [ -0.0032822500000000, 0.0048248500000000, 0.0011208000000000 ] - [ -0.0027683600000000, -0.0031527500000000, -0.0012019100000000 ] - [ 0.0010179100000000, 0.0013178200000000, 0.0003198500000000 ] - [ -0.0034780900000000, 0.0032167100000000, -0.0025565200000000 ] - [ 0.0003308600000000, -0.0001908500000000, 0.0003053100000000 ] - [ -0.0102063800000000, 0.0037483200000000, -0.0270313200000000 ] - [ 0.0010914200000000, 0.0014706600000000, 0.0034900900000000 ] - [ -0.0016701700000000, 0.0010320800000000, -0.0002431000000000 ] - [ -0.0018046000000000, 0.0010380500000000, -0.0006059500000000 ] - [ -0.0027025000000000, -0.0020061100000000, -0.0006497700000000 ] - [ -0.0008913200000000, 0.0000627400000000, -0.0001298400000000 ] - [ -0.0006982600000000, -0.0010305700000000, -0.0008780200000000 ] - [ -0.0016007300000000, 0.0015064400000000, -0.0026095500000000 ] - [ -0.0081793600000000, 0.0031737700000000, 0.0198996100000000 ] - [ 0.0016059800000000, 0.0026650800000000, -0.0001577200000000 ] - [ -0.0006278500000000, -0.0007865700000000, 0.0042230100000000 ] - [ -0.0008364800000000, 0.0009339400000000, 0.0031968500000000 ] - [ -0.0000028800000000, -0.0002516400000000, -0.0044243400000000 ] - [ -0.0001178500000000, 0.0002780700000000, 0.0004775600000000 ] - [ -0.0012243000000000, -0.0006589400000000, -0.0002366600000000 ] - [ -0.0032640600000000, 0.0031510800000000, -0.0009524900000000 ] - [ 0.0051121600000000, -0.0060431900000000, -0.0012582100000000 ] - [ -0.0009122300000000, 0.0027422900000000, 0.0008688600000000 ] - [ -0.0104830700000000, -0.0113596200000000, 0.0000769500000000 ] - [ 0.0048492300000000, 0.0059430400000000, 0.0000169600000000 ] - [ 0.0015811500000000, 0.0017197300000000, -0.0014479900000000 ] - [ 0.0010883900000000, 0.0003336900000000, 0.0013676700000000 ] - [ -0.0026089400000000, -0.0008126300000000, -0.0003163900000000 ] - [ -0.0008182800000000, -0.0006387800000000, -0.0003127600000000 ] - [ -0.0013820900000000, -0.0043555800000000, 0.0019220500000000 ] - [ 0.0019597200000000, 0.0031849600000000, 0.0003115700000000 ] - [ -0.0038408400000000, 0.0002353800000000, 0.0255784300000000 ] - [ 0.0010866900000000, 0.0012036500000000, -0.0007067100000000 ] - [ 0.0004705500000000, 0.0017236200000000, 0.0004757500000000 ] - [ -0.0005229000000000, 0.0012546100000000, 0.0026706900000000 ] - [ -0.0264363500000000, 0.0241669600000000, -0.0038206000000000 ] - [ 0.0043795300000000, -0.0025392000000000, 0.0001742500000000 ] - [ 0.0015106000000000, 0.0013064000000000, 0.0012971800000000 ] - [ 0.0012305300000000, 0.0013062600000000, -0.0003642500000000 ] - [ 0.0056147300000000, -0.0064972500000000, 0.0001594900000000 ] - [ -0.0017357900000000, 0.0026558900000000, 0.0004556000000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017611000000000, -0.0006012800000000, -0.0012809500000000 ] - [ -0.0012464800000000, 0.0004805000000000, -0.0009433900000000 ] - [ -0.0047799500000000, -0.0017516300000000, -0.0024279700000000 ] - [ 0.0009385900000000, 0.0009706100000000, -0.0004058500000000 ] - [ 0.0090852000000000, -0.0111308300000000, -0.0019467100000000 ] - [ 0.0013371800000000, 0.0066968300000000, 0.0048435000000000 ] - [ -0.0034822600000000, -0.0024844100000000, 0.0039609400000000 ] - [ 0.0018946100000000, 0.0022322400000000, 0.0007881100000000 ] - [ 0.0007960400000000, -0.0032422600000000, -0.0206960200000000 ] - [ 0.0005714200000000, 0.0029204200000000, 0.0029963200000000 ] - [ 0.0130387000000000, -0.0208606300000000, 0.0188126200000000 ] - [ 0.0175152400000000, 0.0241318600000000, 0.0024349800000000 ] - [ -0.0033721200000000, -0.0108660100000000, 0.0016844200000000 ] - [ -0.0092135600000000, 0.0137613300000000, -0.0005122900000000 ] - [ -0.0023350500000000, -0.0028917600000000, -0.0022356500000000 ] - [ -0.0026634600000000, 0.0035944700000000, -0.0034409800000000 ] - [ -0.0023953300000000, -0.0028946500000000, -0.0022024500000000 ] - [ -0.0029208000000000, 0.0037972200000000, -0.0029614200000000 ] - [ -0.0048889300000000, -0.0013551400000000, -0.0036074400000000 ] - [ -0.0036953800000000, 0.0019974000000000, -0.0009869100000000 ] - [ 0.0006008300000000, -0.0026936500000000, -0.0167075500000000 ] - [ 0.0009152000000000, 0.0022681000000000, 0.0026917300000000 ] - [ -0.0034439900000000, -0.0017061100000000, -0.0022973800000000 ] - [ -0.0025138400000000, 0.0020746900000000, -0.0001723000000000 ] - [ -0.0025142400000000, -0.0091610200000000, 0.0023428300000000 ] - [ -0.0086228900000000, 0.0132426300000000, 0.0005056600000000 ] - [ 0.0038465600000000, -0.0058169600000000, 0.0124257700000000 ] - [ 0.0015050300000000, 0.0057733700000000, 0.0018376800000000 ] - [ 0.0032906400000000, -0.0057666300000000, 0.0164555000000000 ] - [ 0.0009109500000000, 0.0051677000000000, 0.0008493700000000 ] - [ 0.0240106600000000, -0.0404420200000000, -0.0109481500000000 ] - [ 0.0170068300000000, 0.0198128300000000, 0.0011077600000000 ] - [ 0.0003513000000000, 0.0004432700000000, 0.0042269300000000 ] - [ -0.0001103600000000, -0.0004397700000000, -0.0005235800000000 ] - [ -0.1121521700000000, 0.1611081700000000, -0.0077511200000000 ] - [ 0.0041425700000000, -0.0122856300000000, 0.0000626600000000 ] - [ -0.0168014900000000, -0.0448549600000000, 0.0005776700000000 ] - [ -0.0146057000000000, -0.0344072400000000, -0.0021704200000000 ] - [ -0.0011003300000000, 0.0022482200000000, -0.0036146200000000 ] - [ 0.0012593100000000, -0.0031658200000000, -0.0030417700000000 ] - [ 0.0014091700000000, 0.0004909600000000, 0.0018678700000000 ] - [ 0.0009444600000000, -0.0006475800000000, 0.0018268600000000 ] - [ 0.0000479100000000, 0.0007861400000000, 0.0013932800000000 ] - [ 0.0002741900000000, -0.0010469400000000, 0.0035910200000000 ] - [ 0.0032927700000000, -0.0022984100000000, 0.0301158300000000 ] - [ -0.0006206500000000, -0.0012461500000000, -0.0041697600000000 ] - [ -0.0061331500000000, 0.0026715100000000, -0.0001197700000000 ] - [ 0.0231926300000000, -0.0268059700000000, -0.0101870000000000 ] - [ -0.0001217300000000, 0.0004704600000000, -0.0000080800000000 ] - [ 0.0032187000000000, -0.0024279900000000, 0.0015136300000000 ] - [ 0.0005159000000000, 0.0013123000000000, -0.0004912400000000 ] - [ 0.0027983000000000, 0.0003420400000000, 0.0005874100000000 ] - [ 0.0029214500000000, 0.0026637800000000, 0.0009160200000000 ] - [ -0.0007807300000000, -0.0015191100000000, 0.0000401400000000 ] - [ 0.0135629000000000, 0.0148723300000000, -0.0048472900000000 ] - [ -0.0035059000000000, -0.0070134400000000, 0.0011035800000000 ] - [ 0.0011891800000000, 0.0002205000000000, 0.0006866300000000 ] - [ 0.0010959200000000, 0.0005864600000000, 0.0004019900000000 ] - [ 0.0005453800000000, 0.0002767500000000, 0.0023880300000000 ] - [ 0.0005838300000000, -0.0003819500000000, 0.0019003600000000 ] - [ 0.0008964300000000, 0.0005841700000000, 0.0006289400000000 ] - [ 0.0016078600000000, -0.0016431900000000, 0.0006023000000000 ] - [ 0.0014740300000000, 0.0012324100000000, 0.0006197500000000 ] - [ 0.0028911300000000, -0.0044745500000000, -0.0009924700000000 ] - [ 0.0026983100000000, 0.0029035600000000, 0.0015818800000000 ] - [ -0.0011117400000000, -0.0015839900000000, 0.0000483300000000 ] - [ 0.0034090500000000, -0.0029696700000000, 0.0029396600000000 ] - [ -0.0004248600000000, 0.0004627200000000, 0.0000669700000000 ] - [ 0.0093141300000000, -0.0038367400000000, 0.0273780400000000 ] - [ -0.0020108900000000, -0.0014687400000000, -0.0031241400000000 ] - [ 0.0016051200000000, -0.0012475000000000, -0.0000345300000000 ] - [ 0.0017332500000000, -0.0012432300000000, 0.0003276900000000 ] - [ 0.0026376600000000, 0.0022240400000000, 0.0003749500000000 ] - [ 0.0008160300000000, 0.0001464800000000, -0.0001464200000000 ] - [ 0.0005953300000000, 0.0010396000000000, 0.0004946400000000 ] - [ 0.0014871100000000, -0.0015113800000000, 0.0022011500000000 ] - [ 0.0083367400000000, -0.0030987700000000, -0.0191687500000000 ] - [ -0.0014229700000000, -0.0026856200000000, 0.0009329600000000 ] - [ 0.0000979600000000, 0.0007951500000000, -0.0040446800000000 ] - [ 0.0002984800000000, -0.0009368700000000, -0.0029942300000000 ] - [ 0.0000133200000000, 0.0002484400000000, 0.0035861100000000 ] - [ 0.0001270400000000, -0.0002754900000000, -0.0013381900000000 ] - [ 0.0015149500000000, 0.0005801700000000, 0.0000382200000000 ] - [ 0.0035241200000000, -0.0032221800000000, 0.0007445100000000 ] - [ -0.0052004900000000, 0.0062660100000000, 0.0010166100000000 ] - [ 0.0008256900000000, -0.0025377600000000, -0.0011326200000000 ] - [ 0.0102380000000000, 0.0109922400000000, 0.0000596700000000 ] - [ -0.0053005000000000, -0.0063542900000000, 0.0001163400000000 ] - [ -0.0016797800000000, -0.0019524400000000, 0.0012008500000000 ] - [ -0.0011631700000000, -0.0005208600000000, -0.0016294700000000 ] - [ 0.0028743700000000, 0.0008771400000000, 0.0001120700000000 ] - [ 0.0010935200000000, 0.0007264100000000, 0.0001129400000000 ] - [ 0.0009404100000000, 0.0039213400000000, -0.0019531400000000 ] - [ -0.0024012900000000, -0.0036386500000000, -0.0003475500000000 ] - [ 0.0042944100000000, -0.0003138100000000, -0.0257020900000000 ] - [ -0.0006802000000000, -0.0011992100000000, 0.0006105300000000 ] - [ -0.0009127000000000, -0.0013029800000000, -0.0005012300000000 ] - [ 0.0000731900000000, -0.0007876600000000, -0.0026997300000000 ] - [ 0.0259590400000000, -0.0236420800000000, 0.0038904400000000 ] - [ -0.0048387000000000, 0.0029886600000000, -0.0000332100000000 ] - [ -0.0016205600000000, -0.0015911300000000, -0.0009325000000000 ] - [ -0.0013316400000000, -0.0015691100000000, 0.0007392600000000 ] - [ -0.0057478700000000, 0.0068062900000000, 0.0001934300000000 ] - [ 0.0016427100000000, -0.0023961000000000, -0.0000823500000000 ]- atom: 35 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0013027000000000, 0.0001731800000000, 0.0004906500000000 ] - [ 0.0011300400000000, -0.0001295100000000, 0.0004445500000000 ] - [ 0.0027285700000000, 0.0002428800000000, 0.0036898400000000 ] - [ 0.0005430600000000, -0.0002101100000000, 0.0010844400000000 ] - [ -0.0001711700000000, 0.0091839500000000, -0.0047292000000000 ] - [ -0.0009842000000000, -0.0036853700000000, -0.0008106200000000 ] - [ 0.0052409200000000, -0.0003136200000000, -0.0027088400000000 ] - [ 0.0007160100000000, -0.0001214600000000, -0.0006072000000000 ] - [ -0.0011922700000000, 0.0020100400000000, 0.0035722800000000 ] - [ -0.0005763900000000, -0.0014761600000000, -0.0010930400000000 ] - [ -0.0077178600000000, -0.0023013100000000, 0.0068423700000000 ] - [ -0.0079057900000000, -0.0056434800000000, 0.0006286900000000 ] - [ 0.0068099900000000, 0.0082815400000000, 0.0020906700000000 ] - [ 0.0030361100000000, -0.0042834100000000, 0.0019512300000000 ] - [ 0.0013453400000000, 0.0006904100000000, 0.0026061000000000 ] - [ 0.0014668500000000, -0.0008293000000000, 0.0018485700000000 ] - [ 0.0001976900000000, 0.0006080900000000, 0.0017312100000000 ] - [ 0.0001066500000000, -0.0005542200000000, 0.0017368100000000 ] - [ 0.0040644900000000, -0.0006129400000000, 0.0008227600000000 ] - [ 0.0027995400000000, 0.0002703700000000, 0.0000137200000000 ] - [ -0.0037721500000000, 0.0020455500000000, 0.0024291200000000 ] - [ -0.0018836400000000, -0.0012832500000000, -0.0009528800000000 ] - [ 0.0039499700000000, 0.0005348800000000, -0.0000583800000000 ] - [ 0.0028535700000000, -0.0006708100000000, -0.0000811900000000 ] - [ 0.0068750400000000, 0.0093609400000000, -0.0018373800000000 ] - [ 0.0072108000000000, -0.0088959100000000, 0.0000328600000000 ] - [ -0.0003928300000000, 0.0005709600000000, -0.0146726800000000 ] - [ 0.0003806200000000, -0.0005126800000000, -0.0034964800000000 ] - [ 0.0023448200000000, 0.0012421200000000, -0.0203355100000000 ] - [ 0.0015036800000000, -0.0025416300000000, -0.0019091700000000 ] - [ -0.0278020700000000, 0.0204911100000000, 0.0186488600000000 ] - [ -0.0066771600000000, -0.0040231900000000, -0.0006637800000000 ] - [ -0.0010661800000000, -0.0000998400000000, -0.0003938900000000 ] - [ -0.0007522300000000, 0.0001172100000000, 0.0006397200000000 ] - [ 0.0818475600000000, -0.0592909200000000, -0.0319429200000000 ] - [ 0.0000680300000000, 0.0021405700000000, -0.0002608100000000 ] - [ 0.0139110700000000, 0.0103049300000000, -0.0047211300000000 ] - [ 0.0067748900000000, 0.0068357700000000, -0.0017239400000000 ] - [ -0.0026781700000000, -0.0010718200000000, 0.0027223200000000 ] - [ -0.0007666900000000, 0.0014932500000000, 0.0005342000000000 ] - [ -0.0006501800000000, -0.0001331900000000, -0.0005732100000000 ] - [ -0.0003849200000000, 0.0001922000000000, -0.0003922000000000 ] - [ -0.0004719500000000, -0.0004313000000000, -0.0024277600000000 ] - [ -0.0004754700000000, 0.0003865900000000, -0.0017800800000000 ] - [ 0.0042168100000000, -0.0024751400000000, -0.0091806400000000 ] - [ 0.0003783200000000, 0.0004286500000000, 0.0002068200000000 ] - [ 0.0023515700000000, -0.0034363500000000, -0.0015860300000000 ] - [ -0.0064357200000000, 0.0052388700000000, 0.0047409200000000 ] - [ -0.0000623400000000, -0.0000265300000000, -0.0003341500000000 ] - [ -0.0007964100000000, 0.0005674000000000, -0.0004290900000000 ] - [ -0.0020418100000000, -0.0024495400000000, 0.0004298300000000 ] - [ -0.0014589100000000, -0.0000085000000000, -0.0003117100000000 ] - [ -0.0007030100000000, -0.0006594900000000, -0.0005604300000000 ] - [ 0.0000212900000000, 0.0002277800000000, -0.0002430200000000 ] - [ -0.0206531300000000, -0.0034582600000000, -0.0009053100000000 ] - [ 0.0013658700000000, 0.0016456700000000, -0.0007306200000000 ] - [ -0.0007837300000000, -0.0003423000000000, -0.0006909900000000 ] - [ -0.0006470700000000, -0.0004926600000000, -0.0004593000000000 ] - [ -0.0000043300000000, -0.0000088100000000, -0.0013509100000000 ] - [ 0.0000251100000000, 0.0000300400000000, -0.0009408200000000 ] - [ -0.0006989900000000, 0.0001494300000000, -0.0006494600000000 ] - [ -0.0007207000000000, 0.0006954100000000, -0.0004999100000000 ] - [ -0.0036032300000000, 0.0009153500000000, -0.0001988300000000 ] - [ -0.0012987200000000, 0.0012315800000000, 0.0002190900000000 ] - [ -0.0001055700000000, -0.0006324000000000, -0.0005288100000000 ] - [ 0.0005365800000000, 0.0003730500000000, 0.0000222600000000 ] - [ 0.0003359700000000, -0.0000450300000000, -0.0003994900000000 ] - [ 0.0003620100000000, 0.0000083300000000, 0.0000336600000000 ] - [ 0.0058293500000000, -0.0032940900000000, -0.0088251400000000 ] - [ 0.0003836100000000, 0.0004581800000000, 0.0004464400000000 ] - [ -0.0013443700000000, 0.0005339400000000, -0.0001889300000000 ] - [ -0.0014390400000000, 0.0007565500000000, -0.0002566400000000 ] - [ -0.0019518800000000, -0.0010147200000000, -0.0002869500000000 ] - [ -0.0009396200000000, -0.0003947600000000, -0.0001209200000000 ] - [ -0.0007130400000000, -0.0005981300000000, -0.0015035100000000 ] - [ -0.0008781100000000, 0.0007156400000000, -0.0021328800000000 ] - [ -0.0105286900000000, 0.0116949800000000, 0.0177014300000000 ] - [ 0.0008123000000000, -0.0005144700000000, 0.0005194000000000 ] - [ -0.0012119400000000, -0.0003813200000000, 0.0062797700000000 ] - [ -0.0008363600000000, 0.0004310200000000, 0.0039003300000000 ] - [ 0.0001470200000000, -0.0002277400000000, -0.0002078300000000 ] - [ -0.0000426400000000, 0.0001292200000000, 0.0005133500000000 ] - [ -0.0023924100000000, 0.0003579700000000, -0.0001690300000000 ] - [ -0.0024079700000000, 0.0018644500000000, -0.0006238000000000 ] - [ 0.0034182200000000, -0.0017936300000000, 0.0018444700000000 ] - [ 0.0000694000000000, 0.0007326900000000, 0.0003899300000000 ] - [ -0.0163901900000000, -0.0080020700000000, -0.0020319300000000 ] - [ 0.0022207200000000, 0.0028778100000000, -0.0001376300000000 ] - [ 0.0012518800000000, -0.0008212400000000, 0.0007818900000000 ] - [ 0.0014786400000000, 0.0012292100000000, 0.0008537300000000 ] - [ -0.0023591400000000, -0.0007680100000000, -0.0002224200000000 ] - [ -0.0013163700000000, -0.0011424400000000, -0.0003115300000000 ] - [ -0.0032767000000000, -0.0023827200000000, 0.0033238300000000 ] - [ 0.0002995300000000, 0.0007124500000000, 0.0003609800000000 ] - [ -0.0062960700000000, 0.0067798800000000, 0.0260453600000000 ] - [ 0.0004655400000000, 0.0002442000000000, 0.0011114200000000 ] - [ -0.0036543800000000, 0.0001252800000000, 0.0044797000000000 ] - [ -0.0024281700000000, 0.0028191600000000, 0.0030038000000000 ] - [ -0.0214977000000000, 0.0163139600000000, -0.0008084500000000 ] - [ 0.0017049100000000, -0.0020975600000000, -0.0001791700000000 ] - [ 0.0007264100000000, 0.0011410400000000, 0.0012177300000000 ] - [ -0.0004214000000000, -0.0001392700000000, 0.0004433700000000 ] - [ 0.0021173600000000, -0.0032460100000000, 0.0023807600000000 ] - [ -0.0010652800000000, 0.0013628300000000, 0.0003673700000000 ]- atom: 35 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0009778600000000, -0.0001675300000000, -0.0007879800000000 ] - [ -0.0008068200000000, 0.0001182300000000, -0.0007725000000000 ] - [ -0.0017036200000000, -0.0002324900000000, -0.0035572400000000 ] - [ 0.0005012100000000, 0.0002032600000000, -0.0009647000000000 ] - [ 0.0007225200000000, -0.0089462000000000, 0.0040946100000000 ] - [ 0.0012956800000000, 0.0036685100000000, 0.0004628700000000 ] - [ -0.0042199900000000, 0.0003337700000000, 0.0028254000000000 ] - [ 0.0003176000000000, 0.0000940800000000, 0.0007291600000000 ] - [ 0.0007912700000000, -0.0019864100000000, -0.0037964100000000 ] - [ 0.0001757700000000, 0.0014507900000000, 0.0007562800000000 ] - [ 0.0084865700000000, 0.0020687900000000, -0.0064224100000000 ] - [ 0.0086024000000000, 0.0056248300000000, -0.0003345500000000 ] - [ -0.0066361700000000, -0.0082776700000000, -0.0008283000000000 ] - [ -0.0027912300000000, 0.0042202000000000, -0.0006553000000000 ] - [ -0.0004107000000000, -0.0006799000000000, -0.0025817000000000 ] - [ -0.0005246800000000, 0.0008113600000000, -0.0018112200000000 ] - [ -0.0002912900000000, -0.0005988500000000, -0.0019408400000000 ] - [ -0.0002014000000000, 0.0005527300000000, -0.0019583500000000 ] - [ -0.0040622000000000, 0.0006289100000000, -0.0011882000000000 ] - [ -0.0027941600000000, -0.0002832800000000, -0.0003936600000000 ] - [ 0.0034384300000000, -0.0020525200000000, -0.0027953000000000 ] - [ 0.0015164600000000, 0.0012802000000000, 0.0005893500000000 ] - [ -0.0032750100000000, -0.0005335500000000, 0.0003781700000000 ] - [ -0.0021835100000000, 0.0006710900000000, 0.0004063900000000 ] - [ -0.0066885300000000, -0.0093182700000000, 0.0031512700000000 ] - [ -0.0070181300000000, 0.0088743800000000, 0.0012834000000000 ] - [ 0.0013319300000000, -0.0005222600000000, 0.0147364400000000 ] - [ 0.0005578600000000, 0.0004612100000000, 0.0035249500000000 ] - [ -0.0025082000000000, -0.0012092400000000, 0.0200253300000000 ] - [ -0.0016283000000000, 0.0025346800000000, 0.0016885900000000 ] - [ 0.0269293700000000, -0.0193551100000000, -0.0193509400000000 ] - [ 0.0065851500000000, 0.0039633200000000, 0.0002871700000000 ] - [ 0.0001575300000000, 0.0000973300000000, 0.0007814900000000 ] - [ -0.0001546200000000, -0.0001131100000000, -0.0002289400000000 ] - [ -0.0814042400000000, 0.0579031900000000, 0.0320582800000000 ] - [ -0.0001514000000000, -0.0023246200000000, -0.0000151800000000 ] - [ -0.0139506800000000, -0.0102276300000000, 0.0044450100000000 ] - [ -0.0068123600000000, -0.0065037100000000, 0.0014581600000000 ] - [ 0.0025968000000000, 0.0010628500000000, -0.0030973900000000 ] - [ 0.0006436000000000, -0.0014788000000000, -0.0009081000000000 ] - [ 0.0008319300000000, 0.0001317300000000, 0.0013687600000000 ] - [ 0.0005659500000000, -0.0001902900000000, 0.0011832100000000 ] - [ -0.0000690800000000, 0.0004288900000000, 0.0026289600000000 ] - [ -0.0000644200000000, -0.0003825000000000, 0.0019583000000000 ] - [ -0.0042289800000000, 0.0025164900000000, 0.0082003200000000 ] - [ -0.0003698000000000, -0.0004256900000000, -0.0010765000000000 ] - [ -0.0020934200000000, 0.0033869600000000, 0.0014034600000000 ] - [ 0.0065562900000000, -0.0051424900000000, -0.0049218900000000 ] - [ -0.0000208500000000, 0.0002314500000000, 0.0000775800000000 ] - [ 0.0006995700000000, -0.0003507000000000, 0.0001622300000000 ] - [ 0.0016335300000000, 0.0020778200000000, -0.0002901000000000 ] - [ 0.0010252400000000, -0.0003802300000000, 0.0004495000000000 ] - [ 0.0006052100000000, 0.0004400900000000, 0.0002992300000000 ] - [ -0.0000977200000000, -0.0004260900000000, -0.0000165400000000 ] - [ 0.0210186300000000, 0.0035041400000000, 0.0008004800000000 ] - [ -0.0011003600000000, -0.0015534000000000, 0.0005273800000000 ] - [ 0.0003495000000000, -0.0001006000000000, 0.0006634100000000 ] - [ 0.0002095600000000, 0.0000432200000000, 0.0004297300000000 ] - [ 0.0004212400000000, 0.0000080400000000, 0.0012162600000000 ] - [ 0.0003917500000000, -0.0000283400000000, 0.0008159800000000 ] - [ 0.0002639300000000, 0.0002934600000000, 0.0006192400000000 ] - [ 0.0002867400000000, -0.0002477200000000, 0.0004694200000000 ] - [ 0.0032045000000000, -0.0005494000000000, 0.0003360300000000 ] - [ 0.0008639300000000, -0.0008244600000000, -0.0000742200000000 ] - [ 0.0000092600000000, 0.0003694000000000, 0.0009032500000000 ] - [ -0.0006294300000000, -0.0006329300000000, 0.0003535500000000 ] - [ -0.0004326000000000, 0.0003099300000000, 0.0007793800000000 ] - [ -0.0004566300000000, 0.0002524300000000, 0.0003437100000000 ] - [ -0.0067054300000000, 0.0032363300000000, 0.0093018200000000 ] - [ -0.0012872300000000, -0.0004545600000000, -0.0000178600000000 ] - [ 0.0012620200000000, -0.0007320900000000, -0.0000911500000000 ] - [ 0.0013560600000000, -0.0009553400000000, -0.0000275300000000 ] - [ 0.0018663700000000, 0.0012133800000000, 0.0000065500000000 ] - [ 0.0008564400000000, 0.0005982600000000, -0.0001585500000000 ] - [ 0.0005953500000000, 0.0005945100000000, 0.0010982200000000 ] - [ 0.0007639100000000, -0.0007153000000000, 0.0017290400000000 ] - [ 0.0108293800000000, -0.0118855800000000, -0.0170302900000000 ] - [ -0.0006306000000000, 0.0005451400000000, 0.0002942200000000 ] - [ 0.0006787100000000, 0.0003770800000000, -0.0061041400000000 ] - [ 0.0002991800000000, -0.0004272500000000, -0.0037226000000000 ] - [ -0.0001425600000000, 0.0002275400000000, -0.0006641200000000 ] - [ 0.0000476700000000, -0.0001291000000000, -0.0013753800000000 ] - [ 0.0026453100000000, -0.0004302200000000, -0.0000418600000000 ] - [ 0.0026631200000000, -0.0019348500000000, 0.0004123100000000 ] - [ -0.0035359200000000, 0.0020023800000000, -0.0021208500000000 ] - [ -0.0001656100000000, -0.0005073900000000, -0.0006395900000000 ] - [ 0.0158874000000000, 0.0075732100000000, 0.0021325700000000 ] - [ -0.0026185400000000, -0.0032375200000000, 0.0002744200000000 ] - [ -0.0013556800000000, 0.0006241500000000, -0.0010524000000000 ] - [ -0.0015715900000000, -0.0014495200000000, -0.0011028300000000 ] - [ 0.0026130500000000, 0.0008399900000000, 0.0000113700000000 ] - [ 0.0015716000000000, 0.0012083100000000, 0.0001007200000000 ] - [ 0.0028510000000000, 0.0019114200000000, -0.0033599200000000 ] - [ -0.0007232000000000, -0.0011391600000000, -0.0003852500000000 ] - [ 0.0066258200000000, -0.0066662100000000, -0.0259082000000000 ] - [ -0.0000436300000000, -0.0002402200000000, -0.0012516400000000 ] - [ 0.0032311000000000, 0.0003672800000000, -0.0045352700000000 ] - [ 0.0020244800000000, -0.0024069800000000, -0.0030421900000000 ] - [ 0.0209970400000000, -0.0159074400000000, 0.0009858200000000 ] - [ -0.0020878700000000, 0.0024619200000000, 0.0003142500000000 ] - [ -0.0007866200000000, -0.0013764600000000, -0.0008414200000000 ] - [ 0.0003417000000000, -0.0001135300000000, -0.0000741700000000 ] - [ -0.0021506400000000, 0.0034517400000000, -0.0020268800000000 ] - [ 0.0009698400000000, -0.0010956800000000, 0.0000095200000000 ]- atom: 39 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0009025000000000, 0.0002303100000000, -0.0004129600000000 ] - [ -0.0009025000000000, -0.0002303100000000, -0.0004129600000000 ] - [ -0.0011332900000000, 0.0000000000000000, -0.0004455200000000 ] - [ -0.0002278300000000, 0.0000000000000000, -0.0003836200000000 ] - [ 0.0042570700000000, 0.0000000000000000, 0.0003226700000000 ] - [ 0.0006895100000000, 0.0000000000000000, 0.0000033100000000 ] - [ 0.0087649300000000, 0.0020760800000000, 0.0009597700000000 ] - [ 0.0087649300000000, -0.0020760800000000, 0.0009597700000000 ] - [ -0.0029884200000000, 0.0049584900000000, 0.0041064800000000 ] - [ -0.0029884200000000, -0.0049584900000000, 0.0041064800000000 ] - [ -0.0017632700000000, -0.0057534900000000, 0.0046047200000000 ] - [ -0.0017632700000000, 0.0057534900000000, 0.0046047200000000 ] - [ 0.0180718500000000, 0.0000000000000000, -0.0057791300000000 ] - [ 0.0034258800000000, 0.0000000000000000, 0.0014135600000000 ] - [ -0.0008631700000000, 0.0000000000000000, -0.0033957400000000 ] - [ -0.0005562800000000, 0.0000000000000000, 0.0001462300000000 ] - [ -0.0021522700000000, -0.0000070800000000, -0.0025085800000000 ] - [ -0.0021522700000000, 0.0000070800000000, -0.0025085800000000 ] - [ -0.0058696500000000, 0.0058466500000000, -0.0016004200000000 ] - [ -0.0058696500000000, -0.0058466500000000, -0.0016004200000000 ] - [ -0.0051116300000000, 0.0000000000000000, -0.0033384600000000 ] - [ -0.0033037900000000, 0.0000000000000000, -0.0014279100000000 ] - [ -0.0023993800000000, 0.0000000000000000, -0.0021138900000000 ] - [ -0.0020843500000000, 0.0000000000000000, -0.0009241100000000 ] - [ -0.0014528600000000, -0.0003477100000000, -0.0016626000000000 ] - [ -0.0014528600000000, 0.0003477100000000, -0.0016626000000000 ] - [ -0.0016531300000000, -0.0054732300000000, -0.0020704600000000 ] - [ -0.0016531300000000, 0.0054732300000000, -0.0020704600000000 ] - [ 0.0169648900000000, 0.0000000000000000, 0.0093984000000000 ] - [ 0.0032414200000000, 0.0000000000000000, 0.0007888200000000 ] - [ -0.0032541000000000, 0.0000000000000000, 0.0038781500000000 ] - [ -0.0014021800000000, 0.0000000000000000, 0.0000051100000000 ] - [ 0.0002443500000000, -0.0010166500000000, -0.0006516000000000 ] - [ 0.0002443500000000, 0.0010166500000000, -0.0006516000000000 ] - [ 0.0014785600000000, 0.0009096100000000, -0.0022787900000000 ] - [ 0.0009647900000000, -0.0014225300000000, -0.0002934100000000 ] - [ 0.0014785600000000, -0.0009096100000000, -0.0022787900000000 ] - [ 0.0009647900000000, 0.0014225300000000, -0.0002934100000000 ] - [ -0.0704012600000000, 0.0000000000000000, -0.0092834900000000 ] - [ -0.0009526900000000, 0.0000000000000000, -0.0007551500000000 ] - [ 0.0010313000000000, 0.0000000000000000, 0.0017683000000000 ] - [ 0.0005269100000000, 0.0000000000000000, 0.0006674200000000 ] - [ 0.0009683800000000, 0.0000000000000000, 0.0095828100000000 ] - [ -0.0003619700000000, 0.0000000000000000, -0.0004459800000000 ] - [ 0.0005787700000000, 0.0000523400000000, -0.0057148200000000 ] - [ 0.0005787700000000, -0.0000523400000000, -0.0057148200000000 ] - [ 0.0022628000000000, -0.0097746100000000, -0.0137260300000000 ] - [ -0.0014567800000000, 0.0012936600000000, -0.0002404100000000 ] - [ -0.0000609700000000, 0.0006633100000000, -0.0001991300000000 ] - [ 0.0008868600000000, -0.0008162000000000, -0.0004421700000000 ] - [ 0.0061606500000000, 0.0105327900000000, 0.0103541800000000 ] - [ -0.0014633900000000, -0.0017544300000000, -0.0000503900000000 ] - [ -0.0000609700000000, -0.0006633100000000, -0.0001991300000000 ] - [ 0.0008868600000000, 0.0008162000000000, -0.0004421700000000 ] - [ 0.0022628000000000, 0.0097746100000000, -0.0137260300000000 ] - [ -0.0014567800000000, -0.0012936600000000, -0.0002404100000000 ] - [ 0.0008007000000000, 0.0003262000000000, 0.0003510700000000 ] - [ 0.0003544500000000, -0.0000575600000000, 0.0001393800000000 ] - [ 0.0008262200000000, -0.0005034700000000, 0.0028146100000000 ] - [ 0.0008262200000000, 0.0005034700000000, 0.0028146100000000 ] - [ 0.0008007000000000, -0.0003262000000000, 0.0003510700000000 ] - [ 0.0003544500000000, 0.0000575600000000, 0.0001393800000000 ] - [ 0.0061606500000000, -0.0105327900000000, 0.0103541800000000 ] - [ -0.0014633900000000, 0.0017544300000000, -0.0000503900000000 ] - [ 0.0017638500000000, 0.0011608900000000, 0.0005398900000000 ] - [ 0.0011567600000000, 0.0007497500000000, 0.0004309000000000 ] - [ 0.0017638500000000, -0.0011608900000000, 0.0005398900000000 ] - [ 0.0011567600000000, -0.0007497500000000, 0.0004309000000000 ] - [ 0.0028075000000000, 0.0000000000000000, 0.0000367600000000 ] - [ 0.0000120700000000, 0.0000000000000000, 0.0007128100000000 ] - [ 0.0014691700000000, -0.0007455300000000, 0.0001295400000000 ] - [ 0.0016310600000000, -0.0016354600000000, 0.0000432900000000 ] - [ 0.0014691700000000, 0.0007455300000000, 0.0001295400000000 ] - [ 0.0016310600000000, 0.0016354600000000, 0.0000432900000000 ] - [ 0.0005172400000000, 0.0000235200000000, 0.0006959000000000 ] - [ 0.0005172400000000, -0.0000235200000000, 0.0006959000000000 ] - [ -0.0000880300000000, 0.0026525200000000, 0.0001457700000000 ] - [ -0.0000880300000000, -0.0026525200000000, 0.0001457700000000 ] - [ -0.0000580000000000, 0.0004407600000000, 0.0025996500000000 ] - [ -0.0000580000000000, -0.0004407600000000, 0.0025996500000000 ] - [ 0.0004758600000000, 0.0000000000000000, 0.0020383100000000 ] - [ 0.0002899700000000, 0.0000000000000000, 0.0010318600000000 ] - [ 0.0012027800000000, -0.0005350900000000, 0.0002363300000000 ] - [ 0.0011708300000000, -0.0006155900000000, 0.0001266000000000 ] - [ 0.0018108900000000, 0.0011687500000000, 0.0019100200000000 ] - [ 0.0013553100000000, -0.0015679900000000, 0.0000050800000000 ] - [ 0.0007914400000000, 0.0003781300000000, 0.0000945900000000 ] - [ 0.0003190900000000, -0.0000257900000000, 0.0002897300000000 ] - [ 0.0018108900000000, -0.0011687500000000, 0.0019100200000000 ] - [ 0.0013553100000000, 0.0015679900000000, 0.0000050800000000 ] - [ 0.0012027800000000, 0.0005350900000000, 0.0002363300000000 ] - [ 0.0011708300000000, 0.0006155900000000, 0.0001266000000000 ] - [ 0.0010710100000000, 0.0082285000000000, 0.0125664600000000 ] - [ -0.0017544300000000, -0.0014616100000000, -0.0000937100000000 ] - [ 0.0015963700000000, 0.0000000000000000, -0.0062059200000000 ] - [ 0.0001299500000000, 0.0000000000000000, -0.0008978600000000 ] - [ 0.0010710100000000, -0.0082285000000000, 0.0125664600000000 ] - [ -0.0017544300000000, 0.0014616100000000, -0.0000937100000000 ] - [ 0.0007914400000000, -0.0003781300000000, 0.0000945900000000 ] - [ 0.0003190900000000, 0.0000257900000000, 0.0002897300000000 ] - [ 0.0043989500000000, 0.0078290600000000, -0.0093638500000000 ] - [ -0.0015362700000000, -0.0016170400000000, -0.0000335100000000 ] - [ 0.0043989500000000, -0.0078290600000000, -0.0093638500000000 ] - [ -0.0015362700000000, 0.0016170400000000, -0.0000335100000000 ]- atom: 39 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0012231100000000, -0.0002284800000000, 0.0001060200000000 ] - [ 0.0012231100000000, 0.0002284800000000, 0.0001060200000000 ] - [ 0.0021807300000000, 0.0000000000000000, 0.0005717200000000 ] - [ 0.0012794200000000, 0.0000000000000000, 0.0005049200000000 ] - [ -0.0051269400000000, 0.0000000000000000, -0.0006088000000000 ] - [ -0.0003804100000000, 0.0000000000000000, -0.0003109800000000 ] - [ -0.0077621900000000, -0.0021771800000000, -0.0008293900000000 ] - [ -0.0077621900000000, 0.0021771800000000, -0.0008293900000000 ] - [ 0.0026127500000000, -0.0049613700000000, -0.0044573200000000 ] - [ 0.0026127500000000, 0.0049613700000000, -0.0044573200000000 ] - [ 0.0024081000000000, 0.0057726300000000, -0.0043261900000000 ] - [ 0.0024081000000000, -0.0057726300000000, -0.0043261900000000 ] - [ -0.0180659100000000, 0.0000000000000000, 0.0070820400000000 ] - [ -0.0032547000000000, 0.0000000000000000, -0.0001180300000000 ] - [ 0.0018009700000000, 0.0000000000000000, 0.0034975000000000 ] - [ 0.0014957300000000, 0.0000000000000000, -0.0001200600000000 ] - [ 0.0020661100000000, 0.0000084600000000, 0.0022979200000000 ] - [ 0.0020661100000000, -0.0000084600000000, 0.0022979200000000 ] - [ 0.0058731700000000, -0.0058437200000000, 0.0012272500000000 ] - [ 0.0058731700000000, 0.0058437200000000, 0.0012272500000000 ] - [ 0.0047734800000000, 0.0000000000000000, 0.0030326000000000 ] - [ 0.0029239700000000, 0.0000000000000000, 0.0010791500000000 ] - [ 0.0030736900000000, 0.0000000000000000, 0.0024474700000000 ] - [ 0.0027589500000000, 0.0000000000000000, 0.0012438000000000 ] - [ 0.0016414700000000, 0.0003500400000000, 0.0029599000000000 ] - [ 0.0016414700000000, -0.0003500400000000, 0.0029599000000000 ] - [ 0.0025435100000000, 0.0054935200000000, 0.0021211600000000 ] - [ 0.0025435100000000, -0.0054935200000000, 0.0021211600000000 ] - [ -0.0170989700000000, 0.0000000000000000, -0.0097008600000000 ] - [ -0.0033553100000000, 0.0000000000000000, -0.0010118500000000 ] - [ 0.0032923200000000, 0.0000000000000000, -0.0043533500000000 ] - [ 0.0014004200000000, 0.0000000000000000, -0.0003864900000000 ] - [ -0.0011631500000000, 0.0010176800000000, 0.0010518300000000 ] - [ -0.0011631500000000, -0.0010176800000000, 0.0010518300000000 ] - [ -0.0015737000000000, -0.0011342100000000, 0.0020436000000000 ] - [ -0.0010436000000000, 0.0012211400000000, 0.0000215800000000 ] - [ -0.0015737000000000, 0.0011342100000000, 0.0020436000000000 ] - [ -0.0010436000000000, -0.0012211400000000, 0.0000215800000000 ] - [ 0.0714503000000000, 0.0000000000000000, 0.0089080500000000 ] - [ 0.0008444300000000, 0.0000000000000000, 0.0003532800000000 ] - [ -0.0008574700000000, 0.0000000000000000, -0.0009944700000000 ] - [ -0.0003484600000000, 0.0000000000000000, 0.0001339200000000 ] - [ -0.0014687200000000, 0.0000000000000000, -0.0095776400000000 ] - [ -0.0001740800000000, 0.0000000000000000, 0.0006364600000000 ] - [ -0.0005701500000000, -0.0000517500000000, 0.0048734300000000 ] - [ -0.0005701500000000, 0.0000517500000000, 0.0048734300000000 ] - [ -0.0019127000000000, 0.0097389400000000, 0.0136271700000000 ] - [ 0.0017273800000000, -0.0013717300000000, 0.0000357900000000 ] - [ -0.0000217500000000, -0.0004632100000000, -0.0000636000000000 ] - [ -0.0009777500000000, 0.0010266100000000, 0.0001815600000000 ] - [ -0.0065883700000000, -0.0108416900000000, -0.0101433700000000 ] - [ 0.0010456100000000, 0.0013794500000000, 0.0001821400000000 ] - [ -0.0000217500000000, 0.0004632100000000, -0.0000636000000000 ] - [ -0.0009777500000000, -0.0010266100000000, 0.0001815600000000 ] - [ -0.0019127000000000, -0.0097389400000000, 0.0136271700000000 ] - [ 0.0017273800000000, 0.0013717300000000, 0.0000357900000000 ] - [ -0.0012436600000000, -0.0007760600000000, -0.0003884400000000 ] - [ -0.0007877900000000, -0.0003863300000000, -0.0001729700000000 ] - [ -0.0004087600000000, 0.0005037900000000, -0.0029422200000000 ] - [ -0.0004087600000000, -0.0005037900000000, -0.0029422200000000 ] - [ -0.0012436600000000, 0.0007760600000000, -0.0003884400000000 ] - [ -0.0007877900000000, 0.0003863300000000, -0.0001729700000000 ] - [ -0.0065883700000000, 0.0108416900000000, -0.0101433700000000 ] - [ 0.0010456100000000, -0.0013794500000000, 0.0001821400000000 ] - [ -0.0018691800000000, -0.0014332000000000, -0.0001708500000000 ] - [ -0.0012503000000000, -0.0010121100000000, -0.0000585400000000 ] - [ -0.0018691800000000, 0.0014332000000000, -0.0001708500000000 ] - [ -0.0012503000000000, 0.0010121100000000, -0.0000585400000000 ] - [ -0.0037689400000000, 0.0000000000000000, 0.0003856500000000 ] - [ -0.0009198000000000, 0.0000000000000000, -0.0003043300000000 ] - [ -0.0015530900000000, 0.0005429100000000, -0.0004087000000000 ] - [ -0.0017168000000000, 0.0014330000000000, -0.0003215400000000 ] - [ -0.0015530900000000, -0.0005429100000000, -0.0004087000000000 ] - [ -0.0017168000000000, -0.0014330000000000, -0.0003215400000000 ] - [ -0.0006326400000000, -0.0000240300000000, -0.0011004600000000 ] - [ -0.0006326400000000, 0.0000240300000000, -0.0011004600000000 ] - [ 0.0002907200000000, -0.0026786100000000, 0.0006554900000000 ] - [ 0.0002907200000000, 0.0026786100000000, 0.0006554900000000 ] - [ -0.0004749900000000, -0.0004410800000000, -0.0024169200000000 ] - [ -0.0004749900000000, 0.0004410800000000, -0.0024169200000000 ] - [ -0.0004710900000000, 0.0000000000000000, -0.0029237000000000 ] - [ -0.0002843500000000, 0.0000000000000000, -0.0018968600000000 ] - [ -0.0009482800000000, 0.0004640900000000, -0.0004428400000000 ] - [ -0.0009166000000000, 0.0005444200000000, -0.0003311800000000 ] - [ -0.0019087800000000, -0.0009897900000000, -0.0022063400000000 ] - [ -0.0014421700000000, 0.0017792000000000, -0.0002638400000000 ] - [ -0.0012141700000000, -0.0007604200000000, 0.0000486100000000 ] - [ -0.0007337600000000, -0.0003509300000000, -0.0001512000000000 ] - [ -0.0019087800000000, 0.0009897900000000, -0.0022063400000000 ] - [ -0.0014421700000000, -0.0017792000000000, -0.0002638400000000 ] - [ -0.0009482800000000, -0.0004640900000000, -0.0004428400000000 ] - [ -0.0009166000000000, -0.0005444200000000, -0.0003311800000000 ] - [ -0.0013955500000000, -0.0086837300000000, -0.0126827700000000 ] - [ 0.0013364100000000, 0.0010233200000000, 0.0000625000000000 ] - [ -0.0011806600000000, 0.0000000000000000, 0.0062368600000000 ] - [ 0.0002866300000000, 0.0000000000000000, 0.0007797100000000 ] - [ -0.0013955500000000, 0.0086837300000000, -0.0126827700000000 ] - [ 0.0013364100000000, -0.0010233200000000, 0.0000625000000000 ] - [ -0.0012141700000000, 0.0007604200000000, 0.0000486100000000 ] - [ -0.0007337600000000, 0.0003509300000000, -0.0001512000000000 ] - [ -0.0045040100000000, -0.0080449100000000, 0.0096796900000000 ] - [ 0.0014429200000000, 0.0013579800000000, 0.0004101600000000 ] - [ -0.0045040100000000, 0.0080449100000000, 0.0096796900000000 ] - [ 0.0014429200000000, -0.0013579800000000, 0.0004101600000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009318500000000, 0.0000039900000000, -0.0000996900000000 ] - [ -0.0006436800000000, 0.0000107100000000, -0.0002093300000000 ] - [ 0.0005268600000000, 0.0005008700000000, 0.0000637300000000 ] - [ 0.0005347100000000, -0.0004513400000000, 0.0000604500000000 ] - [ 0.0001294200000000, 0.0113629500000000, -0.0001488300000000 ] - [ 0.0001593300000000, -0.0030635800000000, -0.0001534400000000 ] - [ 0.0011243100000000, -0.0156025900000000, -0.0005270900000000 ] - [ -0.0000582700000000, -0.0152675600000000, 0.0006536100000000 ] - [ 0.0048558800000000, -0.0033192400000000, 0.0001758400000000 ] - [ -0.0052703700000000, -0.0032871000000000, -0.0005054900000000 ] - [ -0.0072431700000000, -0.0060426600000000, 0.0010125800000000 ] - [ 0.0079232200000000, -0.0059872200000000, -0.0007243900000000 ] - [ 0.0001153700000000, 0.0212012900000000, 0.0007012900000000 ] - [ 0.0000923800000000, -0.0063671400000000, 0.0006171000000000 ] - [ 0.0004556100000000, 0.0027929000000000, 0.0000566700000000 ] - [ 0.0004572800000000, -0.0027290400000000, 0.0000011000000000 ] - [ 0.0001314300000000, -0.0000874800000000, 0.0011820000000000 ] - [ -0.0002213100000000, -0.0000720600000000, -0.0014011000000000 ] - [ 0.0045930100000000, -0.0030220600000000, 0.0018724000000000 ] - [ -0.0045971700000000, -0.0029740000000000, -0.0022737200000000 ] - [ -0.0001851000000000, 0.0022525700000000, -0.0001766300000000 ] - [ -0.0001838900000000, -0.0025730500000000, -0.0001707300000000 ] - [ 0.0003307700000000, 0.0020988200000000, 0.0001604300000000 ] - [ 0.0003303400000000, -0.0022620000000000, 0.0001594600000000 ] - [ 0.0001817400000000, -0.0000928900000000, -0.0010958600000000 ] - [ 0.0000088000000000, -0.0000794700000000, 0.0024043700000000 ] - [ -0.0051865600000000, -0.0046824400000000, -0.0024049300000000 ] - [ 0.0061297800000000, -0.0046544300000000, 0.0024492600000000 ] - [ -0.0000329100000000, 0.0206130900000000, -0.0001637500000000 ] - [ -0.0000515000000000, -0.0065809400000000, -0.0000857100000000 ] - [ -0.0000051200000000, 0.0032268600000000, -0.0002173400000000 ] - [ -0.0000001900000000, -0.0032941500000000, -0.0001817100000000 ] - [ -0.0022202500000000, 0.0004630400000000, -0.0005205600000000 ] - [ 0.0013289000000000, 0.0004528700000000, 0.0009330800000000 ] - [ 0.0023370300000000, -0.0023427100000000, 0.0002269700000000 ] - [ -0.0029079100000000, 0.0030611900000000, -0.0003334500000000 ] - [ -0.0024197500000000, -0.0021571200000000, -0.0005026700000000 ] - [ 0.0028306000000000, 0.0032719800000000, 0.0000644600000000 ] - [ -0.0000693400000000, -0.0521742300000000, -0.0001484500000000 ] - [ -0.0000676800000000, 0.0060095300000000, -0.0001969000000000 ] - [ 0.0000985400000000, -0.0004052000000000, 0.0003891600000000 ] - [ 0.0001003200000000, 0.0005378900000000, 0.0004028900000000 ] - [ -0.0002652400000000, 0.0014144100000000, -0.0000035500000000 ] - [ -0.0002692800000000, 0.0005431700000000, 0.0001084300000000 ] - [ 0.0001740300000000, 0.0007044000000000, -0.0012041400000000 ] - [ -0.0001670800000000, 0.0007012600000000, 0.0003450400000000 ] - [ -0.0130895100000000, 0.0077101600000000, 0.0163820800000000 ] - [ -0.0002803700000000, 0.0029521600000000, -0.0006807700000000 ] - [ 0.0015876100000000, -0.0013507100000000, -0.0000756300000000 ] - [ -0.0020354900000000, 0.0019093200000000, -0.0000193400000000 ] - [ 0.0067635600000000, 0.0020155800000000, 0.0102691800000000 ] - [ 0.0000848800000000, 0.0023456500000000, -0.0012538000000000 ] - [ -0.0016595700000000, -0.0015402700000000, -0.0001875500000000 ] - [ 0.0019489900000000, 0.0016894900000000, -0.0002408900000000 ] - [ 0.0133296800000000, 0.0078870300000000, -0.0164821200000000 ] - [ 0.0005132000000000, 0.0030216100000000, 0.0004927400000000 ] - [ -0.0003469700000000, -0.0006473900000000, 0.0000532900000000 ] - [ -0.0000409300000000, 0.0002009900000000, -0.0000623300000000 ] - [ -0.0001224400000000, 0.0003310700000000, -0.0021078300000000 ] - [ 0.0005413100000000, 0.0003269300000000, 0.0019834800000000 ] - [ -0.0000923200000000, -0.0001920500000000, -0.0000791800000000 ] - [ -0.0003826500000000, 0.0006415800000000, 0.0000404300000000 ] - [ -0.0071800400000000, 0.0024895100000000, -0.0100698000000000 ] - [ -0.0004742600000000, 0.0027126400000000, 0.0014182800000000 ] - [ -0.0003365500000000, -0.0006083000000000, 0.0001434100000000 ] - [ 0.0003838200000000, 0.0005116900000000, 0.0002475300000000 ] - [ 0.0002446700000000, -0.0003526100000000, 0.0002270600000000 ] - [ -0.0004828300000000, 0.0007753500000000, 0.0001228400000000 ] - [ -0.0004507500000000, -0.0003672200000000, 0.0002095700000000 ] - [ -0.0004549500000000, 0.0005057000000000, 0.0001977600000000 ] - [ 0.0012224200000000, -0.0011402200000000, 0.0000163500000000 ] - [ -0.0016113300000000, 0.0014100000000000, -0.0003687500000000 ] - [ -0.0012966300000000, -0.0009309200000000, -0.0002926300000000 ] - [ 0.0015373400000000, 0.0016090700000000, 0.0000943000000000 ] - [ -0.0000890600000000, 0.0000319800000000, -0.0001110400000000 ] - [ -0.0000424800000000, 0.0000276700000000, -0.0002916300000000 ] - [ 0.0027113400000000, 0.0013176900000000, 0.0011425900000000 ] - [ -0.0025400400000000, 0.0013009100000000, -0.0003387000000000 ] - [ 0.0001005000000000, 0.0004798600000000, 0.0026540600000000 ] - [ -0.0006374700000000, 0.0004784300000000, -0.0024819300000000 ] - [ 0.0000013600000000, -0.0002401600000000, -0.0004275300000000 ] - [ 0.0000012100000000, 0.0002988000000000, -0.0004320700000000 ] - [ 0.0002846000000000, -0.0004711300000000, -0.0000822600000000 ] - [ -0.0001284600000000, 0.0004728300000000, -0.0001712800000000 ] - [ 0.0015796600000000, -0.0015073600000000, -0.0003340400000000 ] - [ -0.0019454500000000, 0.0026241300000000, -0.0001644800000000 ] - [ -0.0004910300000000, -0.0007428000000000, 0.0002291000000000 ] - [ 0.0002389300000000, 0.0004403600000000, -0.0000108300000000 ] - [ -0.0016782100000000, -0.0017399500000000, 0.0000819800000000 ] - [ 0.0018459500000000, 0.0024084400000000, -0.0000971600000000 ] - [ -0.0000247100000000, -0.0003932600000000, -0.0001344400000000 ] - [ 0.0003880500000000, 0.0005520600000000, -0.0000439100000000 ] - [ 0.0102846600000000, 0.0052034300000000, 0.0159159400000000 ] - [ 0.0000231900000000, 0.0025372500000000, -0.0011347100000000 ] - [ 0.0002081300000000, 0.0007914100000000, 0.0000015100000000 ] - [ 0.0002100700000000, 0.0005685800000000, -0.0000758500000000 ] - [ -0.0107493000000000, 0.0055693000000000, -0.0160651500000000 ] - [ -0.0004727900000000, 0.0029839100000000, 0.0010904400000000 ] - [ 0.0000810500000000, -0.0003731200000000, -0.0000876400000000 ] - [ -0.0006624000000000, 0.0008253000000000, 0.0001506600000000 ] - [ 0.0070063800000000, 0.0026659100000000, -0.0088670900000000 ] - [ 0.0005640300000000, 0.0025460800000000, 0.0013168000000000 ] - [ -0.0070721900000000, 0.0029767700000000, 0.0091718300000000 ] - [ -0.0006311500000000, 0.0027986800000000, -0.0009717800000000 ]- atom: 39 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0002493500000000, 0.0007353700000000, -0.0001433000000000 ] - [ 0.0002493500000000, -0.0007353700000000, -0.0001433000000000 ] - [ -0.0006861100000000, 0.0000000000000000, -0.0007559700000000 ] - [ 0.0004960900000000, 0.0000000000000000, -0.0001114700000000 ] - [ -0.0049810900000000, 0.0000000000000000, 0.0138953000000000 ] - [ -0.0000107200000000, 0.0000000000000000, 0.0017856000000000 ] - [ -0.0024349400000000, -0.0031652200000000, 0.0113442000000000 ] - [ -0.0024349400000000, 0.0031652200000000, 0.0113442000000000 ] - [ 0.0138398200000000, -0.0086797000000000, -0.0020604800000000 ] - [ 0.0138398200000000, 0.0086797000000000, -0.0020604800000000 ] - [ 0.0127427600000000, 0.0109692800000000, -0.0016891800000000 ] - [ 0.0127427600000000, -0.0109692800000000, -0.0016891800000000 ] - [ 0.0059441900000000, 0.0000000000000000, 0.0248828100000000 ] - [ -0.0003628700000000, 0.0000000000000000, 0.0012493500000000 ] - [ 0.0029270600000000, 0.0000000000000000, -0.0142318000000000 ] - [ 0.0022411500000000, 0.0000000000000000, -0.0006248200000000 ] - [ -0.0013770200000000, 0.0010820700000000, -0.0017359700000000 ] - [ -0.0013770200000000, -0.0010820700000000, -0.0017359700000000 ] - [ -0.0059300200000000, 0.0050756900000000, 0.0028962800000000 ] - [ -0.0059300200000000, -0.0050756900000000, 0.0028962800000000 ] - [ -0.0020391600000000, 0.0000000000000000, -0.0015169100000000 ] - [ -0.0025996000000000, 0.0000000000000000, 0.0001774600000000 ] - [ -0.0012158400000000, 0.0000000000000000, -0.0016328500000000 ] - [ -0.0009674100000000, 0.0000000000000000, 0.0000553100000000 ] - [ -0.0011150300000000, -0.0011667800000000, -0.0014022500000000 ] - [ -0.0011150300000000, 0.0011667800000000, -0.0014022500000000 ] - [ -0.0068061800000000, -0.0063603000000000, 0.0028265200000000 ] - [ -0.0068061800000000, 0.0063603000000000, 0.0028265200000000 ] - [ -0.0079521300000000, 0.0000000000000000, -0.0155997800000000 ] - [ -0.0004705100000000, 0.0000000000000000, -0.0004649500000000 ] - [ 0.0041214900000000, 0.0000000000000000, -0.0163115400000000 ] - [ 0.0032502300000000, 0.0000000000000000, -0.0008008400000000 ] - [ -0.0013081900000000, 0.0001824200000000, -0.0046990300000000 ] - [ -0.0013081900000000, -0.0001824200000000, -0.0046990300000000 ] - [ -0.0049640300000000, 0.0020883800000000, 0.0011442900000000 ] - [ -0.0029307100000000, 0.0029814800000000, -0.0009523200000000 ] - [ -0.0049640300000000, -0.0020883800000000, 0.0011442900000000 ] - [ -0.0029307100000000, -0.0029814800000000, -0.0009523200000000 ] - [ 0.0326698700000000, 0.0000000000000000, -0.1529583000000000 ] - [ -0.0000014600000000, 0.0000000000000000, -0.0016942900000000 ] - [ 0.0005910100000000, 0.0000000000000000, 0.0037671800000000 ] - [ 0.0000615200000000, 0.0000000000000000, 0.0001694700000000 ] - [ -0.0080138900000000, 0.0000000000000000, 0.0317300000000000 ] - [ -0.0003752400000000, 0.0000000000000000, 0.0011995400000000 ] - [ -0.0019349900000000, -0.0000947700000000, 0.0065453100000000 ] - [ -0.0019349900000000, 0.0000947700000000, 0.0065453100000000 ] - [ -0.0220630100000000, 0.0271981600000000, 0.0185039700000000 ] - [ 0.0005381200000000, -0.0014941600000000, -0.0009891300000000 ] - [ -0.0038001500000000, 0.0031580400000000, 0.0007397700000000 ] - [ -0.0024149100000000, 0.0016037500000000, -0.0003622100000000 ] - [ 0.0112547400000000, 0.0114896300000000, -0.0013202200000000 ] - [ -0.0004067000000000, -0.0010389300000000, -0.0004837400000000 ] - [ -0.0038001500000000, -0.0031580400000000, 0.0007397700000000 ] - [ -0.0024149100000000, -0.0016037500000000, -0.0003622100000000 ] - [ -0.0220630100000000, -0.0271981600000000, 0.0185039700000000 ] - [ 0.0005381200000000, 0.0014941600000000, -0.0009891300000000 ] - [ 0.0008499600000000, 0.0009214400000000, 0.0008256100000000 ] - [ -0.0006005900000000, -0.0006681100000000, 0.0000844100000000 ] - [ 0.0007441200000000, -0.0004797500000000, 0.0011258500000000 ] - [ 0.0007441200000000, 0.0004797500000000, 0.0011258500000000 ] - [ 0.0008499600000000, -0.0009214400000000, 0.0008256100000000 ] - [ -0.0006005900000000, 0.0006681100000000, 0.0000844100000000 ] - [ 0.0112547400000000, -0.0114896300000000, -0.0013202200000000 ] - [ -0.0004067000000000, 0.0010389300000000, -0.0004837400000000 ] - [ 0.0008064200000000, 0.0003291900000000, 0.0003553900000000 ] - [ 0.0006829800000000, 0.0005357600000000, 0.0002511500000000 ] - [ 0.0008064200000000, -0.0003291900000000, 0.0003553900000000 ] - [ 0.0006829800000000, -0.0005357600000000, 0.0002511500000000 ] - [ -0.0014044900000000, 0.0000000000000000, 0.0045812400000000 ] - [ -0.0005030800000000, 0.0000000000000000, -0.0007215900000000 ] - [ 0.0008997400000000, -0.0002885800000000, -0.0003166700000000 ] - [ 0.0011044000000000, -0.0011801300000000, -0.0006872200000000 ] - [ 0.0008997400000000, 0.0002885800000000, -0.0003166700000000 ] - [ 0.0011044000000000, 0.0011801300000000, -0.0006872200000000 ] - [ 0.0003438200000000, -0.0000859300000000, 0.0006224200000000 ] - [ 0.0003438200000000, 0.0000859300000000, 0.0006224200000000 ] - [ -0.0000077100000000, -0.0009420500000000, -0.0045603100000000 ] - [ -0.0000077100000000, 0.0009420500000000, -0.0045603100000000 ] - [ 0.0003321200000000, 0.0004708700000000, 0.0017313700000000 ] - [ 0.0003321200000000, -0.0004708700000000, 0.0017313700000000 ] - [ 0.0001975600000000, 0.0000000000000000, 0.0010899100000000 ] - [ 0.0001768100000000, 0.0000000000000000, 0.0000301600000000 ] - [ 0.0009574700000000, -0.0005470200000000, 0.0001561300000000 ] - [ 0.0007257900000000, -0.0003991800000000, 0.0000377700000000 ] - [ 0.0011767400000000, -0.0012178200000000, -0.0013677200000000 ] - [ 0.0015348300000000, -0.0019354800000000, -0.0009424100000000 ] - [ 0.0008745800000000, 0.0007939800000000, 0.0009342600000000 ] - [ -0.0009302500000000, -0.0009063900000000, 0.0001663500000000 ] - [ 0.0011767400000000, 0.0012178200000000, -0.0013677200000000 ] - [ 0.0015348300000000, 0.0019354800000000, -0.0009424100000000 ] - [ 0.0009574700000000, 0.0005470200000000, 0.0001561300000000 ] - [ 0.0007257900000000, 0.0003991800000000, 0.0000377700000000 ] - [ 0.0169678300000000, 0.0153981200000000, 0.0041709000000000 ] - [ 0.0000327700000000, -0.0011324300000000, -0.0006392200000000 ] - [ -0.0001310700000000, 0.0000000000000000, 0.0379218500000000 ] - [ 0.0000140400000000, 0.0000000000000000, 0.0016737000000000 ] - [ 0.0169678300000000, -0.0153981200000000, 0.0041709000000000 ] - [ 0.0000327700000000, 0.0011324300000000, -0.0006392200000000 ] - [ 0.0008745800000000, -0.0007939800000000, 0.0009342600000000 ] - [ -0.0009302500000000, 0.0009063900000000, 0.0001663500000000 ] - [ -0.0181520100000000, -0.0201076900000000, 0.0115189600000000 ] - [ 0.0000298700000000, 0.0011189900000000, -0.0000214200000000 ] - [ -0.0181520100000000, 0.0201076900000000, 0.0115189600000000 ] - [ 0.0000298700000000, -0.0011189900000000, -0.0000214200000000 ]- atom: 39 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0000599600000000, -0.0007310200000000, -0.0001770600000000 ] - [ 0.0000599600000000, 0.0007310200000000, -0.0001770600000000 ] - [ 0.0017239100000000, 0.0000000000000000, 0.0008827700000000 ] - [ 0.0005609200000000, 0.0000000000000000, 0.0002318800000000 ] - [ 0.0045708500000000, 0.0000000000000000, -0.0141854100000000 ] - [ 0.0003003400000000, 0.0000000000000000, -0.0020886400000000 ] - [ 0.0034976500000000, 0.0029059700000000, -0.0112700100000000 ] - [ 0.0034976500000000, -0.0029059700000000, -0.0112700100000000 ] - [ -0.0143168600000000, 0.0088024000000000, 0.0016936900000000 ] - [ -0.0143168600000000, -0.0088024000000000, 0.0016936900000000 ] - [ -0.0120972600000000, -0.0109382800000000, 0.0020557600000000 ] - [ -0.0120972600000000, 0.0109382800000000, 0.0020557600000000 ] - [ -0.0048360500000000, 0.0000000000000000, -0.0207992700000000 ] - [ 0.0005277900000000, 0.0000000000000000, 0.0000836900000000 ] - [ -0.0020054100000000, 0.0000000000000000, 0.0142179100000000 ] - [ -0.0013365400000000, 0.0000000000000000, 0.0006581600000000 ] - [ 0.0012677300000000, -0.0010835400000000, 0.0015423700000000 ] - [ 0.0012677300000000, 0.0010835400000000, 0.0015423700000000 ] - [ 0.0059994400000000, -0.0051253600000000, -0.0032854400000000 ] - [ 0.0059994400000000, 0.0051253600000000, -0.0032854400000000 ] - [ 0.0016422600000000, 0.0000000000000000, 0.0011891100000000 ] - [ 0.0022171300000000, 0.0000000000000000, -0.0005225100000000 ] - [ 0.0019024400000000, 0.0000000000000000, 0.0019397900000000 ] - [ 0.0016458500000000, 0.0000000000000000, 0.0002549300000000 ] - [ 0.0013197000000000, 0.0011784300000000, 0.0026891300000000 ] - [ 0.0013197000000000, -0.0011784300000000, 0.0026891300000000 ] - [ 0.0077233700000000, 0.0063633700000000, -0.0028365300000000 ] - [ 0.0077233700000000, -0.0063633700000000, -0.0028365300000000 ] - [ 0.0079538300000000, 0.0000000000000000, 0.0134675700000000 ] - [ 0.0004019100000000, 0.0000000000000000, 0.0002219200000000 ] - [ -0.0041256400000000, 0.0000000000000000, 0.0161032800000000 ] - [ -0.0032437500000000, 0.0000000000000000, 0.0004245400000000 ] - [ 0.0003910900000000, -0.0001852700000000, 0.0051709700000000 ] - [ 0.0003910900000000, 0.0001852700000000, 0.0051709700000000 ] - [ 0.0049130800000000, -0.0023000900000000, -0.0014414400000000 ] - [ 0.0028428800000000, -0.0031629800000000, 0.0006709300000000 ] - [ 0.0049130800000000, 0.0023000900000000, -0.0014414400000000 ] - [ 0.0028428800000000, 0.0031629800000000, 0.0006709300000000 ] - [ -0.0328484200000000, 0.0000000000000000, 0.1521131300000000 ] - [ -0.0001133400000000, 0.0000000000000000, 0.0012905500000000 ] - [ -0.0004089100000000, 0.0000000000000000, -0.0029605100000000 ] - [ 0.0001251200000000, 0.0000000000000000, 0.0006362900000000 ] - [ 0.0073268000000000, 0.0000000000000000, -0.0314467000000000 ] - [ -0.0001576200000000, 0.0000000000000000, -0.0010370400000000 ] - [ 0.0019503800000000, 0.0000900200000000, -0.0074444700000000 ] - [ 0.0019503800000000, -0.0000900200000000, -0.0074444700000000 ] - [ 0.0221200200000000, -0.0269131800000000, -0.0185298700000000 ] - [ -0.0002535900000000, 0.0014101700000000, 0.0007622400000000 ] - [ 0.0037217200000000, -0.0029512000000000, -0.0009942200000000 ] - [ 0.0023593900000000, -0.0014216200000000, 0.0001033400000000 ] - [ -0.0116919400000000, -0.0118755200000000, 0.0013152200000000 ] - [ -0.0000170200000000, 0.0006717200000000, 0.0006129100000000 ] - [ 0.0037217200000000, 0.0029512000000000, -0.0009942200000000 ] - [ 0.0023593900000000, 0.0014216200000000, 0.0001033400000000 ] - [ 0.0221200200000000, 0.0269131800000000, -0.0185298700000000 ] - [ -0.0002535900000000, -0.0014101700000000, 0.0007622400000000 ] - [ -0.0012736400000000, -0.0013580900000000, -0.0008541000000000 ] - [ 0.0001786600000000, 0.0002298200000000, -0.0001150700000000 ] - [ -0.0003317300000000, 0.0004841500000000, -0.0012732700000000 ] - [ -0.0003317300000000, -0.0004841500000000, -0.0012732700000000 ] - [ -0.0012736400000000, 0.0013580900000000, -0.0008541000000000 ] - [ 0.0001786600000000, -0.0002298200000000, -0.0001150700000000 ] - [ -0.0116919400000000, 0.0118755200000000, 0.0013152200000000 ] - [ -0.0000170200000000, -0.0006717200000000, 0.0006129100000000 ] - [ -0.0008972100000000, -0.0005905000000000, 0.0000123500000000 ] - [ -0.0007777000000000, -0.0008004000000000, 0.0001195500000000 ] - [ -0.0008972100000000, 0.0005905000000000, 0.0000123500000000 ] - [ -0.0007777000000000, 0.0008004000000000, 0.0001195500000000 ] - [ 0.0005075200000000, 0.0000000000000000, -0.0042350300000000 ] - [ -0.0004058000000000, 0.0000000000000000, 0.0011221400000000 ] - [ -0.0009904700000000, 0.0000874600000000, 0.0000420700000000 ] - [ -0.0011937900000000, 0.0009832500000000, 0.0004126100000000 ] - [ -0.0009904700000000, -0.0000874600000000, 0.0000420700000000 ] - [ -0.0011937900000000, -0.0009832500000000, 0.0004126100000000 ] - [ -0.0004631500000000, 0.0000848900000000, -0.0010262800000000 ] - [ -0.0004631500000000, -0.0000848900000000, -0.0010262800000000 ] - [ 0.0002167300000000, 0.0009515100000000, 0.0053574800000000 ] - [ 0.0002167300000000, -0.0009515100000000, 0.0053574800000000 ] - [ -0.0008676900000000, -0.0004688900000000, -0.0015255600000000 ] - [ -0.0008676900000000, 0.0004688900000000, -0.0015255600000000 ] - [ -0.0001910800000000, 0.0000000000000000, -0.0019573100000000 ] - [ -0.0001721900000000, 0.0000000000000000, -0.0008952000000000 ] - [ -0.0007053700000000, 0.0004755100000000, -0.0003630900000000 ] - [ -0.0004726400000000, 0.0003281500000000, -0.0002442100000000 ] - [ -0.0012530400000000, 0.0014313000000000, 0.0011167200000000 ] - [ -0.0016228000000000, 0.0021487700000000, 0.0006903000000000 ] - [ -0.0013102400000000, -0.0011887900000000, -0.0008003200000000 ] - [ 0.0005115900000000, 0.0005260300000000, -0.0000274400000000 ] - [ -0.0012530400000000, -0.0014313000000000, 0.0011167200000000 ] - [ -0.0016228000000000, -0.0021487700000000, 0.0006903000000000 ] - [ -0.0007053700000000, -0.0004755100000000, -0.0003630900000000 ] - [ -0.0004726400000000, -0.0003281500000000, -0.0002442100000000 ] - [ -0.0175438900000000, -0.0159484300000000, -0.0040496600000000 ] - [ -0.0004606300000000, 0.0006822600000000, 0.0006270700000000 ] - [ 0.0005780200000000, 0.0000000000000000, -0.0385793900000000 ] - [ 0.0004011300000000, 0.0000000000000000, -0.0017854700000000 ] - [ -0.0175438900000000, 0.0159484300000000, -0.0040496600000000 ] - [ -0.0004606300000000, -0.0006822600000000, 0.0006270700000000 ] - [ -0.0013102400000000, 0.0011887900000000, -0.0008003200000000 ] - [ 0.0005115900000000, -0.0005260300000000, -0.0000274400000000 ] - [ 0.0183523300000000, 0.0202282200000000, -0.0113210600000000 ] - [ -0.0001556000000000, -0.0014018900000000, 0.0004118000000000 ] - [ 0.0183523300000000, -0.0202282200000000, -0.0113210600000000 ] - [ -0.0001556000000000, 0.0014018900000000, 0.0004118000000000 ]- atom: 41 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0083589400000000, -0.0018107200000000, 0.0006322400000000 ] - [ 0.0083589400000000, 0.0018107200000000, 0.0006322400000000 ] - [ 0.0033384400000000, 0.0000000000000000, 0.0007216000000000 ] - [ 0.0010315700000000, 0.0000000000000000, 0.0002446100000000 ] - [ -0.0015206100000000, 0.0000000000000000, -0.0006445900000000 ] - [ -0.0005874400000000, 0.0000000000000000, -0.0005945600000000 ] - [ -0.0005708100000000, -0.0002043100000000, -0.0002023700000000 ] - [ -0.0005708100000000, 0.0002043100000000, -0.0002023700000000 ] - [ -0.0059761000000000, -0.0057856900000000, -0.0017372100000000 ] - [ -0.0059761000000000, 0.0057856900000000, -0.0017372100000000 ] - [ -0.0017652000000000, 0.0000520700000000, -0.0022234600000000 ] - [ -0.0017652000000000, -0.0000520700000000, -0.0022234600000000 ] - [ -0.0011816000000000, 0.0000000000000000, -0.0026539100000000 ] - [ -0.0009498900000000, 0.0000000000000000, 0.0008124200000000 ] - [ 0.0176916000000000, 0.0000000000000000, -0.0061860000000000 ] - [ 0.0038308300000000, 0.0000000000000000, 0.0007773400000000 ] - [ -0.0020554600000000, 0.0056584800000000, 0.0042274100000000 ] - [ -0.0020554600000000, -0.0056584800000000, 0.0042274100000000 ] - [ -0.0029450700000000, -0.0050589300000000, 0.0040376900000000 ] - [ -0.0029450700000000, 0.0050589300000000, 0.0040376900000000 ] - [ -0.0034616600000000, 0.0000000000000000, 0.0040543000000000 ] - [ -0.0015542600000000, 0.0000000000000000, -0.0000056000000000 ] - [ 0.0172588200000000, 0.0000000000000000, 0.0097572800000000 ] - [ 0.0036612700000000, 0.0000000000000000, 0.0010528900000000 ] - [ -0.0019851800000000, 0.0054198000000000, -0.0014615700000000 ] - [ -0.0019851800000000, -0.0054198000000000, -0.0014615700000000 ] - [ -0.0011452600000000, 0.0003767600000000, -0.0023085600000000 ] - [ -0.0011452600000000, -0.0003767600000000, -0.0023085600000000 ] - [ -0.0027794200000000, 0.0000000000000000, -0.0023399500000000 ] - [ -0.0024775000000000, 0.0000000000000000, -0.0011922000000000 ] - [ -0.0047867600000000, 0.0000000000000000, -0.0035136000000000 ] - [ -0.0030473400000000, 0.0000000000000000, -0.0014054900000000 ] - [ 0.0002863800000000, 0.0009657300000000, -0.0005141000000000 ] - [ 0.0002863800000000, -0.0009657300000000, -0.0005141000000000 ] - [ 0.0017738400000000, -0.0014203800000000, 0.0002444600000000 ] - [ 0.0011298600000000, -0.0009529300000000, 0.0001182100000000 ] - [ 0.0017738400000000, 0.0014203800000000, 0.0002444600000000 ] - [ 0.0011298600000000, 0.0009529300000000, 0.0001182100000000 ] - [ 0.0008899600000000, 0.0000000000000000, 0.0010667100000000 ] - [ 0.0003814200000000, 0.0000000000000000, 0.0000663200000000 ] - [ -0.0696808500000000, 0.0000000000000000, -0.0084430900000000 ] - [ -0.0007881200000000, 0.0000000000000000, -0.0001513400000000 ] - [ 0.0011956000000000, 0.0000000000000000, 0.0093655500000000 ] - [ -0.0003625200000000, 0.0000000000000000, -0.0004807400000000 ] - [ 0.0005875400000000, 0.0004652900000000, 0.0024396300000000 ] - [ 0.0005875400000000, -0.0004652900000000, 0.0024396300000000 ] - [ 0.0011438200000000, -0.0005799200000000, 0.0002700900000000 ] - [ 0.0007107300000000, -0.0002197600000000, 0.0000615600000000 ] - [ 0.0064706400000000, -0.0106289200000000, 0.0100713400000000 ] - [ -0.0013459600000000, 0.0016528400000000, -0.0002746500000000 ] - [ -0.0001688600000000, -0.0007077400000000, 0.0000189000000000 ] - [ 0.0007635300000000, 0.0007291400000000, -0.0002498100000000 ] - [ 0.0064706400000000, 0.0106289200000000, 0.0100713400000000 ] - [ -0.0013459600000000, -0.0016528400000000, -0.0002746500000000 ] - [ 0.0011438200000000, 0.0005799200000000, 0.0002700900000000 ] - [ 0.0007107300000000, 0.0002197600000000, 0.0000615600000000 ] - [ 0.0017764900000000, 0.0095168200000000, -0.0137027400000000 ] - [ -0.0017781100000000, -0.0015339300000000, -0.0001631100000000 ] - [ 0.0007822600000000, -0.0000698300000000, -0.0053183000000000 ] - [ 0.0007822600000000, 0.0000698300000000, -0.0053183000000000 ] - [ 0.0017764900000000, -0.0095168200000000, -0.0137027400000000 ] - [ -0.0017781100000000, 0.0015339300000000, -0.0001631100000000 ] - [ -0.0001688600000000, 0.0007077400000000, 0.0000189000000000 ] - [ 0.0007635300000000, -0.0007291400000000, -0.0002498100000000 ] - [ 0.0014588900000000, -0.0011756700000000, -0.0019385800000000 ] - [ 0.0009126800000000, 0.0011746400000000, 0.0000355300000000 ] - [ 0.0014588900000000, 0.0011756700000000, -0.0019385800000000 ] - [ 0.0009126800000000, -0.0011746400000000, 0.0000355300000000 ] - [ 0.0034604200000000, 0.0000000000000000, 0.0001352400000000 ] - [ 0.0000115500000000, 0.0000000000000000, 0.0006934100000000 ] - [ 0.0048040800000000, -0.0084059100000000, -0.0098213400000000 ] - [ -0.0015734700000000, 0.0014143900000000, -0.0003261800000000 ] - [ 0.0048040800000000, 0.0084059100000000, -0.0098213400000000 ] - [ -0.0015734700000000, -0.0014143900000000, -0.0003261800000000 ] - [ -0.0002570800000000, -0.0026349600000000, -0.0004447800000000 ] - [ -0.0002570800000000, 0.0026349600000000, -0.0004447800000000 ] - [ 0.0006648100000000, -0.0000356500000000, 0.0012991800000000 ] - [ 0.0006648100000000, 0.0000356500000000, 0.0012991800000000 ] - [ -0.0000460300000000, -0.0004459000000000, 0.0026091800000000 ] - [ -0.0000460300000000, 0.0004459000000000, 0.0026091800000000 ] - [ 0.0016270100000000, 0.0000000000000000, -0.0066031600000000 ] - [ -0.0000787600000000, 0.0000000000000000, -0.0012374000000000 ] - [ 0.0012637300000000, -0.0084438800000000, 0.0127126500000000 ] - [ -0.0013912300000000, 0.0011933200000000, -0.0001541100000000 ] - [ 0.0009673600000000, -0.0004797600000000, -0.0001333800000000 ] - [ 0.0004668100000000, -0.0000521100000000, 0.0000816100000000 ] - [ 0.0015493600000000, -0.0012766400000000, 0.0020172800000000 ] - [ 0.0011509800000000, 0.0014442100000000, 0.0002223400000000 ] - [ 0.0009673600000000, 0.0004797600000000, -0.0001333800000000 ] - [ 0.0004668100000000, 0.0000521100000000, 0.0000816100000000 ] - [ 0.0012637300000000, 0.0084438800000000, 0.0127126500000000 ] - [ -0.0013912300000000, -0.0011933200000000, -0.0001541100000000 ] - [ 0.0008544200000000, 0.0002604600000000, 0.0003152400000000 ] - [ 0.0008452600000000, 0.0003680500000000, 0.0002016700000000 ] - [ 0.0006891000000000, 0.0000000000000000, 0.0023933900000000 ] - [ 0.0004985100000000, 0.0000000000000000, 0.0013925400000000 ] - [ 0.0008544200000000, -0.0002604600000000, 0.0003152400000000 ] - [ 0.0008452600000000, -0.0003680500000000, 0.0002016700000000 ] - [ 0.0015493600000000, 0.0012766400000000, 0.0020172800000000 ] - [ 0.0011509800000000, -0.0014442100000000, 0.0002223400000000 ] - [ 0.0014677700000000, 0.0005427800000000, 0.0004471900000000 ] - [ 0.0016589400000000, 0.0014118700000000, 0.0003698400000000 ] - [ 0.0014677700000000, -0.0005427800000000, 0.0004471900000000 ] - [ 0.0016589400000000, -0.0014118700000000, 0.0003698400000000 ]- atom: 41 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0080168000000000, 0.0017220900000000, -0.0009412500000000 ] - [ -0.0080168000000000, -0.0017220900000000, -0.0009412500000000 ] - [ -0.0012313000000000, 0.0000000000000000, -0.0006086200000000 ] - [ 0.0000275900000000, 0.0000000000000000, -0.0001196400000000 ] - [ 0.0017960000000000, 0.0000000000000000, 0.0003517200000000 ] - [ 0.0008909500000000, 0.0000000000000000, 0.0002855100000000 ] - [ 0.0016112400000000, 0.0002003900000000, 0.0003349800000000 ] - [ 0.0016112400000000, -0.0002003900000000, 0.0003349800000000 ] - [ 0.0055942600000000, 0.0057958900000000, 0.0013831400000000 ] - [ 0.0055942600000000, -0.0057958900000000, 0.0013831400000000 ] - [ 0.0024032100000000, -0.0000511500000000, 0.0025527300000000 ] - [ 0.0024032100000000, 0.0000511500000000, 0.0025527300000000 ] - [ 0.0013588400000000, 0.0000000000000000, 0.0038843200000000 ] - [ 0.0011359500000000, 0.0000000000000000, 0.0004945300000000 ] - [ -0.0166211000000000, 0.0000000000000000, 0.0061974400000000 ] - [ -0.0029014300000000, 0.0000000000000000, -0.0007739300000000 ] - [ 0.0019893200000000, -0.0056404800000000, -0.0044313300000000 ] - [ 0.0019893200000000, 0.0056404800000000, -0.0044313300000000 ] - [ 0.0029398800000000, 0.0050477800000000, -0.0044036600000000 ] - [ 0.0029398800000000, -0.0050477800000000, -0.0044036600000000 ] - [ 0.0030434300000000, 0.0000000000000000, -0.0043006800000000 ] - [ 0.0011724500000000, 0.0000000000000000, -0.0003503600000000 ] - [ -0.0165857700000000, 0.0000000000000000, -0.0093564500000000 ] - [ -0.0029968500000000, 0.0000000000000000, -0.0007093800000000 ] - [ 0.0022229600000000, -0.0054043800000000, 0.0027451900000000 ] - [ 0.0022229600000000, 0.0054043800000000, 0.0027451900000000 ] - [ 0.0020590600000000, -0.0003703100000000, 0.0023165700000000 ] - [ 0.0020590600000000, 0.0003703100000000, 0.0023165700000000 ] - [ 0.0026827500000000, 0.0000000000000000, 0.0020819200000000 ] - [ 0.0023820700000000, 0.0000000000000000, 0.0009485400000000 ] - [ 0.0047458000000000, 0.0000000000000000, 0.0031072700000000 ] - [ 0.0030454300000000, 0.0000000000000000, 0.0010389600000000 ] - [ -0.0011868100000000, -0.0009644500000000, 0.0009266000000000 ] - [ -0.0011868100000000, 0.0009644500000000, 0.0009266000000000 ] - [ -0.0018431300000000, 0.0012059100000000, -0.0005107300000000 ] - [ -0.0012096200000000, 0.0007474000000000, -0.0003860600000000 ] - [ -0.0018431300000000, -0.0012059100000000, -0.0005107300000000 ] - [ -0.0012096200000000, -0.0007474000000000, -0.0003860600000000 ] - [ -0.0009997500000000, 0.0000000000000000, -0.0014393800000000 ] - [ -0.0004956500000000, 0.0000000000000000, -0.0004657000000000 ] - [ 0.0687937500000000, 0.0000000000000000, 0.0092229500000000 ] - [ 0.0009687400000000, 0.0000000000000000, 0.0009453500000000 ] - [ -0.0017601100000000, 0.0000000000000000, -0.0089950000000000 ] - [ -0.0001743300000000, 0.0000000000000000, 0.0006714300000000 ] - [ -0.0005813900000000, -0.0004646500000000, -0.0032956500000000 ] - [ -0.0005813900000000, 0.0004646500000000, -0.0032956500000000 ] - [ -0.0008693300000000, 0.0004909700000000, -0.0004674400000000 ] - [ -0.0004441000000000, 0.0001383800000000, -0.0002636100000000 ] - [ -0.0065534700000000, 0.0109081400000000, -0.0104145100000000 ] - [ 0.0012566800000000, -0.0014446000000000, 0.0000135800000000 ] - [ -0.0002486800000000, 0.0003167900000000, 0.0001337900000000 ] - [ -0.0011718000000000, -0.0011082200000000, 0.0003983300000000 ] - [ -0.0065534700000000, -0.0109081400000000, -0.0104145100000000 ] - [ 0.0012566800000000, 0.0014446000000000, 0.0000135800000000 ] - [ -0.0008693300000000, -0.0004909700000000, -0.0004674400000000 ] - [ -0.0004441000000000, -0.0001383800000000, -0.0002636100000000 ] - [ -0.0023026300000000, -0.0099319300000000, 0.0135656100000000 ] - [ 0.0013331900000000, 0.0010782300000000, 0.0001309700000000 ] - [ -0.0003640100000000, 0.0000704500000000, 0.0051729700000000 ] - [ -0.0003640100000000, -0.0000704500000000, 0.0051729700000000 ] - [ -0.0023026300000000, 0.0099319300000000, 0.0135656100000000 ] - [ 0.0013331900000000, -0.0010782300000000, 0.0001309700000000 ] - [ -0.0002486800000000, -0.0003167900000000, 0.0001337900000000 ] - [ -0.0011718000000000, 0.0011082200000000, 0.0003983300000000 ] - [ -0.0015288000000000, 0.0008941900000000, 0.0022642100000000 ] - [ -0.0010002500000000, -0.0014337300000000, 0.0003270200000000 ] - [ -0.0015288000000000, -0.0008941900000000, 0.0022642100000000 ] - [ -0.0010002500000000, 0.0014337300000000, 0.0003270200000000 ] - [ -0.0043001200000000, 0.0000000000000000, 0.0002495300000000 ] - [ -0.0009220000000000, 0.0000000000000000, -0.0002962000000000 ] - [ -0.0048731600000000, 0.0082490800000000, 0.0096097600000000 ] - [ 0.0014885300000000, -0.0016143500000000, 0.0000482200000000 ] - [ -0.0048731600000000, -0.0082490800000000, 0.0096097600000000 ] - [ 0.0014885300000000, 0.0016143500000000, 0.0000482200000000 ] - [ 0.0001202100000000, 0.0026106400000000, 0.0000534200000000 ] - [ 0.0001202100000000, -0.0026106400000000, 0.0000534200000000 ] - [ -0.0004772600000000, 0.0000358900000000, -0.0004972700000000 ] - [ -0.0004772600000000, -0.0000358900000000, -0.0004972700000000 ] - [ -0.0004932300000000, 0.0004462400000000, -0.0024101000000000 ] - [ -0.0004932300000000, -0.0004462400000000, -0.0024101000000000 ] - [ -0.0016149500000000, 0.0000000000000000, 0.0055733100000000 ] - [ 0.0000839600000000, 0.0000000000000000, 0.0003724700000000 ] - [ -0.0011029600000000, 0.0083499900000000, -0.0128349000000000 ] - [ 0.0016453800000000, -0.0012737900000000, -0.0000492100000000 ] - [ -0.0010539500000000, 0.0006828400000000, -0.0001394400000000 ] - [ -0.0005593600000000, 0.0002614700000000, -0.0003477300000000 ] - [ -0.0019532300000000, 0.0008661600000000, -0.0018350500000000 ] - [ -0.0015632500000000, -0.0018257500000000, -0.0000721600000000 ] - [ -0.0010539500000000, -0.0006828400000000, -0.0001394400000000 ] - [ -0.0005593600000000, -0.0002614700000000, -0.0003477300000000 ] - [ -0.0011029600000000, -0.0083499900000000, -0.0128349000000000 ] - [ 0.0016453800000000, 0.0012737900000000, -0.0000492100000000 ] - [ -0.0012836000000000, -0.0007077000000000, -0.0003460400000000 ] - [ -0.0012761700000000, -0.0008151900000000, -0.0002363500000000 ] - [ -0.0002672100000000, 0.0000000000000000, -0.0025039200000000 ] - [ -0.0000797900000000, 0.0000000000000000, -0.0015135400000000 ] - [ -0.0012836000000000, 0.0007077000000000, -0.0003460400000000 ] - [ -0.0012761700000000, 0.0008151900000000, -0.0002363500000000 ] - [ -0.0019532300000000, -0.0008661600000000, -0.0018350500000000 ] - [ -0.0015632500000000, 0.0018257500000000, -0.0000721600000000 ] - [ -0.0015510800000000, -0.0008038300000000, -0.0000819300000000 ] - [ -0.0017445300000000, -0.0016753300000000, -0.0000088800000000 ] - [ -0.0015510800000000, 0.0008038300000000, -0.0000819300000000 ] - [ -0.0017445300000000, 0.0016753300000000, -0.0000088800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002077800000000, -0.0157032400000000, 0.0002570800000000 ] - [ 0.0005284600000000, -0.0153716400000000, -0.0005605600000000 ] - [ 0.0005163000000000, 0.0111149700000000, 0.0000665900000000 ] - [ 0.0005050100000000, -0.0030569000000000, 0.0000594200000000 ] - [ 0.0001572000000000, 0.0005105900000000, -0.0001453200000000 ] - [ 0.0001607500000000, -0.0004557900000000, -0.0001515400000000 ] - [ -0.0002875400000000, 0.0000067800000000, 0.0000302800000000 ] - [ 0.0013192600000000, 0.0000099600000000, 0.0001043300000000 ] - [ -0.0049477200000000, -0.0031185600000000, -0.0022674300000000 ] - [ 0.0045696900000000, -0.0030740100000000, 0.0019425200000000 ] - [ 0.0001649400000000, -0.0000830500000000, -0.0011534700000000 ] - [ 0.0004961000000000, -0.0000664900000000, 0.0014655000000000 ] - [ 0.0000918400000000, 0.0028659100000000, 0.0005974000000000 ] - [ 0.0000923200000000, -0.0027358600000000, 0.0006523000000000 ] - [ 0.0004459900000000, 0.0206369200000000, -0.0000342500000000 ] - [ 0.0004685100000000, -0.0063988100000000, 0.0000434600000000 ] - [ 0.0073253200000000, -0.0058835000000000, -0.0008000300000000 ] - [ -0.0074470200000000, -0.0058311600000000, 0.0006086800000000 ] - [ -0.0052134900000000, -0.0034725700000000, -0.0004396700000000 ] - [ 0.0052513800000000, -0.0034348000000000, 0.0000516500000000 ] - [ -0.0001883200000000, 0.0032116400000000, -0.0001457800000000 ] - [ -0.0001925300000000, -0.0033235800000000, -0.0001855200000000 ] - [ 0.0003192100000000, 0.0208857900000000, 0.0002077900000000 ] - [ 0.0003362100000000, -0.0066598200000000, 0.0001324400000000 ] - [ 0.0056271700000000, -0.0046960000000000, 0.0031271300000000 ] - [ -0.0054631600000000, -0.0046662800000000, -0.0018706800000000 ] - [ 0.0003838100000000, -0.0000861700000000, 0.0017836500000000 ] - [ 0.0005428500000000, -0.0000759100000000, -0.0017654600000000 ] - [ -0.0000524600000000, 0.0021411800000000, -0.0001128800000000 ] - [ -0.0000484000000000, -0.0023105600000000, -0.0001079800000000 ] - [ -0.0000061800000000, 0.0022386100000000, -0.0001802700000000 ] - [ -0.0000066800000000, -0.0025643800000000, -0.0001888900000000 ] - [ 0.0012159400000000, 0.0004376600000000, 0.0009512200000000 ] - [ -0.0021410900000000, 0.0004288000000000, -0.0005557100000000 ] - [ 0.0002549600000000, -0.0005914400000000, -0.0000972700000000 ] - [ -0.0004672200000000, 0.0005416500000000, -0.0002092100000000 ] - [ -0.0003339700000000, -0.0003879900000000, -0.0001877600000000 ] - [ 0.0003940900000000, 0.0007526200000000, -0.0000736300000000 ] - [ -0.0000533700000000, -0.0004052300000000, -0.0001894500000000 ] - [ -0.0000561800000000, 0.0005378900000000, -0.0002017900000000 ] - [ 0.0000936200000000, -0.0526718200000000, 0.0003732200000000 ] - [ 0.0000916100000000, 0.0059876300000000, 0.0003950700000000 ] - [ -0.0002720700000000, 0.0014262400000000, 0.0001934900000000 ] - [ -0.0002678300000000, 0.0005474500000000, 0.0000812400000000 ] - [ 0.0003392800000000, 0.0003180200000000, 0.0016438400000000 ] - [ -0.0003259200000000, 0.0003144400000000, -0.0025125700000000 ] - [ 0.0002602000000000, -0.0004562600000000, -0.0001741300000000 ] - [ -0.0000496200000000, 0.0003877100000000, -0.0000447400000000 ] - [ -0.0073886500000000, 0.0026265500000000, -0.0102934100000000 ] - [ -0.0003215400000000, 0.0026387500000000, 0.0012011900000000 ] - [ -0.0018452300000000, -0.0016690500000000, 0.0000226200000000 ] - [ 0.0017797100000000, 0.0016056100000000, -0.0000751300000000 ] - [ 0.0073017700000000, 0.0025124700000000, 0.0099771800000000 ] - [ 0.0002087700000000, 0.0024189600000000, -0.0014789700000000 ] - [ 0.0000095100000000, -0.0003733500000000, -0.0000257500000000 ] - [ 0.0003059600000000, 0.0004538700000000, -0.0001606000000000 ] - [ 0.0127786300000000, 0.0074632300000000, -0.0165970100000000 ] - [ 0.0001696500000000, 0.0027859800000000, 0.0006399200000000 ] - [ 0.0000351300000000, 0.0006906800000000, 0.0005563900000000 ] - [ 0.0003766600000000, 0.0006875900000000, -0.0006809100000000 ] - [ -0.0131896300000000, 0.0079982500000000, 0.0164405700000000 ] - [ -0.0005733400000000, 0.0032173500000000, -0.0007008100000000 ] - [ 0.0014079100000000, -0.0012708400000000, 0.0001156200000000 ] - [ -0.0022022200000000, 0.0019763700000000, 0.0002081300000000 ] - [ -0.0023928500000000, -0.0023502700000000, -0.0001639200000000 ] - [ 0.0027830800000000, 0.0030601200000000, 0.0004210800000000 ] - [ 0.0023149200000000, -0.0021042700000000, 0.0005409200000000 ] - [ -0.0028699400000000, 0.0033331500000000, -0.0000495400000000 ] - [ -0.0004590000000000, -0.0003672200000000, 0.0001941200000000 ] - [ -0.0004543000000000, 0.0005247900000000, 0.0002068200000000 ] - [ -0.0075197800000000, 0.0030069000000000, 0.0090529800000000 ] - [ -0.0006843600000000, 0.0025763800000000, -0.0012203200000000 ] - [ 0.0074121500000000, 0.0032664300000000, -0.0092723700000000 ] - [ 0.0005735200000000, 0.0027752900000000, 0.0009599200000000 ] - [ -0.0027070800000000, 0.0013165500000000, -0.0009151900000000 ] - [ 0.0026285200000000, 0.0013012700000000, 0.0005154100000000 ] - [ 0.0001265000000000, 0.0000335900000000, 0.0003206600000000 ] - [ 0.0000542000000000, 0.0000311900000000, 0.0004829100000000 ] - [ -0.0006286900000000, 0.0004913100000000, -0.0024997900000000 ] - [ 0.0000930700000000, 0.0004901600000000, 0.0027027500000000 ] - [ 0.0000073900000000, 0.0009128800000000, -0.0005018700000000 ] - [ 0.0000054700000000, 0.0005857800000000, -0.0004174100000000 ] - [ -0.0102997900000000, 0.0054193000000000, -0.0164409200000000 ] - [ -0.0001487000000000, 0.0027623500000000, 0.0010668600000000 ] - [ 0.0002582200000000, -0.0004771000000000, -0.0002708000000000 ] - [ -0.0004940700000000, 0.0007550400000000, -0.0000587300000000 ] - [ -0.0018056900000000, -0.0017608500000000, 0.0002431500000000 ] - [ 0.0016306200000000, 0.0023238700000000, 0.0001234400000000 ] - [ -0.0003534200000000, -0.0006980400000000, 0.0000169700000000 ] - [ 0.0004172400000000, 0.0005502600000000, -0.0001915000000000 ] - [ 0.0105934300000000, 0.0054076900000000, 0.0163678200000000 ] - [ 0.0004299200000000, 0.0028353200000000, -0.0012465000000000 ] - [ -0.0003669700000000, -0.0006531600000000, -0.0000447400000000 ] - [ 0.0000451700000000, 0.0002982400000000, 0.0000480800000000 ] - [ 0.0002067700000000, -0.0002456500000000, -0.0000607800000000 ] - [ 0.0002063700000000, 0.0003043800000000, -0.0000586000000000 ] - [ -0.0000621900000000, -0.0002174800000000, 0.0000118200000000 ] - [ -0.0004794000000000, 0.0007390800000000, -0.0000782700000000 ] - [ 0.0013935800000000, -0.0013967100000000, -0.0001141200000000 ] - [ -0.0020411600000000, 0.0027032900000000, 0.0000159600000000 ] - [ -0.0013356300000000, -0.0012002600000000, 0.0000319500000000 ] - [ 0.0016032500000000, 0.0014256500000000, 0.0004238700000000 ] - [ 0.0012404400000000, -0.0009287700000000, 0.0003452300000000 ] - [ -0.0016973400000000, 0.0016864700000000, -0.0000486700000000 ]- atom: 41 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0028517200000000, 0.0023439300000000, 0.0114353800000000 ] - [ -0.0028517200000000, -0.0023439300000000, 0.0114353800000000 ] - [ -0.0019928900000000, 0.0000000000000000, 0.0140165400000000 ] - [ 0.0004072000000000, 0.0000000000000000, 0.0020147000000000 ] - [ -0.0010510300000000, 0.0000000000000000, -0.0010031300000000 ] - [ 0.0001194300000000, 0.0000000000000000, -0.0003245000000000 ] - [ 0.0006505200000000, -0.0007584600000000, 0.0000715000000000 ] - [ 0.0006505200000000, 0.0007584600000000, 0.0000715000000000 ] - [ -0.0063731700000000, -0.0051727700000000, 0.0028929900000000 ] - [ -0.0063731700000000, 0.0051727700000000, 0.0028929900000000 ] - [ -0.0009896300000000, -0.0011315100000000, -0.0015252100000000 ] - [ -0.0009896300000000, 0.0011315100000000, -0.0015252100000000 ] - [ 0.0024718000000000, 0.0000000000000000, -0.0136065800000000 ] - [ 0.0019266900000000, 0.0000000000000000, -0.0000118200000000 ] - [ 0.0044589500000000, 0.0000000000000000, 0.0188950500000000 ] - [ 0.0000360100000000, 0.0000000000000000, 0.0005564000000000 ] - [ 0.0124675600000000, -0.0109430300000000, -0.0019727500000000 ] - [ 0.0124675600000000, 0.0109430300000000, -0.0019727500000000 ] - [ 0.0144052700000000, 0.0089721900000000, -0.0021437200000000 ] - [ 0.0144052700000000, -0.0089721900000000, -0.0021437200000000 ] - [ 0.0043544000000000, 0.0000000000000000, -0.0169625100000000 ] - [ 0.0030923400000000, 0.0000000000000000, -0.0007931600000000 ] - [ -0.0069191800000000, 0.0000000000000000, -0.0102596900000000 ] - [ -0.0001990100000000, 0.0000000000000000, -0.0001023300000000 ] - [ -0.0073079500000000, 0.0065484000000000, 0.0034130400000000 ] - [ -0.0073079500000000, -0.0065484000000000, 0.0034130400000000 ] - [ -0.0008490700000000, 0.0012049400000000, -0.0021218700000000 ] - [ -0.0008490700000000, -0.0012049400000000, -0.0021218700000000 ] - [ -0.0016703600000000, 0.0000000000000000, -0.0019249800000000 ] - [ -0.0014176900000000, 0.0000000000000000, -0.0002250800000000 ] - [ -0.0018679700000000, 0.0000000000000000, -0.0014204200000000 ] - [ -0.0024402000000000, 0.0000000000000000, 0.0001660500000000 ] - [ -0.0013588900000000, -0.0001682400000000, -0.0048503900000000 ] - [ -0.0013588900000000, 0.0001682400000000, -0.0048503900000000 ] - [ 0.0008094400000000, -0.0005391600000000, 0.0000094300000000 ] - [ 0.0007057300000000, -0.0007756100000000, -0.0000685300000000 ] - [ 0.0008094400000000, 0.0005391600000000, 0.0000094300000000 ] - [ 0.0007057300000000, 0.0007756100000000, -0.0000685300000000 ] - [ 0.0005412800000000, 0.0000000000000000, 0.0032346100000000 ] - [ -0.0000943400000000, 0.0000000000000000, -0.0004346100000000 ] - [ 0.0321128000000000, 0.0000000000000000, -0.1553240900000000 ] - [ 0.0001456300000000, 0.0000000000000000, -0.0011507400000000 ] - [ -0.0072366800000000, 0.0000000000000000, 0.0327683700000000 ] - [ -0.0003931900000000, 0.0000000000000000, 0.0012505000000000 ] - [ 0.0005204400000000, 0.0004817600000000, 0.0007979800000000 ] - [ 0.0005204400000000, -0.0004817600000000, 0.0007979800000000 ] - [ 0.0012124300000000, -0.0011772400000000, 0.0007279300000000 ] - [ -0.0002729700000000, 0.0004197300000000, 0.0000087900000000 ] - [ 0.0115529800000000, -0.0113894600000000, -0.0012584600000000 ] - [ -0.0002393500000000, 0.0009761300000000, -0.0006777300000000 ] - [ -0.0039949300000000, -0.0033118400000000, 0.0010155500000000 ] - [ -0.0026604500000000, -0.0016874800000000, -0.0001036400000000 ] - [ 0.0115529800000000, 0.0113894600000000, -0.0012584600000000 ] - [ -0.0002393500000000, -0.0009761300000000, -0.0006777300000000 ] - [ 0.0012124300000000, 0.0011772400000000, 0.0007279300000000 ] - [ -0.0002729700000000, -0.0004197300000000, 0.0000087900000000 ] - [ -0.0222610200000000, -0.0275449600000000, 0.0185884700000000 ] - [ 0.0001102700000000, 0.0012275500000000, -0.0008821100000000 ] - [ -0.0017472100000000, 0.0001448700000000, 0.0069557600000000 ] - [ -0.0017472100000000, -0.0001448700000000, 0.0069557600000000 ] - [ -0.0222610200000000, 0.0275449600000000, 0.0185884700000000 ] - [ 0.0001102700000000, -0.0012275500000000, -0.0008821100000000 ] - [ -0.0039949300000000, 0.0033118400000000, 0.0010155500000000 ] - [ -0.0026604500000000, 0.0016874800000000, -0.0001036400000000 ] - [ -0.0051482600000000, -0.0023737500000000, 0.0014743900000000 ] - [ -0.0029115900000000, -0.0032715000000000, -0.0006674100000000 ] - [ -0.0051482600000000, 0.0023737500000000, 0.0014743900000000 ] - [ -0.0029115900000000, 0.0032715000000000, -0.0006674100000000 ] - [ -0.0020531800000000, 0.0000000000000000, 0.0046936000000000 ] - [ -0.0005066800000000, 0.0000000000000000, -0.0007334800000000 ] - [ -0.0191293300000000, 0.0208300700000000, 0.0115168900000000 ] - [ 0.0001816400000000, -0.0014270800000000, -0.0003988000000000 ] - [ -0.0191293300000000, -0.0208300700000000, 0.0115168900000000 ] - [ 0.0001816400000000, 0.0014270800000000, -0.0003988000000000 ] - [ -0.0001905200000000, 0.0009066000000000, -0.0051536900000000 ] - [ -0.0001905200000000, -0.0009066000000000, -0.0051536900000000 ] - [ 0.0005034100000000, 0.0000872900000000, 0.0012542000000000 ] - [ 0.0005034100000000, -0.0000872900000000, 0.0012542000000000 ] - [ 0.0003825800000000, -0.0005081400000000, 0.0018318600000000 ] - [ 0.0003825800000000, 0.0005081400000000, 0.0018318600000000 ] - [ -0.0010829700000000, 0.0000000000000000, 0.0390090400000000 ] - [ -0.0001858900000000, 0.0000000000000000, 0.0013340800000000 ] - [ 0.0178287700000000, -0.0164685000000000, 0.0039632700000000 ] - [ 0.0003683400000000, 0.0008855700000000, -0.0007729900000000 ] - [ 0.0010973900000000, -0.0009122500000000, 0.0007620000000000 ] - [ -0.0007603000000000, 0.0008353600000000, -0.0000455700000000 ] - [ 0.0010449300000000, 0.0011147400000000, -0.0011264700000000 ] - [ 0.0013797500000000, 0.0019170300000000, -0.0007284200000000 ] - [ 0.0010973900000000, 0.0009122500000000, 0.0007620000000000 ] - [ -0.0007603000000000, -0.0008353600000000, -0.0000455700000000 ] - [ 0.0178287700000000, 0.0164685000000000, 0.0039632700000000 ] - [ 0.0003683400000000, -0.0008855700000000, -0.0007729900000000 ] - [ 0.0006529900000000, 0.0003091100000000, 0.0002695000000000 ] - [ 0.0004210600000000, 0.0001641200000000, 0.0001367500000000 ] - [ 0.0003719200000000, 0.0000000000000000, 0.0014630800000000 ] - [ 0.0003890800000000, 0.0000000000000000, 0.0004197600000000 ] - [ 0.0006529900000000, -0.0003091100000000, 0.0002695000000000 ] - [ 0.0004210600000000, -0.0001641200000000, 0.0001367500000000 ] - [ 0.0010449300000000, -0.0011147400000000, -0.0011264700000000 ] - [ 0.0013797500000000, -0.0019170300000000, -0.0007284200000000 ] - [ 0.0009371500000000, 0.0000832800000000, -0.0000002000000000 ] - [ 0.0011555700000000, 0.0009486500000000, -0.0004000400000000 ] - [ 0.0009371500000000, -0.0000832800000000, -0.0000002000000000 ] - [ 0.0011555700000000, -0.0009486500000000, -0.0004000400000000 ]- atom: 41 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0031639100000000, -0.0026081800000000, -0.0116927400000000 ] - [ 0.0031639100000000, 0.0026081800000000, -0.0116927400000000 ] - [ 0.0037040400000000, 0.0000000000000000, -0.0139070600000000 ] - [ 0.0006528300000000, 0.0000000000000000, -0.0019008100000000 ] - [ 0.0013525000000000, 0.0000000000000000, 0.0007047300000000 ] - [ 0.0002012800000000, 0.0000000000000000, 0.0000202100000000 ] - [ 0.0003855100000000, 0.0007568200000000, 0.0000716200000000 ] - [ 0.0003855100000000, -0.0007568200000000, 0.0000716200000000 ] - [ 0.0059152500000000, 0.0051220700000000, -0.0032258000000000 ] - [ 0.0059152500000000, -0.0051220700000000, -0.0032258000000000 ] - [ 0.0016644800000000, 0.0011280900000000, 0.0018183100000000 ] - [ 0.0016644800000000, -0.0011280900000000, 0.0018183100000000 ] - [ -0.0022813500000000, 0.0000000000000000, 0.0149404400000000 ] - [ -0.0017158700000000, 0.0000000000000000, 0.0012943400000000 ] - [ -0.0044784200000000, 0.0000000000000000, -0.0216222200000000 ] - [ 0.0009174300000000, 0.0000000000000000, -0.0005726900000000 ] - [ -0.0125447100000000, 0.0109791500000000, 0.0017071400000000 ] - [ -0.0125447100000000, -0.0109791500000000, 0.0017071400000000 ] - [ -0.0143073600000000, -0.0088534000000000, 0.0017919200000000 ] - [ -0.0143073600000000, 0.0088534000000000, 0.0017919200000000 ] - [ -0.0047301300000000, 0.0000000000000000, 0.0164426600000000 ] - [ -0.0034828300000000, 0.0000000000000000, 0.0004456400000000 ] - [ 0.0074969100000000, 0.0000000000000000, 0.0126626800000000 ] - [ 0.0008288400000000, 0.0000000000000000, 0.0004511700000000 ] - [ 0.0075005200000000, -0.0065422900000000, -0.0020842600000000 ] - [ 0.0075005200000000, 0.0065422900000000, -0.0020842600000000 ] - [ 0.0017524000000000, -0.0011913800000000, 0.0021507300000000 ] - [ 0.0017524000000000, 0.0011913800000000, 0.0021507300000000 ] - [ 0.0015477500000000, 0.0000000000000000, 0.0017136900000000 ] - [ 0.0013037700000000, 0.0000000000000000, 0.0000115800000000 ] - [ 0.0018832900000000, 0.0000000000000000, 0.0010316700000000 ] - [ 0.0024400100000000, 0.0000000000000000, -0.0005477600000000 ] - [ 0.0004574300000000, 0.0001661200000000, 0.0051844100000000 ] - [ 0.0004574300000000, -0.0001661200000000, 0.0051844100000000 ] - [ -0.0008901600000000, 0.0003405200000000, -0.0002829300000000 ] - [ -0.0007822100000000, 0.0005720000000000, -0.0002060900000000 ] - [ -0.0008901600000000, -0.0003405200000000, -0.0002829300000000 ] - [ -0.0007822100000000, -0.0005720000000000, -0.0002060900000000 ] - [ -0.0006555400000000, 0.0000000000000000, -0.0036431200000000 ] - [ -0.0000230600000000, 0.0000000000000000, 0.0000282100000000 ] - [ -0.0318965800000000, 0.0000000000000000, 0.1564235600000000 ] - [ 0.0000368000000000, 0.0000000000000000, 0.0019453300000000 ] - [ 0.0068595900000000, 0.0000000000000000, -0.0326922500000000 ] - [ -0.0001477900000000, 0.0000000000000000, -0.0010302600000000 ] - [ -0.0005070400000000, -0.0004765300000000, -0.0016315300000000 ] - [ -0.0005070400000000, 0.0004765300000000, -0.0016315300000000 ] - [ -0.0009589100000000, 0.0011054500000000, -0.0009387400000000 ] - [ 0.0005258600000000, -0.0004913500000000, -0.0002159100000000 ] - [ -0.0116046300000000, 0.0115715600000000, 0.0011456900000000 ] - [ 0.0001629200000000, -0.0007584700000000, 0.0004265000000000 ] - [ 0.0035667400000000, 0.0029277600000000, -0.0008812600000000 ] - [ 0.0022096700000000, 0.0012797700000000, 0.0002416800000000 ] - [ -0.0116046300000000, -0.0115715600000000, 0.0011456900000000 ] - [ 0.0001629200000000, 0.0007584700000000, 0.0004265000000000 ] - [ -0.0009589100000000, -0.0011054500000000, -0.0009387400000000 ] - [ 0.0005258600000000, 0.0004913500000000, -0.0002159100000000 ] - [ 0.0220320000000000, 0.0274662700000000, -0.0187955600000000 ] - [ -0.0005711600000000, -0.0016877900000000, 0.0008757400000000 ] - [ 0.0021586300000000, -0.0001495200000000, -0.0070538700000000 ] - [ 0.0021586300000000, 0.0001495200000000, -0.0070538700000000 ] - [ 0.0220320000000000, -0.0274662700000000, -0.0187955600000000 ] - [ -0.0005711600000000, 0.0016877900000000, 0.0008757400000000 ] - [ 0.0035667400000000, -0.0029277600000000, -0.0008812600000000 ] - [ 0.0022096700000000, -0.0012797700000000, 0.0002416800000000 ] - [ 0.0050310100000000, 0.0021082400000000, -0.0010819800000000 ] - [ 0.0028301400000000, 0.0030375400000000, 0.0010461200000000 ] - [ 0.0050310100000000, -0.0021082400000000, -0.0010819800000000 ] - [ 0.0028301400000000, -0.0030375400000000, 0.0010461200000000 ] - [ 0.0011266800000000, 0.0000000000000000, -0.0042326300000000 ] - [ -0.0004015700000000, 0.0000000000000000, 0.0011417400000000 ] - [ 0.0187508000000000, -0.0206433600000000, -0.0116205400000000 ] - [ -0.0002292500000000, 0.0012036500000000, 0.0000995100000000 ] - [ 0.0187508000000000, 0.0206433600000000, -0.0116205400000000 ] - [ -0.0002292500000000, -0.0012036500000000, 0.0000995100000000 ] - [ 0.0000497200000000, -0.0008980000000000, 0.0047603500000000 ] - [ 0.0000497200000000, 0.0008980000000000, 0.0047603500000000 ] - [ -0.0003154700000000, -0.0000875900000000, -0.0004504000000000 ] - [ -0.0003154700000000, 0.0000875900000000, -0.0004504000000000 ] - [ -0.0009191200000000, 0.0005093400000000, -0.0016534600000000 ] - [ -0.0009191200000000, -0.0005093400000000, -0.0016534600000000 ] - [ 0.0010495300000000, 0.0000000000000000, -0.0393327400000000 ] - [ 0.0001940300000000, 0.0000000000000000, -0.0022111900000000 ] - [ -0.0174107900000000, 0.0162709400000000, -0.0043307300000000 ] - [ -0.0001121400000000, -0.0009680900000000, 0.0005454300000000 ] - [ -0.0011618800000000, 0.0011026900000000, -0.0010153400000000 ] - [ 0.0006780100000000, -0.0006290300000000, -0.0002113900000000 ] - [ -0.0014727600000000, -0.0014912500000000, 0.0012565900000000 ] - [ -0.0017956600000000, -0.0022928700000000, 0.0008613400000000 ] - [ -0.0011618800000000, -0.0011026900000000, -0.0010153400000000 ] - [ 0.0006780100000000, 0.0006290300000000, -0.0002113900000000 ] - [ -0.0174107900000000, -0.0162709400000000, -0.0043307300000000 ] - [ -0.0001121400000000, 0.0009680900000000, 0.0005454300000000 ] - [ -0.0010773100000000, -0.0007517000000000, -0.0002983600000000 ] - [ -0.0008450400000000, -0.0006042200000000, -0.0001648200000000 ] - [ 0.0000455500000000, 0.0000000000000000, -0.0015902200000000 ] - [ 0.0000285800000000, 0.0000000000000000, -0.0005374900000000 ] - [ -0.0010773100000000, 0.0007517000000000, -0.0002983600000000 ] - [ -0.0008450400000000, 0.0006042200000000, -0.0001648200000000 ] - [ -0.0014727600000000, 0.0014912500000000, 0.0012565900000000 ] - [ -0.0017956600000000, 0.0022928700000000, 0.0008613400000000 ] - [ -0.0010151900000000, -0.0003401400000000, 0.0003682600000000 ] - [ -0.0012423000000000, -0.0012029600000000, 0.0007657800000000 ] - [ -0.0010151900000000, 0.0003401400000000, 0.0003682600000000 ] - [ -0.0012423000000000, 0.0012029600000000, 0.0007657800000000 ]- atom: 43 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0014120500000000, -0.0007345200000000, 0.0003962200000000 ] - [ 0.0014120500000000, 0.0007345200000000, 0.0003962200000000 ] - [ 0.0007376700000000, 0.0000000000000000, -0.0011177300000000 ] - [ 0.0004843500000000, 0.0000000000000000, -0.0001747000000000 ] - [ 0.0005423300000000, 0.0000000000000000, -0.0013692600000000 ] - [ 0.0001097600000000, 0.0000000000000000, -0.0004060200000000 ] - [ 0.0017530000000000, 0.0008556400000000, 0.0006286600000000 ] - [ 0.0017530000000000, -0.0008556400000000, 0.0006286600000000 ] - [ -0.0040749200000000, -0.0034877000000000, 0.0020490700000000 ] - [ -0.0040749200000000, 0.0034877000000000, 0.0020490700000000 ] - [ -0.0013139400000000, -0.0022754800000000, -0.0008667300000000 ] - [ -0.0013139400000000, 0.0022754800000000, -0.0008667300000000 ] - [ 0.0107556400000000, 0.0000000000000000, 0.0001142100000000 ] - [ 0.0015112000000000, 0.0000000000000000, 0.0007135500000000 ] - [ 0.0109159200000000, 0.0000000000000000, 0.0014972200000000 ] - [ 0.0019187900000000, 0.0000000000000000, 0.0000889000000000 ] - [ -0.0016382600000000, 0.0022164300000000, -0.0010875700000000 ] - [ -0.0016382600000000, -0.0022164300000000, -0.0010875700000000 ] - [ -0.0037188000000000, 0.0034242800000000, 0.0021100800000000 ] - [ -0.0037188000000000, -0.0034242800000000, 0.0021100800000000 ] - [ -0.0015941900000000, 0.0000000000000000, -0.0002842500000000 ] - [ -0.0011953400000000, 0.0000000000000000, -0.0007080800000000 ] - [ -0.0006728000000000, 0.0000000000000000, 0.0032265400000000 ] - [ -0.0004641300000000, 0.0000000000000000, 0.0003451200000000 ] - [ -0.0001545000000000, -0.0001314000000000, 0.0000745000000000 ] - [ -0.0001545000000000, 0.0001314000000000, 0.0000745000000000 ] - [ 0.0002318500000000, 0.0001934300000000, -0.0005917600000000 ] - [ 0.0002318500000000, -0.0001934300000000, -0.0005917600000000 ] - [ -0.0011554300000000, 0.0000000000000000, 0.0032499100000000 ] - [ -0.0008942300000000, 0.0000000000000000, 0.0000737800000000 ] - [ -0.0014152100000000, 0.0000000000000000, -0.0002624800000000 ] - [ -0.0010227300000000, 0.0000000000000000, -0.0007093800000000 ] - [ 0.0003896400000000, -0.0000305300000000, -0.0027556600000000 ] - [ 0.0003896400000000, 0.0000305300000000, -0.0027556600000000 ] - [ 0.0006068300000000, -0.0004076300000000, 0.0000808500000000 ] - [ 0.0004872500000000, -0.0006247100000000, -0.0000102900000000 ] - [ 0.0006068300000000, 0.0004076300000000, 0.0000808500000000 ] - [ 0.0004872500000000, 0.0006247100000000, -0.0000102900000000 ] - [ 0.0011211000000000, 0.0000000000000000, -0.0087770800000000 ] - [ -0.0001548700000000, 0.0000000000000000, -0.0004037900000000 ] - [ 0.0014927400000000, 0.0000000000000000, -0.0074812500000000 ] - [ 0.0000035500000000, 0.0000000000000000, 0.0001788700000000 ] - [ -0.0267641800000000, 0.0000000000000000, 0.0191669300000000 ] - [ -0.0004472700000000, 0.0000000000000000, 0.0001916500000000 ] - [ 0.0003648600000000, 0.0005518300000000, -0.0003111000000000 ] - [ 0.0003648600000000, -0.0005518300000000, -0.0003111000000000 ] - [ 0.0005471400000000, -0.0028799300000000, 0.0051226400000000 ] - [ -0.0003912700000000, 0.0004828100000000, 0.0000393400000000 ] - [ 0.0022845400000000, -0.0056921200000000, -0.0069154800000000 ] - [ -0.0004917700000000, 0.0008476900000000, -0.0003324700000000 ] - [ 0.0021120400000000, 0.0055178100000000, -0.0068088000000000 ] - [ -0.0006344500000000, -0.0009156500000000, -0.0001268000000000 ] - [ 0.0022845400000000, 0.0056921200000000, -0.0069154800000000 ] - [ -0.0004917700000000, -0.0008476900000000, -0.0003324700000000 ] - [ 0.0005471400000000, 0.0028799300000000, 0.0051226400000000 ] - [ -0.0003912700000000, -0.0004828100000000, 0.0000393400000000 ] - [ 0.0001387400000000, 0.0025835300000000, 0.0052802300000000 ] - [ -0.0007416600000000, -0.0007420600000000, 0.0001178800000000 ] - [ 0.0005760700000000, -0.0005597500000000, 0.0000701600000000 ] - [ 0.0005760700000000, 0.0005597500000000, 0.0000701600000000 ] - [ 0.0001387400000000, -0.0025835300000000, 0.0052802300000000 ] - [ -0.0007416600000000, 0.0007420600000000, 0.0001178800000000 ] - [ 0.0021120400000000, -0.0055178100000000, -0.0068088000000000 ] - [ -0.0006344500000000, 0.0009156500000000, -0.0001268000000000 ] - [ 0.0005821300000000, 0.0001609900000000, 0.0004019800000000 ] - [ 0.0004797200000000, 0.0004050300000000, 0.0003150500000000 ] - [ 0.0005821300000000, -0.0001609900000000, 0.0004019800000000 ] - [ 0.0004797200000000, -0.0004050300000000, 0.0003150500000000 ] - [ -0.0001727800000000, 0.0000000000000000, 0.0005331100000000 ] - [ -0.0002329600000000, 0.0000000000000000, 0.0007545500000000 ] - [ 0.0009227200000000, -0.0004846500000000, -0.0006556400000000 ] - [ 0.0006459000000000, -0.0006784000000000, -0.0003713400000000 ] - [ 0.0009227200000000, 0.0004846500000000, -0.0006556400000000 ] - [ 0.0006459000000000, 0.0006784000000000, -0.0003713400000000 ] - [ 0.0001420800000000, -0.0003584300000000, 0.0006755900000000 ] - [ 0.0001420800000000, 0.0003584300000000, 0.0006755900000000 ] - [ 0.0003124300000000, 0.0003527800000000, 0.0013333000000000 ] - [ 0.0003124300000000, -0.0003527800000000, 0.0013333000000000 ] - [ -0.0002694300000000, -0.0000027800000000, 0.0003379500000000 ] - [ -0.0002694300000000, 0.0000027800000000, 0.0003379500000000 ] - [ 0.0002877200000000, 0.0000000000000000, -0.0017745400000000 ] - [ 0.0001128200000000, 0.0000000000000000, -0.0002706000000000 ] - [ -0.0000513400000000, 0.0002015300000000, -0.0002089400000000 ] - [ 0.0002794800000000, -0.0002453300000000, -0.0002107300000000 ] - [ 0.0002544400000000, -0.0000467600000000, -0.0000202000000000 ] - [ 0.0002856000000000, -0.0000648000000000, 0.0000265600000000 ] - [ 0.0000843800000000, -0.0000464300000000, 0.0001721200000000 ] - [ 0.0001230600000000, -0.0000054700000000, 0.0002104700000000 ] - [ 0.0002544400000000, 0.0000467600000000, -0.0000202000000000 ] - [ 0.0002856000000000, 0.0000648000000000, 0.0000265600000000 ] - [ -0.0000513400000000, -0.0002015300000000, -0.0002089400000000 ] - [ 0.0002794800000000, 0.0002453300000000, -0.0002107300000000 ] - [ -0.0004458600000000, -0.0005321700000000, -0.0001595900000000 ] - [ -0.0000509800000000, 0.0000013000000000, -0.0001094900000000 ] - [ 0.0004565200000000, 0.0000000000000000, -0.0015088700000000 ] - [ 0.0003202100000000, 0.0000000000000000, 0.0001022400000000 ] - [ -0.0004458600000000, 0.0005321700000000, -0.0001595900000000 ] - [ -0.0000509800000000, -0.0000013000000000, -0.0001094900000000 ] - [ 0.0000843800000000, 0.0000464300000000, 0.0001721200000000 ] - [ 0.0001230600000000, 0.0000054700000000, 0.0002104700000000 ] - [ 0.0009841500000000, 0.0003111800000000, -0.0003446000000000 ] - [ 0.0006849800000000, 0.0004592500000000, -0.0000497200000000 ] - [ 0.0009841500000000, -0.0003111800000000, -0.0003446000000000 ] - [ 0.0006849800000000, -0.0004592500000000, -0.0000497200000000 ]- atom: 43 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0011072600000000, 0.0007211700000000, -0.0007213600000000 ] - [ -0.0011072600000000, -0.0007211700000000, -0.0007213600000000 ] - [ 0.0003266600000000, 0.0000000000000000, 0.0012267000000000 ] - [ 0.0005688900000000, 0.0000000000000000, 0.0002946000000000 ] - [ -0.0002802000000000, 0.0000000000000000, 0.0010955500000000 ] - [ 0.0001984900000000, 0.0000000000000000, 0.0001070300000000 ] - [ -0.0006958000000000, -0.0008718500000000, -0.0004784700000000 ] - [ -0.0006958000000000, 0.0008718500000000, -0.0004784700000000 ] - [ 0.0037291000000000, 0.0035036000000000, -0.0023930300000000 ] - [ 0.0037291000000000, -0.0035036000000000, -0.0023930300000000 ] - [ 0.0019983500000000, 0.0022852900000000, 0.0011877300000000 ] - [ 0.0019983500000000, -0.0022852900000000, 0.0011877300000000 ] - [ -0.0108378400000000, 0.0000000000000000, 0.0022731200000000 ] - [ -0.0013209000000000, 0.0000000000000000, 0.0005830400000000 ] - [ -0.0098255000000000, 0.0000000000000000, -0.0025946900000000 ] - [ -0.0009934100000000, 0.0000000000000000, -0.0000674800000000 ] - [ 0.0015225900000000, -0.0022095500000000, 0.0008623600000000 ] - [ 0.0015225900000000, 0.0022095500000000, 0.0008623600000000 ] - [ 0.0036769700000000, -0.0034090500000000, -0.0024858500000000 ] - [ 0.0036769700000000, 0.0034090500000000, -0.0024858500000000 ] - [ 0.0012021100000000, 0.0000000000000000, -0.0000510300000000 ] - [ 0.0008047700000000, 0.0000000000000000, 0.0003556500000000 ] - [ 0.0013004700000000, 0.0000000000000000, -0.0028098000000000 ] - [ 0.0011171100000000, 0.0000000000000000, -0.0000322500000000 ] - [ 0.0003517800000000, 0.0001135600000000, 0.0012139400000000 ] - [ 0.0003517800000000, -0.0001135600000000, 0.0012139400000000 ] - [ 0.0006851800000000, -0.0002079500000000, 0.0006225200000000 ] - [ 0.0006851800000000, 0.0002079500000000, 0.0006225200000000 ] - [ 0.0010881200000000, 0.0000000000000000, -0.0035647000000000 ] - [ 0.0008026900000000, 0.0000000000000000, -0.0002866700000000 ] - [ 0.0014269100000000, 0.0000000000000000, -0.0001177400000000 ] - [ 0.0010330000000000, 0.0000000000000000, 0.0003364000000000 ] - [ -0.0012971800000000, 0.0000253000000000, 0.0031581800000000 ] - [ -0.0012971800000000, -0.0000253000000000, 0.0031581800000000 ] - [ -0.0006953900000000, 0.0002176000000000, -0.0003607700000000 ] - [ -0.0005722100000000, 0.0004320800000000, -0.0002658200000000 ] - [ -0.0006953900000000, -0.0002176000000000, -0.0003607700000000 ] - [ -0.0005722100000000, -0.0004320800000000, -0.0002658200000000 ] - [ -0.0011866700000000, 0.0000000000000000, 0.0086109500000000 ] - [ 0.0000324200000000, 0.0000000000000000, 0.0000006100000000 ] - [ -0.0013462000000000, 0.0000000000000000, 0.0080280600000000 ] - [ 0.0001863000000000, 0.0000000000000000, 0.0006210900000000 ] - [ 0.0263152900000000, 0.0000000000000000, -0.0189261500000000 ] - [ -0.0000895800000000, 0.0000000000000000, -0.0000003900000000 ] - [ -0.0003566200000000, -0.0005514800000000, -0.0005453700000000 ] - [ -0.0003566200000000, 0.0005514800000000, -0.0005453700000000 ] - [ -0.0002877600000000, 0.0028330100000000, -0.0053838000000000 ] - [ 0.0006510500000000, -0.0005605600000000, -0.0002504000000000 ] - [ -0.0023651000000000, 0.0059555900000000, 0.0067183100000000 ] - [ 0.0004068000000000, -0.0006388700000000, 0.0000736900000000 ] - [ -0.0025332800000000, -0.0058356100000000, 0.0068804800000000 ] - [ 0.0002158900000000, 0.0005356500000000, 0.0002645100000000 ] - [ -0.0023651000000000, -0.0059555900000000, 0.0067183100000000 ] - [ 0.0004068000000000, 0.0006388700000000, 0.0000736900000000 ] - [ -0.0002877600000000, -0.0028330100000000, -0.0053838000000000 ] - [ 0.0006510500000000, 0.0005605600000000, -0.0002504000000000 ] - [ -0.0005722600000000, -0.0030005500000000, -0.0052577400000000 ] - [ 0.0003103600000000, 0.0002941400000000, -0.0001417900000000 ] - [ -0.0001584000000000, 0.0005589000000000, -0.0001966000000000 ] - [ -0.0001584000000000, -0.0005589000000000, -0.0001966000000000 ] - [ -0.0005722600000000, 0.0030005500000000, -0.0052577400000000 ] - [ 0.0003103600000000, -0.0002941400000000, -0.0001417900000000 ] - [ -0.0025332800000000, 0.0058356100000000, 0.0068804800000000 ] - [ 0.0002158900000000, -0.0005356500000000, 0.0002645100000000 ] - [ -0.0006638500000000, -0.0004084600000000, -0.0000265400000000 ] - [ -0.0005661300000000, -0.0006565900000000, 0.0000584000000000 ] - [ -0.0006638500000000, 0.0004084600000000, -0.0000265400000000 ] - [ -0.0005661300000000, 0.0006565900000000, 0.0000584000000000 ] - [ -0.0007365400000000, 0.0000000000000000, -0.0001304000000000 ] - [ -0.0006766800000000, 0.0000000000000000, -0.0003487800000000 ] - [ -0.0009793800000000, 0.0002690600000000, 0.0003738000000000 ] - [ -0.0007199700000000, 0.0004756400000000, 0.0000920900000000 ] - [ -0.0009793800000000, -0.0002690600000000, 0.0003738000000000 ] - [ -0.0007199700000000, -0.0004756400000000, 0.0000920900000000 ] - [ -0.0002613600000000, 0.0003604300000000, -0.0010630300000000 ] - [ -0.0002613600000000, -0.0003604300000000, -0.0010630300000000 ] - [ -0.0001259200000000, -0.0003508800000000, -0.0005473100000000 ] - [ -0.0001259200000000, 0.0003508800000000, -0.0005473100000000 ] - [ -0.0002666700000000, 0.0000056600000000, -0.0001492700000000 ] - [ -0.0002666700000000, -0.0000056600000000, -0.0001492700000000 ] - [ -0.0002795900000000, 0.0000000000000000, 0.0008753300000000 ] - [ -0.0001072100000000, 0.0000000000000000, -0.0005864300000000 ] - [ 0.0002962500000000, -0.0002565700000000, -0.0000155900000000 ] - [ -0.0000157100000000, 0.0001641400000000, 0.0000008500000000 ] - [ -0.0003423000000000, 0.0002622000000000, -0.0002375100000000 ] - [ -0.0003704900000000, 0.0002722600000000, -0.0002848900000000 ] - [ -0.0005033600000000, -0.0003284500000000, -0.0000349400000000 ] - [ -0.0005440400000000, -0.0003758900000000, -0.0000708900000000 ] - [ -0.0003423000000000, -0.0002622000000000, -0.0002375100000000 ] - [ -0.0003704900000000, -0.0002722600000000, -0.0002848900000000 ] - [ 0.0002962500000000, 0.0002565700000000, -0.0000155900000000 ] - [ -0.0000157100000000, -0.0001641400000000, 0.0000008500000000 ] - [ 0.0000284000000000, 0.0001079200000000, 0.0001474500000000 ] - [ -0.0003844100000000, -0.0004502800000000, 0.0000820600000000 ] - [ -0.0000377500000000, 0.0000000000000000, 0.0014134300000000 ] - [ 0.0000953300000000, 0.0000000000000000, -0.0002330300000000 ] - [ 0.0000284000000000, -0.0001079200000000, 0.0001474500000000 ] - [ -0.0003844100000000, 0.0004502800000000, 0.0000820600000000 ] - [ -0.0005033600000000, 0.0003284500000000, -0.0000349400000000 ] - [ -0.0005440400000000, 0.0003758900000000, -0.0000708900000000 ] - [ -0.0010940000000000, -0.0005821100000000, 0.0007191400000000 ] - [ -0.0007841000000000, -0.0007178900000000, 0.0004194500000000 ] - [ -0.0010940000000000, 0.0005821100000000, 0.0007191400000000 ] - [ -0.0007841000000000, 0.0007178900000000, 0.0004194500000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003747500000000, -0.0008457600000000, 0.0010677300000000 ] - [ -0.0000810400000000, -0.0008265100000000, -0.0013935300000000 ] - [ 0.0005360700000000, 0.0015774700000000, 0.0000540900000000 ] - [ 0.0005295000000000, -0.0006886100000000, 0.0000623900000000 ] - [ 0.0001277200000000, 0.0015947400000000, -0.0001365100000000 ] - [ 0.0001499100000000, -0.0007009400000000, -0.0001508500000000 ] - [ 0.0003265600000000, -0.0008029000000000, -0.0010915900000000 ] - [ 0.0007316700000000, -0.0007817500000000, 0.0012444700000000 ] - [ -0.0032505000000000, -0.0025283400000000, -0.0000708400000000 ] - [ 0.0029135400000000, -0.0025431000000000, -0.0002685800000000 ] - [ -0.0027700000000000, -0.0025843900000000, -0.0007017400000000 ] - [ 0.0034556900000000, -0.0025872800000000, 0.0010239400000000 ] - [ 0.0000042100000000, 0.0126009800000000, 0.0012143100000000 ] - [ 0.0000948400000000, -0.0029273900000000, 0.0006477600000000 ] - [ 0.0005309000000000, 0.0124096000000000, -0.0005710400000000 ] - [ 0.0004579600000000, -0.0029612500000000, 0.0000088800000000 ] - [ 0.0029828900000000, -0.0024837100000000, 0.0006972500000000 ] - [ -0.0030966100000000, -0.0024855800000000, -0.0009236100000000 ] - [ 0.0028287700000000, -0.0023146300000000, -0.0002663100000000 ] - [ -0.0028765900000000, -0.0023290100000000, -0.0001089500000000 ] - [ -0.0001962600000000, 0.0012138000000000, -0.0001659600000000 ] - [ -0.0001964400000000, -0.0012448400000000, -0.0001726600000000 ] - [ 0.0003151800000000, 0.0021265100000000, 0.0002054400000000 ] - [ 0.0003243100000000, -0.0015292100000000, 0.0001549500000000 ] - [ 0.0003839600000000, -0.0001982800000000, 0.0011657500000000 ] - [ -0.0001815900000000, -0.0001815700000000, 0.0001176300000000 ] - [ 0.0001591500000000, -0.0001992800000000, -0.0005353800000000 ] - [ 0.0007519900000000, -0.0001840800000000, 0.0005652400000000 ] - [ -0.0000353600000000, 0.0021226500000000, -0.0001576500000000 ] - [ -0.0000436400000000, -0.0015690500000000, -0.0001092400000000 ] - [ 0.0000022500000000, 0.0012296900000000, -0.0001933800000000 ] - [ 0.0000031900000000, -0.0012530800000000, -0.0001874900000000 ] - [ -0.0004255700000000, 0.0007163400000000, 0.0001264300000000 ] - [ -0.0004822400000000, 0.0007237400000000, 0.0002748700000000 ] - [ 0.0008780900000000, -0.0008795400000000, -0.0000165000000000 ] - [ -0.0009076600000000, 0.0009471700000000, -0.0002757200000000 ] - [ -0.0009678700000000, -0.0006910500000000, -0.0002619300000000 ] - [ 0.0008220800000000, 0.0011405400000000, 0.0000003200000000 ] - [ -0.0000352900000000, 0.0014137300000000, -0.0000760900000000 ] - [ -0.0000603100000000, 0.0005427500000000, -0.0002003400000000 ] - [ 0.0000710700000000, 0.0014251700000000, 0.0002769500000000 ] - [ 0.0000947300000000, 0.0005473600000000, 0.0004034100000000 ] - [ -0.0002574600000000, -0.0293029800000000, 0.0001005900000000 ] - [ -0.0002680100000000, 0.0005438000000000, 0.0000930800000000 ] - [ 0.0004975800000000, 0.0002834000000000, -0.0002188100000000 ] - [ -0.0004912900000000, 0.0002809400000000, -0.0006403300000000 ] - [ -0.0039862900000000, 0.0016021900000000, -0.0054873800000000 ] - [ -0.0001245000000000, 0.0009389000000000, 0.0001327500000000 ] - [ -0.0032042600000000, 0.0012014800000000, 0.0063600900000000 ] - [ -0.0007173800000000, 0.0014232000000000, -0.0000832100000000 ] - [ 0.0027533700000000, 0.0005291700000000, -0.0064308200000000 ] - [ 0.0004403600000000, 0.0010995600000000, 0.0000038200000000 ] - [ 0.0030635700000000, 0.0009844100000000, -0.0065410400000000 ] - [ 0.0006311100000000, 0.0012159200000000, -0.0001732100000000 ] - [ 0.0042204700000000, 0.0016919500000000, 0.0052247200000000 ] - [ 0.0003843900000000, 0.0010165500000000, -0.0003486600000000 ] - [ 0.0038495200000000, 0.0012995600000000, 0.0054193700000000 ] - [ 0.0000246800000000, 0.0007485000000000, -0.0002354500000000 ] - [ -0.0002738800000000, 0.0002721100000000, -0.0002634200000000 ] - [ 0.0006941300000000, 0.0002704400000000, 0.0001462500000000 ] - [ -0.0042537700000000, 0.0017557300000000, -0.0053941900000000 ] - [ -0.0004517300000000, 0.0011934200000000, 0.0002156400000000 ] - [ -0.0031195100000000, 0.0009054000000000, 0.0064892500000000 ] - [ -0.0008619100000000, 0.0014858900000000, 0.0001319900000000 ] - [ -0.0009507600000000, -0.0008973100000000, 0.0000685600000000 ] - [ 0.0007979000000000, 0.0009093300000000, 0.0003258200000000 ] - [ 0.0008657700000000, -0.0006442300000000, 0.0003068100000000 ] - [ -0.0008874700000000, 0.0011675900000000, 0.0000483000000000 ] - [ -0.0004548500000000, -0.0001671700000000, 0.0002056100000000 ] - [ -0.0004547200000000, 0.0002097200000000, 0.0002066400000000 ] - [ 0.0008264500000000, -0.0009037800000000, -0.0000060200000000 ] - [ -0.0008407800000000, 0.0008305900000000, -0.0001828800000000 ] - [ -0.0008766200000000, -0.0006784400000000, -0.0002741000000000 ] - [ 0.0007732300000000, 0.0010405100000000, -0.0000962000000000 ] - [ -0.0005032800000000, 0.0004795800000000, -0.0010838700000000 ] - [ 0.0003852800000000, 0.0004780200000000, 0.0006907000000000 ] - [ 0.0005437900000000, 0.0004914200000000, 0.0013265900000000 ] - [ -0.0003572400000000, 0.0004906600000000, -0.0005447200000000 ] - [ -0.0002640500000000, 0.0000769400000000, 0.0001156700000000 ] - [ -0.0002720800000000, 0.0000740600000000, 0.0000893800000000 ] - [ 0.0000035800000000, -0.0001220100000000, -0.0004546900000000 ] - [ 0.0000032600000000, 0.0001794500000000, -0.0004345800000000 ] - [ -0.0000233500000000, -0.0001830200000000, -0.0005741500000000 ] - [ 0.0000427900000000, 0.0003396000000000, 0.0000365400000000 ] - [ 0.0001229500000000, -0.0001742900000000, -0.0001368500000000 ] - [ -0.0002959200000000, 0.0004443200000000, -0.0002056000000000 ] - [ -0.0003638600000000, -0.0004546600000000, 0.0000795300000000 ] - [ 0.0000369400000000, 0.0001419500000000, 0.0001390100000000 ] - [ -0.0002029900000000, -0.0003801000000000, -0.0001204100000000 ] - [ 0.0002190700000000, 0.0002466500000000, -0.0000519500000000 ] - [ 0.0002667700000000, -0.0001313800000000, 0.0003485400000000 ] - [ 0.0002178100000000, 0.0004159600000000, -0.0002489500000000 ] - [ -0.0000582200000000, -0.0003651600000000, 0.0004491000000000 ] - [ -0.0001284000000000, 0.0001538400000000, -0.0001509300000000 ] - [ 0.0002096200000000, -0.0001224200000000, -0.0000499700000000 ] - [ 0.0002081600000000, 0.0001800500000000, -0.0000670300000000 ] - [ -0.0003630000000000, 0.0000640200000000, -0.0004607200000000 ] - [ -0.0003092500000000, 0.0006066700000000, 0.0001273800000000 ] - [ -0.0000494300000000, -0.0000825900000000, 0.0000570800000000 ] - [ -0.0004535800000000, 0.0005215900000000, 0.0000002500000000 ] - [ -0.0009418400000000, -0.0009593200000000, 0.0000615000000000 ] - [ 0.0008058100000000, 0.0008495000000000, 0.0002333600000000 ] - [ 0.0008321300000000, -0.0006855400000000, 0.0003126500000000 ] - [ -0.0009028200000000, 0.0011087900000000, 0.0001376300000000 ]- atom: 43 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0001384500000000, 0.0077848700000000, -0.0059763300000000 ] - [ -0.0001384500000000, -0.0077848700000000, -0.0059763300000000 ] - [ -0.0080682000000000, 0.0000000000000000, -0.0029337300000000 ] - [ -0.0004838300000000, 0.0000000000000000, -0.0009240500000000 ] - [ -0.0084531500000000, 0.0000000000000000, -0.0031909400000000 ] - [ -0.0008493000000000, 0.0000000000000000, -0.0011701800000000 ] - [ 0.0002068200000000, -0.0078643300000000, -0.0058890300000000 ] - [ 0.0002068200000000, 0.0078643300000000, -0.0058890300000000 ] - [ 0.0237272600000000, 0.0143670400000000, -0.0007279100000000 ] - [ 0.0237272600000000, -0.0143670400000000, -0.0007279100000000 ] - [ -0.0098284700000000, -0.0090545100000000, 0.0062674800000000 ] - [ -0.0098284700000000, 0.0090545100000000, 0.0062674800000000 ] - [ -0.0126504900000000, 0.0000000000000000, 0.0543569600000000 ] - [ 0.0002932600000000, 0.0000000000000000, 0.0038871900000000 ] - [ -0.0105791100000000, 0.0000000000000000, 0.0672814400000000 ] - [ 0.0007061700000000, 0.0000000000000000, 0.0033144300000000 ] - [ -0.0100019700000000, 0.0088999200000000, 0.0060317500000000 ] - [ -0.0100019700000000, -0.0088999200000000, 0.0060317500000000 ] - [ 0.0236894500000000, -0.0142444500000000, -0.0012301200000000 ] - [ 0.0236894500000000, 0.0142444500000000, -0.0012301200000000 ] - [ -0.0063943600000000, 0.0000000000000000, -0.0043073800000000 ] - [ -0.0053133900000000, 0.0000000000000000, -0.0011478700000000 ] - [ 0.0066226100000000, 0.0000000000000000, -0.0180879400000000 ] - [ 0.0041045500000000, 0.0000000000000000, -0.0014575500000000 ] - [ -0.0033195900000000, 0.0020007700000000, -0.0038442900000000 ] - [ -0.0033195900000000, -0.0020007700000000, -0.0038442900000000 ] - [ -0.0030465100000000, -0.0020088600000000, -0.0045087400000000 ] - [ -0.0030465100000000, 0.0020088600000000, -0.0045087400000000 ] - [ 0.0060279400000000, 0.0000000000000000, -0.0179149900000000 ] - [ 0.0037343500000000, 0.0000000000000000, -0.0016746900000000 ] - [ -0.0062709100000000, 0.0000000000000000, -0.0042419600000000 ] - [ -0.0051011400000000, 0.0000000000000000, -0.0010927000000000 ] - [ -0.0060376600000000, 0.0001807300000000, 0.0095289600000000 ] - [ -0.0060376600000000, -0.0001807300000000, 0.0095289600000000 ] - [ 0.0030475600000000, -0.0009838300000000, -0.0003610300000000 ] - [ 0.0028781100000000, -0.0026429900000000, 0.0001864300000000 ] - [ 0.0030475600000000, 0.0009838300000000, -0.0003610300000000 ] - [ 0.0028781100000000, 0.0026429900000000, 0.0001864300000000 ] - [ 0.0071959800000000, 0.0000000000000000, 0.0416426000000000 ] - [ -0.0004431100000000, 0.0000000000000000, 0.0007261300000000 ] - [ 0.0069363500000000, 0.0000000000000000, 0.0430960800000000 ] - [ -0.0003229800000000, 0.0000000000000000, 0.0013360300000000 ] - [ 0.0296130500000000, 0.0000000000000000, -0.2567717400000000 ] - [ -0.0001038400000000, 0.0000000000000000, -0.0046468300000000 ] - [ -0.0009169400000000, -0.0005729100000000, -0.0087199200000000 ] - [ -0.0009169400000000, 0.0005729100000000, -0.0087199200000000 ] - [ 0.0166055200000000, -0.0144336000000000, 0.0036343700000000 ] - [ 0.0003117500000000, 0.0015362400000000, -0.0003864200000000 ] - [ -0.0256957200000000, 0.0319761400000000, 0.0121837100000000 ] - [ -0.0013713300000000, -0.0020584300000000, -0.0000181400000000 ] - [ -0.0253430600000000, -0.0316779300000000, 0.0128335200000000 ] - [ -0.0015569000000000, 0.0019804500000000, 0.0001836700000000 ] - [ -0.0256957200000000, -0.0319761400000000, 0.0121837100000000 ] - [ -0.0013713300000000, 0.0020584300000000, -0.0000181400000000 ] - [ 0.0166055200000000, 0.0144336000000000, 0.0036343700000000 ] - [ 0.0003117500000000, -0.0015362400000000, -0.0003864200000000 ] - [ 0.0164462800000000, 0.0144227100000000, 0.0034168800000000 ] - [ -0.0000290000000000, -0.0018215100000000, -0.0003379400000000 ] - [ -0.0008275300000000, 0.0006941500000000, -0.0081791600000000 ] - [ -0.0008275300000000, -0.0006941500000000, -0.0081791600000000 ] - [ 0.0164462800000000, -0.0144227100000000, 0.0034168800000000 ] - [ -0.0000290000000000, 0.0018215100000000, -0.0003379400000000 ] - [ -0.0253430600000000, 0.0316779300000000, 0.0128335200000000 ] - [ -0.0015569000000000, -0.0019804500000000, 0.0001836700000000 ] - [ 0.0030265800000000, 0.0006985700000000, -0.0000513700000000 ] - [ 0.0028517700000000, 0.0024408500000000, 0.0005272400000000 ] - [ 0.0030265800000000, -0.0006985700000000, -0.0000513700000000 ] - [ 0.0028517700000000, -0.0024408500000000, 0.0005272400000000 ] - [ 0.0017195200000000, 0.0000000000000000, 0.0036233300000000 ] - [ 0.0007215700000000, 0.0000000000000000, 0.0016544900000000 ] - [ -0.0067278100000000, 0.0034870000000000, 0.0020235700000000 ] - [ -0.0044011300000000, 0.0027429800000000, 0.0009982500000000 ] - [ -0.0067278100000000, -0.0034870000000000, 0.0020235700000000 ] - [ -0.0044011300000000, -0.0027429800000000, 0.0009982500000000 ] - [ 0.0018834200000000, -0.0018835900000000, 0.0023519000000000 ] - [ 0.0018834200000000, 0.0018835900000000, 0.0023519000000000 ] - [ 0.0020252200000000, 0.0019267900000000, 0.0030579500000000 ] - [ 0.0020252200000000, -0.0019267900000000, 0.0030579500000000 ] - [ -0.0000547400000000, -0.0000041300000000, 0.0037778800000000 ] - [ -0.0000547400000000, 0.0000041300000000, 0.0037778800000000 ] - [ 0.0001028000000000, 0.0000000000000000, 0.0065152500000000 ] - [ 0.0001071800000000, 0.0000000000000000, -0.0003628500000000 ] - [ 0.0021869600000000, -0.0028812900000000, 0.0031752400000000 ] - [ -0.0002298200000000, 0.0011213600000000, 0.0013084400000000 ] - [ 0.0026511000000000, -0.0008350300000000, 0.0010250400000000 ] - [ 0.0019069900000000, -0.0013485100000000, 0.0004588800000000 ] - [ 0.0024157500000000, 0.0007235500000000, 0.0011936000000000 ] - [ 0.0016922100000000, 0.0012418800000000, 0.0006365200000000 ] - [ 0.0026511000000000, 0.0008350300000000, 0.0010250400000000 ] - [ 0.0019069900000000, 0.0013485100000000, 0.0004588800000000 ] - [ 0.0021869600000000, 0.0028812900000000, 0.0031752400000000 ] - [ -0.0002298200000000, -0.0011213600000000, 0.0013084400000000 ] - [ 0.0018612400000000, 0.0026260300000000, 0.0033075200000000 ] - [ -0.0005801200000000, -0.0013709000000000, 0.0013959700000000 ] - [ 0.0004411200000000, 0.0000000000000000, 0.0066511800000000 ] - [ 0.0003171100000000, 0.0000000000000000, -0.0000684700000000 ] - [ 0.0018612400000000, -0.0026260300000000, 0.0033075200000000 ] - [ -0.0005801200000000, 0.0013709000000000, 0.0013959700000000 ] - [ 0.0024157500000000, -0.0007235500000000, 0.0011936000000000 ] - [ 0.0016922100000000, -0.0012418800000000, 0.0006365200000000 ] - [ -0.0066259700000000, -0.0036680000000000, 0.0023374300000000 ] - [ -0.0044861700000000, -0.0029624300000000, 0.0013425600000000 ] - [ -0.0066259700000000, 0.0036680000000000, 0.0023374300000000 ] - [ -0.0044861700000000, 0.0029624300000000, 0.0013425600000000 ]- atom: 43 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0004160500000000, -0.0077802400000000, 0.0056891300000000 ] - [ 0.0004160500000000, 0.0077802400000000, 0.0056891300000000 ] - [ 0.0091006900000000, 0.0000000000000000, 0.0031047500000000 ] - [ 0.0015357300000000, 0.0000000000000000, 0.0010488600000000 ] - [ 0.0087557600000000, 0.0000000000000000, 0.0028589700000000 ] - [ 0.0011605800000000, 0.0000000000000000, 0.0008576100000000 ] - [ 0.0008730600000000, 0.0078786200000000, 0.0060150200000000 ] - [ 0.0008730600000000, -0.0078786200000000, 0.0060150200000000 ] - [ -0.0240639000000000, -0.0143013500000000, 0.0004756000000000 ] - [ -0.0240639000000000, 0.0143013500000000, 0.0004756000000000 ] - [ 0.0104427500000000, 0.0089948300000000, -0.0059635600000000 ] - [ 0.0104427500000000, -0.0089948300000000, -0.0059635600000000 ] - [ 0.0127040300000000, 0.0000000000000000, -0.0596059200000000 ] - [ -0.0000756100000000, 0.0000000000000000, -0.0026124800000000 ] - [ 0.0117133300000000, 0.0000000000000000, -0.0602992800000000 ] - [ 0.0001929100000000, 0.0000000000000000, -0.0032773500000000 ] - [ 0.0099730100000000, -0.0089748600000000, -0.0062476900000000 ] - [ 0.0099730100000000, 0.0089748600000000, -0.0062476900000000 ] - [ -0.0237844300000000, 0.0143380900000000, 0.0007719600000000 ] - [ -0.0237844300000000, -0.0143380900000000, 0.0007719600000000 ] - [ 0.0060463200000000, 0.0000000000000000, 0.0039474900000000 ] - [ 0.0049463600000000, 0.0000000000000000, 0.0007873700000000 ] - [ -0.0059859000000000, 0.0000000000000000, 0.0183238900000000 ] - [ -0.0034644100000000, 0.0000000000000000, 0.0017733500000000 ] - [ 0.0034944900000000, -0.0019964800000000, 0.0051582900000000 ] - [ 0.0034944900000000, 0.0019964800000000, 0.0051582900000000 ] - [ 0.0039894900000000, 0.0020154400000000, 0.0045212000000000 ] - [ 0.0039894900000000, -0.0020154400000000, 0.0045212000000000 ] - [ -0.0061115200000000, 0.0000000000000000, 0.0177972300000000 ] - [ -0.0038197600000000, 0.0000000000000000, 0.0014673300000000 ] - [ 0.0062467500000000, 0.0000000000000000, 0.0038865900000000 ] - [ 0.0050954700000000, 0.0000000000000000, 0.0007249200000000 ] - [ 0.0051348600000000, -0.0001974700000000, -0.0091394300000000 ] - [ 0.0051348600000000, 0.0001974700000000, -0.0091394300000000 ] - [ -0.0031145300000000, 0.0007786000000000, 0.0000879000000000 ] - [ -0.0029565500000000, 0.0024376300000000, -0.0004617500000000 ] - [ -0.0031145300000000, -0.0007786000000000, 0.0000879000000000 ] - [ -0.0029565500000000, -0.0024376300000000, -0.0004617500000000 ] - [ -0.0073842600000000, 0.0000000000000000, -0.0425356300000000 ] - [ 0.0003252000000000, 0.0000000000000000, -0.0011222300000000 ] - [ -0.0066855300000000, 0.0000000000000000, -0.0418352000000000 ] - [ 0.0005087600000000, 0.0000000000000000, -0.0005383100000000 ] - [ -0.0302496500000000, 0.0000000000000000, 0.2566295200000000 ] - [ -0.0004337000000000, 0.0000000000000000, 0.0048418600000000 ] - [ 0.0009443500000000, 0.0005888500000000, 0.0078127900000000 ] - [ 0.0009443500000000, -0.0005888500000000, 0.0078127900000000 ] - [ -0.0163818500000000, 0.0143715200000000, -0.0036829000000000 ] - [ -0.0000596400000000, -0.0015964500000000, 0.0001912000000000 ] - [ 0.0253870400000000, -0.0314643800000000, -0.0124194600000000 ] - [ 0.0013035700000000, 0.0022531700000000, -0.0002510400000000 ] - [ 0.0251997400000000, 0.0316722100000000, -0.0127389000000000 ] - [ 0.0011229000000000, -0.0023783600000000, -0.0000363000000000 ] - [ 0.0253870400000000, 0.0314643800000000, -0.0124194600000000 ] - [ 0.0013035700000000, -0.0022531700000000, -0.0002510400000000 ] - [ -0.0163818500000000, -0.0143715200000000, -0.0036829000000000 ] - [ -0.0000596400000000, 0.0015964500000000, 0.0001912000000000 ] - [ -0.0168635800000000, -0.0148716000000000, -0.0036225100000000 ] - [ -0.0003923300000000, 0.0013964200000000, 0.0002962400000000 ] - [ 0.0012283600000000, -0.0006809600000000, 0.0081172900000000 ] - [ 0.0012283600000000, 0.0006809600000000, 0.0081172900000000 ] - [ -0.0168635800000000, 0.0148716000000000, -0.0036225100000000 ] - [ -0.0003923300000000, -0.0013964200000000, 0.0002962400000000 ] - [ 0.0251997400000000, -0.0316722100000000, -0.0127389000000000 ] - [ 0.0011229000000000, 0.0023783600000000, -0.0000363000000000 ] - [ -0.0031361900000000, -0.0009658300000000, 0.0004189900000000 ] - [ -0.0029515700000000, -0.0027108700000000, -0.0001561500000000 ] - [ -0.0031361900000000, 0.0009658300000000, 0.0004189900000000 ] - [ -0.0029515700000000, 0.0027108700000000, -0.0001561500000000 ] - [ -0.0026314500000000, 0.0000000000000000, -0.0032207100000000 ] - [ -0.0016316000000000, 0.0000000000000000, -0.0012484300000000 ] - [ 0.0066561000000000, -0.0036971500000000, -0.0022913700000000 ] - [ 0.0043504800000000, -0.0029743800000000, -0.0012761100000000 ] - [ 0.0066561000000000, 0.0036971500000000, -0.0022913700000000 ] - [ 0.0043504800000000, 0.0029743800000000, -0.0012761100000000 ] - [ -0.0020044400000000, 0.0018976900000000, -0.0027843900000000 ] - [ -0.0020044400000000, -0.0018976900000000, -0.0027843900000000 ] - [ -0.0018392000000000, -0.0019164900000000, -0.0022332000000000 ] - [ -0.0018392000000000, 0.0019164900000000, -0.0022332000000000 ] - [ -0.0004813500000000, 0.0000047900000000, -0.0035898200000000 ] - [ -0.0004813500000000, -0.0000047900000000, -0.0035898200000000 ] - [ -0.0000943000000000, 0.0000000000000000, -0.0073267600000000 ] - [ -0.0001014200000000, 0.0000000000000000, -0.0004861000000000 ] - [ -0.0019099600000000, 0.0027922800000000, -0.0033796400000000 ] - [ 0.0004970700000000, -0.0011991500000000, -0.0015159300000000 ] - [ -0.0027469400000000, 0.0010500400000000, -0.0012814700000000 ] - [ -0.0019969100000000, 0.0015603300000000, -0.0007141600000000 ] - [ -0.0028280900000000, -0.0010989300000000, -0.0010581300000000 ] - [ -0.0021066600000000, -0.0016193500000000, -0.0004993400000000 ] - [ -0.0027469400000000, -0.0010500400000000, -0.0012814700000000 ] - [ -0.0019969100000000, -0.0015603300000000, -0.0007141600000000 ] - [ -0.0019099600000000, -0.0027922800000000, -0.0033796400000000 ] - [ 0.0004970700000000, 0.0011991500000000, -0.0015159300000000 ] - [ -0.0023115000000000, -0.0030861600000000, -0.0033453600000000 ] - [ 0.0001395600000000, 0.0009263200000000, -0.0014283000000000 ] - [ -0.0000264000000000, 0.0000000000000000, -0.0068361700000000 ] - [ 0.0000987600000000, 0.0000000000000000, -0.0000682700000000 ] - [ -0.0023115000000000, 0.0030861600000000, -0.0033453600000000 ] - [ 0.0001395600000000, -0.0009263200000000, -0.0014283000000000 ] - [ -0.0028280900000000, 0.0010989300000000, -0.0010581300000000 ] - [ -0.0021066600000000, 0.0016193500000000, -0.0004993400000000 ] - [ 0.0065389000000000, 0.0034061800000000, -0.0019805700000000 ] - [ 0.0043702700000000, 0.0026776800000000, -0.0009766000000000 ] - [ 0.0065389000000000, -0.0034061800000000, -0.0019805700000000 ] - [ 0.0043702700000000, -0.0026776800000000, -0.0009766000000000 ]- atom: 45 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0004965300000000, 0.0000000000000000, -0.0015263800000000 ] - [ 0.0000203700000000, 0.0000000000000000, -0.0004838300000000 ] - [ -0.0001863400000000, -0.0000007000000000, -0.0003704900000000 ] - [ -0.0001863400000000, 0.0000007000000000, -0.0003704900000000 ] - [ 0.0012619800000000, -0.0003614100000000, 0.0003880200000000 ] - [ 0.0012619800000000, 0.0003614100000000, 0.0003880200000000 ] - [ -0.0015088200000000, 0.0000000000000000, 0.0034159700000000 ] - [ 0.0008166200000000, 0.0000000000000000, 0.0007539200000000 ] - [ 0.0085162400000000, 0.0000000000000000, -0.0024083100000000 ] - [ 0.0023310600000000, 0.0000000000000000, 0.0002900500000000 ] - [ 0.0130090900000000, 0.0000000000000000, 0.0007964500000000 ] - [ 0.0018054800000000, 0.0000000000000000, 0.0005097100000000 ] - [ -0.0020050400000000, -0.0024771100000000, 0.0028974400000000 ] - [ -0.0020050400000000, 0.0024771100000000, 0.0028974400000000 ] - [ -0.0020735500000000, -0.0036398700000000, -0.0002914300000000 ] - [ -0.0020735500000000, 0.0036398700000000, -0.0002914300000000 ] - [ -0.0016257300000000, 0.0000000000000000, -0.0004188200000000 ] - [ -0.0011735300000000, 0.0000000000000000, -0.0004861000000000 ] - [ -0.0003697400000000, 0.0000000000000000, 0.0017219400000000 ] - [ -0.0005691200000000, 0.0000000000000000, 0.0000515500000000 ] - [ -0.0010462500000000, 0.0000307400000000, -0.0011900900000000 ] - [ -0.0010462500000000, -0.0000307400000000, -0.0011900900000000 ] - [ -0.0000690700000000, 0.0000283100000000, -0.0007560600000000 ] - [ -0.0000690700000000, -0.0000283100000000, -0.0007560600000000 ] - [ -0.0013947600000000, 0.0000000000000000, -0.0002199900000000 ] - [ -0.0009530100000000, 0.0000000000000000, 0.0001433300000000 ] - [ -0.0001248300000000, 0.0000000000000000, 0.0007528700000000 ] - [ -0.0002883500000000, 0.0000000000000000, 0.0001426800000000 ] - [ -0.0029941600000000, 0.0037518600000000, 0.0010548900000000 ] - [ -0.0029941600000000, -0.0037518600000000, 0.0010548900000000 ] - [ -0.0021291300000000, 0.0025004100000000, -0.0014649800000000 ] - [ -0.0021291300000000, -0.0025004100000000, -0.0014649800000000 ] - [ 0.0019671100000000, 0.0000000000000000, -0.0039795800000000 ] - [ -0.0006332400000000, 0.0000000000000000, -0.0001815300000000 ] - [ 0.0001202900000000, -0.0032796100000000, 0.0051456300000000 ] - [ -0.0006239800000000, 0.0005086000000000, -0.0000970600000000 ] - [ -0.0006239800000000, -0.0005086000000000, -0.0000970600000000 ] - [ 0.0001202900000000, 0.0032796100000000, 0.0051456300000000 ] - [ 0.0005256000000000, 0.0001737100000000, -0.0021908500000000 ] - [ 0.0005256000000000, -0.0001737100000000, -0.0021908500000000 ] - [ 0.0006759800000000, 0.0003255600000000, 0.0014375400000000 ] - [ 0.0006759800000000, -0.0003255600000000, 0.0014375400000000 ] - [ 0.0000885600000000, 0.0004932800000000, -0.0007626200000000 ] - [ 0.0000885600000000, -0.0004932800000000, -0.0007626200000000 ] - [ -0.0283550500000000, 0.0000000000000000, 0.0061209200000000 ] - [ -0.0002252900000000, 0.0000000000000000, -0.0007647700000000 ] - [ -0.0003373200000000, 0.0004706300000000, -0.0003626300000000 ] - [ 0.0013765900000000, -0.0039079300000000, -0.0068403000000000 ] - [ -0.0008609800000000, 0.0009833000000000, -0.0000852200000000 ] - [ 0.0024257800000000, -0.0041976200000000, 0.0052967500000000 ] - [ 0.0001835000000000, 0.0004121900000000, -0.0001927000000000 ] - [ 0.0005299000000000, 0.0002353300000000, -0.0005534200000000 ] - [ 0.0024257800000000, 0.0041976200000000, 0.0052967500000000 ] - [ -0.0008609800000000, -0.0009833000000000, -0.0000852200000000 ] - [ 0.0013765900000000, 0.0039079300000000, -0.0068403000000000 ] - [ -0.0003373200000000, -0.0004706300000000, -0.0003626300000000 ] - [ 0.0004660800000000, 0.0002948300000000, 0.0001594300000000 ] - [ 0.0005789900000000, 0.0000175600000000, 0.0002262100000000 ] - [ 0.0006456300000000, 0.0000000000000000, -0.0005332100000000 ] - [ 0.0003192900000000, 0.0000000000000000, 0.0000640500000000 ] - [ 0.0005789900000000, -0.0000175600000000, 0.0002262100000000 ] - [ 0.0004660800000000, -0.0002948300000000, 0.0001594300000000 ] - [ 0.0005299000000000, -0.0002353300000000, -0.0005534200000000 ] - [ 0.0001835000000000, -0.0004121900000000, -0.0001927000000000 ] - [ 0.0004954100000000, 0.0002256900000000, 0.0003103600000000 ] - [ 0.0004817300000000, 0.0002315100000000, 0.0003525100000000 ] - [ 0.0004817300000000, -0.0002315100000000, 0.0003525100000000 ] - [ 0.0004954100000000, -0.0002256900000000, 0.0003103600000000 ] - [ -0.0000267500000000, -0.0002030200000000, 0.0014356800000000 ] - [ -0.0000267500000000, 0.0002030200000000, 0.0014356800000000 ] - [ 0.0001195000000000, -0.0002309600000000, -0.0000899900000000 ] - [ -0.0000807600000000, -0.0000886800000000, 0.0000105300000000 ] - [ -0.0000807600000000, 0.0000886800000000, 0.0000105300000000 ] - [ 0.0001195000000000, 0.0002309600000000, -0.0000899900000000 ] - [ 0.0004083300000000, 0.0000000000000000, 0.0003613700000000 ] - [ 0.0002238600000000, 0.0000000000000000, 0.0002089600000000 ] - [ 0.0017292700000000, 0.0000000000000000, 0.0002174600000000 ] - [ 0.0000163200000000, 0.0000000000000000, 0.0001012600000000 ] - [ 0.0000154900000000, 0.0000000000000000, 0.0004121600000000 ] - [ -0.0001587200000000, 0.0000000000000000, 0.0003024400000000 ] - [ 0.0000746400000000, -0.0000097800000000, 0.0001104500000000 ] - [ 0.0000746400000000, 0.0000097800000000, 0.0001104500000000 ] - [ 0.0005811200000000, -0.0002275300000000, 0.0001398400000000 ] - [ 0.0005378500000000, -0.0002837600000000, 0.0001251700000000 ] - [ 0.0001971600000000, -0.0000292700000000, -0.0001337600000000 ] - [ 0.0001732200000000, -0.0001015500000000, -0.0001641500000000 ] - [ 0.0004526300000000, -0.0000012200000000, 0.0003538700000000 ] - [ 0.0004609400000000, 0.0002700800000000, 0.0002228100000000 ] - [ 0.0001732200000000, 0.0001015500000000, -0.0001641500000000 ] - [ 0.0001971600000000, 0.0000292700000000, -0.0001337600000000 ] - [ 0.0005378500000000, 0.0002837600000000, 0.0001251700000000 ] - [ 0.0005811200000000, 0.0002275300000000, 0.0001398400000000 ] - [ 0.0005414900000000, 0.0000657300000000, -0.0006918100000000 ] - [ 0.0003958400000000, 0.0004173300000000, -0.0003053800000000 ] - [ 0.0004472200000000, -0.0005063900000000, 0.0000902200000000 ] - [ 0.0004472200000000, 0.0005063900000000, 0.0000902200000000 ] - [ 0.0003958400000000, -0.0004173300000000, -0.0003053800000000 ] - [ 0.0005414900000000, -0.0000657300000000, -0.0006918100000000 ] - [ 0.0004609400000000, -0.0002700800000000, 0.0002228100000000 ] - [ 0.0004526300000000, 0.0000012200000000, 0.0003538700000000 ] - [ -0.0008456700000000, -0.0010416700000000, -0.0000585800000000 ] - [ 0.0031132700000000, 0.0042885400000000, -0.0058380800000000 ] - [ 0.0031132700000000, -0.0042885400000000, -0.0058380800000000 ] - [ -0.0008456700000000, 0.0010416700000000, -0.0000585800000000 ]- atom: 45 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0008212700000000, 0.0000000000000000, 0.0012151100000000 ] - [ 0.0002932600000000, 0.0000000000000000, 0.0001537700000000 ] - [ 0.0012249700000000, 0.0000134900000000, 0.0004915800000000 ] - [ 0.0012249700000000, -0.0000134900000000, 0.0004915800000000 ] - [ -0.0009526300000000, 0.0003888100000000, -0.0006738800000000 ] - [ -0.0009526300000000, -0.0003888100000000, -0.0006738800000000 ] - [ 0.0025601100000000, 0.0000000000000000, -0.0032847000000000 ] - [ 0.0002328900000000, 0.0000000000000000, -0.0006211500000000 ] - [ -0.0087575100000000, 0.0000000000000000, 0.0010195300000000 ] - [ -0.0027057400000000, 0.0000000000000000, -0.0006365800000000 ] - [ -0.0123344000000000, 0.0000000000000000, 0.0007847800000000 ] - [ -0.0011395200000000, 0.0000000000000000, -0.0001943300000000 ] - [ 0.0021673300000000, 0.0024790500000000, -0.0016049300000000 ] - [ 0.0021673300000000, -0.0024790500000000, -0.0016049300000000 ] - [ 0.0029765300000000, 0.0036164900000000, 0.0003224700000000 ] - [ 0.0029765300000000, -0.0036164900000000, 0.0003224700000000 ] - [ 0.0015103900000000, 0.0000000000000000, 0.0002258300000000 ] - [ 0.0010644400000000, 0.0000000000000000, 0.0002679100000000 ] - [ 0.0003513900000000, 0.0000000000000000, -0.0019906000000000 ] - [ 0.0005605500000000, 0.0000000000000000, -0.0004289900000000 ] - [ 0.0006582300000000, -0.0000138700000000, 0.0008534700000000 ] - [ 0.0006582300000000, 0.0000138700000000, 0.0008534700000000 ] - [ 0.0007472600000000, -0.0000128400000000, 0.0010634900000000 ] - [ 0.0007472600000000, 0.0000128400000000, 0.0010634900000000 ] - [ 0.0015991800000000, 0.0000000000000000, 0.0014951400000000 ] - [ 0.0011421300000000, 0.0000000000000000, 0.0011476400000000 ] - [ 0.0010575500000000, 0.0000000000000000, -0.0008494400000000 ] - [ 0.0012142100000000, 0.0000000000000000, -0.0001228400000000 ] - [ 0.0029354700000000, -0.0037624700000000, -0.0012602800000000 ] - [ 0.0029354700000000, 0.0037624700000000, -0.0012602800000000 ] - [ 0.0021369700000000, -0.0025116700000000, 0.0010955300000000 ] - [ 0.0021369700000000, 0.0025116700000000, 0.0010955300000000 ] - [ -0.0028961600000000, 0.0000000000000000, 0.0040831400000000 ] - [ -0.0002749300000000, 0.0000000000000000, 0.0005890700000000 ] - [ -0.0001861500000000, 0.0031075500000000, -0.0054571200000000 ] - [ 0.0005449400000000, -0.0007130400000000, -0.0001791500000000 ] - [ 0.0005449400000000, 0.0007130400000000, -0.0001791500000000 ] - [ -0.0001861500000000, -0.0031075500000000, -0.0054571200000000 ] - [ -0.0006421900000000, -0.0001731100000000, 0.0017904600000000 ] - [ -0.0006421900000000, 0.0001731100000000, 0.0017904600000000 ] - [ -0.0004900700000000, -0.0003248800000000, -0.0006223000000000 ] - [ -0.0004900700000000, 0.0003248800000000, -0.0006223000000000 ] - [ -0.0006273700000000, -0.0004949400000000, 0.0009406800000000 ] - [ -0.0006273700000000, 0.0004949400000000, 0.0009406800000000 ] - [ 0.0282601600000000, 0.0000000000000000, -0.0072565600000000 ] - [ 0.0002315800000000, 0.0000000000000000, -0.0000964400000000 ] - [ 0.0005991400000000, -0.0005479900000000, 0.0001588800000000 ] - [ -0.0011320200000000, 0.0038065500000000, 0.0065768300000000 ] - [ 0.0007690900000000, -0.0007683600000000, -0.0001756500000000 ] - [ -0.0024994300000000, 0.0043563700000000, -0.0054944700000000 ] - [ -0.0005987700000000, -0.0007924000000000, 0.0003355200000000 ] - [ -0.0009233000000000, -0.0005953000000000, 0.0006872700000000 ] - [ -0.0024994300000000, -0.0043563700000000, -0.0054944700000000 ] - [ 0.0007690900000000, 0.0007683600000000, -0.0001756500000000 ] - [ -0.0011320200000000, -0.0038065500000000, 0.0065768300000000 ] - [ 0.0005991400000000, 0.0005479900000000, 0.0001588800000000 ] - [ -0.0008906800000000, -0.0007334900000000, -0.0001918600000000 ] - [ -0.0009992100000000, -0.0004541700000000, -0.0002583400000000 ] - [ -0.0002170700000000, 0.0000000000000000, 0.0003485600000000 ] - [ 0.0001003900000000, 0.0000000000000000, -0.0001907200000000 ] - [ -0.0009992100000000, 0.0004541700000000, -0.0002583400000000 ] - [ -0.0008906800000000, 0.0007334900000000, -0.0001918600000000 ] - [ -0.0009233000000000, 0.0005953000000000, 0.0006872700000000 ] - [ -0.0005987700000000, 0.0007924000000000, 0.0003355200000000 ] - [ -0.0005873300000000, -0.0004900100000000, 0.0000574900000000 ] - [ -0.0005707100000000, -0.0004897200000000, 0.0000157800000000 ] - [ -0.0005707100000000, 0.0004897200000000, 0.0000157800000000 ] - [ -0.0005873300000000, 0.0004900100000000, 0.0000574900000000 ] - [ -0.0008837600000000, 0.0002023400000000, -0.0010451600000000 ] - [ -0.0008837600000000, -0.0002023400000000, -0.0010451600000000 ] - [ -0.0001950900000000, 0.0000220400000000, -0.0001843900000000 ] - [ -0.0000188700000000, -0.0000980500000000, -0.0002907800000000 ] - [ -0.0000188700000000, 0.0000980500000000, -0.0002907800000000 ] - [ -0.0001950900000000, -0.0000220400000000, -0.0001843900000000 ] - [ -0.0005198400000000, 0.0000000000000000, -0.0007576100000000 ] - [ -0.0003374300000000, 0.0000000000000000, -0.0006106200000000 ] - [ -0.0015630500000000, 0.0000000000000000, 0.0008493800000000 ] - [ 0.0001645600000000, 0.0000000000000000, 0.0006942100000000 ] - [ -0.0005646200000000, 0.0000000000000000, -0.0001724300000000 ] - [ -0.0003793100000000, 0.0000000000000000, -0.0001091100000000 ] - [ -0.0000696200000000, 0.0000075600000000, -0.0009719500000000 ] - [ -0.0000696200000000, -0.0000075600000000, -0.0009719500000000 ] - [ -0.0003224700000000, 0.0001501400000000, -0.0003409500000000 ] - [ -0.0002826100000000, 0.0002121500000000, -0.0003273600000000 ] - [ -0.0002699300000000, 0.0002210800000000, -0.0001227900000000 ] - [ -0.0002645900000000, 0.0003154800000000, -0.0000963400000000 ] - [ -0.0008765100000000, -0.0003835600000000, -0.0002122600000000 ] - [ -0.0008774300000000, -0.0006487000000000, -0.0000825500000000 ] - [ -0.0002645900000000, -0.0003154800000000, -0.0000963400000000 ] - [ -0.0002699300000000, -0.0002210800000000, -0.0001227900000000 ] - [ -0.0002826100000000, -0.0002121500000000, -0.0003273600000000 ] - [ -0.0003224700000000, -0.0001501400000000, -0.0003409500000000 ] - [ -0.0009987100000000, -0.0005372200000000, 0.0006769100000000 ] - [ -0.0008362400000000, -0.0008651800000000, 0.0002729300000000 ] - [ -0.0000252900000000, 0.0005028500000000, -0.0002245600000000 ] - [ -0.0000252900000000, -0.0005028500000000, -0.0002245600000000 ] - [ -0.0008362400000000, 0.0008651800000000, 0.0002729300000000 ] - [ -0.0009987100000000, 0.0005372200000000, 0.0006769100000000 ] - [ -0.0008774300000000, 0.0006487000000000, -0.0000825500000000 ] - [ -0.0008765100000000, 0.0003835600000000, -0.0002122600000000 ] - [ 0.0007530400000000, 0.0007806900000000, 0.0004262700000000 ] - [ -0.0032292300000000, -0.0046074800000000, 0.0062755000000000 ] - [ -0.0032292300000000, 0.0046074800000000, 0.0062755000000000 ] - [ 0.0007530400000000, -0.0007806900000000, 0.0004262700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001625100000000, 0.0016015100000000, -0.0001575600000000 ] - [ 0.0001585800000000, -0.0006991700000000, -0.0001657400000000 ] - [ 0.0005194700000000, 0.0000181000000000, 0.0000384700000000 ] - [ 0.0005191100000000, 0.0000051500000000, 0.0000810100000000 ] - [ 0.0002870800000000, -0.0008409400000000, 0.0011367800000000 ] - [ 0.0000194400000000, -0.0008724100000000, -0.0014222400000000 ] - [ 0.0005268600000000, 0.0028797600000000, 0.0000687600000000 ] - [ 0.0005229000000000, -0.0011415700000000, 0.0000665500000000 ] - [ -0.0001563500000000, 0.0084775900000000, -0.0006950200000000 ] - [ -0.0001893500000000, -0.0029290100000000, -0.0001722800000000 ] - [ 0.0003358800000000, 0.0132811600000000, 0.0008071300000000 ] - [ 0.0003273200000000, -0.0030512500000000, 0.0001581900000000 ] - [ -0.0022784300000000, -0.0021140400000000, 0.0012831000000000 ] - [ 0.0024420000000000, -0.0021133200000000, 0.0000158700000000 ] - [ -0.0027743600000000, -0.0033108700000000, -0.0006422300000000 ] - [ 0.0036786800000000, -0.0032984700000000, 0.0006710900000000 ] - [ -0.0000569500000000, 0.0012318700000000, -0.0000969200000000 ] - [ -0.0000521000000000, -0.0013170800000000, -0.0001091200000000 ] - [ -0.0000057300000000, 0.0016723300000000, -0.0001415100000000 ] - [ -0.0000014000000000, -0.0012437100000000, -0.0001899100000000 ] - [ -0.0001180000000000, -0.0000472200000000, 0.0008198500000000 ] - [ -0.0002712700000000, -0.0000655400000000, -0.0011542100000000 ] - [ 0.0003233300000000, -0.0000996600000000, -0.0003264700000000 ] - [ 0.0003508600000000, -0.0001132300000000, 0.0006309000000000 ] - [ 0.0000972100000000, 0.0013389400000000, 0.0006337800000000 ] - [ 0.0000969000000000, -0.0013600000000000, 0.0006449100000000 ] - [ 0.0004634000000000, 0.0018696200000000, -0.0000477500000000 ] - [ 0.0004597900000000, -0.0014963700000000, 0.0000089900000000 ] - [ 0.0025456700000000, -0.0027438000000000, -0.0004412500000000 ] - [ -0.0026060300000000, -0.0027471100000000, 0.0002282100000000 ] - [ 0.0036846300000000, -0.0031045100000000, 0.0008026800000000 ] - [ -0.0036566800000000, -0.0030855300000000, -0.0011760000000000 ] - [ -0.0004596600000000, 0.0026094100000000, 0.0000620400000000 ] - [ -0.0004541600000000, 0.0003464100000000, 0.0002080400000000 ] - [ -0.0039329800000000, 0.0022383000000000, -0.0059354900000000 ] - [ -0.0006377700000000, 0.0011374600000000, -0.0000421900000000 ] - [ 0.0005625100000000, 0.0013479300000000, -0.0002445200000000 ] - [ 0.0038087000000000, 0.0024334300000000, 0.0055966100000000 ] - [ -0.0000068000000000, 0.0007026900000000, -0.0002763100000000 ] - [ -0.0001098100000000, 0.0007010900000000, -0.0001243500000000 ] - [ 0.0005606100000000, 0.0003161200000000, 0.0013180400000000 ] - [ -0.0003751300000000, 0.0003155700000000, -0.0005111600000000 ] - [ 0.0002827100000000, 0.0002794300000000, -0.0002325100000000 ] - [ -0.0008181500000000, 0.0002833100000000, 0.0004165400000000 ] - [ -0.0000111300000000, -0.0263864400000000, -0.0005405900000000 ] - [ 0.0000050500000000, 0.0005749000000000, -0.0004369800000000 ] - [ -0.0002214500000000, 0.0010611700000000, -0.0001445900000000 ] - [ -0.0029953100000000, 0.0003876600000000, 0.0059580700000000 ] - [ -0.0005531300000000, 0.0012949700000000, 0.0001074100000000 ] - [ -0.0049885800000000, 0.0018743800000000, -0.0053670100000000 ] - [ 0.0005236700000000, 0.0008867500000000, -0.0000607300000000 ] - [ -0.0008299600000000, -0.0008494100000000, -0.0000171100000000 ] - [ 0.0049508800000000, 0.0016662600000000, 0.0051660300000000 ] - [ 0.0004749100000000, 0.0010903800000000, -0.0003578200000000 ] - [ 0.0032871600000000, 0.0004480600000000, -0.0062252700000000 ] - [ 0.0004828300000000, 0.0011321400000000, -0.0000686300000000 ] - [ 0.0004901800000000, 0.0005780600000000, 0.0000974800000000 ] - [ -0.0009259000000000, -0.0008209600000000, -0.0000964700000000 ] - [ 0.0002118400000000, 0.0000457600000000, -0.0000911300000000 ] - [ 0.0002078700000000, 0.0001707300000000, -0.0000622300000000 ] - [ 0.0005015100000000, -0.0003859000000000, 0.0000661300000000 ] - [ -0.0009193800000000, 0.0010171600000000, -0.0001236300000000 ] - [ 0.0004304000000000, -0.0004890000000000, 0.0001439800000000 ] - [ -0.0009421200000000, 0.0012633800000000, 0.0001923200000000 ] - [ -0.0002173200000000, -0.0004147800000000, 0.0000729200000000 ] - [ 0.0002631200000000, 0.0002638200000000, 0.0003770400000000 ] - [ -0.0003504500000000, 0.0005227600000000, -0.0000012700000000 ] - [ 0.0001276100000000, -0.0001505700000000, 0.0003028900000000 ] - [ -0.0009318100000000, 0.0003651500000000, -0.0012654600000000 ] - [ 0.0000201400000000, 0.0003637400000000, 0.0016546100000000 ] - [ -0.0002016900000000, 0.0001727500000000, -0.0000984800000000 ] - [ 0.0000328200000000, -0.0003432700000000, -0.0003653400000000 ] - [ -0.0001302100000000, -0.0001552800000000, 0.0000789600000000 ] - [ 0.0001217200000000, 0.0003796800000000, -0.0001831700000000 ] - [ -0.0000558400000000, -0.0002408300000000, -0.0001995400000000 ] - [ -0.0000572500000000, 0.0002990900000000, -0.0002004300000000 ] - [ 0.0000809800000000, 0.0009127200000000, 0.0005407300000000 ] - [ 0.0000912400000000, 0.0005855300000000, 0.0003985200000000 ] - [ -0.0002738900000000, -0.0001216300000000, 0.0001199200000000 ] - [ -0.0002686800000000, 0.0001794800000000, 0.0000945300000000 ] - [ 0.0000131300000000, 0.0000215500000000, -0.0005526700000000 ] - [ -0.0000027900000000, 0.0000242100000000, -0.0003068200000000 ] - [ 0.0001899200000000, -0.0002819000000000, -0.0000829400000000 ] - [ -0.0000310400000000, 0.0002688200000000, -0.0002210100000000 ] - [ 0.0001525300000000, -0.0003607000000000, -0.0003181600000000 ] - [ -0.0002012100000000, 0.0005273700000000, 0.0000714300000000 ] - [ -0.0010612300000000, -0.0008972900000000, 0.0000436100000000 ] - [ 0.0006588400000000, 0.0006875600000000, 0.0000946900000000 ] - [ 0.0001128600000000, 0.0003128500000000, -0.0003231000000000 ] - [ -0.0002168900000000, -0.0005468200000000, 0.0000704800000000 ] - [ 0.0002896700000000, 0.0003383800000000, 0.0000127200000000 ] - [ 0.0000711100000000, -0.0002081700000000, -0.0001234600000000 ] - [ -0.0007706700000000, -0.0007778800000000, -0.0001872100000000 ] - [ 0.0005153100000000, 0.0008024500000000, -0.0001005200000000 ] - [ -0.0003042100000000, 0.0002769600000000, -0.0000305000000000 ] - [ 0.0007189100000000, 0.0002832100000000, -0.0000883500000000 ] - [ -0.0009520900000000, 0.0012436200000000, 0.0000749100000000 ] - [ 0.0003106300000000, -0.0003086800000000, 0.0001740100000000 ] - [ -0.0010857400000000, 0.0010722500000000, 0.0000362500000000 ] - [ 0.0006289500000000, -0.0005058900000000, 0.0000895000000000 ] - [ 0.0005693700000000, 0.0011162800000000, 0.0003215900000000 ] - [ 0.0040265100000000, 0.0003989000000000, -0.0054244700000000 ] - [ -0.0041709800000000, 0.0006596600000000, 0.0058543500000000 ] - [ -0.0006657700000000, 0.0013825100000000, 0.0000571900000000 ]- atom: 45 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0068500600000000, 0.0000000000000000, -0.0036802800000000 ] - [ -0.0004724000000000, 0.0000000000000000, -0.0013274700000000 ] - [ -0.0022931700000000, -0.0002829800000000, -0.0011898000000000 ] - [ -0.0022931700000000, 0.0002829800000000, -0.0011898000000000 ] - [ 0.0009577700000000, 0.0070007400000000, -0.0063273800000000 ] - [ 0.0009577700000000, -0.0070007400000000, -0.0063273800000000 ] - [ 0.0185930100000000, 0.0000000000000000, -0.0118717500000000 ] - [ 0.0019398500000000, 0.0000000000000000, -0.0018995800000000 ] - [ -0.0037364200000000, 0.0000000000000000, 0.0327452500000000 ] - [ 0.0016456800000000, 0.0000000000000000, 0.0019339500000000 ] - [ -0.0040205100000000, 0.0000000000000000, 0.0835461900000000 ] - [ 0.0026672800000000, 0.0000000000000000, 0.0029122700000000 ] - [ 0.0161166000000000, 0.0092124100000000, 0.0026296700000000 ] - [ 0.0161166000000000, -0.0092124100000000, 0.0026296700000000 ] - [ -0.0099560200000000, -0.0118385600000000, 0.0052511100000000 ] - [ -0.0099560200000000, 0.0118385600000000, 0.0052511100000000 ] - [ -0.0045705800000000, 0.0000000000000000, -0.0037979600000000 ] - [ -0.0041249700000000, 0.0000000000000000, -0.0004483500000000 ] - [ 0.0045162800000000, 0.0000000000000000, -0.0229568200000000 ] - [ 0.0034184500000000, 0.0000000000000000, -0.0012664300000000 ] - [ -0.0044308500000000, 0.0010177400000000, -0.0056739600000000 ] - [ -0.0044308500000000, -0.0010177400000000, -0.0056739600000000 ] - [ -0.0030578200000000, -0.0030827600000000, -0.0035926000000000 ] - [ -0.0030578200000000, 0.0030827600000000, -0.0035926000000000 ] - [ -0.0045634300000000, 0.0000000000000000, -0.0033990300000000 ] - [ -0.0042667200000000, 0.0000000000000000, -0.0002812000000000 ] - [ 0.0035520000000000, 0.0000000000000000, -0.0163709100000000 ] - [ 0.0031588400000000, 0.0000000000000000, -0.0014956500000000 ] - [ 0.0190236100000000, -0.0141871600000000, 0.0034580400000000 ] - [ 0.0190236100000000, 0.0141871600000000, 0.0034580400000000 ] - [ -0.0152421200000000, 0.0122138000000000, 0.0046410200000000 ] - [ -0.0152421200000000, -0.0122138000000000, 0.0046410200000000 ] - [ -0.0019467100000000, 0.0000000000000000, 0.0520001500000000 ] - [ -0.0010736000000000, 0.0000000000000000, 0.0015714500000000 ] - [ 0.0219249800000000, -0.0230641200000000, 0.0037324900000000 ] - [ -0.0009365600000000, 0.0026220000000000, -0.0003874700000000 ] - [ -0.0009365600000000, -0.0026220000000000, -0.0003874700000000 ] - [ 0.0219249800000000, 0.0230641200000000, 0.0037324900000000 ] - [ -0.0047115700000000, -0.0007255400000000, 0.0049017700000000 ] - [ -0.0047115700000000, 0.0007255400000000, 0.0049017700000000 ] - [ 0.0021073900000000, 0.0015085100000000, 0.0026673700000000 ] - [ 0.0021073900000000, -0.0015085100000000, 0.0026673700000000 ] - [ -0.0004175700000000, -0.0001213500000000, -0.0076054300000000 ] - [ -0.0004175700000000, 0.0001213500000000, -0.0076054300000000 ] - [ 0.0209907500000000, 0.0000000000000000, -0.2510382100000000 ] - [ -0.0001520700000000, 0.0000000000000000, -0.0045765000000000 ] - [ -0.0016607900000000, -0.0010059200000000, 0.0000631600000000 ] - [ -0.0221861800000000, 0.0228381400000000, 0.0136879500000000 ] - [ -0.0012078500000000, 0.0022895300000000, -0.0000959100000000 ] - [ 0.0192417600000000, -0.0157816600000000, 0.0035067100000000 ] - [ -0.0029075900000000, -0.0029508800000000, 0.0006112000000000 ] - [ -0.0076605700000000, -0.0046052700000000, 0.0022501800000000 ] - [ 0.0192417600000000, 0.0157816600000000, 0.0035067100000000 ] - [ -0.0012078500000000, -0.0022895300000000, -0.0000959100000000 ] - [ -0.0221861800000000, -0.0228381400000000, 0.0136879500000000 ] - [ -0.0016607900000000, 0.0010059200000000, 0.0000631600000000 ] - [ 0.0026042100000000, 0.0018361300000000, 0.0001648400000000 ] - [ 0.0023970600000000, 0.0001417000000000, 0.0001160000000000 ] - [ -0.0006919400000000, 0.0000000000000000, 0.0075040600000000 ] - [ 0.0002439100000000, 0.0000000000000000, -0.0003189400000000 ] - [ 0.0023970600000000, -0.0001417000000000, 0.0001160000000000 ] - [ 0.0026042100000000, -0.0018361300000000, 0.0001648400000000 ] - [ -0.0076605700000000, 0.0046052700000000, 0.0022501800000000 ] - [ -0.0029075900000000, 0.0029508800000000, 0.0006112000000000 ] - [ 0.0025978200000000, 0.0017096000000000, 0.0008927000000000 ] - [ 0.0020560100000000, 0.0012940300000000, 0.0008910800000000 ] - [ 0.0020560100000000, -0.0012940300000000, 0.0008910800000000 ] - [ 0.0025978200000000, -0.0017096000000000, 0.0008927000000000 ] - [ 0.0018555300000000, -0.0013038000000000, 0.0047953500000000 ] - [ 0.0018555300000000, 0.0013038000000000, 0.0047953500000000 ] - [ -0.0007022500000000, 0.0007125200000000, 0.0003703700000000 ] - [ 0.0032727300000000, -0.0033870600000000, 0.0023062700000000 ] - [ 0.0032727300000000, 0.0033870600000000, 0.0023062700000000 ] - [ -0.0007022500000000, -0.0007125200000000, 0.0003703700000000 ] - [ 0.0017112900000000, 0.0000000000000000, 0.0024293100000000 ] - [ 0.0009792300000000, 0.0000000000000000, 0.0008670300000000 ] - [ -0.0056597300000000, 0.0000000000000000, 0.0361305900000000 ] - [ -0.0005182600000000, 0.0000000000000000, 0.0018831000000000 ] - [ -0.0014895300000000, 0.0000000000000000, 0.0060797100000000 ] - [ -0.0002025300000000, 0.0000000000000000, 0.0001260500000000 ] - [ 0.0004187700000000, 0.0001045900000000, 0.0028451000000000 ] - [ 0.0004187700000000, -0.0001045900000000, 0.0028451000000000 ] - [ 0.0023082800000000, -0.0005529800000000, 0.0009430600000000 ] - [ 0.0021412200000000, -0.0014596700000000, 0.0005232800000000 ] - [ 0.0017755100000000, -0.0018035200000000, 0.0017556200000000 ] - [ 0.0000278800000000, 0.0010266700000000, 0.0010218100000000 ] - [ 0.0027384900000000, 0.0009746500000000, 0.0003208800000000 ] - [ 0.0034530200000000, 0.0024337400000000, 0.0002692600000000 ] - [ 0.0000278800000000, -0.0010266700000000, 0.0010218100000000 ] - [ 0.0017755100000000, 0.0018035200000000, 0.0017556200000000 ] - [ 0.0021412200000000, 0.0014596700000000, 0.0005232800000000 ] - [ 0.0023082800000000, 0.0005529800000000, 0.0009430600000000 ] - [ -0.0069215400000000, -0.0038636300000000, 0.0031663400000000 ] - [ -0.0039698400000000, -0.0024554100000000, 0.0014846300000000 ] - [ 0.0001686800000000, 0.0003161200000000, -0.0092092200000000 ] - [ 0.0001686800000000, -0.0003161200000000, -0.0092092200000000 ] - [ -0.0039698400000000, 0.0024554100000000, 0.0014846300000000 ] - [ -0.0069215400000000, 0.0038636300000000, 0.0031663400000000 ] - [ 0.0034530200000000, -0.0024337400000000, 0.0002692600000000 ] - [ 0.0027384900000000, -0.0009746500000000, 0.0003208800000000 ] - [ -0.0009540300000000, 0.0009435800000000, 0.0005435200000000 ] - [ -0.0275095600000000, -0.0238822200000000, 0.0117709600000000 ] - [ -0.0275095600000000, 0.0238822200000000, 0.0117709600000000 ] - [ -0.0009540300000000, -0.0009435800000000, 0.0005435200000000 ]- atom: 45 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0071386200000000, 0.0000000000000000, 0.0033983800000000 ] - [ 0.0007855400000000, 0.0000000000000000, 0.0009987100000000 ] - [ 0.0033294900000000, 0.0002970000000000, 0.0013116000000000 ] - [ 0.0033294900000000, -0.0002970000000000, 0.0013116000000000 ] - [ -0.0006357500000000, -0.0069864100000000, 0.0059984200000000 ] - [ -0.0006357500000000, 0.0069864100000000, 0.0059984200000000 ] - [ -0.0175014100000000, 0.0000000000000000, 0.0119776300000000 ] - [ -0.0008799700000000, 0.0000000000000000, 0.0020341000000000 ] - [ 0.0038321200000000, 0.0000000000000000, -0.0280077000000000 ] - [ -0.0020494900000000, 0.0000000000000000, -0.0022485000000000 ] - [ 0.0041044800000000, 0.0000000000000000, -0.0909706800000000 ] - [ -0.0019855800000000, 0.0000000000000000, -0.0026123700000000 ] - [ -0.0159016800000000, -0.0092420200000000, -0.0014077900000000 ] - [ -0.0159016800000000, 0.0092420200000000, -0.0014077900000000 ] - [ 0.0108971200000000, 0.0118549600000000, -0.0051940200000000 ] - [ 0.0108971200000000, -0.0118549600000000, -0.0051940200000000 ] - [ 0.0044804700000000, 0.0000000000000000, 0.0035601000000000 ] - [ 0.0040246500000000, 0.0000000000000000, 0.0002274100000000 ] - [ -0.0045152500000000, 0.0000000000000000, 0.0224219700000000 ] - [ -0.0034199300000000, 0.0000000000000000, 0.0008855700000000 ] - [ 0.0040581600000000, -0.0010167100000000, 0.0053004500000000 ] - [ 0.0040581600000000, 0.0010167100000000, 0.0053004500000000 ] - [ 0.0036951900000000, 0.0030634700000000, 0.0039050500000000 ] - [ 0.0036951900000000, -0.0030634700000000, 0.0039050500000000 ] - [ 0.0047227800000000, 0.0000000000000000, 0.0046944600000000 ] - [ 0.0044414100000000, 0.0000000000000000, 0.0015773600000000 ] - [ -0.0026236500000000, 0.0000000000000000, 0.0164006800000000 ] - [ -0.0022263500000000, 0.0000000000000000, 0.0015082600000000 ] - [ -0.0190407500000000, 0.0140982800000000, -0.0035631900000000 ] - [ -0.0190407500000000, -0.0140982800000000, -0.0035631900000000 ] - [ 0.0151562700000000, -0.0121483100000000, -0.0050138700000000 ] - [ 0.0151562700000000, 0.0121483100000000, -0.0050138700000000 ] - [ 0.0009730700000000, 0.0000000000000000, -0.0510145600000000 ] - [ 0.0001674000000000, 0.0000000000000000, -0.0011682000000000 ] - [ -0.0220616000000000, 0.0228944300000000, -0.0038354300000000 ] - [ 0.0008565300000000, -0.0028170400000000, 0.0001100600000000 ] - [ 0.0008565300000000, 0.0028170400000000, 0.0001100600000000 ] - [ -0.0220616000000000, -0.0228944300000000, -0.0038354300000000 ] - [ 0.0045791600000000, 0.0007398000000000, -0.0052932200000000 ] - [ 0.0045791600000000, -0.0007398000000000, -0.0052932200000000 ] - [ -0.0019225800000000, -0.0015086800000000, -0.0018747600000000 ] - [ -0.0019225800000000, 0.0015086800000000, -0.0018747600000000 ] - [ -0.0001417900000000, 0.0001069700000000, 0.0078128900000000 ] - [ -0.0001417900000000, -0.0001069700000000, 0.0078128900000000 ] - [ -0.0206854900000000, 0.0000000000000000, 0.2523430000000000 ] - [ 0.0001609000000000, 0.0000000000000000, 0.0037045200000000 ] - [ 0.0019042800000000, 0.0009369700000000, -0.0002591800000000 ] - [ 0.0225734300000000, -0.0230817600000000, -0.0138958700000000 ] - [ 0.0011223600000000, -0.0020849500000000, -0.0001638300000000 ] - [ -0.0192368500000000, 0.0159193200000000, -0.0038816700000000 ] - [ 0.0024954800000000, 0.0025849900000000, -0.0004735900000000 ] - [ 0.0072132500000000, 0.0042049900000000, -0.0020934100000000 ] - [ -0.0192368500000000, -0.0159193200000000, -0.0038816700000000 ] - [ 0.0011223600000000, 0.0020849500000000, -0.0001638300000000 ] - [ 0.0225734300000000, 0.0230817600000000, -0.0138958700000000 ] - [ 0.0019042800000000, -0.0009369700000000, -0.0002591800000000 ] - [ -0.0030291800000000, -0.0022742200000000, -0.0001967700000000 ] - [ -0.0028334100000000, -0.0005861000000000, -0.0001511100000000 ] - [ 0.0010973700000000, 0.0000000000000000, -0.0075774400000000 ] - [ 0.0001729400000000, 0.0000000000000000, 0.0001952300000000 ] - [ -0.0028334100000000, 0.0005861000000000, -0.0001511100000000 ] - [ -0.0030291800000000, 0.0022742200000000, -0.0001967700000000 ] - [ 0.0072132500000000, -0.0042049900000000, -0.0020934100000000 ] - [ 0.0024954800000000, -0.0025849900000000, -0.0004735900000000 ] - [ -0.0026845300000000, -0.0019667600000000, -0.0005147900000000 ] - [ -0.0021434900000000, -0.0015540400000000, -0.0005123400000000 ] - [ -0.0021434900000000, 0.0015540400000000, -0.0005123400000000 ] - [ -0.0026845300000000, 0.0019667600000000, -0.0005147900000000 ] - [ -0.0027517400000000, 0.0012954000000000, -0.0043633000000000 ] - [ -0.0027517400000000, -0.0012954000000000, -0.0043633000000000 ] - [ 0.0006217500000000, -0.0009148900000000, -0.0006514100000000 ] - [ -0.0033207400000000, 0.0031562400000000, -0.0025763100000000 ] - [ -0.0033207400000000, -0.0031562400000000, -0.0025763100000000 ] - [ 0.0006217500000000, 0.0009148900000000, -0.0006514100000000 ] - [ -0.0018246200000000, 0.0000000000000000, -0.0028240700000000 ] - [ -0.0010946100000000, 0.0000000000000000, -0.0012704200000000 ] - [ 0.0059261600000000, 0.0000000000000000, -0.0355715100000000 ] - [ 0.0007000600000000, 0.0000000000000000, -0.0010714900000000 ] - [ 0.0009629700000000, 0.0000000000000000, -0.0059004400000000 ] - [ -0.0003340000000000, 0.0000000000000000, 0.0000542700000000 ] - [ -0.0004104700000000, -0.0001039500000000, -0.0036901600000000 ] - [ -0.0004104700000000, 0.0001039500000000, -0.0036901600000000 ] - [ -0.0020395600000000, 0.0004776100000000, -0.0011500100000000 ] - [ -0.0018741500000000, 0.0013810900000000, -0.0007321100000000 ] - [ -0.0018691800000000, 0.0020220600000000, -0.0020047100000000 ] - [ -0.0001218500000000, -0.0008085800000000, -0.0012717700000000 ] - [ -0.0031399200000000, -0.0013488600000000, -0.0001820200000000 ] - [ -0.0038668100000000, -0.0028095600000000, -0.0001351900000000 ] - [ -0.0001218500000000, 0.0008085800000000, -0.0012717700000000 ] - [ -0.0018691800000000, -0.0020220600000000, -0.0020047100000000 ] - [ -0.0018741500000000, -0.0013810900000000, -0.0007321100000000 ] - [ -0.0020395600000000, -0.0004776100000000, -0.0011500100000000 ] - [ 0.0064722100000000, 0.0034161800000000, -0.0031970200000000 ] - [ 0.0035094600000000, 0.0019927400000000, -0.0015104300000000 ] - [ 0.0002700200000000, -0.0003347000000000, 0.0090039200000000 ] - [ 0.0002700200000000, 0.0003347000000000, 0.0090039200000000 ] - [ 0.0035094600000000, -0.0019927400000000, -0.0015104300000000 ] - [ 0.0064722100000000, -0.0034161800000000, -0.0031970200000000 ] - [ -0.0038668100000000, 0.0028095600000000, -0.0001351900000000 ] - [ -0.0031399200000000, 0.0013488600000000, -0.0001820200000000 ] - [ 0.0008777800000000, -0.0011917700000000, -0.0001749500000000 ] - [ 0.0271187900000000, 0.0233037000000000, -0.0113502800000000 ] - [ 0.0271187900000000, -0.0233037000000000, -0.0113502800000000 ] - [ 0.0008777800000000, 0.0011917700000000, -0.0001749500000000 ]- atom: 47 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0013285500000000, 0.0006370000000000, -0.0003179000000000 ] - [ -0.0010077600000000, -0.0007166600000000, 0.0001339200000000 ] - [ -0.0019483700000000, -0.0002382400000000, -0.0014517800000000 ] - [ -0.0012477000000000, 0.0000950100000000, -0.0009503100000000 ] - [ 0.0125219100000000, -0.0049096700000000, -0.0029401400000000 ] - [ 0.0024872900000000, 0.0040175600000000, -0.0024152700000000 ] - [ 0.0036462700000000, 0.0047693800000000, 0.0028735400000000 ] - [ 0.0087997000000000, -0.0096591900000000, 0.0084293000000000 ] - [ 0.0011892100000000, 0.0028970100000000, 0.0043267200000000 ] - [ 0.0010742900000000, -0.0021318300000000, 0.0195589600000000 ] - [ 0.0105248900000000, 0.0027195000000000, 0.0022599500000000 ] - [ 0.0365929900000000, -0.0201771000000000, -0.0166941600000000 ] - [ 0.0186871400000000, 0.0109378400000000, 0.0134453200000000 ] - [ 0.0092636300000000, 0.0036001700000000, 0.0011674400000000 ] - [ 0.0020023600000000, -0.0017351900000000, -0.0133901700000000 ] - [ 0.0006781900000000, 0.0013504300000000, 0.0001569600000000 ] - [ -0.0032977300000000, 0.0014546700000000, -0.0037434500000000 ] - [ -0.0029590200000000, -0.0011456500000000, -0.0041971100000000 ] - [ -0.0104901200000000, 0.0102246900000000, -0.0006206900000000 ] - [ -0.0141252100000000, -0.0129985800000000, 0.0008423500000000 ] - [ -0.0038613000000000, -0.0008827800000000, -0.0051115500000000 ] - [ -0.0037721800000000, 0.0014542000000000, -0.0051591900000000 ] - [ -0.0051716800000000, 0.0003940100000000, -0.0023729700000000 ] - [ -0.0042529400000000, 0.0003395000000000, -0.0012950400000000 ] - [ -0.0043734900000000, 0.0000853800000000, -0.0002877100000000 ] - [ -0.0052410800000000, 0.0008601000000000, -0.0014526600000000 ] - [ 0.0022563200000000, 0.0004698900000000, 0.0004568500000000 ] - [ 0.0023118200000000, -0.0012325300000000, -0.0093875100000000 ] - [ 0.0019856300000000, -0.0025520700000000, 0.0146705100000000 ] - [ 0.0018126300000000, 0.0019707400000000, 0.0035711200000000 ] - [ -0.0154424700000000, -0.0155134300000000, 0.0018396400000000 ] - [ -0.0106553900000000, 0.0104244200000000, -0.0001691900000000 ] - [ 0.0006234600000000, -0.0014274600000000, -0.0031989200000000 ] - [ 0.0004501400000000, 0.0011501900000000, -0.0060744200000000 ] - [ -0.0045932600000000, 0.0061590500000000, -0.0006391000000000 ] - [ 0.0226958400000000, -0.0230857300000000, 0.0078827100000000 ] - [ 0.0382447100000000, 0.0134997800000000, 0.0014814900000000 ] - [ -0.0027212700000000, -0.0035493900000000, -0.0005192800000000 ] - [ 0.0019309600000000, -0.0132730000000000, -0.0259138900000000 ] - [ -0.0016570500000000, -0.0004008300000000, -0.0008307300000000 ] - [ 0.0011072500000000, 0.0001235500000000, 0.0024342200000000 ] - [ 0.0006692200000000, -0.0001767200000000, 0.0003115700000000 ] - [ 0.0001757600000000, -0.0040934500000000, 0.0206445900000000 ] - [ -0.0007928800000000, -0.0002585600000000, -0.0000545100000000 ] - [ -0.0004729200000000, -0.0003509600000000, -0.0029514100000000 ] - [ 0.0012154200000000, -0.0031690200000000, -0.0269329400000000 ] - [ -0.1510305600000000, 0.0925531000000000, 0.0032025600000000 ] - [ -0.0019734600000000, -0.0012576700000000, -0.0003189200000000 ] - [ -0.0038793700000000, 0.0041324100000000, -0.0004008400000000 ] - [ 0.0007391700000000, -0.0010125000000000, -0.0006949700000000 ] - [ 0.0343035000000000, 0.0094904500000000, -0.0015308000000000 ] - [ -0.0023761300000000, -0.0043039100000000, 0.0004796700000000 ] - [ -0.0013220300000000, -0.0016484100000000, 0.0003190500000000 ] - [ -0.0011562900000000, -0.0007241000000000, -0.0011751100000000 ] - [ -0.0106008200000000, -0.0082779000000000, -0.0007601900000000 ] - [ -0.0122688900000000, -0.0090789600000000, 0.0022885300000000 ] - [ 0.0013688800000000, 0.0010146800000000, 0.0010826600000000 ] - [ 0.0002067800000000, -0.0005027400000000, 0.0002232700000000 ] - [ 0.0009035700000000, -0.0007173900000000, 0.0037698600000000 ] - [ 0.0010400800000000, 0.0007408400000000, 0.0035957200000000 ] - [ 0.0018062700000000, -0.0012554900000000, 0.0012336200000000 ] - [ 0.0002240200000000, 0.0003388900000000, 0.0003183900000000 ] - [ 0.0203520000000000, -0.0270348700000000, -0.0073382600000000 ] - [ -0.0033483800000000, 0.0052231800000000, 0.0003597100000000 ] - [ 0.0019217600000000, 0.0012607700000000, 0.0008848100000000 ] - [ 0.0016746400000000, 0.0011824900000000, 0.0008847200000000 ] - [ 0.0017183500000000, -0.0009605400000000, 0.0008495300000000 ] - [ 0.0020669400000000, -0.0017005600000000, 0.0010638300000000 ] - [ 0.0010145400000000, 0.0009896400000000, 0.0041201500000000 ] - [ 0.0012203800000000, -0.0012484400000000, 0.0046094300000000 ] - [ 0.0042771800000000, -0.0014826500000000, -0.0002070700000000 ] - [ 0.0035792400000000, -0.0034996200000000, -0.0007051400000000 ] - [ 0.0026655600000000, 0.0010555000000000, -0.0000040900000000 ] - [ 0.0035591500000000, 0.0028581100000000, -0.0006679800000000 ] - [ 0.0009909000000000, -0.0002586400000000, 0.0012669300000000 ] - [ 0.0010238200000000, 0.0001542300000000, 0.0015719100000000 ] - [ -0.0014268900000000, -0.0002879500000000, -0.0003677800000000 ] - [ 0.0013699900000000, -0.0104151400000000, 0.0227705500000000 ] - [ -0.0001225700000000, -0.0000889500000000, -0.0002391700000000 ] - [ -0.0004342000000000, -0.0001433200000000, 0.0024951100000000 ] - [ 0.0004660600000000, 0.0000587600000000, 0.0025572700000000 ] - [ 0.0004242600000000, -0.0001604900000000, 0.0023267600000000 ] - [ 0.0023183100000000, -0.0010755400000000, 0.0001720600000000 ] - [ 0.0023180400000000, -0.0011695300000000, 0.0000934200000000 ] - [ 0.0004934500000000, 0.0012767600000000, 0.0012966500000000 ] - [ 0.0016740300000000, -0.0013691300000000, 0.0017467400000000 ] - [ 0.0034989000000000, 0.0021897000000000, 0.0005455400000000 ] - [ 0.0021101400000000, 0.0006705700000000, 0.0003688800000000 ] - [ 0.0012560100000000, 0.0008916600000000, 0.0011736500000000 ] - [ -0.0000756500000000, -0.0007198300000000, 0.0003577700000000 ] - [ 0.0029719300000000, 0.0014615700000000, 0.0002054100000000 ] - [ 0.0019757800000000, 0.0007895900000000, 0.0000291900000000 ] - [ -0.0028387400000000, -0.0009562100000000, -0.0011788600000000 ] - [ -0.0028298300000000, -0.0008557100000000, 0.0000695900000000 ] - [ 0.0008446500000000, 0.0005092800000000, -0.0076720500000000 ] - [ 0.0007624500000000, -0.0006807400000000, -0.0041509100000000 ] - [ -0.0048659900000000, 0.0032587200000000, -0.0006470400000000 ] - [ -0.0009396300000000, -0.0005292600000000, -0.0004624300000000 ] - [ 0.0043489400000000, -0.0017120700000000, 0.0003979400000000 ] - [ 0.0033502700000000, -0.0023508500000000, 0.0008193800000000 ] - [ 0.0014240600000000, 0.0009985800000000, -0.0025205200000000 ] - [ -0.0019342700000000, -0.0023283000000000, -0.0005364700000000 ] - [ 0.0001157200000000, -0.0000993100000000, -0.0024121500000000 ] - [ 0.0015093000000000, 0.0008511800000000, -0.0029746200000000 ]- atom: 47 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0016325200000000, -0.0006303800000000, 0.0000271700000000 ] - [ 0.0013175700000000, 0.0007045300000000, -0.0004405600000000 ] - [ 0.0029775600000000, 0.0002530800000000, 0.0015814900000000 ] - [ 0.0022944700000000, -0.0001002700000000, 0.0010688400000000 ] - [ -0.0124820200000000, 0.0046493900000000, 0.0022986800000000 ] - [ -0.0022048200000000, -0.0039806100000000, 0.0020965200000000 ] - [ -0.0025739400000000, -0.0047805800000000, -0.0027377300000000 ] - [ -0.0074253500000000, 0.0098263800000000, -0.0085680000000000 ] - [ -0.0015392400000000, -0.0028927100000000, -0.0046342900000000 ] - [ -0.0014150000000000, 0.0021206600000000, -0.0198841000000000 ] - [ -0.0099396000000000, -0.0027340300000000, -0.0019292800000000 ] - [ -0.0379006000000000, 0.0231289100000000, 0.0177097700000000 ] - [ -0.0170765500000000, -0.0126653500000000, -0.0116608400000000 ] - [ -0.0089753000000000, -0.0035644600000000, 0.0001486200000000 ] - [ -0.0010563400000000, 0.0017258800000000, 0.0133804900000000 ] - [ 0.0002583700000000, -0.0013535000000000, -0.0001072200000000 ] - [ 0.0031880200000000, -0.0014453900000000, 0.0035145500000000 ] - [ 0.0028516700000000, 0.0011438000000000, 0.0039562100000000 ] - [ 0.0104585600000000, -0.0101570800000000, 0.0002678600000000 ] - [ 0.0139672200000000, 0.0128328700000000, -0.0012032600000000 ] - [ 0.0034366800000000, 0.0008815800000000, 0.0047562500000000 ] - [ 0.0033503800000000, -0.0014448400000000, 0.0047973400000000 ] - [ 0.0058014000000000, -0.0003658400000000, 0.0026687300000000 ] - [ 0.0048913800000000, -0.0003520500000000, 0.0016060400000000 ] - [ 0.0045593200000000, -0.0000731200000000, 0.0015677600000000 ] - [ 0.0054225800000000, -0.0008852900000000, 0.0027158700000000 ] - [ -0.0013316300000000, -0.0004780500000000, -0.0004639100000000 ] - [ -0.0014178800000000, 0.0012405200000000, 0.0092856100000000 ] - [ -0.0020525600000000, 0.0025322100000000, -0.0149244000000000 ] - [ -0.0018941900000000, -0.0019593100000000, -0.0038120100000000 ] - [ 0.0155047600000000, 0.0156240600000000, -0.0022267600000000 ] - [ 0.0106467300000000, -0.0104449100000000, -0.0002047700000000 ] - [ -0.0015339800000000, 0.0014176800000000, 0.0035664700000000 ] - [ -0.0013706500000000, -0.0011379600000000, 0.0064442500000000 ] - [ 0.0045810700000000, -0.0064201400000000, 0.0003569600000000 ] - [ -0.0229403200000000, 0.0229322100000000, -0.0082346000000000 ] - [ -0.0389195100000000, -0.0134611200000000, -0.0017752500000000 ] - [ 0.0026608100000000, 0.0037587500000000, 0.0002405600000000 ] - [ -0.0021595100000000, 0.0132617600000000, 0.0253502000000000 ] - [ 0.0015304600000000, 0.0003875300000000, 0.0004311400000000 ] - [ -0.0009216100000000, -0.0001257700000000, -0.0016328800000000 ] - [ -0.0004857900000000, 0.0001785100000000, 0.0004816900000000 ] - [ -0.0007651400000000, 0.0040739300000000, -0.0202905200000000 ] - [ 0.0002515200000000, 0.0002543100000000, 0.0002229300000000 ] - [ 0.0004819700000000, 0.0003538100000000, 0.0020736700000000 ] - [ -0.0011537700000000, 0.0031553900000000, 0.0262103400000000 ] - [ 0.1515902600000000, -0.0934863600000000, -0.0038408100000000 ] - [ 0.0022296100000000, 0.0011791000000000, 0.0001123600000000 ] - [ 0.0037747800000000, -0.0039119100000000, 0.0001297500000000 ] - [ -0.0008307700000000, 0.0012206000000000, 0.0004288200000000 ] - [ -0.0339988600000000, -0.0096643600000000, 0.0016361800000000 ] - [ 0.0019371600000000, 0.0039059400000000, -0.0003412500000000 ] - [ 0.0012165800000000, 0.0014281600000000, -0.0005813100000000 ] - [ 0.0010677400000000, 0.0005175800000000, 0.0009059800000000 ] - [ 0.0108354700000000, 0.0084780900000000, 0.0005542600000000 ] - [ 0.0125676900000000, 0.0089568400000000, -0.0024908000000000 ] - [ -0.0017999400000000, -0.0014539200000000, -0.0011163500000000 ] - [ -0.0006406000000000, 0.0000555100000000, -0.0002601100000000 ] - [ -0.0004837500000000, 0.0007120600000000, -0.0038828000000000 ] - [ -0.0006234800000000, -0.0007335900000000, -0.0036932500000000 ] - [ -0.0022309900000000, 0.0016904600000000, -0.0012701400000000 ] - [ -0.0006569600000000, 0.0001069600000000, -0.0003569000000000 ] - [ -0.0205148100000000, 0.0271961800000000, 0.0073661100000000 ] - [ 0.0028712700000000, -0.0047771100000000, -0.0002274500000000 ] - [ -0.0019986100000000, -0.0015159100000000, -0.0005167900000000 ] - [ -0.0017529400000000, -0.0014366400000000, -0.0005124800000000 ] - [ -0.0017973800000000, 0.0012178200000000, -0.0004781600000000 ] - [ -0.0021475100000000, 0.0019552900000000, -0.0006917200000000 ] - [ -0.0019103400000000, -0.0009935600000000, -0.0037314900000000 ] - [ -0.0021208900000000, 0.0012510100000000, -0.0042145700000000 ] - [ -0.0042992900000000, 0.0012569700000000, -0.0000710400000000 ] - [ -0.0036462100000000, 0.0032830800000000, 0.0004171400000000 ] - [ -0.0027453000000000, -0.0008550300000000, -0.0002723700000000 ] - [ -0.0035977600000000, -0.0026246800000000, 0.0003833700000000 ] - [ -0.0011033600000000, 0.0002560000000000, -0.0016635000000000 ] - [ -0.0011361400000000, -0.0001527800000000, -0.0019722100000000 ] - [ 0.0016161700000000, 0.0003001600000000, 0.0011833800000000 ] - [ -0.0010603700000000, 0.0103625200000000, -0.0219443900000000 ] - [ -0.0004144900000000, 0.0000895400000000, 0.0004524600000000 ] - [ -0.0001033300000000, 0.0001417500000000, -0.0022530400000000 ] - [ -0.0004548500000000, -0.0000601700000000, -0.0033920400000000 ] - [ -0.0004142600000000, 0.0001601500000000, -0.0031643500000000 ] - [ -0.0020484900000000, 0.0009928700000000, -0.0003741600000000 ] - [ -0.0020501300000000, 0.0010957000000000, -0.0002969700000000 ] - [ -0.0005623700000000, -0.0010567900000000, -0.0015350100000000 ] - [ -0.0017334400000000, 0.0015529200000000, -0.0019865500000000 ] - [ -0.0039335200000000, -0.0025798400000000, -0.0004059200000000 ] - [ -0.0025166700000000, -0.0010451800000000, -0.0002269000000000 ] - [ -0.0013189900000000, -0.0010919700000000, -0.0014195100000000 ] - [ 0.0000002700000000, 0.0005140900000000, -0.0006109000000000 ] - [ -0.0026989500000000, -0.0013822000000000, -0.0004081500000000 ] - [ -0.0017105100000000, -0.0007148000000000, -0.0002314000000000 ] - [ 0.0023999900000000, 0.0005213200000000, 0.0011534500000000 ] - [ 0.0023896100000000, 0.0004001300000000, -0.0000884500000000 ] - [ -0.0004271100000000, -0.0005121100000000, 0.0075774500000000 ] - [ -0.0003484100000000, 0.0006810000000000, 0.0040492800000000 ] - [ 0.0044176600000000, -0.0028025600000000, 0.0006441900000000 ] - [ 0.0005065500000000, 0.0009697100000000, 0.0004335800000000 ] - [ -0.0047903300000000, 0.0021106600000000, -0.0002580700000000 ] - [ -0.0037584500000000, 0.0027232500000000, -0.0006793600000000 ] - [ -0.0015385200000000, -0.0012711400000000, 0.0028938500000000 ] - [ 0.0018295000000000, 0.0020555100000000, 0.0009046300000000 ] - [ -0.0002270200000000, 0.0003807000000000, 0.0027831400000000 ] - [ -0.0016339900000000, -0.0005820000000000, 0.0033556600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011987700000000, -0.0008587500000000, 0.0000042000000000 ] - [ 0.0000552000000000, 0.0008446200000000, -0.0003618000000000 ] - [ 0.0013534200000000, 0.0003605200000000, 0.0007947500000000 ] - [ 0.0017170000000000, -0.0002730700000000, 0.0006345000000000 ] - [ -0.0100612800000000, 0.0057724000000000, -0.0063223900000000 ] - [ 0.0004637800000000, -0.0069839400000000, 0.0041374000000000 ] - [ 0.0001586400000000, -0.0069144600000000, -0.0036615500000000 ] - [ -0.0071561000000000, 0.0103671400000000, 0.0027048600000000 ] - [ -0.0005371000000000, -0.0043033700000000, -0.0011017500000000 ] - [ -0.0023380200000000, 0.0041507500000000, -0.0174637500000000 ] - [ -0.0130858300000000, -0.0168315500000000, 0.0001991700000000 ] - [ -0.0232318900000000, 0.0365770200000000, 0.0185839800000000 ] - [ 0.0022062400000000, 0.0006163700000000, -0.0094471500000000 ] - [ -0.0131029400000000, -0.0160791200000000, -0.0009046000000000 ] - [ -0.0011307500000000, 0.0032468900000000, 0.0126363300000000 ] - [ -0.0002215400000000, -0.0027511400000000, -0.0021208800000000 ] - [ 0.0018258900000000, -0.0023994500000000, 0.0023816900000000 ] - [ 0.0011530000000000, 0.0020134800000000, 0.0010537500000000 ] - [ 0.0088558000000000, -0.0106927300000000, 0.0004130400000000 ] - [ 0.0035103400000000, 0.0082384500000000, -0.0022720500000000 ] - [ 0.0001709000000000, 0.0021726500000000, 0.0008081700000000 ] - [ 0.0024424300000000, -0.0024159500000000, 0.0038226000000000 ] - [ 0.0028404800000000, 0.0012592500000000, 0.0012591100000000 ] - [ 0.0024954800000000, -0.0016870000000000, 0.0009642500000000 ] - [ 0.0024028300000000, -0.0021719900000000, 0.0005915600000000 ] - [ 0.0025921000000000, 0.0017016600000000, 0.0025704600000000 ] - [ -0.0000068800000000, -0.0044551200000000, -0.0022622500000000 ] - [ 0.0005572400000000, 0.0045658400000000, 0.0113732000000000 ] - [ 0.0005338300000000, 0.0056076500000000, -0.0122454500000000 ] - [ -0.0003598800000000, -0.0055989800000000, -0.0011862600000000 ] - [ 0.0023031400000000, 0.0077912700000000, -0.0009861900000000 ] - [ 0.0108296200000000, -0.0124796700000000, 0.0005482000000000 ] - [ -0.0014856800000000, 0.0013816200000000, 0.0020492100000000 ] - [ 0.0000141500000000, -0.0010836700000000, 0.0048399000000000 ] - [ 0.0049568800000000, -0.0028008700000000, -0.0007770600000000 ] - [ -0.0207791100000000, 0.0266120000000000, -0.0083764300000000 ] - [ -0.0093538400000000, -0.0146639900000000, -0.0025108800000000 ] - [ 0.0040707000000000, 0.0071479500000000, 0.0008018300000000 ] - [ -0.0097113600000000, 0.0078403300000000, 0.0259688000000000 ] - [ 0.0012712400000000, 0.0029815200000000, -0.0010481800000000 ] - [ -0.0004422600000000, -0.0004142800000000, -0.0013638700000000 ] - [ -0.0000800800000000, 0.0004215500000000, 0.0008404300000000 ] - [ -0.0031906000000000, 0.0016621100000000, -0.0194866400000000 ] - [ 0.0002629700000000, 0.0009774000000000, 0.0023909200000000 ] - [ 0.0005089700000000, 0.0010991000000000, -0.0012484600000000 ] - [ -0.0037617600000000, 0.0003914300000000, 0.0250721600000000 ] - [ 0.0937257300000000, -0.1358648500000000, -0.0064054900000000 ] - [ -0.0010811500000000, 0.0092152500000000, 0.0005409900000000 ] - [ 0.0044413600000000, -0.0049260100000000, 0.0000175400000000 ] - [ -0.0015203600000000, 0.0021091500000000, 0.0003397200000000 ] - [ -0.0109203900000000, -0.0142143200000000, 0.0022610600000000 ] - [ 0.0030770200000000, 0.0069908100000000, -0.0009037400000000 ] - [ 0.0006295400000000, 0.0010132400000000, -0.0007882900000000 ] - [ 0.0016023100000000, 0.0009239700000000, 0.0009238300000000 ] - [ 0.0084669100000000, 0.0316239200000000, 0.0007528100000000 ] - [ 0.0092111500000000, 0.0342842900000000, -0.0043065100000000 ] - [ -0.0014224800000000, -0.0017781000000000, -0.0007268000000000 ] - [ 0.0000565800000000, 0.0006975600000000, -0.0000539900000000 ] - [ -0.0003071300000000, 0.0007976300000000, -0.0028431600000000 ] - [ -0.0000697600000000, -0.0006225700000000, -0.0007015200000000 ] - [ -0.0016804600000000, 0.0015146600000000, -0.0010810000000000 ] - [ -0.0000899300000000, -0.0000462000000000, -0.0000067400000000 ] - [ -0.0159199000000000, 0.0256387000000000, 0.0064766100000000 ] - [ 0.0044989100000000, -0.0022314300000000, 0.0008639000000000 ] - [ -0.0005849400000000, -0.0005355100000000, -0.0000770400000000 ] - [ -0.0011167300000000, -0.0009615900000000, -0.0002501500000000 ] - [ -0.0000843800000000, -0.0002425400000000, 0.0000453600000000 ] - [ -0.0018989500000000, 0.0020157500000000, -0.0005535500000000 ] - [ -0.0002180300000000, -0.0007759600000000, -0.0007783600000000 ] - [ -0.0021317700000000, 0.0012811700000000, -0.0036619400000000 ] - [ -0.0005496100000000, -0.0007254100000000, -0.0000119100000000 ] - [ -0.0027767700000000, 0.0030794800000000, 0.0002593400000000 ] - [ -0.0022769300000000, -0.0005739500000000, -0.0002746300000000 ] - [ -0.0008656500000000, -0.0007410300000000, 0.0002645700000000 ] - [ -0.0006414900000000, 0.0005127600000000, -0.0010462300000000 ] - [ -0.0005615400000000, -0.0004334700000000, -0.0011806000000000 ] - [ 0.0013353400000000, 0.0028061100000000, 0.0023974600000000 ] - [ -0.0083838200000000, 0.0053417900000000, -0.0255873800000000 ] - [ -0.0004666000000000, 0.0003801000000000, 0.0013694000000000 ] - [ -0.0000506800000000, -0.0001594500000000, -0.0031991700000000 ] - [ -0.0001877500000000, -0.0002438200000000, -0.0011840600000000 ] - [ -0.0002524700000000, 0.0003033900000000, -0.0023437900000000 ] - [ -0.0009965000000000, 0.0005627300000000, -0.0002775300000000 ] - [ -0.0009034400000000, 0.0005657300000000, -0.0001817700000000 ] - [ 0.0014174700000000, 0.0014985400000000, 0.0018048400000000 ] - [ -0.0020426100000000, 0.0015133000000000, -0.0023838300000000 ] - [ -0.0007799500000000, -0.0004827200000000, -0.0001457900000000 ] - [ -0.0026144100000000, -0.0012792500000000, -0.0001011100000000 ] - [ -0.0012772000000000, -0.0034952000000000, 0.0002010500000000 ] - [ 0.0006978100000000, 0.0020628400000000, -0.0007699600000000 ] - [ -0.0012873600000000, -0.0010554400000000, -0.0002908600000000 ] - [ -0.0006190700000000, 0.0002349000000000, -0.0001415000000000 ] - [ 0.0003631500000000, 0.0009910600000000, 0.0021370400000000 ] - [ 0.0005422300000000, 0.0008821900000000, -0.0014613000000000 ] - [ 0.0000448800000000, -0.0005206600000000, 0.0040569100000000 ] - [ -0.0004174300000000, 0.0009676900000000, 0.0022918600000000 ] - [ 0.0027762400000000, -0.0056930900000000, 0.0002232400000000 ] - [ -0.0009512400000000, 0.0031543300000000, 0.0003925600000000 ] - [ -0.0003488400000000, -0.0005460300000000, -0.0001624300000000 ] - [ -0.0037864400000000, 0.0035069000000000, -0.0005582600000000 ] - [ -0.0024965000000000, -0.0042680100000000, 0.0011279400000000 ] - [ 0.0022611200000000, 0.0032740200000000, 0.0006992500000000 ] - [ -0.0012301100000000, 0.0010596300000000, 0.0024559900000000 ] - [ -0.0000511300000000, 0.0016711900000000, 0.0002402900000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008946000000000, 0.0008654600000000, -0.0003019200000000 ] - [ 0.0002557400000000, -0.0008513300000000, 0.0000359200000000 ] - [ -0.0003379800000000, -0.0003519200000000, -0.0006823000000000 ] - [ -0.0006698200000000, 0.0002658600000000, -0.0005173900000000 ] - [ 0.0101783800000000, -0.0060663600000000, 0.0057280500000000 ] - [ -0.0001306800000000, 0.0070064400000000, -0.0043955800000000 ] - [ 0.0008681100000000, 0.0068985700000000, 0.0038386500000000 ] - [ 0.0084566500000000, -0.0101057900000000, -0.0028792200000000 ] - [ 0.0001707500000000, 0.0042989800000000, 0.0007424000000000 ] - [ 0.0019883200000000, -0.0041469000000000, 0.0170718900000000 ] - [ 0.0138737800000000, 0.0168733800000000, 0.0001240900000000 ] - [ 0.0209128800000000, -0.0345034900000000, -0.0175142600000000 ] - [ -0.0004838100000000, -0.0015834600000000, 0.0111385000000000 ] - [ 0.0131483300000000, 0.0160367800000000, 0.0021979100000000 ] - [ 0.0020572500000000, -0.0032659800000000, -0.0126450300000000 ] - [ 0.0011401100000000, 0.0027599700000000, 0.0021196200000000 ] - [ -0.0019320400000000, 0.0023960300000000, -0.0026185100000000 ] - [ -0.0012532400000000, -0.0020048100000000, -0.0012835800000000 ] - [ -0.0089247400000000, 0.0107160700000000, -0.0007810700000000 ] - [ -0.0035241000000000, -0.0082033900000000, 0.0018994400000000 ] - [ -0.0005717900000000, -0.0021871000000000, -0.0011832800000000 ] - [ -0.0028386000000000, 0.0024343000000000, -0.0041737700000000 ] - [ -0.0021987700000000, -0.0012727000000000, -0.0009480400000000 ] - [ -0.0018527000000000, 0.0016949200000000, -0.0006438600000000 ] - [ -0.0022177300000000, 0.0021580600000000, 0.0007051700000000 ] - [ -0.0024232700000000, -0.0016827100000000, -0.0012837300000000 ] - [ 0.0009344400000000, 0.0044386500000000, 0.0022919000000000 ] - [ 0.0003381000000000, -0.0045526700000000, -0.0114545700000000 ] - [ -0.0005970300000000, -0.0056367400000000, 0.0120305200000000 ] - [ 0.0002838900000000, 0.0056231500000000, 0.0009620800000000 ] - [ -0.0023793900000000, -0.0079023900000000, 0.0006232100000000 ] - [ -0.0107864500000000, 0.0124793700000000, -0.0009086600000000 ] - [ 0.0005803900000000, -0.0013815000000000, -0.0016559900000000 ] - [ -0.0009342000000000, 0.0010817100000000, -0.0044329200000000 ] - [ -0.0051023600000000, 0.0026718400000000, 0.0004935000000000 ] - [ 0.0206758000000000, -0.0266460900000000, 0.0080301400000000 ] - [ 0.0095142100000000, 0.0148566800000000, 0.0022180700000000 ] - [ -0.0041720700000000, -0.0069656600000000, -0.0010832800000000 ] - [ 0.0096197500000000, -0.0077561300000000, -0.0265744900000000 ] - [ -0.0013856700000000, -0.0029919800000000, 0.0006265400000000 ] - [ 0.0006336300000000, 0.0004160200000000, 0.0021745300000000 ] - [ 0.0002672900000000, -0.0004222400000000, -0.0000346000000000 ] - [ 0.0026587800000000, -0.0016301300000000, 0.0198171900000000 ] - [ -0.0007976700000000, -0.0009805500000000, -0.0021784000000000 ] - [ -0.0005037600000000, -0.0010961100000000, 0.0004171900000000 ] - [ 0.0037758100000000, -0.0004438600000000, -0.0257486500000000 ] - [ -0.0922695300000000, 0.1347215400000000, 0.0058984700000000 ] - [ 0.0013501000000000, -0.0092973600000000, -0.0007573500000000 ] - [ -0.0045406300000000, 0.0051420800000000, -0.0002866700000000 ] - [ 0.0014339100000000, -0.0019027200000000, -0.0006009900000000 ] - [ 0.0104187100000000, 0.0139380300000000, -0.0021420600000000 ] - [ -0.0034720600000000, -0.0073656000000000, 0.0010415700000000 ] - [ -0.0007196300000000, -0.0012216600000000, 0.0005266500000000 ] - [ -0.0016962200000000, -0.0011376400000000, -0.0011861600000000 ] - [ -0.0082984400000000, -0.0320267400000000, -0.0009728700000000 ] - [ -0.0088018100000000, -0.0336931500000000, 0.0040615400000000 ] - [ 0.0009968100000000, 0.0013407900000000, 0.0006945100000000 ] - [ -0.0004873700000000, -0.0011440600000000, 0.0000219200000000 ] - [ 0.0007290100000000, -0.0008000300000000, 0.0027280300000000 ] - [ 0.0004849800000000, 0.0006206200000000, 0.0005823900000000 ] - [ 0.0012543700000000, -0.0010731400000000, 0.0010507900000000 ] - [ -0.0003348000000000, 0.0004841900000000, -0.0000276600000000 ] - [ 0.0155396200000000, -0.0254331800000000, -0.0064100800000000 ] - [ -0.0048638800000000, 0.0025689700000000, -0.0007323600000000 ] - [ 0.0005138900000000, 0.0002877700000000, 0.0004482900000000 ] - [ 0.0010276600000000, 0.0006946100000000, 0.0006183400000000 ] - [ 0.0000001300000000, 0.0005031700000000, 0.0003268400000000 ] - [ 0.0018165100000000, -0.0017592700000000, 0.0009239400000000 ] - [ -0.0006819600000000, 0.0007830100000000, 0.0011980400000000 ] - [ 0.0012200000000000, -0.0012854500000000, 0.0040534800000000 ] - [ 0.0004734600000000, 0.0005176000000000, -0.0002622600000000 ] - [ 0.0027077800000000, -0.0032920300000000, -0.0005381200000000 ] - [ 0.0022145300000000, 0.0007905300000000, 0.0000001500000000 ] - [ 0.0007903500000000, 0.0009468400000000, -0.0005384700000000 ] - [ 0.0005274100000000, -0.0005117700000000, 0.0006563800000000 ] - [ 0.0004471600000000, 0.0004305600000000, 0.0007785900000000 ] - [ -0.0011577400000000, -0.0027943500000000, -0.0016212300000000 ] - [ 0.0085781000000000, -0.0054838800000000, 0.0263282900000000 ] - [ -0.0000687600000000, -0.0003786700000000, -0.0011811900000000 ] - [ -0.0004870500000000, 0.0001556100000000, 0.0034169200000000 ] - [ 0.0001971300000000, 0.0002450500000000, 0.0003416400000000 ] - [ 0.0002604400000000, -0.0003047700000000, 0.0014878300000000 ] - [ 0.0012682500000000, -0.0006426400000000, 0.0000747800000000 ] - [ 0.0011715100000000, -0.0006469100000000, -0.0000204400000000 ] - [ -0.0015078900000000, -0.0012756800000000, -0.0020563000000000 ] - [ 0.0019768200000000, -0.0013316400000000, 0.0021316900000000 ] - [ 0.0003814800000000, 0.0001139900000000, 0.0002908500000000 ] - [ 0.0021925700000000, 0.0008889100000000, 0.0002430500000000 ] - [ 0.0012041300000000, 0.0032975100000000, -0.0004499100000000 ] - [ -0.0007863100000000, -0.0022682000000000, 0.0005052300000000 ] - [ 0.0015597600000000, 0.0011362900000000, 0.0000891600000000 ] - [ 0.0008854400000000, -0.0001574100000000, -0.0000597800000000 ] - [ -0.0007950300000000, -0.0014219600000000, -0.0021671500000000 ] - [ -0.0009984300000000, -0.0013626700000000, 0.0014435000000000 ] - [ 0.0003768600000000, 0.0005248600000000, -0.0042101000000000 ] - [ 0.0008305500000000, -0.0009693400000000, -0.0024103000000000 ] - [ -0.0032288000000000, 0.0061612100000000, -0.0002331300000000 ] - [ 0.0005121000000000, -0.0027058700000000, -0.0004296800000000 ] - [ -0.0000377300000000, 0.0009131900000000, 0.0003039300000000 ] - [ 0.0033682500000000, -0.0031185500000000, 0.0007013900000000 ] - [ 0.0023908500000000, 0.0039980800000000, -0.0007525200000000 ] - [ -0.0023548200000000, -0.0035426100000000, -0.0003354200000000 ] - [ 0.0011254100000000, -0.0007818800000000, -0.0020915800000000 ] - [ -0.0000570900000000, -0.0014143900000000, 0.0001421600000000 ]- atom: 47 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0009637400000000, -0.0001048800000000, -0.0002689200000000 ] - [ 0.0004127100000000, 0.0000206300000000, -0.0009454400000000 ] - [ 0.0012671700000000, 0.0000980500000000, 0.0007468000000000 ] - [ 0.0013890100000000, -0.0000034300000000, 0.0006655300000000 ] - [ -0.0107397400000000, -0.0006038700000000, 0.0036800500000000 ] - [ -0.0013279500000000, -0.0010636900000000, 0.0033565000000000 ] - [ -0.0006356200000000, -0.0047239900000000, -0.0000889300000000 ] - [ 0.0006898900000000, 0.0103226600000000, -0.0040538800000000 ] - [ 0.0020170800000000, -0.0021612500000000, -0.0026751800000000 ] - [ 0.0032436700000000, 0.0005560200000000, -0.0203230300000000 ] - [ -0.0055095100000000, -0.0021702000000000, 0.0000613000000000 ] - [ -0.0201814400000000, 0.0120458200000000, 0.0245448000000000 ] - [ -0.0099561300000000, -0.0055972900000000, 0.0068274400000000 ] - [ -0.0062421700000000, -0.0032337700000000, 0.0017389600000000 ] - [ -0.0007238100000000, 0.0019057300000000, 0.0014697000000000 ] - [ -0.0000169400000000, -0.0015538200000000, -0.0003160800000000 ] - [ 0.0004373400000000, -0.0003962400000000, 0.0016432800000000 ] - [ 0.0001366500000000, 0.0003416200000000, 0.0017549400000000 ] - [ 0.0044372700000000, -0.0044091800000000, 0.0007401300000000 ] - [ 0.0073357400000000, 0.0064903900000000, -0.0006462600000000 ] - [ -0.0012591600000000, 0.0002411500000000, 0.0022178700000000 ] - [ -0.0006170200000000, 0.0002123100000000, 0.0029036600000000 ] - [ 0.0029398800000000, -0.0002677100000000, 0.0002788800000000 ] - [ 0.0024822400000000, -0.0000115500000000, 0.0002853900000000 ] - [ 0.0027653300000000, -0.0004569000000000, 0.0000875600000000 ] - [ 0.0033537900000000, -0.0003001300000000, -0.0001913200000000 ] - [ -0.0007310200000000, -0.0023239900000000, -0.0011964100000000 ] - [ -0.0022430000000000, 0.0024520000000000, -0.0023172400000000 ] - [ 0.0023302000000000, 0.0009847800000000, -0.0157870600000000 ] - [ 0.0008325000000000, -0.0005270500000000, -0.0031771200000000 ] - [ 0.0109951200000000, 0.0115713000000000, -0.0017525000000000 ] - [ 0.0091645900000000, -0.0086225600000000, 0.0000436500000000 ] - [ -0.0014231900000000, 0.0008194500000000, 0.0013791300000000 ] - [ -0.0018347200000000, -0.0004949300000000, 0.0046039200000000 ] - [ 0.0032555600000000, -0.0037188700000000, -0.0008962700000000 ] - [ -0.0205819500000000, 0.0213789100000000, -0.0051092400000000 ] - [ -0.0269278700000000, -0.0115651600000000, -0.0052177300000000 ] - [ 0.0020791300000000, 0.0032027700000000, -0.0001490800000000 ] - [ -0.0122809700000000, 0.0208722300000000, 0.0250626600000000 ] - [ 0.0007409800000000, -0.0002421100000000, -0.0007823500000000 ] - [ -0.0001943400000000, -0.0001323700000000, 0.0002727100000000 ] - [ -0.0001133300000000, 0.0001509600000000, 0.0006610800000000 ] - [ 0.0037575200000000, -0.0020038400000000, -0.0050572700000000 ] - [ 0.0001505600000000, 0.0003449100000000, -0.0000338600000000 ] - [ 0.0000704400000000, 0.0001748100000000, 0.0010218500000000 ] - [ -0.0061563500000000, 0.0068522900000000, 0.0249265800000000 ] - [ 0.0900211400000000, -0.0589965000000000, -0.0465907500000000 ] - [ 0.0011596000000000, 0.0012014700000000, -0.0004152400000000 ] - [ 0.0019927600000000, -0.0016639800000000, 0.0016934100000000 ] - [ -0.0010467000000000, 0.0010943100000000, 0.0001838500000000 ] - [ -0.0181959800000000, -0.0042941800000000, -0.0023915900000000 ] - [ 0.0008162400000000, 0.0018091100000000, -0.0005150500000000 ] - [ -0.0004468600000000, -0.0004649400000000, -0.0000759200000000 ] - [ 0.0008599100000000, 0.0008368700000000, 0.0007810500000000 ] - [ 0.0057566100000000, 0.0042218200000000, -0.0032350500000000 ] - [ 0.0092279500000000, 0.0086072500000000, -0.0060264500000000 ] - [ -0.0002193700000000, -0.0003529700000000, -0.0003089100000000 ] - [ -0.0002415600000000, -0.0000123100000000, -0.0001217300000000 ] - [ -0.0000419900000000, 0.0003252600000000, -0.0019999800000000 ] - [ -0.0000876500000000, -0.0003658600000000, -0.0018974900000000 ] - [ -0.0003380300000000, 0.0001807300000000, -0.0002027500000000 ] - [ -0.0001736000000000, 0.0001591500000000, -0.0001592700000000 ] - [ -0.0080214300000000, 0.0105045700000000, 0.0042757700000000 ] - [ 0.0012859800000000, -0.0029696200000000, -0.0009957900000000 ] - [ -0.0002348400000000, -0.0003628200000000, -0.0002538100000000 ] - [ -0.0004051000000000, -0.0005420000000000, -0.0002261000000000 ] - [ -0.0000987300000000, 0.0002311200000000, -0.0001721600000000 ] - [ -0.0005852600000000, 0.0006743300000000, -0.0003424800000000 ] - [ -0.0006035700000000, -0.0007414800000000, -0.0027888900000000 ] - [ -0.0012971100000000, 0.0007353600000000, -0.0035235200000000 ] - [ -0.0021885400000000, 0.0005668800000000, 0.0000560200000000 ] - [ -0.0015117300000000, 0.0011627200000000, 0.0000957100000000 ] - [ -0.0012397800000000, -0.0002737500000000, -0.0001667900000000 ] - [ -0.0019033600000000, -0.0012947300000000, 0.0001802600000000 ] - [ -0.0004718900000000, 0.0000976200000000, -0.0007749000000000 ] - [ -0.0003985400000000, -0.0000685300000000, -0.0007690900000000 ] - [ 0.0009174600000000, 0.0011193900000000, 0.0001674100000000 ] - [ 0.0098564400000000, -0.0074589500000000, -0.0008843500000000 ] - [ -0.0004332600000000, 0.0001685100000000, 0.0016461400000000 ] - [ -0.0002421100000000, -0.0002955500000000, 0.0019622000000000 ] - [ -0.0000583800000000, -0.0000181300000000, -0.0009542200000000 ] - [ -0.0000479700000000, -0.0000030700000000, -0.0012509100000000 ] - [ -0.0009669700000000, 0.0004907900000000, -0.0000755700000000 ] - [ -0.0009049000000000, 0.0004719700000000, -0.0000309000000000 ] - [ 0.0011213500000000, 0.0007195400000000, 0.0007729800000000 ] - [ 0.0012537700000000, -0.0014166000000000, -0.0002195000000000 ] - [ -0.0022725900000000, -0.0015370800000000, -0.0002012900000000 ] - [ -0.0021844600000000, -0.0011366100000000, 0.0000088700000000 ] - [ 0.0010020400000000, -0.0001110500000000, 0.0000145400000000 ] - [ 0.0005035900000000, 0.0007633300000000, -0.0005374900000000 ] - [ -0.0012512900000000, -0.0006270700000000, -0.0000401200000000 ] - [ -0.0008246100000000, -0.0003618800000000, -0.0000439400000000 ] - [ 0.0013002300000000, 0.0014024200000000, 0.0016001500000000 ] - [ 0.0003074800000000, -0.0015756400000000, 0.0008259900000000 ] - [ -0.0006561700000000, -0.0001644700000000, 0.0070224100000000 ] - [ -0.0003448000000000, 0.0004674100000000, 0.0035647300000000 ] - [ 0.0018634700000000, -0.0013572900000000, 0.0027953100000000 ] - [ -0.0002005000000000, 0.0010442900000000, 0.0003498000000000 ] - [ -0.0031797400000000, 0.0014491600000000, 0.0000553500000000 ] - [ -0.0033030200000000, 0.0025485100000000, -0.0004779700000000 ] - [ -0.0039035500000000, -0.0024066400000000, 0.0029486500000000 ] - [ 0.0004779700000000, 0.0009018600000000, 0.0005706800000000 ] - [ -0.0026901900000000, 0.0023895400000000, 0.0028211800000000 ] - [ -0.0040598000000000, 0.0001783600000000, 0.0042883000000000 ]- atom: 47 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0006453500000000, 0.0001050700000000, -0.0000250500000000 ] - [ -0.0000999300000000, -0.0000202500000000, 0.0006242300000000 ] - [ -0.0002375700000000, -0.0000848600000000, -0.0006184700000000 ] - [ -0.0003391400000000, -0.0000049300000000, -0.0005442700000000 ] - [ 0.0109705800000000, 0.0005287000000000, -0.0041261800000000 ] - [ 0.0016409100000000, 0.0010613300000000, -0.0036557100000000 ] - [ 0.0016728300000000, 0.0047113000000000, 0.0001867500000000 ] - [ 0.0006464800000000, -0.0100845500000000, 0.0038084700000000 ] - [ -0.0024243300000000, 0.0021533800000000, 0.0023285800000000 ] - [ -0.0036692100000000, -0.0005310700000000, 0.0198319900000000 ] - [ 0.0060868800000000, 0.0021084400000000, 0.0002802500000000 ] - [ 0.0199128100000000, -0.0107135300000000, -0.0242816700000000 ] - [ 0.0105373500000000, 0.0051350800000000, -0.0051944500000000 ] - [ 0.0064375000000000, 0.0032021300000000, -0.0004522100000000 ] - [ 0.0016194400000000, -0.0018856500000000, -0.0013262300000000 ] - [ 0.0009204500000000, 0.0015345900000000, 0.0003294700000000 ] - [ -0.0005158800000000, 0.0003800200000000, -0.0018637600000000 ] - [ -0.0002226800000000, -0.0003302600000000, -0.0019899300000000 ] - [ -0.0044012100000000, 0.0043656500000000, -0.0011147900000000 ] - [ -0.0073379400000000, -0.0064651100000000, 0.0002444100000000 ] - [ 0.0008795600000000, -0.0002411000000000, -0.0025628200000000 ] - [ 0.0002391800000000, -0.0002105500000000, -0.0032544400000000 ] - [ -0.0022747600000000, 0.0002788400000000, 0.0000596000000000 ] - [ -0.0018197700000000, -0.0000001400000000, 0.0000494600000000 ] - [ -0.0025548600000000, 0.0004529300000000, 0.0012235900000000 ] - [ -0.0031499400000000, 0.0003000300000000, 0.0014928700000000 ] - [ 0.0016671400000000, 0.0023169300000000, 0.0011932600000000 ] - [ 0.0031808000000000, -0.0024503500000000, 0.0022728600000000 ] - [ -0.0024175900000000, -0.0009483800000000, 0.0155858300000000 ] - [ -0.0008998500000000, 0.0004816100000000, 0.0029426400000000 ] - [ -0.0109732000000000, -0.0115102800000000, 0.0013993800000000 ] - [ -0.0091386600000000, 0.0085840300000000, -0.0003779100000000 ] - [ 0.0005172800000000, -0.0008165100000000, -0.0009668300000000 ] - [ 0.0009415700000000, 0.0004910100000000, -0.0041621700000000 ] - [ -0.0032962200000000, 0.0034896000000000, 0.0006221900000000 ] - [ 0.0203309100000000, -0.0214463500000000, 0.0048340600000000 ] - [ 0.0266591800000000, 0.0116543800000000, 0.0048631500000000 ] - [ -0.0021398500000000, -0.0029708500000000, -0.0001135400000000 ] - [ 0.0123294100000000, -0.0212085100000000, -0.0257098800000000 ] - [ -0.0008565200000000, 0.0002640700000000, 0.0004051100000000 ] - [ 0.0003699700000000, 0.0001307700000000, 0.0005198900000000 ] - [ 0.0002912600000000, -0.0001481400000000, 0.0001535500000000 ] - [ -0.0043286900000000, 0.0020486900000000, 0.0051086000000000 ] - [ -0.0006869900000000, -0.0003440900000000, 0.0002167300000000 ] - [ -0.0000586800000000, -0.0001696000000000, -0.0018949500000000 ] - [ 0.0060849800000000, -0.0067302900000000, -0.0254830600000000 ] - [ -0.0892701800000000, 0.0579072300000000, 0.0466735100000000 ] - [ -0.0008982500000000, -0.0012625100000000, 0.0002240800000000 ] - [ -0.0020406500000000, 0.0018247600000000, -0.0019812400000000 ] - [ 0.0009511600000000, -0.0008813500000000, -0.0004542000000000 ] - [ 0.0178471400000000, 0.0038747300000000, 0.0026308400000000 ] - [ -0.0012179500000000, -0.0021700600000000, 0.0006661800000000 ] - [ 0.0003638600000000, 0.0002695500000000, -0.0001985300000000 ] - [ -0.0009340400000000, -0.0010336400000000, -0.0010489700000000 ] - [ -0.0054590400000000, -0.0039908400000000, 0.0030606300000000 ] - [ -0.0089099200000000, -0.0085815100000000, 0.0058294800000000 ] - [ -0.0002169900000000, -0.0000993000000000, 0.0002612500000000 ] - [ -0.0001812300000000, -0.0004249100000000, 0.0000797000000000 ] - [ 0.0004597100000000, -0.0003225100000000, 0.0018701400000000 ] - [ 0.0005029200000000, 0.0003647500000000, 0.0017871800000000 ] - [ -0.0001031500000000, 0.0002752100000000, 0.0001536600000000 ] - [ -0.0002501300000000, 0.0002808700000000, 0.0001190400000000 ] - [ 0.0075391400000000, -0.0100063300000000, -0.0041810600000000 ] - [ -0.0016946500000000, 0.0033691800000000, 0.0011673200000000 ] - [ 0.0001433500000000, 0.0000963200000000, 0.0006152200000000 ] - [ 0.0003111500000000, 0.0002745700000000, 0.0005897200000000 ] - [ 0.0000064700000000, 0.0000335000000000, 0.0005364900000000 ] - [ 0.0004880100000000, -0.0004021500000000, 0.0007067900000000 ] - [ -0.0003043600000000, 0.0007362600000000, 0.0031770100000000 ] - [ 0.0003866600000000, -0.0007361000000000, 0.0039140700000000 ] - [ 0.0021162200000000, -0.0007837500000000, -0.0003240800000000 ] - [ 0.0014153800000000, -0.0013512800000000, -0.0003676300000000 ] - [ 0.0011450500000000, 0.0004766200000000, -0.0001032000000000 ] - [ 0.0018323700000000, 0.0015080800000000, -0.0004472000000000 ] - [ 0.0003572600000000, -0.0000954300000000, 0.0003640600000000 ] - [ 0.0002858200000000, 0.0000652300000000, 0.0003551600000000 ] - [ -0.0007320400000000, -0.0011095800000000, 0.0006539200000000 ] - [ -0.0096770500000000, 0.0073889700000000, 0.0018282000000000 ] - [ -0.0001039800000000, -0.0001678800000000, -0.0014530900000000 ] - [ -0.0002995200000000, 0.0002932100000000, -0.0017486000000000 ] - [ 0.0000633800000000, 0.0000171100000000, 0.0000875400000000 ] - [ 0.0000521800000000, 0.0000032100000000, 0.0003800900000000 ] - [ 0.0012248900000000, -0.0005692800000000, -0.0001231100000000 ] - [ 0.0011575100000000, -0.0005435000000000, -0.0001670200000000 ] - [ -0.0012121500000000, -0.0005009500000000, -0.0010316400000000 ] - [ -0.0013404800000000, 0.0016142100000000, -0.0000428800000000 ] - [ 0.0018512900000000, 0.0011485800000000, 0.0003482000000000 ] - [ 0.0017676000000000, 0.0007506500000000, 0.0001401800000000 ] - [ -0.0010914300000000, -0.0000977900000000, -0.0002756800000000 ] - [ -0.0005974100000000, -0.0009666800000000, 0.0002691500000000 ] - [ 0.0015061200000000, 0.0006993100000000, -0.0001579500000000 ] - [ 0.0010818400000000, 0.0004393700000000, -0.0001533100000000 ] - [ -0.0017497200000000, -0.0018555500000000, -0.0016300700000000 ] - [ -0.0007768000000000, 0.0011210800000000, -0.0008705300000000 ] - [ 0.0010781800000000, 0.0001540600000000, -0.0071568600000000 ] - [ 0.0007601800000000, -0.0004644500000000, -0.0036966100000000 ] - [ -0.0023346500000000, 0.0018114900000000, -0.0028411600000000 ] - [ -0.0002461700000000, -0.0005779400000000, -0.0003841500000000 ] - [ 0.0027584000000000, -0.0010609000000000, 0.0000921900000000 ] - [ 0.0028756600000000, -0.0021552600000000, 0.0006223700000000 ] - [ 0.0038178600000000, 0.0021237100000000, -0.0025975300000000 ] - [ -0.0005522000000000, -0.0011460400000000, -0.0002065200000000 ] - [ 0.0026265900000000, -0.0021488400000000, -0.0024689100000000 ] - [ 0.0039731000000000, 0.0001213100000000, -0.0039502300000000 ]- atom: 49 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0010953500000000, 0.0052044100000000, -0.0028348800000000 ] - [ 0.0100998900000000, -0.0075464700000000, -0.0030772000000000 ] - [ -0.0056121600000000, 0.0006978900000000, -0.0046315300000000 ] - [ -0.0001941300000000, -0.0001430100000000, -0.0010172300000000 ] - [ -0.0009717000000000, -0.0012513300000000, -0.0000474900000000 ] - [ -0.0014680700000000, 0.0011219800000000, -0.0004541500000000 ] - [ 0.0015848500000000, 0.0010242100000000, 0.0018726200000000 ] - [ -0.0039947400000000, -0.0009199400000000, 0.0055867600000000 ] - [ 0.0147413300000000, 0.0086001800000000, 0.0018903900000000 ] - [ 0.0143967000000000, 0.0010308900000000, 0.0147313300000000 ] - [ 0.0009344100000000, 0.0017873200000000, 0.0017504900000000 ] - [ 0.0009600800000000, -0.0017653800000000, -0.0159763400000000 ] - [ 0.0011428800000000, -0.0039539500000000, 0.0212059700000000 ] - [ 0.0012722100000000, 0.0050463000000000, 0.0039063900000000 ] - [ 0.0496257900000000, -0.0432006800000000, -0.0128485300000000 ] - [ 0.0108748800000000, 0.0083706900000000, 0.0026108500000000 ] - [ -0.0082024700000000, 0.0098890400000000, 0.0004766500000000 ] - [ -0.0132881300000000, -0.0150940900000000, 0.0044006400000000 ] - [ 0.0022134500000000, 0.0034547100000000, 0.0026436800000000 ] - [ 0.0043658400000000, -0.0033570400000000, 0.0230599400000000 ] - [ -0.0083903000000000, 0.0004484900000000, -0.0027216500000000 ] - [ -0.0062005700000000, 0.0004960100000000, -0.0021568200000000 ] - [ 0.0041142300000000, -0.0023163800000000, -0.0094523600000000 ] - [ 0.0024691900000000, 0.0013233100000000, 0.0002201000000000 ] - [ -0.0033268100000000, 0.0021861200000000, -0.0032439700000000 ] - [ -0.0034463400000000, -0.0014867900000000, -0.0041791400000000 ] - [ -0.0040310300000000, 0.0010846000000000, -0.0015999400000000 ] - [ -0.0058916200000000, -0.0006165500000000, -0.0034270700000000 ] - [ -0.0112543700000000, -0.0157483100000000, -0.0008295200000000 ] - [ -0.0104145500000000, 0.0141509800000000, -0.0014224400000000 ] - [ -0.0048335700000000, -0.0019704000000000, -0.0056104200000000 ] - [ -0.0050742500000000, 0.0024731300000000, -0.0055361400000000 ] - [ -0.0020981200000000, -0.0011318300000000, -0.0008813600000000 ] - [ 0.0051342500000000, -0.0094125600000000, -0.0324824700000000 ] - [ 0.0003423200000000, -0.0000261900000000, 0.0001048600000000 ] - [ 0.0032051000000000, -0.0033422700000000, 0.0012355100000000 ] - [ 0.0027740600000000, 0.0030517900000000, 0.0010447500000000 ] - [ -0.0000149800000000, -0.0006285300000000, -0.0000454900000000 ] - [ -0.0000904600000000, 0.0016153300000000, -0.0048039800000000 ] - [ 0.0008685500000000, -0.0019836100000000, -0.0024520700000000 ] - [ 0.0065849300000000, -0.0073055500000000, 0.0191547700000000 ] - [ -0.0012104800000000, -0.0002725800000000, -0.0007569700000000 ] - [ 0.0019360500000000, -0.0031324200000000, -0.0295614000000000 ] - [ -0.0007249700000000, -0.0006735100000000, -0.0018425300000000 ] - [ -0.0008145600000000, -0.0005102500000000, -0.0024173200000000 ] - [ 0.0025563800000000, -0.0049401200000000, 0.0247001500000000 ] - [ -0.0036814800000000, 0.0044383600000000, -0.0003199600000000 ] - [ 0.0009140900000000, -0.0015098700000000, -0.0007702500000000 ] - [ -0.1512280200000000, 0.1158872500000000, 0.0070573300000000 ] - [ -0.0000933700000000, -0.0042028100000000, -0.0008506500000000 ] - [ 0.0020649700000000, 0.0037091100000000, -0.0031077200000000 ] - [ -0.0030406800000000, -0.0032223600000000, -0.0001389000000000 ] - [ -0.0176158300000000, -0.0160488500000000, 0.0016598500000000 ] - [ -0.0166138400000000, -0.0141788100000000, -0.0021633400000000 ] - [ -0.0011418900000000, -0.0006381300000000, -0.0014864500000000 ] - [ -0.0009704100000000, -0.0016038000000000, 0.0002144600000000 ] - [ 0.0348142300000000, 0.0104794200000000, 0.0021222400000000 ] - [ -0.0024017000000000, -0.0035958700000000, -0.0003502600000000 ] - [ 0.0006041800000000, -0.0007539700000000, -0.0030815700000000 ] - [ 0.0009731200000000, 0.0007124900000000, -0.0086106400000000 ] - [ 0.0204313000000000, -0.0158864800000000, 0.0050678200000000 ] - [ -0.0034589400000000, 0.0051144900000000, -0.0004919900000000 ] - [ 0.0001682500000000, -0.0011131700000000, -0.0018964600000000 ] - [ 0.0012211800000000, -0.0017217100000000, -0.0033672900000000 ] - [ 0.0032045100000000, 0.0005434300000000, 0.0001458100000000 ] - [ 0.0031848000000000, 0.0029447200000000, 0.0009413200000000 ] - [ 0.0060735500000000, -0.0015115800000000, 0.0001704400000000 ] - [ 0.0033926200000000, -0.0030474800000000, 0.0012770300000000 ] - [ 0.0011906600000000, 0.0001635200000000, 0.0032964300000000 ] - [ 0.0009227500000000, -0.0003054000000000, 0.0030903200000000 ] - [ -0.0066436400000000, 0.0050410100000000, -0.0005554300000000 ] - [ -0.0001624700000000, -0.0009740200000000, -0.0000882700000000 ] - [ -0.0016934300000000, -0.0010110600000000, 0.0005514500000000 ] - [ -0.0034858100000000, -0.0015286600000000, -0.0009812000000000 ] - [ 0.0013449600000000, -0.0018903100000000, 0.0027092500000000 ] - [ 0.0017936100000000, 0.0016276800000000, 0.0025898300000000 ] - [ 0.0006082700000000, -0.0004539900000000, -0.0001071700000000 ] - [ 0.0011113100000000, 0.0003055700000000, 0.0024903400000000 ] - [ 0.0000674300000000, -0.0002550500000000, 0.0027033100000000 ] - [ 0.0000401600000000, 0.0001618700000000, 0.0035886100000000 ] - [ 0.0002434000000000, 0.0001856000000000, 0.0019392900000000 ] - [ 0.0002186300000000, -0.0001574500000000, -0.0002036600000000 ] - [ 0.0018290900000000, -0.0020324800000000, 0.0026726500000000 ] - [ 0.0006500800000000, 0.0014166700000000, 0.0016807500000000 ] - [ 0.0025871600000000, -0.0013618800000000, 0.0001795200000000 ] - [ 0.0025816300000000, -0.0012807700000000, 0.0003557400000000 ] - [ 0.0020028900000000, 0.0005281900000000, 0.0012492400000000 ] - [ 0.0020075700000000, 0.0012865800000000, 0.0008410400000000 ] - [ 0.0036575000000000, 0.0021701400000000, 0.0002998200000000 ] - [ 0.0017548200000000, 0.0006419200000000, 0.0002520200000000 ] - [ 0.0014112500000000, 0.0012736700000000, 0.0020745500000000 ] - [ 0.0000871500000000, -0.0007095500000000, 0.0005425900000000 ] - [ 0.0021847400000000, 0.0021957500000000, -0.0008015300000000 ] - [ 0.0036276600000000, 0.0004245200000000, 0.0000695400000000 ] - [ 0.0008622100000000, 0.0008415300000000, 0.0041164100000000 ] - [ 0.0009046600000000, -0.0008509100000000, 0.0049933600000000 ] - [ 0.0044844800000000, -0.0000104200000000, -0.0004470600000000 ] - [ 0.0033833400000000, -0.0032628800000000, -0.0012469200000000 ] - [ 0.0018723700000000, -0.0003228700000000, 0.0012543400000000 ] - [ 0.0022281600000000, -0.0017533800000000, 0.0008630400000000 ] - [ 0.0268803800000000, 0.0106046200000000, -0.0006543700000000 ] - [ -0.0043347600000000, -0.0052113400000000, 0.0000734800000000 ] - [ -0.0043552600000000, 0.0048673700000000, -0.0005181400000000 ] - [ 0.0295920800000000, -0.0254858300000000, -0.0051793900000000 ]- atom: 49 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0007801400000000, -0.0052437700000000, 0.0025711600000000 ] - [ -0.0095605000000000, 0.0078072600000000, 0.0031030400000000 ] - [ 0.0066986400000000, -0.0006747900000000, 0.0047652300000000 ] - [ 0.0012664400000000, 0.0001370000000000, 0.0011453600000000 ] - [ 0.0012673400000000, 0.0012686800000000, -0.0002602000000000 ] - [ 0.0017827300000000, -0.0011357600000000, 0.0001489600000000 ] - [ -0.0005576200000000, -0.0010353400000000, -0.0017533900000000 ] - [ 0.0050656200000000, 0.0009142200000000, -0.0055240300000000 ] - [ -0.0152900500000000, -0.0086927800000000, -0.0022609000000000 ] - [ -0.0164670400000000, 0.0010504100000000, -0.0155330300000000 ] - [ -0.0002823800000000, -0.0017997600000000, -0.0014615300000000 ] - [ -0.0003185900000000, 0.0017867800000000, 0.0163901200000000 ] - [ -0.0009774900000000, 0.0039719900000000, -0.0200611300000000 ] - [ -0.0011040200000000, -0.0050733100000000, -0.0026600300000000 ] - [ -0.0465481300000000, 0.0395048500000000, 0.0122163700000000 ] - [ -0.0099343000000000, -0.0084017000000000, -0.0026080300000000 ] - [ 0.0081687600000000, -0.0099332300000000, -0.0006956000000000 ] - [ 0.0131989000000000, 0.0150788200000000, -0.0046316800000000 ] - [ -0.0022373700000000, -0.0034811400000000, -0.0030203400000000 ] - [ -0.0044109300000000, 0.0033896700000000, -0.0235234100000000 ] - [ 0.0080540800000000, -0.0004253300000000, 0.0023979500000000 ] - [ 0.0058627100000000, -0.0005155100000000, 0.0018220500000000 ] - [ -0.0034513900000000, 0.0023206900000000, 0.0098569100000000 ] - [ -0.0018124900000000, -0.0013233300000000, 0.0001237000000000 ] - [ 0.0035483600000000, -0.0021994800000000, 0.0045725300000000 ] - [ 0.0036627700000000, 0.0014918500000000, 0.0055105800000000 ] - [ 0.0049958800000000, -0.0010783800000000, 0.0016318100000000 ] - [ 0.0068759500000000, 0.0006052400000000, 0.0034696100000000 ] - [ 0.0112789500000000, 0.0159693600000000, 0.0006215400000000 ] - [ 0.0104029700000000, -0.0142909200000000, 0.0012087900000000 ] - [ 0.0048557000000000, 0.0019817900000000, 0.0052784100000000 ] - [ 0.0051033200000000, -0.0024905200000000, 0.0052028500000000 ] - [ 0.0012042900000000, 0.0011412400000000, 0.0012869400000000 ] - [ -0.0059751800000000, 0.0094590700000000, 0.0331926000000000 ] - [ -0.0004160800000000, -0.0001846200000000, -0.0003788800000000 ] - [ -0.0033080900000000, 0.0031593300000000, -0.0015134300000000 ] - [ -0.0028679700000000, -0.0028632500000000, -0.0013223900000000 ] - [ -0.0000588800000000, 0.0008439100000000, -0.0002250800000000 ] - [ -0.0000214000000000, -0.0016313400000000, 0.0044427300000000 ] - [ -0.0009848000000000, 0.0020006500000000, 0.0020791300000000 ] - [ -0.0065061700000000, 0.0073142900000000, -0.0183396900000000 ] - [ 0.0013920700000000, 0.0002664300000000, 0.0015598700000000 ] - [ -0.0025543100000000, 0.0031805000000000, 0.0298019700000000 ] - [ 0.0001871400000000, 0.0006740900000000, 0.0020638200000000 ] - [ 0.0008312500000000, 0.0005179600000000, 0.0015833800000000 ] - [ -0.0025045100000000, 0.0049621900000000, -0.0258389700000000 ] - [ 0.0039730800000000, -0.0045500500000000, 0.0001429300000000 ] - [ -0.0006556500000000, 0.0014439000000000, 0.0005739600000000 ] - [ 0.1508797900000000, -0.1146996600000000, -0.0067735100000000 ] - [ 0.0000046200000000, 0.0044487900000000, 0.0005935900000000 ] - [ -0.0024828200000000, -0.0041073800000000, 0.0032688100000000 ] - [ 0.0026459000000000, 0.0028622400000000, 0.0002834200000000 ] - [ 0.0174812100000000, 0.0160465400000000, -0.0019097700000000 ] - [ 0.0166527700000000, 0.0139183100000000, 0.0019192800000000 ] - [ 0.0014079200000000, 0.0007187200000000, 0.0012973500000000 ] - [ 0.0012462100000000, 0.0016946600000000, -0.0004115100000000 ] - [ -0.0348786800000000, -0.0108767700000000, -0.0021703500000000 ] - [ 0.0019707900000000, 0.0031700300000000, 0.0003198200000000 ] - [ -0.0001875600000000, 0.0007575100000000, 0.0029627800000000 ] - [ -0.0005625800000000, -0.0007133100000000, 0.0085131500000000 ] - [ -0.0208634700000000, 0.0164184800000000, -0.0050610400000000 ] - [ 0.0030080000000000, -0.0046663600000000, 0.0004615100000000 ] - [ -0.0005723200000000, 0.0014954300000000, 0.0020530500000000 ] - [ -0.0016415600000000, 0.0021116700000000, 0.0035301200000000 ] - [ -0.0033232900000000, -0.0008239900000000, 0.0002212100000000 ] - [ -0.0032813300000000, -0.0032111600000000, -0.0005698700000000 ] - [ -0.0061578300000000, 0.0017693500000000, 0.0002033300000000 ] - [ -0.0035151700000000, 0.0033397000000000, -0.0009104800000000 ] - [ -0.0021129400000000, -0.0001670400000000, -0.0029066500000000 ] - [ -0.0018421200000000, 0.0003095900000000, -0.0027018600000000 ] - [ 0.0066127800000000, -0.0052789000000000, 0.0002707300000000 ] - [ 0.0000850400000000, 0.0007735600000000, -0.0001945700000000 ] - [ 0.0016224600000000, 0.0012281600000000, -0.0008381700000000 ] - [ 0.0034295800000000, 0.0017398600000000, 0.0006981400000000 ] - [ -0.0014743000000000, 0.0018995700000000, -0.0031302000000000 ] - [ -0.0019338400000000, -0.0016313300000000, -0.0030035400000000 ] - [ -0.0004238700000000, 0.0004562100000000, 0.0009241800000000 ] - [ -0.0009341300000000, -0.0003063000000000, -0.0016999200000000 ] - [ -0.0006062000000000, 0.0002567600000000, -0.0025380800000000 ] - [ -0.0005800000000000, -0.0001620100000000, -0.0034312600000000 ] - [ -0.0002383700000000, -0.0001869900000000, -0.0028355700000000 ] - [ -0.0002148200000000, 0.0001588900000000, -0.0006813800000000 ] - [ -0.0015827100000000, 0.0019697100000000, -0.0028958500000000 ] - [ -0.0004058700000000, -0.0015006800000000, -0.0019053400000000 ] - [ -0.0026934900000000, 0.0015769600000000, -0.0004416000000000 ] - [ -0.0026989500000000, 0.0015054900000000, -0.0006177600000000 ] - [ -0.0024364000000000, -0.0009159200000000, -0.0011147400000000 ] - [ -0.0024395700000000, -0.0016774000000000, -0.0007026500000000 ] - [ -0.0037785000000000, -0.0023950900000000, -0.0005631500000000 ] - [ -0.0018572100000000, -0.0008561100000000, -0.0005134900000000 ] - [ -0.0011686800000000, -0.0012091600000000, -0.0022964200000000 ] - [ 0.0001639500000000, 0.0007848000000000, -0.0007529400000000 ] - [ -0.0026417600000000, -0.0026704900000000, 0.0007836300000000 ] - [ -0.0040999400000000, -0.0008685800000000, -0.0000995300000000 ] - [ -0.0004458100000000, -0.0008499200000000, -0.0042863200000000 ] - [ -0.0004938500000000, 0.0008586200000000, -0.0051636200000000 ] - [ -0.0049892500000000, 0.0004647400000000, 0.0004260700000000 ] - [ -0.0038395300000000, 0.0037301200000000, 0.0012248500000000 ] - [ -0.0023041600000000, 0.0007073500000000, -0.0011225000000000 ] - [ -0.0026621600000000, 0.0021484000000000, -0.0007252300000000 ] - [ -0.0274892100000000, -0.0110853000000000, 0.0010378700000000 ] - [ 0.0042841000000000, 0.0049974900000000, 0.0002984600000000 ] - [ 0.0043333100000000, -0.0046601900000000, 0.0008960200000000 ] - [ -0.0300656300000000, 0.0259845100000000, 0.0056289300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004740900000000, -0.0077035800000000, 0.0045480100000000 ] - [ -0.0096742200000000, 0.0086335600000000, -0.0050064300000000 ] - [ 0.0062250800000000, 0.0024737700000000, 0.0033205900000000 ] - [ -0.0002572500000000, -0.0016213600000000, 0.0005106100000000 ] - [ 0.0002207000000000, 0.0011420700000000, -0.0004082000000000 ] - [ 0.0012843300000000, -0.0010981200000000, 0.0000988500000000 ] - [ -0.0009419400000000, -0.0018615800000000, -0.0010316500000000 ] - [ 0.0044434000000000, 0.0021963700000000, -0.0032456900000000 ] - [ -0.0174608900000000, -0.0190017900000000, -0.0018306700000000 ] - [ -0.0024220100000000, 0.0085433900000000, -0.0106632300000000 ] - [ -0.0008256200000000, -0.0028752600000000, -0.0027897700000000 ] - [ -0.0005664200000000, 0.0031340200000000, 0.0142502500000000 ] - [ 0.0003892500000000, 0.0045044900000000, -0.0225270600000000 ] - [ -0.0005531200000000, -0.0056165100000000, 0.0011704800000000 ] - [ -0.0362222600000000, 0.0599580100000000, 0.0172660000000000 ] - [ -0.0145887500000000, -0.0247020800000000, -0.0000163900000000 ] - [ 0.0104728000000000, -0.0142792600000000, -0.0002663700000000 ] - [ 0.0023934500000000, 0.0092395700000000, -0.0019613800000000 ] - [ -0.0001936600000000, -0.0051365700000000, -0.0014753700000000 ] - [ -0.0006830300000000, 0.0049100400000000, -0.0178837900000000 ] - [ 0.0044957200000000, 0.0019756800000000, 0.0015523600000000 ] - [ 0.0032679500000000, -0.0024762500000000, 0.0004899300000000 ] - [ -0.0021309800000000, 0.0049589300000000, 0.0107320300000000 ] - [ -0.0000636700000000, -0.0048484900000000, -0.0018319700000000 ] - [ 0.0024314000000000, -0.0027111800000000, 0.0043180500000000 ] - [ 0.0007215400000000, 0.0026021400000000, 0.0016952000000000 ] - [ 0.0029288200000000, -0.0017042300000000, 0.0008514900000000 ] - [ 0.0039660400000000, 0.0011757000000000, 0.0016833200000000 ] - [ 0.0040662300000000, 0.0103144400000000, -0.0007351500000000 ] - [ 0.0079409500000000, -0.0127061500000000, 0.0007913500000000 ] - [ 0.0025039600000000, 0.0024333200000000, 0.0023053500000000 ] - [ 0.0029459100000000, -0.0029717700000000, 0.0035582000000000 ] - [ 0.0009330000000000, 0.0020711400000000, -0.0005270500000000 ] - [ -0.0096529400000000, 0.0046093000000000, 0.0270151500000000 ] - [ 0.0001952000000000, -0.0004624700000000, -0.0001269200000000 ] - [ -0.0023928300000000, 0.0024245500000000, -0.0012265300000000 ] - [ -0.0022250100000000, -0.0026611100000000, -0.0009964100000000 ] - [ 0.0006852300000000, 0.0015102700000000, -0.0000264200000000 ] - [ 0.0005231100000000, -0.0014410400000000, 0.0039277200000000 ] - [ -0.0009750600000000, 0.0017976300000000, 0.0010040100000000 ] - [ -0.0107774200000000, 0.0026244200000000, -0.0212023200000000 ] - [ 0.0016527800000000, 0.0025190800000000, 0.0025726000000000 ] - [ -0.0059859300000000, 0.0011438700000000, 0.0347484100000000 ] - [ 0.0004691600000000, 0.0013169600000000, -0.0020426300000000 ] - [ 0.0008880800000000, 0.0011964800000000, 0.0028497600000000 ] - [ -0.0043462000000000, 0.0017394900000000, -0.0228987200000000 ] - [ 0.0041536300000000, -0.0050708500000000, 0.0006056800000000 ] - [ -0.0009867400000000, 0.0019700600000000, 0.0003229600000000 ] - [ 0.1141651800000000, -0.1674784000000000, -0.0098453600000000 ] - [ -0.0043794600000000, 0.0124513400000000, 0.0007677500000000 ] - [ -0.0040245600000000, -0.0057135200000000, 0.0028052700000000 ] - [ 0.0027947300000000, 0.0035523500000000, -0.0002458800000000 ] - [ 0.0158991300000000, 0.0343687600000000, -0.0025777500000000 ] - [ 0.0140782400000000, 0.0469918900000000, 0.0005193600000000 ] - [ 0.0016724200000000, 0.0011579300000000, 0.0014318300000000 ] - [ 0.0007472900000000, 0.0010651200000000, -0.0008056800000000 ] - [ -0.0105134900000000, -0.0144227200000000, -0.0020419700000000 ] - [ 0.0038018600000000, 0.0069697200000000, 0.0005120700000000 ] - [ -0.0003724500000000, 0.0010896800000000, 0.0027719500000000 ] - [ -0.0002403900000000, -0.0007428200000000, 0.0049718500000000 ] - [ -0.0265652900000000, 0.0255442200000000, -0.0066528200000000 ] - [ 0.0050301500000000, -0.0023409600000000, -0.0003505500000000 ] - [ -0.0014911800000000, 0.0026428400000000, 0.0020938100000000 ] - [ -0.0020303900000000, 0.0020194700000000, 0.0025538400000000 ] - [ -0.0038335000000000, -0.0015370100000000, 0.0002555300000000 ] - [ -0.0002836200000000, -0.0007445300000000, -0.0002072500000000 ] - [ -0.0011315500000000, -0.0008673200000000, 0.0004572600000000 ] - [ -0.0039075700000000, 0.0047861100000000, -0.0013322100000000 ] - [ -0.0015344800000000, -0.0004010500000000, -0.0015809000000000 ] - [ -0.0012640300000000, 0.0005144400000000, -0.0016619900000000 ] - [ 0.0049533500000000, -0.0062625500000000, 0.0010371400000000 ] - [ -0.0013898600000000, 0.0025347700000000, -0.0003284700000000 ] - [ 0.0006594000000000, 0.0005406500000000, -0.0012878200000000 ] - [ 0.0014436000000000, 0.0019323500000000, 0.0017871600000000 ] - [ -0.0017385900000000, 0.0025182300000000, -0.0038669400000000 ] - [ 0.0010109000000000, -0.0016287700000000, -0.0010713500000000 ] - [ -0.0000642900000000, 0.0006535000000000, 0.0011895100000000 ] - [ -0.0004974700000000, -0.0005891500000000, -0.0012453800000000 ] - [ -0.0004443800000000, 0.0003461300000000, -0.0018088300000000 ] - [ -0.0004282900000000, -0.0002771200000000, -0.0011732300000000 ] - [ -0.0001303600000000, -0.0004511900000000, -0.0028646400000000 ] - [ -0.0002003000000000, 0.0004191700000000, 0.0005450200000000 ] - [ -0.0013455400000000, 0.0013964100000000, -0.0029913800000000 ] - [ 0.0013009900000000, 0.0013394400000000, 0.0014595700000000 ] - [ -0.0014432600000000, 0.0009425100000000, -0.0002191500000000 ] - [ -0.0015155600000000, 0.0009358500000000, -0.0004575200000000 ] - [ -0.0016627700000000, -0.0006805100000000, -0.0007330600000000 ] - [ -0.0009683100000000, -0.0007284500000000, -0.0002553900000000 ] - [ -0.0023325000000000, -0.0018182500000000, -0.0003163400000000 ] - [ -0.0007951800000000, -0.0000116800000000, -0.0003369800000000 ] - [ -0.0008685100000000, -0.0033586100000000, -0.0007996300000000 ] - [ 0.0007460000000000, 0.0021997300000000, -0.0007224000000000 ] - [ -0.0010628400000000, -0.0012557800000000, 0.0005225000000000 ] - [ -0.0026901200000000, -0.0005957400000000, -0.0000474100000000 ] - [ 0.0000407100000000, -0.0006897400000000, -0.0016338400000000 ] - [ -0.0002720700000000, 0.0008744600000000, -0.0037518600000000 ] - [ -0.0021318100000000, -0.0004783200000000, 0.0001626300000000 ] - [ -0.0028296300000000, 0.0035315700000000, 0.0010742200000000 ] - [ -0.0007291200000000, -0.0006208600000000, -0.0006822400000000 ] - [ -0.0021441900000000, 0.0022164800000000, -0.0005006800000000 ] - [ -0.0126740400000000, -0.0114929500000000, 0.0007604800000000 ] - [ 0.0049478200000000, 0.0059910000000000, -0.0000051800000000 ] - [ 0.0046140000000000, -0.0027148400000000, 0.0006269300000000 ] - [ -0.0227207500000000, 0.0242076000000000, 0.0046281900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001866700000000, 0.0076866700000000, -0.0048894700000000 ] - [ 0.0102026100000000, -0.0083526300000000, 0.0050034000000000 ] - [ -0.0051537000000000, -0.0024906500000000, -0.0031879200000000 ] - [ 0.0013100200000000, 0.0016301900000000, -0.0003979700000000 ] - [ 0.0000734500000000, -0.0011429300000000, 0.0001159900000000 ] - [ -0.0009718200000000, 0.0011021700000000, -0.0004027500000000 ] - [ 0.0019870800000000, 0.0018526800000000, 0.0011646900000000 ] - [ -0.0034020000000000, -0.0021832100000000, 0.0033869600000000 ] - [ 0.0172667900000000, 0.0190442200000000, 0.0014808000000000 ] - [ -0.0000248200000000, -0.0073911600000000, 0.0100195800000000 ] - [ 0.0015008900000000, 0.0028648000000000, 0.0031270600000000 ] - [ 0.0012268000000000, -0.0031128500000000, -0.0139570300000000 ] - [ -0.0002162200000000, -0.0045305600000000, 0.0238374900000000 ] - [ 0.0007311200000000, 0.0056364600000000, 0.0001405500000000 ] - [ 0.0412310400000000, -0.0636362400000000, -0.0181186900000000 ] - [ 0.0154262400000000, 0.0246100100000000, 0.0000398300000000 ] - [ -0.0106330500000000, 0.0142842700000000, 0.0000359900000000 ] - [ -0.0024395300000000, -0.0091418400000000, 0.0017319700000000 ] - [ 0.0001707400000000, 0.0051193900000000, 0.0011000300000000 ] - [ 0.0006487300000000, -0.0048781300000000, 0.0175034200000000 ] - [ -0.0048574600000000, -0.0020044700000000, -0.0018918800000000 ] - [ -0.0036475800000000, 0.0024945600000000, -0.0008393400000000 ] - [ 0.0027926600000000, -0.0049880100000000, -0.0103718600000000 ] - [ 0.0007197200000000, 0.0048798900000000, 0.0021423900000000 ] - [ -0.0022285300000000, 0.0026958800000000, -0.0030298800000000 ] - [ -0.0005230800000000, -0.0025916400000000, -0.0003828200000000 ] - [ -0.0019846200000000, 0.0016989700000000, -0.0008213500000000 ] - [ -0.0030363100000000, -0.0011607800000000, -0.0016556400000000 ] - [ -0.0041878600000000, -0.0103750900000000, 0.0005202800000000 ] - [ -0.0079930500000000, 0.0127005500000000, -0.0010017100000000 ] - [ -0.0025013400000000, -0.0024477700000000, -0.0026796100000000 ] - [ -0.0029405600000000, 0.0029860500000000, -0.0039155000000000 ] - [ -0.0018459700000000, -0.0020693400000000, 0.0009659200000000 ] - [ 0.0087303600000000, -0.0046619800000000, -0.0264759300000000 ] - [ -0.0002824400000000, 0.0002679700000000, -0.0001505700000000 ] - [ 0.0023147200000000, -0.0026351900000000, 0.0009561100000000 ] - [ 0.0021457400000000, 0.0028656500000000, 0.0007248400000000 ] - [ -0.0007693100000000, -0.0013096800000000, -0.0002500500000000 ] - [ -0.0006340900000000, 0.0014480900000000, -0.0043440000000000 ] - [ 0.0008594000000000, -0.0018005400000000, -0.0014019400000000 ] - [ 0.0109107000000000, -0.0025156300000000, 0.0220721000000000 ] - [ -0.0014632000000000, -0.0025372000000000, -0.0017406700000000 ] - [ 0.0054198800000000, -0.0010432600000000, -0.0347590700000000 ] - [ -0.0010024500000000, -0.0013215200000000, 0.0021922200000000 ] - [ -0.0008853000000000, -0.0011916300000000, -0.0037411800000000 ] - [ 0.0043640900000000, -0.0017999200000000, 0.0219501700000000 ] - [ -0.0038964600000000, 0.0050005900000000, -0.0007842800000000 ] - [ 0.0012432400000000, -0.0020415800000000, -0.0005246700000000 ] - [ -0.1163665600000000, 0.1696105700000000, 0.0103044600000000 ] - [ 0.0042646700000000, -0.0122427400000000, -0.0010178700000000 ] - [ 0.0036245400000000, 0.0053505800000000, -0.0026643200000000 ] - [ -0.0032073000000000, -0.0039276000000000, 0.0003877000000000 ] - [ -0.0161811100000000, -0.0349948700000000, 0.0023572700000000 ] - [ -0.0140276300000000, -0.0464777100000000, -0.0007678900000000 ] - [ -0.0014144100000000, -0.0010783900000000, -0.0016332000000000 ] - [ -0.0004909100000000, -0.0009998000000000, 0.0006094400000000 ] - [ 0.0098763800000000, 0.0140302500000000, 0.0020038200000000 ] - [ -0.0042074200000000, -0.0073819900000000, -0.0005354700000000 ] - [ 0.0007940000000000, -0.0010886900000000, -0.0029259300000000 ] - [ 0.0006529900000000, 0.0007378500000000, -0.0050837300000000 ] - [ 0.0263138700000000, -0.0253282700000000, 0.0067050200000000 ] - [ -0.0054181000000000, 0.0027179100000000, 0.0003140500000000 ] - [ 0.0010826700000000, -0.0022686300000000, -0.0019506300000000 ] - [ 0.0016278000000000, -0.0016543400000000, -0.0024122200000000 ] - [ 0.0037643200000000, 0.0013023300000000, 0.0001193800000000 ] - [ 0.0001832800000000, 0.0004626500000000, 0.0005751400000000 ] - [ 0.0010085800000000, 0.0011469600000000, -0.0000843400000000 ] - [ 0.0038338800000000, -0.0045403100000000, 0.0017126300000000 ] - [ 0.0006223000000000, 0.0004048900000000, 0.0019831700000000 ] - [ 0.0003541600000000, -0.0005168500000000, 0.0020656900000000 ] - [ -0.0050143000000000, 0.0060447700000000, -0.0013259500000000 ] - [ 0.0013164000000000, -0.0027475800000000, 0.0000542000000000 ] - [ -0.0007260600000000, -0.0003111400000000, 0.0010101100000000 ] - [ -0.0015265600000000, -0.0017358900000000, -0.0020673100000000 ] - [ 0.0016322200000000, -0.0025138700000000, 0.0034930700000000 ] - [ -0.0011426500000000, 0.0016194400000000, 0.0006549500000000 ] - [ 0.0002441900000000, -0.0006502400000000, -0.0003854700000000 ] - [ 0.0006774200000000, 0.0005857100000000, 0.0020421000000000 ] - [ -0.0000930300000000, -0.0003437000000000, 0.0019918200000000 ] - [ -0.0001096700000000, 0.0002754300000000, 0.0013532600000000 ] - [ 0.0001379000000000, 0.0004555400000000, 0.0019969600000000 ] - [ 0.0002079100000000, -0.0004210500000000, -0.0014096100000000 ] - [ 0.0015963100000000, -0.0014524300000000, 0.0027809900000000 ] - [ -0.0010459100000000, -0.0014346200000000, -0.0016757000000000 ] - [ 0.0013433600000000, -0.0007217900000000, -0.0000405900000000 ] - [ 0.0014245700000000, -0.0007298500000000, 0.0001981000000000 ] - [ 0.0012449200000000, 0.0003081000000000, 0.0008737800000000 ] - [ 0.0005423600000000, 0.0003381700000000, 0.0003949600000000 ] - [ 0.0022339800000000, 0.0016059700000000, 0.0000558300000000 ] - [ 0.0007029900000000, -0.0002006600000000, 0.0000773200000000 ] - [ 0.0011198700000000, 0.0034370300000000, 0.0005835400000000 ] - [ -0.0004867500000000, -0.0021311100000000, 0.0005294200000000 ] - [ 0.0006308500000000, 0.0008208900000000, -0.0005590600000000 ] - [ 0.0022434500000000, 0.0001417900000000, 0.0000155400000000 ] - [ 0.0003783300000000, 0.0006938600000000, 0.0015059900000000 ] - [ 0.0006860700000000, -0.0008741800000000, 0.0036015500000000 ] - [ 0.0017039600000000, 0.0009219700000000, -0.0002022000000000 ] - [ 0.0023877100000000, -0.0030809300000000, -0.0011066800000000 ] - [ 0.0003080000000000, 0.0010033100000000, 0.0008191900000000 ] - [ 0.0017251700000000, -0.0018345500000000, 0.0006432500000000 ] - [ 0.0126604300000000, 0.0111644100000000, -0.0003883800000000 ] - [ -0.0050727000000000, -0.0062711900000000, 0.0003795300000000 ] - [ -0.0047502100000000, 0.0030354200000000, -0.0002553600000000 ] - [ 0.0225608700000000, -0.0237744500000000, -0.0041973500000000 ]- atom: 49 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0000747800000000, -0.0022448200000000, 0.0028290800000000 ] - [ -0.0091835900000000, 0.0016138900000000, 0.0022657300000000 ] - [ 0.0023407900000000, 0.0002028700000000, 0.0038835700000000 ] - [ 0.0003229300000000, -0.0005480600000000, 0.0010160200000000 ] - [ 0.0002622400000000, 0.0004490700000000, -0.0008316600000000 ] - [ 0.0010162500000000, -0.0004596500000000, -0.0002241000000000 ] - [ -0.0000926800000000, -0.0009171600000000, -0.0009764100000000 ] - [ 0.0047932100000000, 0.0009535700000000, -0.0026857500000000 ] - [ -0.0092424200000000, -0.0062293300000000, -0.0006650700000000 ] - [ -0.0030403000000000, -0.0025153400000000, 0.0020004400000000 ] - [ -0.0004279500000000, -0.0017032500000000, -0.0011121500000000 ] - [ -0.0006494300000000, 0.0019020000000000, 0.0035216600000000 ] - [ 0.0020480500000000, 0.0023061100000000, -0.0184216700000000 ] - [ 0.0015478600000000, -0.0040384400000000, -0.0012698900000000 ] - [ -0.0323948400000000, 0.0324134600000000, 0.0232195300000000 ] - [ -0.0044268200000000, -0.0055802700000000, -0.0004365500000000 ] - [ 0.0066203100000000, -0.0078238300000000, 0.0001092700000000 ] - [ 0.0077449100000000, 0.0095188900000000, -0.0029068500000000 ] - [ 0.0011721100000000, -0.0025393100000000, -0.0019167700000000 ] - [ 0.0009070800000000, 0.0017944800000000, -0.0215904400000000 ] - [ 0.0041674900000000, 0.0003750400000000, -0.0001497900000000 ] - [ 0.0029539900000000, -0.0009460600000000, -0.0001054500000000 ] - [ -0.0021942800000000, 0.0037440800000000, 0.0010021100000000 ] - [ -0.0007058200000000, -0.0031236900000000, -0.0006576800000000 ] - [ 0.0005396300000000, -0.0004908000000000, 0.0027461300000000 ] - [ -0.0000995700000000, 0.0008004800000000, 0.0019880600000000 ] - [ 0.0023049600000000, -0.0004122800000000, 0.0002277500000000 ] - [ 0.0034288500000000, 0.0002624200000000, 0.0007168500000000 ] - [ 0.0057721700000000, 0.0090184900000000, -0.0000068400000000 ] - [ 0.0047329700000000, -0.0072227900000000, 0.0011748100000000 ] - [ 0.0008319900000000, 0.0008550600000000, 0.0021800900000000 ] - [ 0.0010089800000000, -0.0009222000000000, 0.0023238500000000 ] - [ 0.0001990000000000, 0.0007696400000000, 0.0002647400000000 ] - [ -0.0135718100000000, 0.0132069100000000, 0.0287123500000000 ] - [ 0.0001297700000000, -0.0002424100000000, -0.0002110500000000 ] - [ -0.0006772500000000, 0.0004246800000000, -0.0003575800000000 ] - [ -0.0006012400000000, -0.0007433800000000, -0.0005042000000000 ] - [ 0.0002206100000000, 0.0006575900000000, -0.0001101100000000 ] - [ -0.0000953700000000, -0.0008888700000000, 0.0032765100000000 ] - [ -0.0008486500000000, 0.0012351600000000, 0.0006835600000000 ] - [ 0.0047039800000000, -0.0040527300000000, -0.0057136600000000 ] - [ 0.0007277000000000, 0.0012486300000000, 0.0004331500000000 ] - [ -0.0070473500000000, 0.0070095800000000, 0.0254222300000000 ] - [ -0.0001746200000000, 0.0004235700000000, 0.0012291700000000 ] - [ 0.0005125700000000, 0.0004852100000000, 0.0007832000000000 ] - [ 0.0029884300000000, -0.0014693500000000, -0.0081270300000000 ] - [ 0.0021060400000000, -0.0024832300000000, 0.0017202200000000 ] - [ -0.0007825800000000, 0.0011981400000000, 0.0002726400000000 ] - [ 0.0919631200000000, -0.0738162100000000, -0.0403325600000000 ] - [ -0.0006029400000000, 0.0033210800000000, 0.0002082600000000 ] - [ -0.0040429400000000, -0.0045990400000000, 0.0025389800000000 ] - [ 0.0012356700000000, 0.0017901400000000, 0.0000965500000000 ] - [ 0.0114585300000000, 0.0111552900000000, -0.0039760200000000 ] - [ 0.0078326300000000, 0.0073984400000000, -0.0026425200000000 ] - [ 0.0012246200000000, 0.0009587400000000, 0.0010096500000000 ] - [ -0.0000873200000000, 0.0001177900000000, 0.0000309200000000 ] - [ -0.0216212900000000, -0.0082169100000000, -0.0047230900000000 ] - [ 0.0013558400000000, 0.0025238400000000, -0.0001689500000000 ] - [ -0.0002267800000000, 0.0005336200000000, 0.0021212500000000 ] - [ -0.0007169600000000, -0.0003865100000000, 0.0066828400000000 ] - [ -0.0182467100000000, 0.0149609100000000, -0.0029783000000000 ] - [ 0.0018540400000000, -0.0018907700000000, -0.0007080700000000 ] - [ -0.0019279700000000, 0.0024844100000000, 0.0019629500000000 ] - [ -0.0038307100000000, 0.0033507900000000, 0.0032913100000000 ] - [ -0.0025480300000000, -0.0009879000000000, 0.0001473900000000 ] - [ -0.0013678300000000, -0.0014579000000000, -0.0002481800000000 ] - [ -0.0031936300000000, 0.0006116500000000, 0.0002006500000000 ] - [ -0.0027002400000000, 0.0028604100000000, -0.0007714700000000 ] - [ -0.0010064700000000, -0.0001293400000000, -0.0009847600000000 ] - [ -0.0009686700000000, 0.0002010600000000, -0.0009853100000000 ] - [ 0.0036710600000000, -0.0040088900000000, 0.0019965400000000 ] - [ -0.0007218500000000, 0.0012159800000000, -0.0001908100000000 ] - [ -0.0002510200000000, -0.0004789700000000, -0.0003843200000000 ] - [ 0.0019918000000000, 0.0021306500000000, 0.0012808500000000 ] - [ -0.0007656400000000, 0.0010646600000000, -0.0026216000000000 ] - [ 0.0005473000000000, -0.0011071000000000, -0.0018677900000000 ] - [ -0.0000191100000000, 0.0003148100000000, 0.0009042100000000 ] - [ -0.0004837700000000, -0.0002924400000000, 0.0000930600000000 ] - [ -0.0003321200000000, 0.0000842200000000, -0.0007347800000000 ] - [ -0.0003537300000000, -0.0000996100000000, -0.0007070300000000 ] - [ -0.0001332800000000, -0.0002661100000000, 0.0000744100000000 ] - [ -0.0001459500000000, 0.0002517000000000, 0.0005577900000000 ] - [ 0.0006789500000000, -0.0007308500000000, -0.0007290700000000 ] - [ 0.0009880600000000, 0.0006985600000000, 0.0005717600000000 ] - [ -0.0011600400000000, 0.0006793700000000, -0.0001454000000000 ] - [ -0.0013066100000000, 0.0008330100000000, -0.0002449500000000 ] - [ -0.0008596800000000, -0.0003429600000000, -0.0005314700000000 ] - [ -0.0005333000000000, -0.0003760500000000, -0.0002893900000000 ] - [ -0.0018279100000000, -0.0012638400000000, -0.0001708800000000 ] - [ -0.0007648500000000, -0.0003661600000000, -0.0002104600000000 ] - [ 0.0004516300000000, -0.0009427100000000, -0.0004777400000000 ] - [ 0.0005476300000000, 0.0009850500000000, -0.0006072800000000 ] - [ -0.0013463500000000, -0.0014636100000000, 0.0005423300000000 ] - [ -0.0019834200000000, -0.0003845100000000, -0.0000701900000000 ] - [ 0.0000683200000000, -0.0004657800000000, -0.0020572100000000 ] - [ -0.0000664200000000, 0.0004627200000000, -0.0026103100000000 ] - [ -0.0026500800000000, 0.0001749600000000, 0.0003988800000000 ] - [ -0.0016075200000000, 0.0016582000000000, 0.0005446100000000 ] - [ -0.0004513300000000, -0.0001351900000000, -0.0004519000000000 ] - [ -0.0009634000000000, 0.0008336400000000, -0.0003339800000000 ] - [ -0.0153131600000000, -0.0062442200000000, -0.0013505400000000 ] - [ 0.0024588900000000, 0.0027417300000000, 0.0001034300000000 ] - [ 0.0026454400000000, -0.0025098700000000, 0.0004818600000000 ] - [ -0.0136180200000000, 0.0112942000000000, 0.0044438300000000 ]- atom: 49 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0003764200000000, 0.0022337000000000, -0.0031173100000000 ] - [ 0.0095255300000000, -0.0015580300000000, -0.0024995200000000 ] - [ -0.0012848300000000, -0.0001895400000000, -0.0037555000000000 ] - [ 0.0007318800000000, 0.0005445500000000, -0.0008946400000000 ] - [ 0.0000339300000000, -0.0004453600000000, 0.0005378700000000 ] - [ -0.0007087800000000, 0.0004604400000000, -0.0000802000000000 ] - [ 0.0011341700000000, 0.0009196100000000, 0.0011201600000000 ] - [ -0.0037242200000000, -0.0009709400000000, 0.0028330700000000 ] - [ 0.0088411200000000, 0.0062265400000000, 0.0003179600000000 ] - [ 0.0025604800000000, 0.0027815800000000, -0.0026580100000000 ] - [ 0.0011037200000000, 0.0017119900000000, 0.0014261500000000 ] - [ 0.0013228800000000, -0.0019030400000000, -0.0032676000000000 ] - [ -0.0018548900000000, -0.0023033600000000, 0.0198054800000000 ] - [ -0.0013293600000000, 0.0040151200000000, 0.0025572000000000 ] - [ 0.0340980800000000, -0.0337942800000000, -0.0228799300000000 ] - [ 0.0053875900000000, 0.0055971700000000, 0.0004453700000000 ] - [ -0.0066977700000000, 0.0078146700000000, -0.0003462000000000 ] - [ -0.0078312500000000, -0.0095190000000000, 0.0026551200000000 ] - [ -0.0011977000000000, 0.0025515800000000, 0.0015460000000000 ] - [ -0.0009256600000000, -0.0018092500000000, 0.0210820700000000 ] - [ -0.0045428800000000, -0.0003701800000000, -0.0001996500000000 ] - [ -0.0033342500000000, 0.0009407000000000, -0.0002509000000000 ] - [ 0.0028239800000000, -0.0037234300000000, -0.0006653800000000 ] - [ 0.0013460600000000, 0.0031205900000000, 0.0009848500000000 ] - [ -0.0003464300000000, 0.0004913200000000, -0.0014379500000000 ] - [ 0.0002877500000000, -0.0008032600000000, -0.0006868500000000 ] - [ -0.0013782300000000, 0.0004275500000000, -0.0002015500000000 ] - [ -0.0025061300000000, -0.0002747100000000, -0.0006983900000000 ] - [ -0.0058523400000000, -0.0089826700000000, -0.0001993700000000 ] - [ -0.0048597600000000, 0.0072487000000000, -0.0013832900000000 ] - [ -0.0008376200000000, -0.0008649900000000, -0.0025479600000000 ] - [ -0.0010149700000000, 0.0009322900000000, -0.0027055200000000 ] - [ -0.0011050200000000, -0.0007712200000000, 0.0001284500000000 ] - [ 0.0124713600000000, -0.0129685500000000, -0.0279725000000000 ] - [ -0.0002089100000000, 0.0000423400000000, -0.0000644200000000 ] - [ 0.0006030300000000, -0.0006343900000000, 0.0000873300000000 ] - [ 0.0005278600000000, 0.0009523500000000, 0.0002337000000000 ] - [ -0.0003035000000000, -0.0004612400000000, -0.0001628800000000 ] - [ -0.0000318300000000, 0.0008856600000000, -0.0036957400000000 ] - [ 0.0007272000000000, -0.0012348600000000, -0.0010960000000000 ] - [ -0.0045446400000000, 0.0040963900000000, 0.0064531200000000 ] - [ -0.0005405700000000, -0.0012493800000000, 0.0003651000000000 ] - [ 0.0066061700000000, -0.0071513900000000, -0.0254603700000000 ] - [ -0.0003672000000000, -0.0004238700000000, -0.0010173100000000 ] - [ -0.0005066700000000, -0.0004849100000000, -0.0016323500000000 ] - [ -0.0029611700000000, 0.0014412900000000, 0.0073232000000000 ] - [ -0.0018684800000000, 0.0024249100000000, -0.0019056300000000 ] - [ 0.0010361200000000, -0.0012733800000000, -0.0004841600000000 ] - [ -0.0926484500000000, 0.0750921700000000, 0.0398599300000000 ] - [ 0.0005143000000000, -0.0031071100000000, -0.0004693700000000 ] - [ 0.0036251000000000, 0.0042232800000000, -0.0023984300000000 ] - [ -0.0016510600000000, -0.0021674600000000, 0.0000427200000000 ] - [ -0.0116061100000000, -0.0113168200000000, 0.0037267600000000 ] - [ -0.0079272100000000, -0.0076953900000000, 0.0023788500000000 ] - [ -0.0009795800000000, -0.0008897200000000, -0.0012222200000000 ] - [ 0.0003390800000000, -0.0000454000000000, -0.0002360900000000 ] - [ 0.0212627700000000, 0.0077917400000000, 0.0047484300000000 ] - [ -0.0017915100000000, -0.0029711500000000, 0.0001429100000000 ] - [ 0.0006465700000000, -0.0005334000000000, -0.0022396500000000 ] - [ 0.0011297900000000, 0.0003919200000000, -0.0067647100000000 ] - [ 0.0178599900000000, -0.0145283300000000, 0.0029334600000000 ] - [ -0.0022977600000000, 0.0023384700000000, 0.0006816900000000 ] - [ 0.0015387200000000, -0.0021366400000000, -0.0018333000000000 ] - [ 0.0033651700000000, -0.0029285200000000, -0.0031241000000000 ] - [ 0.0024548000000000, 0.0007281200000000, 0.0002228800000000 ] - [ 0.0012776200000000, 0.0012026300000000, 0.0006216600000000 ] - [ 0.0031024200000000, -0.0003562600000000, 0.0001717300000000 ] - [ 0.0026049400000000, -0.0025990200000000, 0.0011469400000000 ] - [ 0.0000950200000000, 0.0001296100000000, 0.0013880200000000 ] - [ 0.0000594000000000, -0.0002014800000000, 0.0013942700000000 ] - [ -0.0037036000000000, 0.0037753200000000, -0.0022612000000000 ] - [ 0.0006499000000000, -0.0014205500000000, -0.0000907500000000 ] - [ 0.0001779200000000, 0.0006820600000000, 0.0001053300000000 ] - [ -0.0020454600000000, -0.0019092600000000, -0.0015580100000000 ] - [ 0.0006385900000000, -0.0010581300000000, 0.0022130000000000 ] - [ -0.0006738500000000, 0.0011052500000000, 0.0014630900000000 ] - [ 0.0002098700000000, -0.0003169300000000, -0.0001034900000000 ] - [ 0.0006682300000000, 0.0002951200000000, 0.0007121800000000 ] - [ -0.0002040300000000, -0.0000844200000000, 0.0009186200000000 ] - [ -0.0001834400000000, 0.0000997100000000, 0.0008942700000000 ] - [ 0.0001401600000000, 0.0002648000000000, -0.0009324900000000 ] - [ 0.0001505400000000, -0.0002510400000000, -0.0014202900000000 ] - [ -0.0004133600000000, 0.0006478500000000, 0.0005100500000000 ] - [ -0.0007292700000000, -0.0007847100000000, -0.0007917400000000 ] - [ 0.0010716300000000, -0.0004705100000000, -0.0001166500000000 ] - [ 0.0012151100000000, -0.0006209000000000, -0.0000124800000000 ] - [ 0.0004386300000000, -0.0000379400000000, 0.0006725700000000 ] - [ 0.0001154000000000, -0.0000037500000000, 0.0004300900000000 ] - [ 0.0017344900000000, 0.0010531600000000, -0.0000890600000000 ] - [ 0.0006778900000000, 0.0001545400000000, -0.0000487300000000 ] - [ -0.0001885200000000, 0.0010228400000000, 0.0002610800000000 ] - [ -0.0002853200000000, -0.0009070000000000, 0.0003957800000000 ] - [ 0.0009093800000000, 0.0010111600000000, -0.0005691000000000 ] - [ 0.0015532200000000, -0.0000557800000000, 0.0000427200000000 ] - [ 0.0003512000000000, 0.0004652900000000, 0.0019167300000000 ] - [ 0.0004843900000000, -0.0004640200000000, 0.0024884500000000 ] - [ 0.0021996700000000, 0.0002772100000000, -0.0004236900000000 ] - [ 0.0011879400000000, -0.0012253800000000, -0.0005779500000000 ] - [ 0.0000321500000000, 0.0005155600000000, 0.0005900900000000 ] - [ 0.0005475600000000, -0.0004561500000000, 0.0004748400000000 ] - [ 0.0151125200000000, 0.0059490900000000, 0.0016774000000000 ] - [ -0.0025564000000000, -0.0030089300000000, 0.0002642700000000 ] - [ -0.0027238000000000, 0.0027598400000000, -0.0001131400000000 ] - [ 0.0135863100000000, -0.0111204500000000, -0.0040292900000000 ]- atom: 51 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0012343900000000, -0.0010192200000000, 0.0016277000000000 ] - [ -0.0043591700000000, 0.0008996400000000, 0.0054253200000000 ] - [ -0.0005829300000000, 0.0012233600000000, 0.0001986900000000 ] - [ -0.0011092700000000, -0.0011009100000000, -0.0002123200000000 ] - [ -0.0058837400000000, -0.0006184700000000, -0.0047621000000000 ] - [ -0.0005513800000000, 0.0001340400000000, -0.0012826000000000 ] - [ 0.0013934800000000, -0.0051968400000000, -0.0027188200000000 ] - [ 0.0107363300000000, 0.0072901500000000, -0.0027840900000000 ] - [ 0.0019768900000000, -0.0034012000000000, 0.0025612200000000 ] - [ 0.0035724500000000, 0.0032269100000000, 0.0228677000000000 ] - [ -0.0077809500000000, -0.0097710700000000, 0.0006469000000000 ] - [ -0.0127027600000000, 0.0148856100000000, 0.0045604800000000 ] - [ 0.0528742400000000, 0.0466274600000000, -0.0114836000000000 ] - [ 0.0099433900000000, -0.0080764300000000, 0.0032637800000000 ] - [ 0.0017686000000000, 0.0039282900000000, 0.0204015000000000 ] - [ 0.0016720900000000, -0.0049921400000000, 0.0033182200000000 ] - [ 0.0005716300000000, -0.0017470800000000, 0.0015026300000000 ] - [ 0.0003798400000000, 0.0016611000000000, -0.0158495400000000 ] - [ 0.0149366300000000, -0.0086668600000000, 0.0017138400000000 ] - [ 0.0149171000000000, -0.0013520400000000, 0.0140112800000000 ] - [ -0.0049856200000000, 0.0019760800000000, -0.0055113700000000 ] - [ -0.0051986900000000, -0.0024715200000000, -0.0054640900000000 ] - [ -0.0107861800000000, 0.0155553300000000, -0.0004632600000000 ] - [ -0.0099497700000000, -0.0142085300000000, -0.0010214700000000 ] - [ -0.0042383000000000, -0.0010856200000000, -0.0009636300000000 ] - [ -0.0059198200000000, 0.0005860800000000, -0.0027426300000000 ] - [ -0.0030079900000000, -0.0021254800000000, -0.0038335800000000 ] - [ -0.0031040100000000, 0.0014747300000000, -0.0047216300000000 ] - [ 0.0035094800000000, 0.0023015500000000, -0.0093617600000000 ] - [ 0.0019826600000000, -0.0013965400000000, -0.0000595200000000 ] - [ -0.0079792400000000, -0.0004492400000000, -0.0025956400000000 ] - [ -0.0058824900000000, -0.0004782600000000, -0.0020703600000000 ] - [ -0.0021145900000000, 0.0011748700000000, -0.0007328400000000 ] - [ 0.0046209800000000, 0.0099251900000000, -0.0327948700000000 ] - [ 0.0031273600000000, -0.0008294000000000, -0.0001727700000000 ] - [ 0.0031374800000000, -0.0030949200000000, 0.0005729300000000 ] - [ 0.0058706800000000, 0.0017730200000000, -0.0001477500000000 ] - [ 0.0033685700000000, 0.0032062300000000, 0.0009252800000000 ] - [ 0.0064016600000000, 0.0069441300000000, 0.0183188900000000 ] - [ -0.0013164700000000, 0.0002811600000000, -0.0013203100000000 ] - [ 0.0001089100000000, -0.0016332700000000, -0.0042316000000000 ] - [ 0.0010486000000000, 0.0020000100000000, -0.0019159400000000 ] - [ 0.0020158500000000, 0.0029835000000000, -0.0293063100000000 ] - [ -0.0006983600000000, 0.0006524400000000, -0.0018619000000000 ] - [ 0.0003884500000000, 0.0007361600000000, -0.0034686300000000 ] - [ 0.0007078900000000, -0.0006298000000000, -0.0090549000000000 ] - [ 0.0341230300000000, -0.0107023200000000, 0.0018774200000000 ] - [ -0.0020286300000000, 0.0032488800000000, -0.0003742500000000 ] - [ 0.0022337800000000, -0.0037428700000000, -0.0032378800000000 ] - [ -0.0028983100000000, 0.0031168800000000, -0.0003623500000000 ] - [ -0.1537275100000000, -0.1195275600000000, 0.0080989300000000 ] - [ -0.0002462100000000, 0.0040698400000000, -0.0006476400000000 ] - [ 0.0003241600000000, 0.0011942900000000, -0.0020014200000000 ] - [ 0.0013926700000000, 0.0017400400000000, -0.0035474200000000 ] - [ 0.0206135200000000, 0.0158414200000000, 0.0047292400000000 ] - [ -0.0029705300000000, -0.0046394100000000, -0.0004614700000000 ] - [ -0.0039785400000000, -0.0046379500000000, -0.0002911800000000 ] - [ 0.0005570500000000, 0.0012473000000000, -0.0006908100000000 ] - [ -0.0006074000000000, 0.0005309600000000, -0.0020579100000000 ] - [ 0.0029757400000000, 0.0052368600000000, 0.0246116200000000 ] - [ -0.0014862000000000, 0.0009047500000000, -0.0014040800000000 ] - [ -0.0013050200000000, 0.0018497900000000, 0.0002236600000000 ] - [ -0.0182807800000000, 0.0163714900000000, 0.0019873900000000 ] - [ -0.0160407900000000, 0.0135315800000000, -0.0016949700000000 ] - [ 0.0003159900000000, -0.0002280900000000, 0.0004149600000000 ] - [ 0.0031842400000000, 0.0031159500000000, 0.0015453500000000 ] - [ 0.0027467300000000, -0.0028258900000000, 0.0013602300000000 ] - [ -0.0000283600000000, 0.0008831200000000, 0.0002591300000000 ] - [ 0.0011114800000000, -0.0001748600000000, 0.0032279700000000 ] - [ 0.0008741700000000, 0.0003184200000000, 0.0030226200000000 ] - [ 0.0268610100000000, -0.0105738400000000, -0.0011651400000000 ] - [ -0.0043575300000000, 0.0049996700000000, -0.0002022200000000 ] - [ -0.0043083300000000, -0.0045348200000000, -0.0007957900000000 ] - [ 0.0297115000000000, 0.0264146500000000, -0.0053938300000000 ] - [ 0.0004671300000000, 0.0004512100000000, -0.0007177500000000 ] - [ 0.0009547800000000, -0.0002858900000000, 0.0018446700000000 ] - [ 0.0014634700000000, 0.0018417300000000, 0.0033153400000000 ] - [ 0.0018538500000000, -0.0016019600000000, 0.0031809100000000 ] - [ 0.0000765100000000, 0.0002477400000000, 0.0026662600000000 ] - [ 0.0000398600000000, -0.0001584200000000, 0.0035260800000000 ] - [ 0.0006850600000000, -0.0008487400000000, 0.0036580700000000 ] - [ 0.0006942600000000, 0.0008767800000000, 0.0045454800000000 ] - [ 0.0024557800000000, -0.0024611700000000, -0.0009018600000000 ] - [ 0.0038657500000000, -0.0006184300000000, -0.0000148000000000 ] - [ 0.0021927000000000, -0.0006545500000000, 0.0010440900000000 ] - [ 0.0021840300000000, -0.0013537600000000, 0.0006397900000000 ] - [ 0.0023047300000000, 0.0012528000000000, 0.0003521900000000 ] - [ 0.0023109500000000, 0.0011515200000000, 0.0005329900000000 ] - [ 0.0020554300000000, 0.0004157300000000, 0.0010484200000000 ] - [ 0.0024142000000000, 0.0018377800000000, 0.0006691300000000 ] - [ 0.0047359000000000, 0.0002003100000000, -0.0005293600000000 ] - [ 0.0036909200000000, 0.0036263100000000, -0.0013904800000000 ] - [ 0.0014389700000000, 0.0017031400000000, 0.0027179100000000 ] - [ 0.0003088700000000, -0.0015465100000000, 0.0016599500000000 ] - [ 0.0004876300000000, -0.0001915400000000, 0.0021941900000000 ] - [ 0.0004103800000000, 0.0001595500000000, 0.0001235500000000 ] - [ 0.0010696300000000, -0.0010481300000000, 0.0021458700000000 ] - [ -0.0002337300000000, 0.0009460600000000, 0.0006415700000000 ] - [ 0.0033113200000000, -0.0020036800000000, 0.0004750800000000 ] - [ 0.0015318100000000, -0.0005419800000000, 0.0004332300000000 ] - [ -0.0064795600000000, -0.0051713200000000, -0.0003407400000000 ] - [ -0.0001191100000000, 0.0007741200000000, 0.0002614100000000 ] - [ -0.0015969000000000, 0.0011490200000000, 0.0008895300000000 ] - [ -0.0034494100000000, 0.0017218500000000, -0.0007074200000000 ]- atom: 51 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0009045100000000, 0.0010159300000000, -0.0019087900000000 ] - [ 0.0046552500000000, -0.0009098400000000, -0.0056758200000000 ] - [ 0.0016067800000000, -0.0011994300000000, -0.0000597300000000 ] - [ 0.0021492500000000, 0.0010816800000000, 0.0003388000000000 ] - [ 0.0061287200000000, 0.0006365300000000, 0.0044563000000000 ] - [ 0.0008500300000000, -0.0001394000000000, 0.0009679000000000 ] - [ -0.0003699200000000, 0.0051426300000000, 0.0028212400000000 ] - [ -0.0099009600000000, -0.0070240900000000, 0.0025720700000000 ] - [ -0.0023344800000000, 0.0033754700000000, -0.0029042700000000 ] - [ -0.0039128300000000, -0.0031990700000000, -0.0230860900000000 ] - [ 0.0083792700000000, 0.0097228000000000, -0.0003315800000000 ] - [ 0.0133416100000000, -0.0148867000000000, -0.0042344900000000 ] - [ -0.0549366000000000, -0.0505520500000000, 0.0134383100000000 ] - [ -0.0097658500000000, 0.0080459000000000, -0.0019508500000000 ] - [ -0.0008242200000000, -0.0039074200000000, -0.0201968200000000 ] - [ -0.0007259100000000, 0.0049548000000000, -0.0032449200000000 ] - [ -0.0006557900000000, 0.0017332500000000, -0.0016869700000000 ] - [ -0.0004556100000000, -0.0016390900000000, 0.0155293700000000 ] - [ -0.0147628900000000, 0.0085695500000000, -0.0020678100000000 ] - [ -0.0133301700000000, 0.0032945500000000, -0.0139690300000000 ] - [ 0.0045743100000000, -0.0019597400000000, 0.0051242900000000 ] - [ 0.0047773900000000, 0.0024506800000000, 0.0050737200000000 ] - [ 0.0113145300000000, -0.0153294000000000, 0.0007622500000000 ] - [ 0.0105163900000000, 0.0140623800000000, 0.0013303700000000 ] - [ 0.0043916600000000, 0.0010861100000000, 0.0022446500000000 ] - [ 0.0060354800000000, -0.0005962800000000, 0.0040040400000000 ] - [ 0.0039021800000000, 0.0021166400000000, 0.0038272000000000 ] - [ 0.0039892600000000, -0.0014693900000000, 0.0047081200000000 ] - [ -0.0036030100000000, -0.0022947200000000, 0.0090517700000000 ] - [ -0.0020704900000000, 0.0013890300000000, -0.0001753900000000 ] - [ 0.0079298500000000, 0.0004625100000000, 0.0021945300000000 ] - [ 0.0058379400000000, 0.0004655900000000, 0.0016696900000000 ] - [ 0.0011884200000000, -0.0011643700000000, 0.0011336100000000 ] - [ -0.0056022400000000, -0.0098686300000000, 0.0328508800000000 ] - [ -0.0031762300000000, 0.0006115700000000, -0.0001039900000000 ] - [ -0.0032063100000000, 0.0028851500000000, -0.0008512600000000 ] - [ -0.0059488400000000, -0.0015754900000000, -0.0001315900000000 ] - [ -0.0034171100000000, -0.0029782900000000, -0.0011951200000000 ] - [ -0.0064046800000000, -0.0069296900000000, -0.0187156100000000 ] - [ 0.0011998300000000, -0.0002868000000000, 0.0009195500000000 ] - [ 0.0000721000000000, 0.0016174300000000, 0.0049839000000000 ] - [ -0.0008610600000000, -0.0019823000000000, 0.0026871200000000 ] - [ -0.0024741200000000, -0.0029346100000000, 0.0294089300000000 ] - [ 0.0001619700000000, -0.0006511300000000, 0.0020192000000000 ] - [ -0.0003786400000000, -0.0007311400000000, 0.0026034000000000 ] - [ -0.0006919700000000, 0.0006288000000000, 0.0081523800000000 ] - [ -0.0342018300000000, 0.0106564400000000, -0.0020740500000000 ] - [ 0.0022903300000000, -0.0033062600000000, 0.0001625800000000 ] - [ -0.0023123600000000, 0.0039267000000000, 0.0029597700000000 ] - [ 0.0027907300000000, -0.0028861800000000, 0.0001015300000000 ] - [ 0.1536747500000000, 0.1204554300000000, -0.0084555100000000 ] - [ -0.0001745300000000, -0.0044088600000000, 0.0007790700000000 ] - [ -0.0004152900000000, -0.0013953800000000, 0.0017271200000000 ] - [ -0.0014676200000000, -0.0019370700000000, 0.0032639400000000 ] - [ -0.0203352900000000, -0.0156628600000000, -0.0049736200000000 ] - [ 0.0032536100000000, 0.0047156300000000, 0.0002519100000000 ] - [ 0.0035097500000000, 0.0041535000000000, 0.0002385800000000 ] - [ -0.0009875800000000, -0.0016838500000000, 0.0006545500000000 ] - [ 0.0010149000000000, -0.0005231600000000, 0.0019036200000000 ] - [ -0.0025934000000000, -0.0052030300000000, -0.0244469900000000 ] - [ 0.0010438700000000, -0.0004541400000000, 0.0013581900000000 ] - [ 0.0008591000000000, -0.0013904100000000, -0.0002567400000000 ] - [ 0.0179166000000000, -0.0157836200000000, -0.0018632700000000 ] - [ 0.0154945000000000, -0.0131905700000000, 0.0018124200000000 ] - [ -0.0004096100000000, -0.0000356100000000, -0.0000453000000000 ] - [ -0.0032509900000000, -0.0033497700000000, -0.0011688100000000 ] - [ -0.0028244200000000, 0.0030678500000000, -0.0009824300000000 ] - [ -0.0000697800000000, -0.0006115000000000, 0.0001128600000000 ] - [ -0.0020091400000000, 0.0001713400000000, -0.0028072100000000 ] - [ -0.0017724100000000, -0.0003139700000000, -0.0025971300000000 ] - [ -0.0264009800000000, 0.0101517700000000, 0.0008657600000000 ] - [ 0.0042365500000000, -0.0051494600000000, -0.0000826300000000 ] - [ 0.0041596600000000, 0.0046798800000000, 0.0005120500000000 ] - [ -0.0293956100000000, -0.0259563000000000, 0.0050297800000000 ] - [ -0.0005817900000000, -0.0004496300000000, 0.0003092100000000 ] - [ -0.0010648800000000, 0.0002847000000000, -0.0022351900000000 ] - [ -0.0012627100000000, -0.0018305000000000, -0.0024945500000000 ] - [ -0.0016457100000000, 0.0015969400000000, -0.0023692400000000 ] - [ -0.0006090900000000, -0.0002464700000000, -0.0024479600000000 ] - [ -0.0005730100000000, 0.0001582700000000, -0.0033003500000000 ] - [ -0.0006758500000000, 0.0008398800000000, -0.0044743600000000 ] - [ -0.0006814600000000, -0.0008683800000000, -0.0053607700000000 ] - [ -0.0021639400000000, 0.0023521400000000, 0.0006780600000000 ] - [ -0.0035633400000000, 0.0005420300000000, -0.0001983500000000 ] - [ -0.0022571200000000, 0.0008545500000000, -0.0012924500000000 ] - [ -0.0022502600000000, 0.0015517100000000, -0.0008901400000000 ] - [ -0.0027060400000000, -0.0016241700000000, -0.0002130800000000 ] - [ -0.0027032500000000, -0.0015159800000000, -0.0003930200000000 ] - [ -0.0021216000000000, -0.0006191400000000, -0.0012970600000000 ] - [ -0.0024733900000000, -0.0020289200000000, -0.0009197000000000 ] - [ -0.0043981600000000, -0.0001143300000000, 0.0003073900000000 ] - [ -0.0034028300000000, -0.0035261200000000, 0.0011703100000000 ] - [ -0.0018550800000000, -0.0021328900000000, -0.0027256800000000 ] - [ -0.0007283900000000, 0.0010934100000000, -0.0016664000000000 ] - [ -0.0000691300000000, 0.0001901600000000, -0.0022850000000000 ] - [ 0.0000071600000000, -0.0001580400000000, -0.0002271700000000 ] - [ -0.0014852900000000, 0.0014806800000000, -0.0021545400000000 ] - [ -0.0001909500000000, -0.0005008500000000, -0.0006609300000000 ] - [ -0.0036980000000000, 0.0023665900000000, -0.0003364700000000 ] - [ -0.0019340700000000, 0.0009134600000000, -0.0002939800000000 ] - [ 0.0063370100000000, 0.0048742100000000, 0.0007181300000000 ] - [ 0.0000222100000000, -0.0010287600000000, 0.0001120400000000 ] - [ 0.0014929400000000, -0.0008775400000000, -0.0005053800000000 ] - [ 0.0033247400000000, -0.0014534700000000, 0.0010831400000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016110000000000, -0.0018116100000000, 0.0009323300000000 ] - [ -0.0037818900000000, 0.0021139400000000, 0.0031728700000000 ] - [ 0.0004504300000000, 0.0011227400000000, 0.0003550200000000 ] - [ -0.0006147600000000, -0.0010826600000000, -0.0001793000000000 ] - [ -0.0055172900000000, 0.0025813400000000, -0.0033901000000000 ] - [ 0.0009693800000000, -0.0016466900000000, -0.0006420500000000 ] - [ 0.0001971500000000, -0.0078176600000000, -0.0047371800000000 ] - [ 0.0108861400000000, 0.0077938600000000, 0.0056166500000000 ] - [ 0.0000072700000000, -0.0050873800000000, 0.0011255400000000 ] - [ 0.0000154900000000, 0.0047884600000000, 0.0174789400000000 ] - [ -0.0103896500000000, -0.0144558000000000, 0.0001930600000000 ] - [ -0.0018778000000000, 0.0089303600000000, 0.0019858300000000 ] - [ 0.0433385100000000, 0.0693752500000000, -0.0164847100000000 ] - [ 0.0146431000000000, -0.0244391800000000, 0.0008140600000000 ] - [ 0.0004337200000000, 0.0045486900000000, 0.0231134900000000 ] - [ 0.0010437600000000, -0.0056311500000000, -0.0005635600000000 ] - [ 0.0011232900000000, -0.0028244900000000, 0.0027998700000000 ] - [ 0.0006236700000000, 0.0030237300000000, -0.0138395700000000 ] - [ 0.0170518700000000, -0.0187221500000000, 0.0012450800000000 ] - [ -0.0000593700000000, 0.0051597600000000, 0.0090268100000000 ] - [ -0.0026910900000000, 0.0024488500000000, -0.0026408600000000 ] - [ -0.0030851000000000, -0.0029906200000000, -0.0038237300000000 ] - [ -0.0039060900000000, 0.0102794500000000, 0.0008194000000000 ] - [ -0.0075065600000000, -0.0125399900000000, -0.0006706100000000 ] - [ -0.0023006800000000, -0.0016339800000000, -0.0002016900000000 ] - [ -0.0032474600000000, 0.0011018700000000, -0.0009909500000000 ] - [ -0.0019232500000000, -0.0026596400000000, -0.0036617800000000 ] - [ -0.0001005200000000, 0.0026031400000000, -0.0010112600000000 ] - [ 0.0023092300000000, 0.0049725800000000, -0.0104193100000000 ] - [ 0.0003605600000000, -0.0048856100000000, 0.0018557300000000 ] - [ -0.0045974400000000, 0.0020503200000000, -0.0018234400000000 ] - [ -0.0034134400000000, -0.0024928400000000, -0.0008043300000000 ] - [ -0.0018611800000000, 0.0021251400000000, 0.0010116400000000 ] - [ 0.0088243000000000, 0.0051691900000000, -0.0270465200000000 ] - [ 0.0037747100000000, -0.0015854200000000, -0.0002248000000000 ] - [ 0.0001660300000000, -0.0006281300000000, 0.0002290300000000 ] - [ 0.0008676000000000, -0.0009369200000000, -0.0004107500000000 ] - [ 0.0039237200000000, 0.0047370700000000, 0.0013894100000000 ] - [ 0.0107321800000000, 0.0023099500000000, 0.0216008500000000 ] - [ -0.0016388200000000, 0.0025201900000000, -0.0023630100000000 ] - [ -0.0004322100000000, -0.0014674400000000, -0.0037757300000000 ] - [ 0.0010117900000000, 0.0017901600000000, -0.0007760600000000 ] - [ 0.0053054000000000, 0.0007692700000000, -0.0346278000000000 ] - [ -0.0009875400000000, 0.0012910300000000, 0.0022775900000000 ] - [ 0.0005945500000000, 0.0010767400000000, -0.0033798300000000 ] - [ 0.0004046500000000, -0.0006723800000000, -0.0055442400000000 ] - [ 0.0098232800000000, -0.0140946400000000, 0.0016298200000000 ] - [ -0.0039862200000000, 0.0071553900000000, -0.0005651200000000 ] - [ 0.0038516300000000, -0.0054228300000000, -0.0027819300000000 ] - [ -0.0030826200000000, 0.0038460800000000, 0.0001547700000000 ] - [ -0.1188943600000000, -0.1729722000000000, 0.0107708300000000 ] - [ 0.0040418500000000, 0.0119457900000000, -0.0008825200000000 ] - [ 0.0012554700000000, 0.0023506900000000, -0.0020416000000000 ] - [ 0.0018648300000000, 0.0017294800000000, -0.0026277700000000 ] - [ 0.0271783100000000, 0.0254653800000000, 0.0063687300000000 ] - [ -0.0048863700000000, -0.0023959300000000, 0.0002575000000000 ] - [ -0.0041913900000000, -0.0052080400000000, -0.0007531000000000 ] - [ 0.0008966600000000, 0.0017865900000000, -0.0004123800000000 ] - [ -0.0006734700000000, 0.0012198300000000, -0.0032950600000000 ] - [ 0.0048512100000000, 0.0020230000000000, 0.0218628600000000 ] - [ -0.0017533300000000, 0.0013531200000000, -0.0015489300000000 ] - [ -0.0008058200000000, 0.0012285800000000, 0.0006517800000000 ] - [ -0.0161829500000000, 0.0346050800000000, 0.0027869500000000 ] - [ -0.0136370100000000, 0.0467054600000000, -0.0004483900000000 ] - [ -0.0002945400000000, -0.0005017000000000, 0.0001745000000000 ] - [ 0.0023163000000000, 0.0024211700000000, 0.0012638400000000 ] - [ 0.0021241400000000, -0.0026484900000000, 0.0010469800000000 ] - [ -0.0007577500000000, 0.0015412700000000, 0.0000624200000000 ] - [ 0.0005596600000000, -0.0004076700000000, 0.0019468500000000 ] - [ 0.0003210800000000, 0.0005191400000000, 0.0020180400000000 ] - [ 0.0126512500000000, -0.0113125400000000, -0.0007266500000000 ] - [ -0.0050144300000000, 0.0060468700000000, 0.0000898800000000 ] - [ -0.0045736600000000, -0.0026392500000000, -0.0005500500000000 ] - [ 0.0221479600000000, 0.0240897200000000, -0.0043043200000000 ] - [ 0.0001012700000000, 0.0006331600000000, -0.0009585800000000 ] - [ 0.0005159100000000, -0.0005579300000000, 0.0014191800000000 ] - [ 0.0017420700000000, 0.0025170000000000, 0.0041165300000000 ] - [ -0.0009645400000000, -0.0015834500000000, 0.0012487800000000 ] - [ -0.0000750800000000, 0.0003352000000000, 0.0019818900000000 ] - [ -0.0001221000000000, -0.0002712200000000, 0.0013151700000000 ] - [ 0.0002003800000000, -0.0006991100000000, 0.0011319300000000 ] - [ 0.0004762300000000, 0.0008813400000000, 0.0031215300000000 ] - [ 0.0009897100000000, -0.0011199500000000, -0.0006573300000000 ] - [ 0.0025252700000000, -0.0003423300000000, -0.0000746400000000 ] - [ 0.0014441300000000, -0.0004234700000000, 0.0006886700000000 ] - [ 0.0006834400000000, -0.0003928200000000, 0.0001927700000000 ] - [ 0.0011300700000000, 0.0006318100000000, 0.0001513900000000 ] - [ 0.0012314600000000, 0.0006234600000000, 0.0003741100000000 ] - [ 0.0004776900000000, -0.0009180600000000, 0.0006345000000000 ] - [ 0.0019143700000000, 0.0019219000000000, 0.0004549100000000 ] - [ 0.0020415900000000, -0.0006879200000000, -0.0002960300000000 ] - [ 0.0026711100000000, 0.0033556600000000, -0.0012028600000000 ] - [ 0.0012111500000000, 0.0011357300000000, 0.0028559300000000 ] - [ -0.0014677900000000, 0.0011495000000000, -0.0015767800000000 ] - [ 0.0003863100000000, -0.0004546900000000, 0.0023028500000000 ] - [ 0.0003894700000000, 0.0004130000000000, -0.0010596100000000 ] - [ 0.0007341800000000, -0.0031543000000000, 0.0007205100000000 ] - [ -0.0008079100000000, 0.0023588500000000, 0.0006069000000000 ] - [ 0.0019811000000000, -0.0014567900000000, 0.0002340500000000 ] - [ 0.0005242400000000, 0.0002703300000000, 0.0002656600000000 ] - [ -0.0049639400000000, -0.0062945400000000, -0.0011271200000000 ] - [ 0.0013283100000000, 0.0025370700000000, 0.0004075200000000 ] - [ -0.0006763900000000, 0.0004696800000000, 0.0013586400000000 ] - [ -0.0015087900000000, 0.0020221700000000, -0.0017884100000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013089100000000, 0.0018043400000000, -0.0012255300000000 ] - [ 0.0041030400000000, -0.0021003000000000, -0.0035014000000000 ] - [ 0.0005835900000000, -0.0011132400000000, -0.0002309400000000 ] - [ 0.0016621600000000, 0.0010771100000000, 0.0002997100000000 ] - [ 0.0057752100000000, -0.0026003000000000, 0.0030883800000000 ] - [ -0.0006602700000000, 0.0016657500000000, 0.0003412000000000 ] - [ 0.0008584500000000, 0.0077897300000000, 0.0049185100000000 ] - [ -0.0100217900000000, -0.0075138600000000, -0.0057917600000000 ] - [ -0.0003675400000000, 0.0050738600000000, -0.0014720100000000 ] - [ -0.0003657500000000, -0.0047628200000000, -0.0177867700000000 ] - [ 0.0111140100000000, 0.0144578900000000, 0.0001401700000000 ] - [ 0.0024763000000000, -0.0088211700000000, -0.0016600900000000 ] - [ -0.0475767600000000, -0.0734274700000000, 0.0186800500000000 ] - [ -0.0143728700000000, 0.0243484300000000, 0.0004817500000000 ] - [ 0.0004883100000000, -0.0045712200000000, -0.0230790700000000 ] - [ -0.0001136800000000, 0.0056421000000000, 0.0005709600000000 ] - [ -0.0012307400000000, 0.0028138100000000, -0.0030355800000000 ] - [ -0.0007156700000000, -0.0030001800000000, 0.0136342900000000 ] - [ -0.0172252800000000, 0.0187524900000000, -0.0016099300000000 ] - [ 0.0019448600000000, -0.0041300600000000, -0.0091533900000000 ] - [ 0.0023016500000000, -0.0024568500000000, 0.0022956700000000 ] - [ 0.0026901700000000, 0.0029986100000000, 0.0034558800000000 ] - [ 0.0045830000000000, -0.0103299400000000, -0.0005116100000000 ] - [ 0.0081168200000000, 0.0125302000000000, 0.0009815400000000 ] - [ 0.0024737500000000, 0.0016228000000000, 0.0014896700000000 ] - [ 0.0034158800000000, -0.0010872800000000, 0.0022728100000000 ] - [ 0.0028398500000000, 0.0026444800000000, 0.0036912300000000 ] - [ 0.0009994000000000, -0.0025917400000000, 0.0010092700000000 ] - [ -0.0024033000000000, -0.0049956100000000, 0.0101495400000000 ] - [ -0.0004487800000000, 0.0049095900000000, -0.0020657400000000 ] - [ 0.0045761700000000, -0.0020870800000000, 0.0014432400000000 ] - [ 0.0034123600000000, 0.0025172400000000, 0.0004217300000000 ] - [ 0.0009539800000000, -0.0021221600000000, -0.0006391300000000 ] - [ -0.0097091000000000, -0.0052153400000000, 0.0272786500000000 ] - [ -0.0038729400000000, 0.0014183200000000, -0.0000585100000000 ] - [ -0.0002311400000000, 0.0004102900000000, -0.0005031200000000 ] - [ -0.0009090200000000, 0.0011512500000000, 0.0001335900000000 ] - [ -0.0040237500000000, -0.0045621600000000, -0.0016736200000000 ] - [ -0.0107972200000000, -0.0021955300000000, -0.0220561200000000 ] - [ 0.0015073900000000, -0.0025365400000000, 0.0019397600000000 ] - [ 0.0006206100000000, 0.0014738600000000, 0.0045819500000000 ] - [ -0.0008178700000000, -0.0017917900000000, 0.0015652600000000 ] - [ -0.0058045100000000, -0.0006654900000000, 0.0349745500000000 ] - [ 0.0004478400000000, -0.0012946400000000, -0.0020453300000000 ] - [ -0.0005910100000000, -0.0010738000000000, 0.0025540900000000 ] - [ -0.0003912100000000, 0.0006678900000000, 0.0046601600000000 ] - [ -0.0093411700000000, 0.0140519200000000, -0.0018420200000000 ] - [ 0.0042270600000000, -0.0072041500000000, 0.0003370700000000 ] - [ -0.0039498300000000, 0.0056399300000000, 0.0025215200000000 ] - [ 0.0029971800000000, -0.0036360200000000, -0.0004148600000000 ] - [ 0.1210214400000000, 0.1749767300000000, -0.0113380000000000 ] - [ -0.0044345900000000, -0.0123222200000000, 0.0010107200000000 ] - [ -0.0013420600000000, -0.0025584400000000, 0.0017780700000000 ] - [ -0.0019544500000000, -0.0019437400000000, 0.0023636100000000 ] - [ -0.0270978700000000, -0.0256051000000000, -0.0066748900000000 ] - [ 0.0051092200000000, 0.0024096200000000, -0.0004689000000000 ] - [ 0.0037575500000000, 0.0047622100000000, 0.0007096100000000 ] - [ -0.0013281500000000, -0.0022352900000000, 0.0003916500000000 ] - [ 0.0010970200000000, -0.0012142900000000, 0.0031929900000000 ] - [ -0.0044337000000000, -0.0020771400000000, -0.0218928100000000 ] - [ 0.0013182000000000, -0.0008986300000000, 0.0015257600000000 ] - [ 0.0003772000000000, -0.0007870200000000, -0.0006766700000000 ] - [ 0.0159496600000000, -0.0346310500000000, -0.0026894700000000 ] - [ 0.0130873200000000, -0.0456053700000000, 0.0005726700000000 ] - [ 0.0002152900000000, 0.0002596200000000, 0.0001985300000000 ] - [ -0.0024090100000000, -0.0026787600000000, -0.0008960200000000 ] - [ -0.0022149100000000, 0.0029014100000000, -0.0006764000000000 ] - [ 0.0006709000000000, -0.0012889800000000, 0.0003148700000000 ] - [ -0.0014668200000000, 0.0004103000000000, -0.0015383400000000 ] - [ -0.0012285100000000, -0.0005205300000000, -0.0016055400000000 ] - [ -0.0127850300000000, 0.0110390100000000, 0.0004458800000000 ] - [ 0.0049669900000000, -0.0062537500000000, -0.0003754600000000 ] - [ 0.0045349600000000, 0.0028911400000000, 0.0002731100000000 ] - [ -0.0221525000000000, -0.0237145800000000, 0.0039661300000000 ] - [ -0.0002216200000000, -0.0006300900000000, 0.0005625600000000 ] - [ -0.0006355700000000, 0.0005543600000000, -0.0018113300000000 ] - [ -0.0015544100000000, -0.0025102600000000, -0.0033498100000000 ] - [ 0.0011711600000000, 0.0015746500000000, -0.0004401400000000 ] - [ -0.0004584700000000, -0.0003331900000000, -0.0017757100000000 ] - [ -0.0004127700000000, 0.0002697800000000, -0.0011131200000000 ] - [ -0.0001962000000000, 0.0007029500000000, -0.0019884700000000 ] - [ -0.0004686700000000, -0.0008804200000000, -0.0039562500000000 ] - [ -0.0007243500000000, 0.0010491100000000, 0.0004422300000000 ] - [ -0.0022457500000000, 0.0002511500000000, -0.0001439300000000 ] - [ -0.0015239400000000, 0.0006365000000000, -0.0009447800000000 ] - [ -0.0007581000000000, 0.0005897600000000, -0.0004477500000000 ] - [ -0.0015355300000000, -0.0009983600000000, -0.0000129800000000 ] - [ -0.0016486800000000, -0.0010084300000000, -0.0002343700000000 ] - [ -0.0005567100000000, 0.0007124200000000, -0.0008896500000000 ] - [ -0.0019884100000000, -0.0021219000000000, -0.0007127300000000 ] - [ -0.0017794900000000, 0.0007690600000000, 0.0000847900000000 ] - [ -0.0023966700000000, -0.0032683100000000, 0.0009857200000000 ] - [ -0.0016336300000000, -0.0015657100000000, -0.0028654300000000 ] - [ 0.0010370300000000, -0.0016159000000000, 0.0015692500000000 ] - [ 0.0000315600000000, 0.0004588200000000, -0.0024247700000000 ] - [ 0.0000271600000000, -0.0004144000000000, 0.0009362800000000 ] - [ -0.0011596300000000, 0.0036036700000000, -0.0007280700000000 ] - [ 0.0003732500000000, -0.0019113300000000, -0.0006331400000000 ] - [ -0.0023901700000000, 0.0018351300000000, -0.0000963500000000 ] - [ -0.0009328000000000, 0.0001031900000000, -0.0001275500000000 ] - [ 0.0048533100000000, 0.0060237200000000, 0.0015082400000000 ] - [ -0.0014290100000000, -0.0028007400000000, -0.0000412400000000 ] - [ 0.0005672900000000, -0.0001912900000000, -0.0009824300000000 ] - [ 0.0014127300000000, -0.0017742500000000, 0.0021641300000000 ]- atom: 51 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0004762400000000, 0.0009466300000000, -0.0012054600000000 ] - [ 0.0043563900000000, -0.0010100400000000, -0.0030273700000000 ] - [ 0.0006009900000000, -0.0004292100000000, -0.0006393900000000 ] - [ 0.0014003400000000, 0.0004375000000000, -0.0000353900000000 ] - [ 0.0018596100000000, -0.0002095600000000, 0.0035685700000000 ] - [ -0.0000568000000000, 0.0005395300000000, 0.0008181500000000 ] - [ 0.0003666900000000, 0.0022129800000000, 0.0030233100000000 ] - [ -0.0091040000000000, -0.0011572100000000, 0.0020843700000000 ] - [ 0.0010812600000000, 0.0026035800000000, -0.0018098000000000 ] - [ 0.0013188400000000, -0.0017688700000000, -0.0212914300000000 ] - [ 0.0068591300000000, 0.0076525800000000, 0.0005209000000000 ] - [ 0.0079533900000000, -0.0093832900000000, -0.0025017600000000 ] - [ -0.0364078300000000, -0.0370710800000000, 0.0228267800000000 ] - [ -0.0046504600000000, 0.0054914300000000, 0.0002242300000000 ] - [ 0.0022224400000000, -0.0022734900000000, -0.0193317100000000 ] - [ 0.0018951500000000, 0.0039845000000000, -0.0019201000000000 ] - [ -0.0008518000000000, 0.0017213500000000, -0.0013851800000000 ] - [ -0.0010236100000000, -0.0019055600000000, 0.0030794800000000 ] - [ -0.0090343300000000, 0.0063267600000000, -0.0005809800000000 ] - [ -0.0030159900000000, 0.0031613700000000, 0.0024328300000000 ] - [ 0.0005956400000000, -0.0008558600000000, 0.0021250800000000 ] - [ 0.0007470100000000, 0.0009124800000000, 0.0023314600000000 ] - [ 0.0061058500000000, -0.0088690500000000, 0.0001431100000000 ] - [ 0.0052251300000000, 0.0074126600000000, 0.0013675300000000 ] - [ 0.0018819600000000, 0.0004588900000000, 0.0008633000000000 ] - [ 0.0029010600000000, -0.0002880700000000, 0.0013289200000000 ] - [ 0.0009481700000000, 0.0004851100000000, 0.0020667500000000 ] - [ 0.0002309500000000, -0.0008181900000000, 0.0013566400000000 ] - [ -0.0024254500000000, -0.0036563100000000, 0.0007440600000000 ] - [ -0.0010112600000000, 0.0031193900000000, -0.0009188100000000 ] - [ 0.0041909400000000, -0.0003540100000000, -0.0002056200000000 ] - [ 0.0030496000000000, 0.0009074400000000, -0.0001483400000000 ] - [ 0.0001976300000000, -0.0007974900000000, 0.0002074200000000 ] - [ -0.0135118900000000, -0.0137887300000000, 0.0289330800000000 ] - [ -0.0024497600000000, 0.0007688100000000, -0.0001853300000000 ] - [ -0.0013293900000000, 0.0011921400000000, -0.0005581900000000 ] - [ -0.0030497000000000, -0.0004101900000000, -0.0001338800000000 ] - [ -0.0026498000000000, -0.0025367700000000, -0.0010692700000000 ] - [ 0.0046620400000000, 0.0043379200000000, -0.0062352600000000 ] - [ 0.0005671900000000, -0.0012537000000000, -0.0001707800000000 ] - [ 0.0000330300000000, 0.0008945700000000, 0.0039667500000000 ] - [ -0.0007286600000000, -0.0012590300000000, 0.0013650900000000 ] - [ -0.0071623100000000, -0.0070437500000000, 0.0259170700000000 ] - [ -0.0001789500000000, -0.0004258000000000, 0.0011945100000000 ] - [ -0.0004291100000000, -0.0005241200000000, 0.0017001300000000 ] - [ -0.0008916800000000, 0.0002989900000000, 0.0062999000000000 ] - [ -0.0208270700000000, 0.0078965400000000, -0.0046808600000000 ] - [ 0.0017064800000000, -0.0027163500000000, -0.0003034000000000 ] - [ -0.0039489100000000, 0.0045384200000000, 0.0022910400000000 ] - [ 0.0014161500000000, -0.0018766500000000, -0.0000867300000000 ] - [ 0.0949965200000000, 0.0782701900000000, -0.0404643700000000 ] - [ -0.0007719500000000, -0.0033925500000000, 0.0004176300000000 ] - [ -0.0018789000000000, -0.0025124600000000, 0.0017114900000000 ] - [ -0.0036501300000000, -0.0031658500000000, 0.0030419300000000 ] - [ -0.0176498800000000, -0.0142708500000000, -0.0028750200000000 ] - [ 0.0021619500000000, 0.0020762000000000, -0.0008087700000000 ] - [ 0.0017768600000000, 0.0022622100000000, 0.0017716500000000 ] - [ -0.0011225800000000, -0.0014723900000000, 0.0003703200000000 ] - [ 0.0007181800000000, -0.0005057200000000, 0.0011447900000000 ] - [ 0.0031319900000000, 0.0013412600000000, -0.0074278400000000 ] - [ 0.0009212900000000, -0.0007429300000000, 0.0011162200000000 ] - [ -0.0004430400000000, 0.0001467600000000, 0.0001456300000000 ] - [ 0.0117797200000000, -0.0112537400000000, -0.0039116500000000 ] - [ 0.0074043600000000, -0.0071103800000000, -0.0025573300000000 ] - [ 0.0001452900000000, 0.0000182100000000, 0.0001227600000000 ] - [ -0.0006405500000000, -0.0006101700000000, -0.0000205000000000 ] - [ -0.0005841700000000, 0.0009718300000000, -0.0001731800000000 ] - [ 0.0002315200000000, -0.0004524800000000, 0.0002277000000000 ] - [ -0.0009619500000000, 0.0001247700000000, -0.0009429600000000 ] - [ -0.0009372800000000, -0.0001927400000000, -0.0009437900000000 ] - [ -0.0151222800000000, 0.0058382700000000, -0.0015074300000000 ] - [ 0.0025282400000000, -0.0030596100000000, -0.0002434000000000 ] - [ 0.0025890100000000, 0.0026597400000000, 0.0001348000000000 ] - [ -0.0140667000000000, -0.0118343300000000, 0.0040236000000000 ] - [ -0.0001775800000000, -0.0003259300000000, 0.0003205900000000 ] - [ -0.0006142900000000, 0.0002934700000000, -0.0004941000000000 ] - [ -0.0005753600000000, -0.0010061700000000, -0.0019775900000000 ] - [ 0.0006555400000000, 0.0010634300000000, -0.0012806300000000 ] - [ -0.0003473200000000, -0.0000858300000000, -0.0007233000000000 ] - [ -0.0003547100000000, 0.0001005800000000, -0.0006800100000000 ] - [ -0.0001535600000000, 0.0004653800000000, -0.0023476500000000 ] - [ -0.0002642700000000, -0.0004775500000000, -0.0029879100000000 ] - [ -0.0009490100000000, 0.0011990500000000, 0.0004569600000000 ] - [ -0.0016158400000000, 0.0001174500000000, -0.0001563700000000 ] - [ -0.0006900800000000, 0.0002728000000000, -0.0007120000000000 ] - [ -0.0003521500000000, 0.0002838700000000, -0.0004862200000000 ] - [ -0.0012712400000000, -0.0007681300000000, 0.0000686200000000 ] - [ -0.0014173700000000, -0.0008871700000000, -0.0000362200000000 ] - [ -0.0002717900000000, 0.0002105100000000, -0.0006364400000000 ] - [ -0.0007973300000000, -0.0007489500000000, -0.0005284300000000 ] - [ -0.0022147200000000, 0.0001422000000000, 0.0003054300000000 ] - [ -0.0013021800000000, -0.0015081400000000, 0.0005179900000000 ] - [ 0.0003122700000000, 0.0004271700000000, -0.0006274500000000 ] - [ 0.0006976500000000, -0.0009811600000000, 0.0006942900000000 ] - [ 0.0000474500000000, 0.0002536300000000, 0.0004461500000000 ] - [ 0.0000669700000000, -0.0002441100000000, 0.0009216100000000 ] - [ 0.0001104200000000, 0.0012058400000000, -0.0003858700000000 ] - [ 0.0001774000000000, -0.0007053000000000, -0.0005072900000000 ] - [ -0.0018888400000000, 0.0013100100000000, 0.0000400800000000 ] - [ -0.0009074200000000, 0.0004466900000000, -0.0000079300000000 ] - [ 0.0035720100000000, 0.0037676200000000, 0.0024014000000000 ] - [ -0.0007847600000000, -0.0014845500000000, 0.0001232000000000 ] - [ -0.0003143900000000, 0.0007493400000000, -0.0000715900000000 ] - [ 0.0019109500000000, -0.0018385100000000, 0.0016430200000000 ]- atom: 51 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0007786400000000, -0.0009346100000000, 0.0008996100000000 ] - [ -0.0040639900000000, 0.0009951300000000, 0.0026922300000000 ] - [ 0.0004294900000000, 0.0004394100000000, 0.0007686000000000 ] - [ -0.0003453700000000, -0.0004467200000000, 0.0001562200000000 ] - [ -0.0015944500000000, 0.0002167000000000, -0.0038680000000000 ] - [ 0.0003567000000000, -0.0005403700000000, -0.0011251200000000 ] - [ 0.0006796100000000, -0.0022339300000000, -0.0029015200000000 ] - [ 0.0101373300000000, 0.0012213900000000, -0.0020408600000000 ] - [ -0.0014334800000000, -0.0025895500000000, 0.0014592000000000 ] - [ -0.0016868700000000, 0.0017479300000000, 0.0211138000000000 ] - [ -0.0062189000000000, -0.0076689600000000, -0.0001860300000000 ] - [ -0.0073128000000000, 0.0093924400000000, 0.0028527400000000 ] - [ 0.0358122600000000, 0.0356606100000000, -0.0218874000000000 ] - [ 0.0048106800000000, -0.0054772200000000, 0.0010844400000000 ] - [ -0.0013106000000000, 0.0022815600000000, 0.0192879100000000 ] - [ -0.0010019700000000, -0.0040162000000000, 0.0019517500000000 ] - [ 0.0007422200000000, -0.0017131000000000, 0.0011754300000000 ] - [ 0.0009185000000000, 0.0019049800000000, -0.0032488500000000 ] - [ 0.0090645800000000, -0.0063396100000000, 0.0002076100000000 ] - [ 0.0031207900000000, -0.0028817100000000, -0.0024664900000000 ] - [ -0.0009738600000000, 0.0008546300000000, -0.0024785200000000 ] - [ -0.0011267400000000, -0.0009106700000000, -0.0026778500000000 ] - [ -0.0054684900000000, 0.0089098800000000, 0.0001576500000000 ] - [ -0.0045385700000000, -0.0073896300000000, -0.0010616400000000 ] - [ -0.0016906400000000, -0.0004493500000000, 0.0004290900000000 ] - [ -0.0027222900000000, 0.0002761100000000, -0.0000382500000000 ] - [ -0.0000221800000000, -0.0004818400000000, -0.0020578500000000 ] - [ 0.0006805600000000, 0.0008168700000000, -0.0013476700000000 ] - [ 0.0023609400000000, 0.0036834900000000, -0.0009857700000000 ] - [ 0.0009364400000000, -0.0031317900000000, 0.0006949500000000 ] - [ -0.0042018600000000, 0.0003515200000000, -0.0001618000000000 ] - [ -0.0030555200000000, -0.0009086500000000, -0.0002205800000000 ] - [ -0.0011120100000000, 0.0007977600000000, 0.0002068700000000 ] - [ 0.0128087100000000, 0.0140550200000000, -0.0289176100000000 ] - [ 0.0023763500000000, -0.0009738300000000, -0.0000957600000000 ] - [ 0.0012517900000000, -0.0013947400000000, 0.0002757600000000 ] - [ 0.0029749700000000, 0.0006115700000000, -0.0001463600000000 ] - [ 0.0025741100000000, 0.0027429400000000, 0.0007891100000000 ] - [ -0.0047445300000000, -0.0042955000000000, 0.0059022500000000 ] - [ -0.0006803600000000, 0.0012544900000000, -0.0002261300000000 ] - [ 0.0001527600000000, -0.0008978200000000, -0.0031503500000000 ] - [ 0.0009112000000000, 0.0012606500000000, -0.0005531900000000 ] - [ 0.0065318700000000, 0.0069065000000000, -0.0255254000000000 ] - [ -0.0003540700000000, 0.0004269100000000, -0.0010274300000000 ] - [ 0.0004381900000000, 0.0005253700000000, -0.0025699100000000 ] - [ 0.0009098500000000, -0.0002923000000000, -0.0072181800000000 ] - [ 0.0210347600000000, -0.0079615300000000, 0.0044252600000000 ] - [ -0.0014430700000000, 0.0026440600000000, 0.0000962000000000 ] - [ 0.0038658500000000, -0.0043326800000000, -0.0025485100000000 ] - [ -0.0015065100000000, 0.0020897300000000, -0.0001693400000000 ] - [ -0.0948691200000000, -0.0776286000000000, 0.0408664700000000 ] - [ 0.0003552200000000, 0.0030236000000000, -0.0002814400000000 ] - [ 0.0017661900000000, 0.0022761200000000, -0.0019614400000000 ] - [ 0.0036176600000000, 0.0030018900000000, -0.0033298500000000 ] - [ 0.0178820100000000, 0.0143473200000000, 0.0026888600000000 ] - [ -0.0018891600000000, -0.0020034600000000, 0.0006028400000000 ] - [ -0.0021889700000000, -0.0026876300000000, -0.0018262800000000 ] - [ 0.0006999300000000, 0.0010339800000000, -0.0004006800000000 ] - [ -0.0003029700000000, 0.0005066500000000, -0.0012810100000000 ] - [ -0.0027335300000000, -0.0013653500000000, 0.0072622800000000 ] - [ -0.0013384200000000, 0.0011755800000000, -0.0011482300000000 ] - [ 0.0000231700000000, 0.0002890500000000, -0.0001792800000000 ] - [ -0.0121384900000000, 0.0116915500000000, 0.0040388300000000 ] - [ -0.0078215300000000, 0.0074119200000000, 0.0026925300000000 ] - [ -0.0002322500000000, -0.0002777300000000, 0.0002491800000000 ] - [ 0.0005479200000000, 0.0003433300000000, 0.0003894600000000 ] - [ 0.0004888900000000, -0.0007027800000000, 0.0005454200000000 ] - [ -0.0003203800000000, 0.0007121000000000, 0.0001467200000000 ] - [ 0.0000539600000000, -0.0001247700000000, 0.0013463600000000 ] - [ 0.0000285600000000, 0.0001925600000000, 0.0013466800000000 ] - [ 0.0151694400000000, -0.0060825600000000, 0.0012667900000000 ] - [ -0.0026052000000000, 0.0028517300000000, -0.0000379400000000 ] - [ -0.0026874100000000, -0.0024656400000000, -0.0004112200000000 ] - [ 0.0139345700000000, 0.0119603200000000, -0.0043548300000000 ] - [ 0.0000653800000000, 0.0003229200000000, -0.0007183300000000 ] - [ 0.0005051800000000, -0.0002915000000000, 0.0000879800000000 ] - [ 0.0007660800000000, 0.0010149800000000, 0.0027890100000000 ] - [ -0.0004681600000000, -0.0010659000000000, 0.0020840700000000 ] - [ -0.0001884400000000, 0.0000856800000000, 0.0009211000000000 ] - [ -0.0001808100000000, -0.0000999600000000, 0.0008738400000000 ] - [ 0.0001609500000000, -0.0004670600000000, 0.0014976100000000 ] - [ 0.0002719300000000, 0.0004774600000000, 0.0021237200000000 ] - [ 0.0012167700000000, -0.0012796000000000, -0.0006638100000000 ] - [ 0.0018736900000000, -0.0001858900000000, -0.0000498100000000 ] - [ 0.0006069500000000, -0.0000640300000000, 0.0004575700000000 ] - [ 0.0002651100000000, -0.0000729500000000, 0.0002324500000000 ] - [ 0.0008545900000000, 0.0003873200000000, 0.0000694400000000 ] - [ 0.0010031700000000, 0.0005103900000000, 0.0001719600000000 ] - [ 0.0001863400000000, -0.0004204600000000, 0.0003817800000000 ] - [ 0.0007141800000000, 0.0005391400000000, 0.0002750500000000 ] - [ 0.0024948800000000, -0.0000621900000000, -0.0005154900000000 ] - [ 0.0015495600000000, 0.0015665100000000, -0.0007169500000000 ] - [ -0.0007453600000000, -0.0008720200000000, 0.0006061100000000 ] - [ -0.0011285000000000, 0.0005342400000000, -0.0007156700000000 ] - [ 0.0003671500000000, -0.0002553900000000, -0.0005729100000000 ] - [ 0.0003469700000000, 0.0002455200000000, -0.0010459100000000 ] - [ -0.0005422400000000, -0.0007648900000000, 0.0003629800000000 ] - [ -0.0006114700000000, 0.0011498000000000, 0.0004805800000000 ] - [ 0.0014774400000000, -0.0009311400000000, 0.0000955200000000 ] - [ 0.0004932800000000, -0.0000697200000000, 0.0001447900000000 ] - [ -0.0037097500000000, -0.0040685900000000, -0.0020425900000000 ] - [ 0.0006850400000000, 0.0012193300000000, 0.0002512100000000 ] - [ 0.0002140700000000, -0.0004856300000000, 0.0004501100000000 ] - [ -0.0020340700000000, 0.0021191100000000, -0.0012698800000000 ]- atom: 57 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ 0.0032420000000000, -0.0046617300000000, 0.0026203600000000 ] - [ 0.0091474700000000, 0.0091737100000000, 0.0075431700000000 ] - [ 0.0124447300000000, 0.0052851100000000, -0.0032826200000000 ] - [ 0.0029142900000000, -0.0039461600000000, -0.0021573600000000 ] - [ -0.0022882300000000, 0.0002448400000000, -0.0017038900000000 ] - [ -0.0015863500000000, -0.0000964400000000, -0.0011948600000000 ] - [ -0.0009896100000000, -0.0006298700000000, -0.0001234000000000 ] - [ -0.0006650600000000, 0.0007173300000000, 0.0003181400000000 ] - [ -0.0107312800000000, -0.0101218100000000, -0.0006869500000000 ] - [ -0.0146843500000000, 0.0132249800000000, 0.0007110700000000 ] - [ -0.0029111500000000, -0.0014545100000000, -0.0035810100000000 ] - [ -0.0025642800000000, 0.0011413800000000, -0.0040249500000000 ] - [ 0.0018107600000000, 0.0017485200000000, -0.0127592200000000 ] - [ 0.0003045100000000, -0.0013336900000000, 0.0007664000000000 ] - [ 0.0180436400000000, -0.0105917300000000, 0.0131926900000000 ] - [ 0.0096699800000000, -0.0033859400000000, 0.0004679000000000 ] - [ 0.0101318700000000, -0.0026992100000000, 0.0019477500000000 ] - [ 0.0347166500000000, 0.0182069500000000, -0.0169239600000000 ] - [ 0.0014194700000000, -0.0028935100000000, 0.0043067600000000 ] - [ 0.0013219300000000, 0.0020859700000000, 0.0195068400000000 ] - [ -0.0159889700000000, 0.0155006500000000, 0.0017925200000000 ] - [ -0.0110188900000000, -0.0105652600000000, -0.0002001300000000 ] - [ 0.0021767000000000, 0.0024872500000000, 0.0152015600000000 ] - [ 0.0021082400000000, -0.0019594300000000, 0.0039571000000000 ] - [ 0.0019013400000000, -0.0004117900000000, 0.0011233600000000 ] - [ 0.0021178700000000, 0.0012197800000000, -0.0084572000000000 ] - [ -0.0041919900000000, -0.0000654600000000, -0.0009078300000000 ] - [ -0.0050928700000000, -0.0009081400000000, -0.0020693800000000 ] - [ -0.0056670200000000, -0.0004644200000000, -0.0026236400000000 ] - [ -0.0047082400000000, -0.0003095800000000, -0.0015883400000000 ] - [ -0.0037419400000000, 0.0008712000000000, -0.0051654800000000 ] - [ -0.0036137000000000, -0.0014237700000000, -0.0052007700000000 ] - [ 0.0005814900000000, 0.0013572700000000, -0.0031675800000000 ] - [ 0.0002376900000000, -0.0011289500000000, -0.0061722300000000 ] - [ 0.0019320000000000, -0.0014968400000000, 0.0005601900000000 ] - [ 0.0016830300000000, -0.0014035800000000, 0.0005517500000000 ] - [ 0.0017354500000000, 0.0012038300000000, 0.0005248400000000 ] - [ 0.0020701700000000, 0.0019124800000000, 0.0007337200000000 ] - [ 0.0009674300000000, -0.0001290900000000, 0.0018144300000000 ] - [ 0.0005116200000000, 0.0001721000000000, -0.0002702300000000 ] - [ 0.0021479800000000, 0.0130398700000000, -0.0252602700000000 ] - [ -0.0014580600000000, 0.0003627500000000, -0.0002731400000000 ] - [ 0.0001671000000000, 0.0040237900000000, 0.0206288300000000 ] - [ -0.0007929400000000, 0.0002371600000000, -0.0000409900000000 ] - [ 0.0006932400000000, 0.0007025900000000, 0.0034885500000000 ] - [ 0.0008051600000000, -0.0007099100000000, 0.0033098500000000 ] - [ 0.0017137500000000, -0.0012456800000000, 0.0010075500000000 ] - [ 0.0005558600000000, 0.0002302500000000, 0.0001582400000000 ] - [ 0.0344349600000000, -0.0099830400000000, -0.0018367400000000 ] - [ -0.0022141600000000, 0.0040965600000000, 0.0002632700000000 ] - [ -0.0039458900000000, -0.0041545400000000, -0.0001385100000000 ] - [ 0.0005642500000000, 0.0009253500000000, -0.0004996100000000 ] - [ 0.0204405000000000, 0.0262145200000000, -0.0076562500000000 ] - [ -0.0032397800000000, -0.0052940900000000, 0.0001462600000000 ] - [ 0.0021452900000000, 0.0015001400000000, 0.0011698500000000 ] - [ 0.0005721100000000, -0.0000817900000000, 0.0002537600000000 ] - [ -0.1497122600000000, -0.0902890500000000, 0.0048132000000000 ] - [ -0.0023271000000000, 0.0009735100000000, -0.0002153200000000 ] - [ -0.0002699800000000, 0.0003370500000000, -0.0026203400000000 ] - [ 0.0013566000000000, 0.0031885300000000, -0.0265191000000000 ] - [ -0.0109683200000000, 0.0087514500000000, -0.0008284600000000 ] - [ -0.0124590700000000, 0.0091479800000000, 0.0022692300000000 ] - [ -0.0014588000000000, 0.0017149300000000, 0.0005630200000000 ] - [ -0.0012963500000000, 0.0007840700000000, -0.0009748400000000 ] - [ -0.0045377700000000, -0.0064471500000000, -0.0003473200000000 ] - [ 0.0228127700000000, 0.0234566500000000, 0.0084174100000000 ] - [ 0.0390733000000000, -0.0132560700000000, 0.0017394000000000 ] - [ -0.0026589800000000, 0.0038135900000000, -0.0002113200000000 ] - [ 0.0010650500000000, -0.0010247400000000, 0.0041434000000000 ] - [ 0.0012429800000000, 0.0013493600000000, 0.0047056200000000 ] - [ 0.0014648700000000, -0.0012733200000000, -0.0028524000000000 ] - [ -0.0019217500000000, 0.0020745100000000, -0.0008423500000000 ] - [ 0.0001933700000000, 0.0004176200000000, -0.0027143400000000 ] - [ 0.0015171100000000, -0.0005843800000000, -0.0032892800000000 ] - [ -0.0016097700000000, 0.0002581900000000, -0.0009869200000000 ] - [ 0.0011466400000000, 0.0104363300000000, 0.0217453100000000 ] - [ 0.0011591800000000, 0.0002614000000000, 0.0019203400000000 ] - [ 0.0011657700000000, -0.0001514100000000, 0.0022102400000000 ] - [ -0.0001012500000000, 0.0000911900000000, -0.0002487700000000 ] - [ -0.0004956900000000, 0.0001507500000000, 0.0024413500000000 ] - [ 0.0007492600000000, -0.0005412800000000, -0.0081234400000000 ] - [ 0.0006075200000000, 0.0007344400000000, -0.0045992100000000 ] - [ -0.0024790000000000, 0.0007431000000000, -0.0012911400000000 ] - [ -0.0024802500000000, 0.0005251200000000, -0.0000925700000000 ] - [ 0.0038332900000000, -0.0023682700000000, 0.0004252400000000 ] - [ 0.0023689700000000, -0.0007417800000000, 0.0001888900000000 ] - [ 0.0002979000000000, -0.0014342200000000, 0.0015348400000000 ] - [ 0.0014178700000000, 0.0012071200000000, 0.0018637000000000 ] - [ 0.0047114500000000, 0.0018249700000000, 0.0002340000000000 ] - [ 0.0035747800000000, 0.0025064300000000, 0.0007036900000000 ] - [ -0.0045024300000000, -0.0029570400000000, -0.0008308900000000 ] - [ -0.0005922200000000, 0.0007699700000000, -0.0005900600000000 ] - [ 0.0020280200000000, 0.0008311400000000, 0.0002677200000000 ] - [ 0.0020267500000000, 0.0009076400000000, 0.0002024400000000 ] - [ 0.0006734600000000, -0.0000663700000000, 0.0029469500000000 ] - [ 0.0006276700000000, 0.0001785900000000, 0.0027147100000000 ] - [ 0.0027118800000000, -0.0012160800000000, 0.0003079900000000 ] - [ 0.0016784000000000, -0.0005384800000000, 0.0001327600000000 ] - [ 0.0010509500000000, -0.0007484500000000, 0.0013561800000000 ] - [ -0.0002376000000000, 0.0007868600000000, 0.0005357200000000 ] - [ 0.0043893100000000, 0.0013616200000000, 0.0001336300000000 ] - [ 0.0035665800000000, 0.0031337500000000, -0.0004008500000000 ] - [ 0.0026641800000000, -0.0008406600000000, 0.0003324400000000 ] - [ 0.0035969200000000, -0.0025754500000000, -0.0003706400000000 ]- atom: 57 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ -0.0029694800000000, 0.0046502200000000, -0.0029151900000000 ] - [ -0.0091631500000000, -0.0089880600000000, -0.0075707700000000 ] - [ -0.0111372000000000, -0.0055314300000000, 0.0037470000000000 ] - [ -0.0018312000000000, 0.0039734100000000, 0.0022887300000000 ] - [ 0.0025827300000000, -0.0002346200000000, 0.0014042200000000 ] - [ 0.0018901600000000, 0.0000956700000000, 0.0008850800000000 ] - [ 0.0020314100000000, 0.0006260800000000, 0.0002542500000000 ] - [ 0.0017272200000000, -0.0007281600000000, -0.0001985200000000 ] - [ 0.0103799900000000, 0.0101913000000000, 0.0003164800000000 ] - [ 0.0144597100000000, -0.0133979200000000, -0.0010662400000000 ] - [ 0.0035899200000000, 0.0014646100000000, 0.0039069800000000 ] - [ 0.0032374300000000, -0.0011456900000000, 0.0043599900000000 ] - [ -0.0016506500000000, -0.0017612800000000, 0.0140844000000000 ] - [ -0.0001233000000000, 0.0013368100000000, 0.0005006100000000 ] - [ -0.0185803100000000, 0.0087760700000000, -0.0136593100000000 ] - [ -0.0088451500000000, 0.0034178300000000, -0.0004663700000000 ] - [ -0.0101447500000000, 0.0026823900000000, -0.0021749500000000 ] - [ -0.0329187400000000, -0.0154108700000000, 0.0160177900000000 ] - [ -0.0014514700000000, 0.0028917400000000, -0.0047201700000000 ] - [ -0.0013674700000000, -0.0020908900000000, -0.0198850900000000 ] - [ 0.0155320200000000, -0.0153773600000000, -0.0021246300000000 ] - [ 0.0106437300000000, 0.0105368600000000, -0.0001499600000000 ] - [ -0.0015445700000000, -0.0025091600000000, -0.0148431500000000 ] - [ -0.0014635600000000, 0.0019720700000000, -0.0036156700000000 ] - [ -0.0017090300000000, 0.0003990500000000, 0.0002016800000000 ] - [ -0.0019080000000000, -0.0012109900000000, 0.0098674400000000 ] - [ 0.0051217300000000, 0.0000827800000000, 0.0009494000000000 ] - [ 0.0060199800000000, 0.0008810100000000, 0.0021240300000000 ] - [ 0.0055991100000000, 0.0004934500000000, 0.0024219000000000 ] - [ 0.0046295700000000, 0.0002940300000000, 0.0013760100000000 ] - [ 0.0037836400000000, -0.0008766400000000, 0.0048020100000000 ] - [ 0.0036500600000000, 0.0014353100000000, 0.0048374200000000 ] - [ -0.0014880700000000, -0.0013656600000000, 0.0036094700000000 ] - [ -0.0011328500000000, 0.0011408000000000, 0.0066079800000000 ] - [ -0.0020288400000000, 0.0013112700000000, -0.0008386200000000 ] - [ -0.0017780000000000, 0.0012154000000000, -0.0008309600000000 ] - [ -0.0018318000000000, -0.0010164000000000, -0.0008019200000000 ] - [ -0.0021673700000000, -0.0017298300000000, -0.0010102400000000 ] - [ -0.0010875900000000, 0.0001256300000000, -0.0022086500000000 ] - [ -0.0006272700000000, -0.0001701800000000, -0.0001135500000000 ] - [ -0.0018501500000000, -0.0130441200000000, 0.0261988600000000 ] - [ 0.0016549400000000, -0.0003767300000000, 0.0010629400000000 ] - [ -0.0006513400000000, -0.0040422100000000, -0.0206106300000000 ] - [ 0.0002601400000000, -0.0002412900000000, 0.0002539200000000 ] - [ -0.0006891700000000, -0.0007070800000000, -0.0043491800000000 ] - [ -0.0007975200000000, 0.0007163200000000, -0.0041918300000000 ] - [ -0.0014507800000000, 0.0011680500000000, -0.0012144300000000 ] - [ -0.0002844200000000, -0.0003168300000000, -0.0003636200000000 ] - [ -0.0352352300000000, 0.0104000500000000, 0.0016155400000000 ] - [ 0.0021519500000000, -0.0039063600000000, -0.0005200200000000 ] - [ 0.0035446700000000, 0.0037879300000000, 0.0002875200000000 ] - [ -0.0009785100000000, -0.0013062600000000, 0.0006453100000000 ] - [ -0.0207686800000000, -0.0266196800000000, 0.0075076600000000 ] - [ 0.0032190600000000, 0.0051548000000000, -0.0003978700000000 ] - [ -0.0018846700000000, -0.0014227800000000, -0.0013784200000000 ] - [ -0.0003029900000000, 0.0001670100000000, -0.0004568400000000 ] - [ 0.1490226600000000, 0.0891582700000000, -0.0044112800000000 ] - [ 0.0018910600000000, -0.0014303700000000, 0.0001937700000000 ] - [ 0.0006863000000000, -0.0003337300000000, 0.0024998800000000 ] - [ -0.0009919900000000, -0.0031988700000000, 0.0262299900000000 ] - [ 0.0105521700000000, -0.0081670100000000, 0.0008053000000000 ] - [ 0.0119893700000000, -0.0088923000000000, -0.0022973000000000 ] - [ 0.0010600400000000, -0.0013464800000000, -0.0004223300000000 ] - [ 0.0008801800000000, -0.0003997200000000, 0.0011221100000000 ] - [ 0.0043848900000000, 0.0061364200000000, 0.0007269400000000 ] - [ -0.0227253400000000, -0.0236448100000000, -0.0079645000000000 ] - [ -0.0385435100000000, 0.0133323300000000, -0.0013453500000000 ] - [ 0.0025491900000000, -0.0035537700000000, 0.0005932700000000 ] - [ -0.0019890400000000, 0.0010203200000000, -0.0037194200000000 ] - [ -0.0021601800000000, -0.0013461800000000, -0.0042865100000000 ] - [ -0.0015174200000000, 0.0010666500000000, 0.0025673900000000 ] - [ 0.0018518400000000, -0.0022775500000000, 0.0005595500000000 ] - [ -0.0002568200000000, -0.0002018600000000, 0.0024342600000000 ] - [ -0.0015662900000000, 0.0007881700000000, 0.0029951500000000 ] - [ 0.0014868400000000, -0.0002471100000000, 0.0005749400000000 ] - [ -0.0013827200000000, -0.0104840200000000, -0.0221579100000000 ] - [ -0.0009739600000000, -0.0002625300000000, -0.0011324500000000 ] - [ -0.0009844600000000, 0.0001531700000000, -0.0014190900000000 ] - [ -0.0004336000000000, -0.0000905600000000, 0.0004227200000000 ] - [ -0.0000390600000000, -0.0001510200000000, -0.0023059600000000 ] - [ -0.0007425500000000, 0.0005380500000000, 0.0072288400000000 ] - [ -0.0006002700000000, -0.0007343500000000, 0.0037136800000000 ] - [ 0.0027455500000000, -0.0008110500000000, 0.0010721100000000 ] - [ 0.0027513100000000, -0.0006190500000000, -0.0001330500000000 ] - [ -0.0038979300000000, 0.0025644800000000, -0.0006818700000000 ] - [ -0.0024686200000000, 0.0009580900000000, -0.0004465300000000 ] - [ -0.0007269100000000, 0.0010733400000000, -0.0014175400000000 ] - [ -0.0018632000000000, -0.0016106400000000, -0.0017418900000000 ] - [ -0.0047710600000000, -0.0020154000000000, -0.0004923100000000 ] - [ -0.0036634400000000, -0.0027187200000000, -0.0009597300000000 ] - [ 0.0047822200000000, 0.0030509600000000, 0.0005905900000000 ] - [ 0.0008546000000000, -0.0006950200000000, 0.0003739800000000 ] - [ -0.0024750900000000, -0.0012918300000000, -0.0002949900000000 ] - [ -0.0024693200000000, -0.0013531300000000, -0.0002314300000000 ] - [ -0.0002598400000000, 0.0000647300000000, -0.0031130900000000 ] - [ -0.0002142300000000, -0.0001785200000000, -0.0028696700000000 ] - [ -0.0031612100000000, 0.0016698700000000, -0.0003346000000000 ] - [ -0.0021193700000000, 0.0009902100000000, -0.0001619000000000 ] - [ -0.0014914900000000, 0.0011353200000000, -0.0012323900000000 ] - [ -0.0001828900000000, -0.0004135600000000, -0.0004034300000000 ] - [ -0.0045305000000000, -0.0016348200000000, 0.0002398700000000 ] - [ -0.0036690500000000, -0.0033977600000000, 0.0007802800000000 ] - [ -0.0027518300000000, 0.0010857600000000, 0.0000434400000000 ] - [ -0.0037309300000000, 0.0028561700000000, 0.0007506500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005284000000000, -0.0069409500000000, 0.0036354600000000 ] - [ 0.0075826600000000, 0.0103842200000000, -0.0028538800000000 ] - [ 0.0108048500000000, 0.0061033200000000, 0.0058760700000000 ] - [ 0.0001502400000000, -0.0068288200000000, -0.0041004700000000 ] - [ -0.0006927600000000, 0.0003653600000000, -0.0009001000000000 ] - [ -0.0010000600000000, -0.0002823100000000, -0.0007462500000000 ] - [ -0.0005341900000000, -0.0008621600000000, -0.0000957200000000 ] - [ 0.0006258500000000, 0.0008617200000000, 0.0002179800000000 ] - [ -0.0092028300000000, -0.0108644600000000, -0.0008336000000000 ] - [ -0.0035759500000000, 0.0083077200000000, 0.0018532100000000 ] - [ -0.0015474300000000, -0.0023991700000000, -0.0024244700000000 ] - [ -0.0008809900000000, 0.0020138200000000, -0.0010008700000000 ] - [ 0.0018395000000000, 0.0032567300000000, -0.0121310200000000 ] - [ 0.0007433300000000, -0.0027486800000000, 0.0028066200000000 ] - [ -0.0008659600000000, 0.0026474800000000, 0.0111626800000000 ] - [ 0.0139478700000000, -0.0162467900000000, 0.0015160000000000 ] - [ 0.0133561000000000, -0.0165858700000000, -0.0001908500000000 ] - [ 0.0196169000000000, 0.0313138300000000, -0.0174963600000000 ] - [ 0.0003734400000000, -0.0043390300000000, 0.0008352000000000 ] - [ 0.0023162400000000, 0.0041552200000000, 0.0167544000000000 ] - [ -0.0027780600000000, 0.0079511000000000, 0.0006235800000000 ] - [ -0.0108997600000000, -0.0123704000000000, -0.0009713800000000 ] - [ -0.0003508100000000, 0.0056338400000000, 0.0127058200000000 ] - [ 0.0006663500000000, -0.0056933400000000, 0.0011565400000000 ] - [ 0.0004853300000000, -0.0043817400000000, 0.0028881200000000 ] - [ 0.0001449200000000, 0.0045213600000000, -0.0104419200000000 ] - [ -0.0018914000000000, -0.0021351000000000, 0.0000612400000000 ] - [ -0.0021131500000000, 0.0016423300000000, -0.0019202300000000 ] - [ -0.0025765100000000, 0.0012862300000000, -0.0012204500000000 ] - [ -0.0022221400000000, -0.0017503500000000, -0.0009179500000000 ] - [ -0.0005122100000000, 0.0021478900000000, -0.0011654200000000 ] - [ -0.0026580700000000, -0.0023868600000000, -0.0041393200000000 ] - [ 0.0005585400000000, 0.0013268300000000, -0.0016656700000000 ] - [ -0.0010213600000000, -0.0010543600000000, -0.0044070700000000 ] - [ 0.0005416800000000, -0.0005407900000000, 0.0001228000000000 ] - [ 0.0010227200000000, -0.0009090800000000, 0.0002793900000000 ] - [ 0.0000243400000000, -0.0002605500000000, -0.0000050400000000 ] - [ 0.0018037300000000, 0.0019634000000000, 0.0005802200000000 ] - [ 0.0004980800000000, -0.0004184000000000, 0.0015753300000000 ] - [ 0.0001060900000000, 0.0004211300000000, -0.0006378700000000 ] - [ 0.0097119400000000, 0.0077761800000000, -0.0263369700000000 ] - [ -0.0012111000000000, 0.0029968800000000, 0.0012886100000000 ] - [ 0.0025914800000000, 0.0015449700000000, 0.0199247900000000 ] - [ -0.0007944700000000, 0.0009696700000000, -0.0022539800000000 ] - [ 0.0005263900000000, 0.0007972900000000, 0.0024366400000000 ] - [ 0.0002433300000000, -0.0006035300000000, 0.0001776800000000 ] - [ 0.0013626600000000, -0.0015900500000000, 0.0006098900000000 ] - [ -0.0001528800000000, 0.0008876200000000, -0.0000469100000000 ] - [ 0.0106764700000000, -0.0140761100000000, -0.0024067900000000 ] - [ -0.0034335100000000, 0.0072839000000000, 0.0008581500000000 ] - [ -0.0046005000000000, -0.0051691300000000, 0.0000093200000000 ] - [ 0.0012537400000000, 0.0018211200000000, -0.0004350100000000 ] - [ 0.0160709100000000, 0.0252463700000000, -0.0067840200000000 ] - [ -0.0049628500000000, -0.0026576100000000, -0.0009749900000000 ] - [ 0.0015999800000000, 0.0013246700000000, 0.0009905000000000 ] - [ 0.0000109800000000, -0.0002348200000000, -0.0001101400000000 ] - [ -0.0903755800000000, -0.1328383100000000, 0.0056789500000000 ] - [ 0.0009825900000000, 0.0091039400000000, -0.0005750300000000 ] - [ -0.0002960300000000, 0.0010799800000000, 0.0006249000000000 ] - [ 0.0038990900000000, 0.0004795700000000, -0.0249443100000000 ] - [ -0.0086308400000000, 0.0317258100000000, -0.0011493700000000 ] - [ -0.0092937200000000, 0.0346932500000000, 0.0039324700000000 ] - [ -0.0008840100000000, 0.0013154500000000, 0.0007651600000000 ] - [ -0.0018309800000000, 0.0011946800000000, -0.0009855000000000 ] - [ -0.0050890400000000, -0.0028547000000000, 0.0008050500000000 ] - [ 0.0199777700000000, 0.0263922000000000, 0.0083642900000000 ] - [ 0.0096711300000000, -0.0147583800000000, 0.0026370000000000 ] - [ -0.0040286200000000, 0.0071462200000000, -0.0007696800000000 ] - [ -0.0007739700000000, -0.0008301400000000, 0.0011986400000000 ] - [ 0.0012356000000000, 0.0013564500000000, 0.0040489200000000 ] - [ 0.0023808400000000, -0.0042480800000000, -0.0010763500000000 ] - [ -0.0023560600000000, 0.0033026400000000, -0.0006352700000000 ] - [ 0.0012306100000000, 0.0011344500000000, -0.0024420600000000 ] - [ -0.0001945300000000, 0.0016175100000000, -0.0001139100000000 ] - [ -0.0013002200000000, 0.0027657700000000, -0.0021727900000000 ] - [ 0.0084846600000000, 0.0053187100000000, 0.0249688000000000 ] - [ 0.0006879700000000, 0.0005187800000000, 0.0012924700000000 ] - [ 0.0005795200000000, -0.0004356800000000, 0.0013957100000000 ] - [ -0.0000460800000000, 0.0003812100000000, -0.0011549200000000 ] - [ -0.0005757400000000, -0.0001513900000000, 0.0033582900000000 ] - [ 0.0002893600000000, -0.0005407000000000, -0.0046671000000000 ] - [ 0.0006402800000000, 0.0010224500000000, -0.0027108800000000 ] - [ -0.0005056400000000, 0.0010999600000000, -0.0022003000000000 ] - [ -0.0005951900000000, 0.0011575700000000, 0.0013645100000000 ] - [ 0.0005953500000000, -0.0002570200000000, 0.0001234800000000 ] - [ 0.0023953100000000, -0.0009401100000000, 0.0000698600000000 ] - [ -0.0015356100000000, 0.0011975400000000, -0.0017936000000000 ] - [ 0.0017061000000000, 0.0011461500000000, 0.0022105700000000 ] - [ 0.0001829600000000, -0.0008095500000000, 0.0001005300000000 ] - [ 0.0034578100000000, 0.0032050900000000, 0.0005669600000000 ] - [ -0.0028936500000000, -0.0058849000000000, -0.0003096800000000 ] - [ 0.0008798100000000, 0.0029628500000000, -0.0005675700000000 ] - [ 0.0009131800000000, 0.0003914500000000, 0.0001675300000000 ] - [ 0.0008389700000000, 0.0003876100000000, 0.0000756900000000 ] - [ 0.0004135800000000, -0.0002513000000000, 0.0007294000000000 ] - [ 0.0004565000000000, 0.0003264700000000, 0.0018491500000000 ] - [ 0.0012213800000000, -0.0008824400000000, 0.0001892400000000 ] - [ 0.0005456300000000, 0.0004178700000000, 0.0000342900000000 ] - [ 0.0010476400000000, -0.0031826800000000, -0.0002551900000000 ] - [ -0.0009293900000000, 0.0023287800000000, 0.0006988700000000 ] - [ 0.0004438100000000, -0.0007343700000000, 0.0000708000000000 ] - [ 0.0027352300000000, 0.0030373700000000, -0.0002432900000000 ] - [ 0.0022099300000000, -0.0005929600000000, 0.0003436500000000 ] - [ 0.0007262000000000, -0.0006367900000000, -0.0002298400000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002144400000000, 0.0069348200000000, -0.0039764600000000 ] - [ -0.0075235100000000, -0.0101101800000000, 0.0028538300000000 ] - [ -0.0095860000000000, -0.0063879800000000, -0.0054555300000000 ] - [ 0.0008819700000000, 0.0068460300000000, 0.0041778600000000 ] - [ 0.0009965800000000, -0.0003580700000000, 0.0006139000000000 ] - [ 0.0013097600000000, 0.0002822600000000, 0.0004430000000000 ] - [ 0.0015789600000000, 0.0008589100000000, 0.0002347800000000 ] - [ 0.0004257000000000, -0.0008633600000000, -0.0000811600000000 ] - [ 0.0088932800000000, 0.0108897800000000, 0.0004848100000000 ] - [ 0.0032026100000000, -0.0082692000000000, -0.0021940900000000 ] - [ 0.0022273500000000, 0.0023974300000000, 0.0027573600000000 ] - [ 0.0015516200000000, -0.0020041400000000, 0.0013155100000000 ] - [ -0.0016620700000000, -0.0032792700000000, 0.0134560900000000 ] - [ -0.0005566500000000, 0.0027598300000000, -0.0014953900000000 ] - [ 0.0001566700000000, -0.0036937100000000, -0.0115444100000000 ] - [ -0.0128759100000000, 0.0162019100000000, -0.0014873700000000 ] - [ -0.0135867400000000, 0.0166271200000000, -0.0000183500000000 ] - [ -0.0169420400000000, -0.0294084200000000, 0.0165746500000000 ] - [ -0.0003892800000000, 0.0043323800000000, -0.0012009100000000 ] - [ -0.0023507500000000, -0.0041481400000000, -0.0170837400000000 ] - [ 0.0024661100000000, -0.0080510000000000, -0.0009737400000000 ] - [ 0.0104755300000000, 0.0123657800000000, 0.0006103500000000 ] - [ 0.0009828400000000, -0.0056638600000000, -0.0123944500000000 ] - [ -0.0000209200000000, 0.0057187100000000, -0.0008399200000000 ] - [ -0.0002995700000000, 0.0043598100000000, -0.0016045800000000 ] - [ 0.0000564300000000, -0.0045053200000000, 0.0118219800000000 ] - [ 0.0028288200000000, 0.0021282600000000, -0.0000331400000000 ] - [ 0.0030495000000000, -0.0016237200000000, 0.0019570500000000 ] - [ 0.0024935800000000, -0.0012983800000000, 0.0010130200000000 ] - [ 0.0021405100000000, 0.0017576200000000, 0.0007049300000000 ] - [ 0.0005305000000000, -0.0021669100000000, 0.0008139300000000 ] - [ 0.0026712300000000, 0.0024060600000000, 0.0037609200000000 ] - [ -0.0014724400000000, -0.0013254000000000, 0.0020808500000000 ] - [ 0.0001216900000000, 0.0010526800000000, 0.0048034700000000 ] - [ -0.0006305900000000, 0.0003473300000000, -0.0004039300000000 ] - [ -0.0010993100000000, 0.0006995100000000, -0.0005565500000000 ] - [ -0.0001071300000000, 0.0004625300000000, -0.0002737900000000 ] - [ -0.0018861000000000, -0.0017635500000000, -0.0008559700000000 ] - [ -0.0006194600000000, 0.0004203900000000, -0.0019891600000000 ] - [ -0.0002237200000000, -0.0004225600000000, 0.0002297300000000 ] - [ -0.0095514600000000, -0.0076856500000000, 0.0273372900000000 ] - [ 0.0013920900000000, -0.0030083000000000, -0.0004609700000000 ] - [ -0.0031323100000000, -0.0015109200000000, -0.0198853000000000 ] - [ 0.0002563600000000, -0.0009730200000000, 0.0024207400000000 ] - [ -0.0005219000000000, -0.0007986500000000, -0.0033182100000000 ] - [ -0.0002329900000000, 0.0006008900000000, -0.0010464000000000 ] - [ -0.0011092700000000, 0.0015242000000000, -0.0008183100000000 ] - [ 0.0004083800000000, -0.0009594800000000, -0.0001611000000000 ] - [ -0.0106622600000000, 0.0143776500000000, 0.0021720400000000 ] - [ 0.0033261200000000, -0.0070662500000000, -0.0011110900000000 ] - [ 0.0041928200000000, 0.0048015400000000, 0.0001335300000000 ] - [ -0.0016721100000000, -0.0022002500000000, 0.0005724800000000 ] - [ -0.0161889800000000, -0.0256264300000000, 0.0066017700000000 ] - [ 0.0048236800000000, 0.0024009100000000, 0.0007266200000000 ] - [ -0.0013489200000000, -0.0012558800000000, -0.0011989000000000 ] - [ 0.0002441500000000, 0.0003022600000000, -0.0000957300000000 ] - [ 0.0890317400000000, 0.1315267800000000, -0.0054296200000000 ] - [ -0.0014161700000000, -0.0095487100000000, 0.0005539300000000 ] - [ 0.0007152600000000, -0.0010767100000000, -0.0007735900000000 ] - [ -0.0034875500000000, -0.0005290300000000, 0.0246421300000000 ] - [ 0.0083013900000000, -0.0317642900000000, 0.0011343300000000 ] - [ 0.0087235700000000, -0.0337374900000000, -0.0039241800000000 ] - [ 0.0004707000000000, -0.0009374100000000, -0.0006274700000000 ] - [ 0.0014180300000000, -0.0008213100000000, 0.0011209900000000 ] - [ 0.0050607900000000, 0.0026627800000000, -0.0004252100000000 ] - [ -0.0200572700000000, -0.0264956500000000, -0.0079257300000000 ] - [ -0.0099955100000000, 0.0150042900000000, -0.0022429100000000 ] - [ 0.0039538800000000, -0.0069000200000000, 0.0011509900000000 ] - [ -0.0001468000000000, 0.0008372500000000, -0.0008086700000000 ] - [ -0.0021420800000000, -0.0013611200000000, -0.0036294900000000 ] - [ -0.0024352300000000, 0.0040333600000000, 0.0007889800000000 ] - [ 0.0022846200000000, -0.0035139500000000, 0.0003581000000000 ] - [ -0.0012944400000000, -0.0009121100000000, 0.0021693900000000 ] - [ 0.0001351500000000, -0.0014126100000000, -0.0001783000000000 ] - [ 0.0011948300000000, -0.0027545400000000, 0.0017965000000000 ] - [ -0.0086056100000000, -0.0054540800000000, -0.0253241500000000 ] - [ -0.0005033500000000, -0.0005170500000000, -0.0004918900000000 ] - [ -0.0003976600000000, 0.0004347100000000, -0.0005964100000000 ] - [ -0.0004899400000000, -0.0003786200000000, 0.0013425300000000 ] - [ 0.0000401000000000, 0.0001479300000000, -0.0031882500000000 ] - [ -0.0002857900000000, 0.0005446200000000, 0.0038245300000000 ] - [ -0.0006302000000000, -0.0010233700000000, 0.0018347600000000 ] - [ 0.0007654800000000, -0.0011577300000000, 0.0019906700000000 ] - [ 0.0008708600000000, -0.0012608100000000, -0.0015853600000000 ] - [ -0.0007003700000000, 0.0004810800000000, -0.0003823900000000 ] - [ -0.0024736300000000, 0.0011378400000000, -0.0003258500000000 ] - [ 0.0011173400000000, -0.0015625500000000, 0.0019217900000000 ] - [ -0.0021447300000000, -0.0015506400000000, -0.0020798000000000 ] - [ -0.0002952100000000, 0.0005900400000000, -0.0003596700000000 ] - [ -0.0035405200000000, -0.0034084300000000, -0.0008229900000000 ] - [ 0.0031695900000000, 0.0059785200000000, 0.0000789000000000 ] - [ -0.0006160200000000, -0.0028893500000000, 0.0003670700000000 ] - [ -0.0013493500000000, -0.0008327000000000, -0.0001998200000000 ] - [ -0.0012782700000000, -0.0008348600000000, -0.0001065900000000 ] - [ 0.0000005600000000, 0.0002529100000000, -0.0008664900000000 ] - [ -0.0000428800000000, -0.0003281500000000, -0.0019737800000000 ] - [ -0.0016627500000000, 0.0013284400000000, -0.0002222100000000 ] - [ -0.0009807400000000, 0.0000251100000000, -0.0000650200000000 ] - [ -0.0014796300000000, 0.0035709900000000, 0.0003795500000000 ] - [ 0.0005138400000000, -0.0019473300000000, -0.0005560800000000 ] - [ -0.0005367900000000, 0.0004674100000000, 0.0002982000000000 ] - [ -0.0028422000000000, -0.0033104000000000, 0.0006137900000000 ] - [ -0.0023267900000000, 0.0008695600000000, 0.0000300600000000 ] - [ -0.0008282800000000, 0.0008987700000000, 0.0006008900000000 ]- atom: 57 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ -0.0010229800000000, 0.0045687000000000, -0.0001728700000000 ] - [ -0.0011234300000000, -0.0093272500000000, -0.0027232300000000 ] - [ -0.0101601100000000, 0.0002845000000000, 0.0044871400000000 ] - [ -0.0010127000000000, 0.0010142100000000, 0.0035265900000000 ] - [ 0.0008709000000000, -0.0000825700000000, 0.0005541900000000 ] - [ 0.0009935500000000, -0.0000084300000000, 0.0004658300000000 ] - [ 0.0013386300000000, 0.0000910500000000, -0.0000390500000000 ] - [ 0.0008229000000000, -0.0000214500000000, -0.0006781700000000 ] - [ 0.0041851300000000, 0.0042461700000000, 0.0007898500000000 ] - [ 0.0073558500000000, -0.0065249000000000, -0.0005037500000000 ] - [ 0.0008258100000000, 0.0003763400000000, 0.0019414100000000 ] - [ 0.0005105600000000, -0.0003110700000000, 0.0020527900000000 ] - [ -0.0010660200000000, -0.0018659200000000, 0.0020244900000000 ] - [ -0.0003276600000000, 0.0014876000000000, 0.0003493500000000 ] - [ -0.0106364600000000, 0.0037660300000000, 0.0058047400000000 ] - [ -0.0058360700000000, 0.0029542000000000, 0.0011958900000000 ] - [ -0.0056097400000000, 0.0019398200000000, -0.0002577300000000 ] - [ -0.0176398500000000, -0.0078498900000000, 0.0241860300000000 ] - [ 0.0022459500000000, 0.0021524000000000, -0.0027377900000000 ] - [ 0.0034846100000000, -0.0004795600000000, -0.0198084600000000 ] - [ 0.0110181400000000, -0.0113851700000000, -0.0017309300000000 ] - [ 0.0090377900000000, 0.0086255500000000, 0.0000409200000000 ] - [ 0.0028801200000000, -0.0007875900000000, -0.0159080900000000 ] - [ 0.0012168000000000, 0.0003609500000000, -0.0030070100000000 ] - [ -0.0011125400000000, 0.0022324800000000, -0.0005475700000000 ] - [ -0.0026306800000000, -0.0023729000000000, -0.0017147600000000 ] - [ 0.0031948400000000, 0.0004409700000000, -0.0005633900000000 ] - [ 0.0038056400000000, 0.0003151000000000, -0.0008439600000000 ] - [ 0.0025899600000000, 0.0003367900000000, 0.0000198000000000 ] - [ 0.0021252700000000, -0.0000358400000000, 0.0000481500000000 ] - [ -0.0009211100000000, -0.0002057400000000, 0.0021855700000000 ] - [ -0.0003539700000000, -0.0002061500000000, 0.0029308000000000 ] - [ -0.0013876400000000, -0.0007592700000000, 0.0013294200000000 ] - [ -0.0015720300000000, 0.0004760300000000, 0.0045524700000000 ] - [ -0.0002455100000000, 0.0001294600000000, -0.0005641600000000 ] - [ -0.0004011500000000, 0.0003032200000000, -0.0005391500000000 ] - [ -0.0001102100000000, -0.0000061300000000, -0.0004853100000000 ] - [ -0.0005926000000000, -0.0004353400000000, -0.0006580700000000 ] - [ -0.0003432900000000, 0.0001252100000000, -0.0002986000000000 ] - [ -0.0002593800000000, -0.0001386800000000, 0.0000283800000000 ] - [ -0.0122233000000000, -0.0211482400000000, 0.0261619400000000 ] - [ 0.0008705000000000, 0.0003458000000000, -0.0001866800000000 ] - [ 0.0038360400000000, 0.0021190800000000, -0.0051363300000000 ] - [ 0.0001371700000000, -0.0003208500000000, -0.0000584800000000 ] - [ -0.0002502500000000, -0.0003140800000000, -0.0023991800000000 ] - [ -0.0002576600000000, 0.0003416300000000, -0.0023271700000000 ] - [ 0.0001216100000000, 0.0000735900000000, -0.0003988000000000 ] - [ 0.0000822800000000, -0.0002204000000000, -0.0002202800000000 ] - [ -0.0183411200000000, 0.0042854400000000, -0.0026844700000000 ] - [ 0.0009334000000000, -0.0017568200000000, -0.0007040200000000 ] - [ 0.0017063600000000, 0.0014704500000000, 0.0018436500000000 ] - [ -0.0012012700000000, -0.0011541800000000, 0.0003945700000000 ] - [ -0.0077045000000000, -0.0097634700000000, 0.0042064400000000 ] - [ 0.0014197800000000, 0.0031769400000000, -0.0012659400000000 ] - [ 0.0000015200000000, 0.0000753200000000, -0.0002935200000000 ] - [ 0.0001502400000000, 0.0000957400000000, -0.0002566800000000 ] - [ 0.0889818600000000, 0.0553522800000000, -0.0478309300000000 ] - [ 0.0008303200000000, -0.0013596100000000, -0.0003539600000000 ] - [ 0.0002592900000000, -0.0001438000000000, 0.0014782700000000 ] - [ -0.0058698200000000, -0.0066777100000000, 0.0244246000000000 ] - [ 0.0052694300000000, -0.0036271200000000, -0.0031144500000000 ] - [ 0.0086322900000000, -0.0081957600000000, -0.0058679500000000 ] - [ -0.0006182300000000, 0.0005722800000000, 0.0001269900000000 ] - [ 0.0006019200000000, -0.0006869300000000, 0.0009665600000000 ] - [ 0.0030619200000000, 0.0034280400000000, -0.0005439800000000 ] - [ -0.0203340600000000, -0.0218456300000000, -0.0050233600000000 ] - [ -0.0269964900000000, 0.0115589500000000, -0.0047473000000000 ] - [ 0.0019377600000000, -0.0029106300000000, 0.0001835600000000 ] - [ -0.0005402700000000, 0.0007630000000000, -0.0027456200000000 ] - [ -0.0013004800000000, -0.0007963800000000, -0.0035487000000000 ] - [ -0.0038935800000000, 0.0021409100000000, 0.0026469500000000 ] - [ 0.0004607800000000, -0.0010753200000000, 0.0002266900000000 ] - [ -0.0028174900000000, -0.0022778000000000, 0.0025103000000000 ] - [ -0.0040274600000000, 0.0001177900000000, 0.0039935500000000 ] - [ 0.0007619300000000, -0.0010478500000000, -0.0004395100000000 ] - [ 0.0095600900000000, 0.0070089800000000, -0.0015253100000000 ] - [ -0.0003301300000000, -0.0000973200000000, -0.0001939000000000 ] - [ -0.0002484100000000, 0.0000641900000000, -0.0001630400000000 ] - [ -0.0004370300000000, -0.0001652300000000, 0.0016432500000000 ] - [ -0.0002496000000000, 0.0002839700000000, 0.0019580300000000 ] - [ -0.0009783100000000, 0.0001577100000000, 0.0067652200000000 ] - [ -0.0005757500000000, -0.0004925500000000, 0.0032859400000000 ] - [ 0.0017077800000000, -0.0016716600000000, 0.0014573200000000 ] - [ 0.0006970300000000, 0.0013905800000000, 0.0008260600000000 ] - [ -0.0021853700000000, 0.0014904200000000, -0.0004524500000000 ] - [ -0.0020745600000000, 0.0010327200000000, -0.0002094000000000 ] - [ 0.0008563100000000, -0.0007482700000000, 0.0008737900000000 ] - [ 0.0010699000000000, 0.0013320800000000, -0.0000234300000000 ] - [ -0.0031149300000000, -0.0013527500000000, -0.0001765100000000 ] - [ -0.0031172700000000, -0.0024857300000000, -0.0007519600000000 ] - [ 0.0022943900000000, 0.0015773600000000, 0.0027468900000000 ] - [ 0.0001853400000000, -0.0007119100000000, 0.0002765500000000 ] - [ -0.0013281000000000, -0.0007535500000000, 0.0000049700000000 ] - [ -0.0012726200000000, -0.0007154100000000, 0.0000431300000000 ] - [ 0.0001476400000000, 0.0000189700000000, -0.0006151400000000 ] - [ 0.0001649800000000, -0.0000033800000000, -0.0009026000000000 ] - [ -0.0016339300000000, 0.0008759800000000, 0.0000367100000000 ] - [ -0.0011840600000000, 0.0006183700000000, 0.0000355700000000 ] - [ 0.0008166500000000, 0.0001380800000000, 0.0001800200000000 ] - [ 0.0003377500000000, -0.0006586500000000, -0.0003221600000000 ] - [ -0.0022787000000000, -0.0008747400000000, 0.0003686400000000 ] - [ -0.0014661200000000, -0.0012802500000000, 0.0004145500000000 ] - [ -0.0012160400000000, 0.0004998200000000, 0.0001521300000000 ] - [ -0.0019645900000000, 0.0015045800000000, 0.0005185600000000 ]- atom: 57 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ 0.0013250100000000, -0.0045766500000000, -0.0000867100000000 ] - [ 0.0011150500000000, 0.0096039900000000, 0.0028102200000000 ] - [ 0.0112785300000000, -0.0003502200000000, -0.0042041600000000 ] - [ 0.0020708200000000, -0.0010217900000000, -0.0034116400000000 ] - [ -0.0005841700000000, 0.0000935800000000, -0.0008569100000000 ] - [ -0.0006906500000000, 0.0000054400000000, -0.0007754200000000 ] - [ -0.0003025600000000, -0.0001009800000000, 0.0001735400000000 ] - [ 0.0002358000000000, 0.0000200000000000, 0.0008145800000000 ] - [ -0.0046076500000000, -0.0042895200000000, -0.0011321100000000 ] - [ -0.0077453100000000, 0.0065503600000000, 0.0001994100000000 ] - [ -0.0001687000000000, -0.0003900900000000, -0.0016401700000000 ] - [ 0.0001461500000000, 0.0003279000000000, -0.0017507300000000 ] - [ 0.0012737200000000, 0.0018777100000000, -0.0008650900000000 ] - [ 0.0005286200000000, -0.0015025000000000, 0.0009414000000000 ] - [ 0.0111506200000000, -0.0042607300000000, -0.0061007400000000 ] - [ 0.0067723800000000, -0.0029910200000000, -0.0011498600000000 ] - [ 0.0055967600000000, -0.0020061700000000, 0.0000412200000000 ] - [ 0.0184309000000000, 0.0091350000000000, -0.0243657600000000 ] - [ -0.0022147400000000, -0.0021652600000000, 0.0023586600000000 ] - [ -0.0034348400000000, 0.0005078000000000, 0.0195827700000000 ] - [ -0.0114369500000000, 0.0114612500000000, 0.0013711100000000 ] - [ -0.0094542400000000, -0.0086760600000000, -0.0004208700000000 ] - [ -0.0022206200000000, 0.0008265600000000, 0.0161869900000000 ] - [ -0.0005771500000000, -0.0004057500000000, 0.0033221100000000 ] - [ 0.0012857300000000, -0.0022462700000000, 0.0018564900000000 ] - [ 0.0027834100000000, 0.0023767700000000, 0.0030501700000000 ] - [ -0.0022811300000000, -0.0004397800000000, 0.0005909800000000 ] - [ -0.0029030000000000, -0.0003186300000000, 0.0008670300000000 ] - [ -0.0027027500000000, -0.0003236100000000, -0.0002435600000000 ] - [ -0.0022351300000000, 0.0000207000000000, -0.0002595800000000 ] - [ 0.0009210700000000, 0.0002013100000000, -0.0025709000000000 ] - [ 0.0003520700000000, 0.0002114400000000, -0.0033163800000000 ] - [ 0.0004759900000000, 0.0007623000000000, -0.0009358000000000 ] - [ 0.0006509400000000, -0.0004798400000000, -0.0041961900000000 ] - [ 0.0001689900000000, -0.0003288100000000, 0.0002876300000000 ] - [ 0.0003294100000000, -0.0005097200000000, 0.0002632000000000 ] - [ 0.0000353800000000, 0.0002064800000000, 0.0002099300000000 ] - [ 0.0005178700000000, 0.0006386700000000, 0.0003844300000000 ] - [ 0.0002260500000000, -0.0001290700000000, -0.0000815700000000 ] - [ 0.0001393500000000, 0.0001417300000000, -0.0004320400000000 ] - [ 0.0122538400000000, 0.0208162400000000, -0.0251239600000000 ] - [ -0.0006786400000000, -0.0003237100000000, 0.0009681600000000 ] - [ -0.0043392500000000, -0.0020741500000000, 0.0054614900000000 ] - [ -0.0006753500000000, 0.0003224700000000, 0.0002550200000000 ] - [ 0.0002592900000000, 0.0003170100000000, 0.0015535000000000 ] - [ 0.0002691200000000, -0.0003432700000000, 0.0014548900000000 ] - [ 0.0001462800000000, -0.0001593000000000, 0.0001918300000000 ] - [ 0.0001763300000000, 0.0001491900000000, 0.0000079500000000 ] - [ 0.0181995400000000, -0.0041176700000000, 0.0023392700000000 ] - [ -0.0010282100000000, 0.0019869900000000, 0.0004441100000000 ] - [ -0.0021773700000000, -0.0019019900000000, -0.0016906300000000 ] - [ 0.0007820700000000, 0.0007809400000000, -0.0002579700000000 ] - [ 0.0076988400000000, 0.0096830300000000, -0.0044144600000000 ] - [ -0.0015084900000000, -0.0033715000000000, 0.0009858600000000 ] - [ 0.0002737500000000, 0.0000159800000000, 0.0000923400000000 ] - [ 0.0001056600000000, -0.0000246500000000, 0.0000461800000000 ] - [ -0.0898702800000000, -0.0567973600000000, 0.0475224700000000 ] - [ -0.0012610400000000, 0.0009336100000000, 0.0003247800000000 ] - [ 0.0001533400000000, 0.0001485200000000, -0.0015926800000000 ] - [ 0.0063680400000000, 0.0068018400000000, -0.0248606300000000 ] - [ -0.0057426200000000, 0.0042373400000000, 0.0030668000000000 ] - [ -0.0091137000000000, 0.0085918400000000, 0.0058474100000000 ] - [ 0.0001858800000000, -0.0001762200000000, 0.0000171700000000 ] - [ -0.0010439200000000, 0.0010808800000000, -0.0008343100000000 ] - [ -0.0031971900000000, -0.0037110800000000, 0.0009225600000000 ] - [ 0.0204206700000000, 0.0217414100000000, 0.0054065800000000 ] - [ 0.0271128800000000, -0.0114306400000000, 0.0052159900000000 ] - [ -0.0020561000000000, 0.0031974400000000, 0.0001898700000000 ] - [ -0.0003738000000000, -0.0007699700000000, 0.0031698000000000 ] - [ 0.0003903900000000, 0.0007968600000000, 0.0039711700000000 ] - [ 0.0038223200000000, -0.0023626500000000, -0.0029196900000000 ] - [ -0.0005502400000000, 0.0008929900000000, -0.0005104800000000 ] - [ 0.0027134000000000, 0.0024552200000000, -0.0027769800000000 ] - [ 0.0039513600000000, 0.0001218300000000, -0.0042521100000000 ] - [ -0.0008859300000000, 0.0010589600000000, 0.0000248900000000 ] - [ -0.0096803200000000, -0.0070792100000000, 0.0009794600000000 ] - [ 0.0005239800000000, 0.0001014500000000, 0.0009964600000000 ] - [ 0.0004375600000000, -0.0000656900000000, 0.0009682600000000 ] - [ -0.0000961200000000, 0.0001669400000000, -0.0014555700000000 ] - [ -0.0002807400000000, -0.0002858900000000, -0.0017886400000000 ] - [ 0.0009807600000000, -0.0001689300000000, -0.0076226100000000 ] - [ 0.0005837200000000, 0.0004958500000000, -0.0041475100000000 ] - [ -0.0014289300000000, 0.0015895900000000, -0.0016824400000000 ] - [ -0.0004100700000000, -0.0014669300000000, -0.0010363400000000 ] - [ 0.0021140900000000, -0.0012918500000000, 0.0001991200000000 ] - [ 0.0019966100000000, -0.0008281500000000, -0.0000451400000000 ] - [ -0.0012782200000000, 0.0003828700000000, -0.0007484400000000 ] - [ -0.0014950100000000, -0.0017191300000000, 0.0001570300000000 ] - [ 0.0030440400000000, 0.0011519300000000, -0.0000798300000000 ] - [ 0.0030556600000000, 0.0022956900000000, 0.0005010300000000 ] - [ -0.0020021800000000, -0.0014991300000000, -0.0029576300000000 ] - [ 0.0000869400000000, 0.0008037000000000, -0.0004945100000000 ] - [ 0.0009016900000000, 0.0003086200000000, -0.0000264300000000 ] - [ 0.0008473000000000, 0.0002761900000000, -0.0000656800000000 ] - [ 0.0002704600000000, -0.0000204200000000, 0.0004897200000000 ] - [ 0.0002518200000000, 0.0000038700000000, 0.0007808900000000 ] - [ 0.0012090800000000, -0.0004377600000000, -0.0000591400000000 ] - [ 0.0007572400000000, -0.0001726500000000, -0.0000571100000000 ] - [ -0.0012385800000000, 0.0002378400000000, -0.0000515200000000 ] - [ -0.0007540900000000, 0.0010398000000000, 0.0004588300000000 ] - [ 0.0021832800000000, 0.0006084000000000, 0.0000003400000000 ] - [ 0.0013902700000000, 0.0010425000000000, -0.0000456700000000 ] - [ 0.0011355800000000, -0.0002487300000000, 0.0002222500000000 ] - [ 0.0018623200000000, -0.0012437500000000, -0.0001510400000000 ]- atom: 59 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0018255100000000, 0.0000000000000000, 0.0032254500000000 ] - [ 0.0004526000000000, 0.0000000000000000, 0.0005153100000000 ] - [ 0.0016357300000000, 0.0002741400000000, 0.0005897200000000 ] - [ 0.0016357300000000, -0.0002741400000000, 0.0005897200000000 ] - [ -0.0005549600000000, -0.0000097900000000, -0.0005797800000000 ] - [ -0.0005549600000000, 0.0000097900000000, -0.0005797800000000 ] - [ -0.0000092600000000, 0.0000000000000000, -0.0012867400000000 ] - [ 0.0003896900000000, 0.0000000000000000, -0.0002705500000000 ] - [ -0.0006418500000000, 0.0000000000000000, 0.0019475500000000 ] - [ -0.0007782800000000, 0.0000000000000000, 0.0000530700000000 ] - [ -0.0012515700000000, 0.0000000000000000, -0.0000373000000000 ] - [ -0.0008053100000000, 0.0000000000000000, -0.0002253400000000 ] - [ -0.0025241500000000, 0.0037234900000000, 0.0003604100000000 ] - [ -0.0025241500000000, -0.0037234900000000, 0.0003604100000000 ] - [ -0.0016605500000000, 0.0024614200000000, 0.0022976400000000 ] - [ -0.0016605500000000, -0.0024614200000000, 0.0022976400000000 ] - [ 0.0134505000000000, 0.0000000000000000, 0.0009441600000000 ] - [ 0.0013928900000000, 0.0000000000000000, 0.0002537000000000 ] - [ 0.0086465600000000, 0.0000000000000000, -0.0025695200000000 ] - [ 0.0024650900000000, 0.0000000000000000, 0.0002385200000000 ] - [ -0.0022405100000000, -0.0024476500000000, -0.0014228100000000 ] - [ -0.0022405100000000, 0.0024476500000000, -0.0014228100000000 ] - [ -0.0024756100000000, -0.0036619300000000, 0.0013964000000000 ] - [ -0.0024756100000000, 0.0036619300000000, 0.0013964000000000 ] - [ -0.0004853100000000, 0.0000000000000000, 0.0011488700000000 ] - [ -0.0006061900000000, 0.0000000000000000, 0.0007729600000000 ] - [ -0.0010235000000000, 0.0000000000000000, -0.0008910500000000 ] - [ -0.0005992900000000, 0.0000000000000000, -0.0004941700000000 ] - [ -0.0004481100000000, -0.0000614000000000, -0.0010299200000000 ] - [ -0.0004481100000000, 0.0000614000000000, -0.0010299200000000 ] - [ -0.0008717600000000, -0.0000750700000000, -0.0011567700000000 ] - [ -0.0008717600000000, 0.0000750700000000, -0.0011567700000000 ] - [ 0.0018106700000000, 0.0000000000000000, -0.0051016400000000 ] - [ -0.0006338600000000, 0.0000000000000000, -0.0001536300000000 ] - [ 0.0004773200000000, -0.0004281300000000, -0.0000260100000000 ] - [ 0.0004923200000000, -0.0004697700000000, 0.0000178300000000 ] - [ 0.0004923200000000, 0.0004697700000000, 0.0000178300000000 ] - [ 0.0004773200000000, 0.0004281300000000, -0.0000260100000000 ] - [ 0.0005489100000000, -0.0003248600000000, 0.0008743700000000 ] - [ 0.0005489100000000, 0.0003248600000000, 0.0008743700000000 ] - [ 0.0006758400000000, -0.0001722700000000, -0.0016070900000000 ] - [ 0.0006758400000000, 0.0001722700000000, -0.0016070900000000 ] - [ 0.0000949200000000, -0.0004839100000000, -0.0008662400000000 ] - [ 0.0000949200000000, 0.0004839100000000, -0.0008662400000000 ] - [ 0.0004300900000000, 0.0000000000000000, -0.0012222900000000 ] - [ 0.0001132800000000, 0.0000000000000000, -0.0003096200000000 ] - [ 0.0008075700000000, -0.0005452200000000, 0.0000794000000000 ] - [ 0.0009438700000000, -0.0003108100000000, 0.0001225500000000 ] - [ 0.0003593900000000, -0.0004897100000000, -0.0003887100000000 ] - [ 0.0007410900000000, -0.0003512700000000, -0.0007243200000000 ] - [ -0.0010109000000000, -0.0010599000000000, 0.0001239700000000 ] - [ 0.0025031900000000, 0.0043517200000000, 0.0055602400000000 ] - [ 0.0007410900000000, 0.0003512700000000, -0.0007243200000000 ] - [ 0.0003593900000000, 0.0004897100000000, -0.0003887100000000 ] - [ 0.0009438700000000, 0.0003108100000000, 0.0001225500000000 ] - [ 0.0008075700000000, 0.0005452200000000, 0.0000794000000000 ] - [ -0.0006852300000000, -0.0007297100000000, -0.0002881200000000 ] - [ 0.0010368000000000, 0.0035479000000000, -0.0066965700000000 ] - [ -0.0285294000000000, 0.0000000000000000, 0.0061275600000000 ] - [ -0.0000167300000000, 0.0000000000000000, -0.0004083600000000 ] - [ 0.0010368000000000, -0.0035479000000000, -0.0066965700000000 ] - [ -0.0006852300000000, 0.0007297100000000, -0.0002881200000000 ] - [ 0.0025031900000000, -0.0043517200000000, 0.0055602400000000 ] - [ -0.0010109000000000, 0.0010599000000000, 0.0001239700000000 ] - [ -0.0000071100000000, 0.0029773500000000, 0.0056776900000000 ] - [ -0.0006165000000000, -0.0007251900000000, 0.0002152700000000 ] - [ -0.0006165000000000, 0.0007251900000000, 0.0002152700000000 ] - [ -0.0000071100000000, -0.0029773500000000, 0.0056776900000000 ] - [ -0.0000540000000000, 0.0002203100000000, 0.0013832300000000 ] - [ -0.0000540000000000, -0.0002203100000000, 0.0013832300000000 ] - [ -0.0008177500000000, 0.0007846800000000, -0.0003760300000000 ] - [ 0.0029124200000000, -0.0042870700000000, -0.0061097400000000 ] - [ 0.0029124200000000, 0.0042870700000000, -0.0061097400000000 ] - [ -0.0008177500000000, -0.0007846800000000, -0.0003760300000000 ] - [ 0.0013648100000000, 0.0000000000000000, 0.0000670000000000 ] - [ -0.0001355400000000, 0.0000000000000000, -0.0004981500000000 ] - [ 0.0005631600000000, 0.0000000000000000, 0.0009222700000000 ] - [ 0.0003762600000000, 0.0000000000000000, 0.0008159100000000 ] - [ -0.0000080800000000, 0.0000000000000000, 0.0005068900000000 ] - [ -0.0001557100000000, 0.0000000000000000, 0.0003053700000000 ] - [ 0.0002374300000000, 0.0005099900000000, -0.0002800800000000 ] - [ 0.0002374300000000, -0.0005099900000000, -0.0002800800000000 ] - [ 0.0008037800000000, -0.0002325700000000, -0.0007346100000000 ] - [ 0.0007016300000000, -0.0006724900000000, -0.0003920800000000 ] - [ 0.0005994300000000, -0.0000600100000000, 0.0001567400000000 ] - [ 0.0006374700000000, -0.0003608200000000, 0.0000245100000000 ] - [ 0.0000562400000000, -0.0000285100000000, 0.0000609700000000 ] - [ -0.0000048200000000, -0.0000018300000000, 0.0000359400000000 ] - [ 0.0006374700000000, 0.0003608200000000, 0.0000245100000000 ] - [ 0.0005994300000000, 0.0000600100000000, 0.0001567400000000 ] - [ 0.0007016300000000, 0.0006724900000000, -0.0003920800000000 ] - [ 0.0008037800000000, 0.0002325700000000, -0.0007346100000000 ] - [ 0.0002428100000000, -0.0000185000000000, 0.0002305100000000 ] - [ 0.0001980200000000, 0.0000234200000000, 0.0002222300000000 ] - [ 0.0002793700000000, 0.0000176600000000, 0.0004733700000000 ] - [ 0.0002793700000000, -0.0000176600000000, 0.0004733700000000 ] - [ 0.0001980200000000, -0.0000234200000000, 0.0002222300000000 ] - [ 0.0002428100000000, 0.0000185000000000, 0.0002305100000000 ] - [ -0.0000048200000000, 0.0000018300000000, 0.0000359400000000 ] - [ 0.0000562400000000, 0.0000285100000000, 0.0000609700000000 ] - [ 0.0001261400000000, 0.0000117100000000, 0.0002385100000000 ] - [ -0.0001147800000000, -0.0001511400000000, 0.0003492800000000 ] - [ -0.0001147800000000, 0.0001511400000000, 0.0003492800000000 ] - [ 0.0001261400000000, -0.0000117100000000, 0.0002385100000000 ]- atom: 59 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0021081400000000, 0.0000000000000000, -0.0035254700000000 ] - [ -0.0001417000000000, 0.0000000000000000, -0.0008403200000000 ] - [ -0.0005918300000000, -0.0002450100000000, -0.0004779100000000 ] - [ -0.0005918300000000, 0.0002450100000000, -0.0004779100000000 ] - [ 0.0008506400000000, 0.0000188000000000, 0.0002804100000000 ] - [ 0.0008506400000000, -0.0000188000000000, 0.0002804100000000 ] - [ 0.0010415900000000, 0.0000000000000000, 0.0014377600000000 ] - [ 0.0006668400000000, 0.0000000000000000, 0.0004096500000000 ] - [ 0.0002836800000000, 0.0000000000000000, -0.0023971700000000 ] - [ 0.0004061600000000, 0.0000000000000000, -0.0003959500000000 ] - [ 0.0019299500000000, 0.0000000000000000, 0.0003398500000000 ] - [ 0.0014770500000000, 0.0000000000000000, 0.0005453500000000 ] - [ 0.0027410100000000, -0.0037481900000000, 0.0009394800000000 ] - [ 0.0027410100000000, 0.0037481900000000, 0.0009394800000000 ] - [ 0.0026002900000000, -0.0024564900000000, -0.0022837900000000 ] - [ 0.0026002900000000, 0.0024564900000000, -0.0022837900000000 ] - [ -0.0136044300000000, 0.0000000000000000, -0.0024634000000000 ] - [ -0.0014913800000000, 0.0000000000000000, -0.0004839300000000 ] - [ -0.0088434500000000, 0.0000000000000000, 0.0031991800000000 ] - [ -0.0024710200000000, 0.0000000000000000, -0.0006078200000000 ] - [ 0.0018524400000000, 0.0024417800000000, 0.0010658000000000 ] - [ 0.0018524400000000, -0.0024417800000000, 0.0010658000000000 ] - [ 0.0030949500000000, 0.0036479300000000, -0.0010839000000000 ] - [ 0.0030949500000000, -0.0036479300000000, -0.0010839000000000 ] - [ 0.0006781600000000, 0.0000000000000000, 0.0002725600000000 ] - [ 0.0007925100000000, 0.0000000000000000, 0.0005321400000000 ] - [ 0.0019398900000000, 0.0000000000000000, 0.0009223000000000 ] - [ 0.0015150800000000, 0.0000000000000000, 0.0005101000000000 ] - [ 0.0003401800000000, 0.0000793800000000, 0.0008127200000000 ] - [ 0.0003401800000000, -0.0000793800000000, 0.0008127200000000 ] - [ 0.0008750700000000, 0.0000853300000000, 0.0007741800000000 ] - [ 0.0008750700000000, -0.0000853300000000, 0.0007741800000000 ] - [ -0.0026819500000000, 0.0000000000000000, 0.0057875100000000 ] - [ -0.0002733200000000, 0.0000000000000000, 0.0005514600000000 ] - [ -0.0005599500000000, 0.0002232300000000, -0.0002429800000000 ] - [ -0.0005762800000000, 0.0002664200000000, -0.0002874100000000 ] - [ -0.0005762800000000, -0.0002664200000000, -0.0002874100000000 ] - [ -0.0005599500000000, -0.0002232300000000, -0.0002429800000000 ] - [ -0.0006709100000000, 0.0003245700000000, -0.0012905700000000 ] - [ -0.0006709100000000, -0.0003245700000000, -0.0012905700000000 ] - [ -0.0004899100000000, 0.0001732600000000, 0.0024107900000000 ] - [ -0.0004899100000000, -0.0001732600000000, 0.0024107900000000 ] - [ -0.0006306900000000, 0.0004819400000000, 0.0010678100000000 ] - [ -0.0006306900000000, -0.0004819400000000, 0.0010678100000000 ] - [ -0.0004291100000000, 0.0000000000000000, 0.0004210100000000 ] - [ -0.0001068700000000, 0.0000000000000000, -0.0005503500000000 ] - [ -0.0005528800000000, 0.0004738500000000, -0.0002786000000000 ] - [ -0.0006940500000000, 0.0002417500000000, -0.0003230000000000 ] - [ -0.0004548200000000, 0.0006988000000000, 0.0001210100000000 ] - [ -0.0008533700000000, 0.0005778600000000, 0.0004652200000000 ] - [ 0.0006009100000000, 0.0006842900000000, 0.0000213600000000 ] - [ -0.0029299300000000, -0.0047825900000000, -0.0054811200000000 ] - [ -0.0008533700000000, -0.0005778600000000, 0.0004652200000000 ] - [ -0.0004548200000000, -0.0006988000000000, 0.0001210100000000 ] - [ -0.0006940500000000, -0.0002417500000000, -0.0003230000000000 ] - [ -0.0005528800000000, -0.0004738500000000, -0.0002786000000000 ] - [ 0.0002557400000000, 0.0002866800000000, 0.0002497200000000 ] - [ -0.0014494100000000, -0.0040135800000000, 0.0067170700000000 ] - [ 0.0291176500000000, 0.0000000000000000, -0.0058770300000000 ] - [ 0.0004354200000000, 0.0000000000000000, 0.0002783200000000 ] - [ -0.0014494100000000, 0.0040135800000000, 0.0067170700000000 ] - [ 0.0002557400000000, -0.0002866800000000, 0.0002497200000000 ] - [ -0.0029299300000000, 0.0047825900000000, -0.0054811200000000 ] - [ 0.0006009100000000, -0.0006842900000000, 0.0000213600000000 ] - [ -0.0000960800000000, -0.0032124600000000, -0.0052738200000000 ] - [ 0.0005279100000000, 0.0004643800000000, 0.0001525200000000 ] - [ 0.0005279100000000, -0.0004643800000000, 0.0001525200000000 ] - [ -0.0000960800000000, 0.0032124600000000, -0.0052738200000000 ] - [ -0.0008538200000000, -0.0002210900000000, -0.0009685900000000 ] - [ -0.0008538200000000, 0.0002210900000000, -0.0009685900000000 ] - [ 0.0007366500000000, -0.0009888700000000, 0.0001041800000000 ] - [ -0.0029740400000000, 0.0040266900000000, 0.0057674900000000 ] - [ -0.0029740400000000, -0.0040266900000000, 0.0057674900000000 ] - [ 0.0007366500000000, 0.0009888700000000, 0.0001041800000000 ] - [ -0.0014558400000000, 0.0000000000000000, -0.0007196800000000 ] - [ 0.0000214200000000, 0.0000000000000000, 0.0000956600000000 ] - [ -0.0003780300000000, 0.0000000000000000, -0.0001181400000000 ] - [ -0.0001938100000000, 0.0000000000000000, -0.0000150900000000 ] - [ -0.0005146100000000, 0.0000000000000000, -0.0003645100000000 ] - [ -0.0003803600000000, 0.0000000000000000, -0.0001175400000000 ] - [ -0.0002357400000000, -0.0005136100000000, -0.0005702500000000 ] - [ -0.0002357400000000, 0.0005136100000000, -0.0005702500000000 ] - [ -0.0005160800000000, 0.0001283700000000, 0.0005172700000000 ] - [ -0.0004349700000000, 0.0005930000000000, 0.0001919000000000 ] - [ -0.0006859300000000, 0.0002665400000000, -0.0004192800000000 ] - [ -0.0007297700000000, 0.0005713100000000, -0.0002889700000000 ] - [ -0.0004831200000000, -0.0003691400000000, 0.0000809100000000 ] - [ -0.0004037800000000, -0.0003733400000000, 0.0001094600000000 ] - [ -0.0007297700000000, -0.0005713100000000, -0.0002889700000000 ] - [ -0.0006859300000000, -0.0002665400000000, -0.0004192800000000 ] - [ -0.0004349700000000, -0.0005930000000000, 0.0001919000000000 ] - [ -0.0005160800000000, -0.0001283700000000, 0.0005172700000000 ] - [ -0.0006705500000000, -0.0004259600000000, -0.0002703000000000 ] - [ -0.0006260600000000, -0.0004635300000000, -0.0002626800000000 ] - [ 0.0001376900000000, -0.0000196500000000, -0.0006042500000000 ] - [ 0.0001376900000000, 0.0000196500000000, -0.0006042500000000 ] - [ -0.0006260600000000, 0.0004635300000000, -0.0002626800000000 ] - [ -0.0006705500000000, 0.0004259600000000, -0.0002703000000000 ] - [ -0.0004037800000000, 0.0003733400000000, 0.0001094600000000 ] - [ -0.0004831200000000, 0.0003691400000000, 0.0000809100000000 ] - [ -0.0002166600000000, -0.0002781900000000, 0.0001242400000000 ] - [ 0.0000433300000000, -0.0000950900000000, 0.0000206600000000 ] - [ 0.0000433300000000, 0.0000950900000000, 0.0000206600000000 ] - [ -0.0002166600000000, 0.0002781900000000, 0.0001242400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001422000000000, 0.0028199300000000, -0.0001519800000000 ] - [ 0.0001584900000000, -0.0011155400000000, -0.0001586700000000 ] - [ 0.0003733000000000, -0.0008462500000000, -0.0012370200000000 ] - [ 0.0006655800000000, -0.0008832000000000, 0.0013418500000000 ] - [ 0.0001797300000000, 0.0000145200000000, -0.0001285000000000 ] - [ 0.0001299400000000, 0.0000058000000000, -0.0001666700000000 ] - [ 0.0005126400000000, 0.0016568000000000, 0.0000731800000000 ] - [ 0.0005219700000000, -0.0007309100000000, 0.0000671600000000 ] - [ -0.0001816200000000, 0.0017119100000000, -0.0002173100000000 ] - [ -0.0001860400000000, -0.0012693000000000, -0.0001698200000000 ] - [ 0.0003375200000000, 0.0012576800000000, 0.0001505600000000 ] - [ 0.0003334300000000, -0.0013285800000000, 0.0001581700000000 ] - [ 0.0034296100000000, -0.0034782700000000, 0.0012489400000000 ] - [ -0.0032260600000000, -0.0034617000000000, 0.0000469300000000 ] - [ 0.0029189700000000, -0.0021131400000000, -0.0007175700000000 ] - [ -0.0019692600000000, -0.0021182200000000, 0.0007354200000000 ] - [ -0.0000621900000000, 0.0140717200000000, -0.0007747100000000 ] - [ -0.0000472300000000, -0.0030042100000000, -0.0001168900000000 ] - [ -0.0000480600000000, 0.0082918800000000, 0.0003179000000000 ] - [ -0.0000016200000000, -0.0028968300000000, -0.0001823000000000 ] - [ -0.0037998000000000, -0.0030339900000000, -0.0011191700000000 ] - [ 0.0033946000000000, -0.0030219000000000, 0.0007687700000000 ] - [ -0.0021047200000000, -0.0025438900000000, 0.0005139000000000 ] - [ 0.0027260100000000, -0.0025403400000000, -0.0001979100000000 ] - [ 0.0000964000000000, 0.0017786700000000, 0.0007090600000000 ] - [ 0.0000851800000000, -0.0014332400000000, 0.0006468300000000 ] - [ 0.0004626200000000, 0.0013419500000000, 0.0000212500000000 ] - [ 0.0004577800000000, -0.0013618500000000, 0.0000095100000000 ] - [ 0.0000059600000000, -0.0001518200000000, 0.0003934800000000 ] - [ -0.0001128600000000, -0.0001662600000000, -0.0006105000000000 ] - [ -0.0000800500000000, -0.0000532900000000, -0.0011242000000000 ] - [ 0.0000866000000000, -0.0000648100000000, 0.0007392000000000 ] - [ -0.0004445100000000, 0.0026058500000000, 0.0003381700000000 ] - [ -0.0004552800000000, 0.0003423700000000, 0.0001989900000000 ] - [ 0.0001325800000000, -0.0003810300000000, -0.0000320900000000 ] - [ -0.0003382500000000, 0.0002783500000000, -0.0003146700000000 ] - [ 0.0002627900000000, 0.0004822700000000, 0.0000360100000000 ] - [ -0.0002031100000000, -0.0001706100000000, -0.0002462500000000 ] - [ -0.0005669500000000, 0.0003286400000000, -0.0011534000000000 ] - [ 0.0004474400000000, 0.0003281400000000, 0.0007366700000000 ] - [ 0.0000228200000000, 0.0006900900000000, 0.0005340700000000 ] - [ 0.0001612300000000, 0.0006872600000000, 0.0002727200000000 ] - [ -0.0008272200000000, 0.0002691300000000, 0.0005466400000000 ] - [ 0.0002887400000000, 0.0002727200000000, -0.0003513700000000 ] - [ 0.0000022100000000, 0.0000455000000000, -0.0004101100000000 ] - [ 0.0000045200000000, 0.0001711400000000, -0.0004353300000000 ] - [ -0.0005868500000000, 0.0007635200000000, -0.0002119400000000 ] - [ 0.0008624100000000, -0.0006551400000000, -0.0000331600000000 ] - [ -0.0007979900000000, 0.0011922600000000, -0.0000066700000000 ] - [ 0.0006622700000000, -0.0006294000000000, -0.0001014000000000 ] - [ 0.0003148000000000, 0.0010278800000000, -0.0001831300000000 ] - [ 0.0050066800000000, 0.0018617100000000, 0.0053710800000000 ] - [ -0.0007635900000000, -0.0008513000000000, -0.0001507100000000 ] - [ 0.0007127300000000, 0.0009853100000000, -0.0002509000000000 ] - [ -0.0006128200000000, -0.0005885600000000, -0.0001753800000000 ] - [ 0.0008443300000000, 0.0008348500000000, 0.0000015300000000 ] - [ 0.0001186900000000, 0.0008572100000000, 0.0000447900000000 ] - [ 0.0029445100000000, 0.0002905900000000, -0.0059929800000000 ] - [ 0.0002363400000000, -0.0267095700000000, 0.0001077100000000 ] - [ 0.0002084600000000, 0.0005671600000000, -0.0000569600000000 ] - [ -0.0034021900000000, 0.0007170600000000, 0.0060197200000000 ] - [ -0.0005518500000000, 0.0012991300000000, -0.0000691100000000 ] - [ -0.0054696200000000, 0.0022384500000000, -0.0052910000000000 ] - [ -0.0007372900000000, 0.0014064900000000, 0.0003147700000000 ] - [ 0.0037558200000000, 0.0020198500000000, 0.0062475300000000 ] - [ 0.0005302300000000, 0.0010998700000000, 0.0000955700000000 ] - [ -0.0006274800000000, 0.0013657900000000, 0.0002836200000000 ] - [ -0.0038110000000000, 0.0022822400000000, -0.0058177200000000 ] - [ -0.0000025300000000, 0.0003902900000000, 0.0016222900000000 ] - [ -0.0009041300000000, 0.0003882600000000, -0.0012002000000000 ] - [ -0.0006247600000000, 0.0010967100000000, -0.0002603900000000 ] - [ -0.0037876100000000, 0.0001714700000000, 0.0053950200000000 ] - [ 0.0037643400000000, 0.0003774800000000, -0.0057297000000000 ] - [ 0.0005559000000000, 0.0013066000000000, -0.0000214700000000 ] - [ -0.0000439000000000, 0.0007908000000000, -0.0003371000000000 ] - [ -0.0000571200000000, 0.0005683000000000, -0.0002021200000000 ] - [ 0.0000922700000000, -0.0002457500000000, 0.0004060200000000 ] - [ 0.0000915000000000, 0.0003044800000000, 0.0004010200000000 ] - [ -0.0002612200000000, -0.0001221100000000, 0.0000687800000000 ] - [ -0.0002679000000000, 0.0001796300000000, 0.0000948400000000 ] - [ 0.0005085400000000, 0.0002772800000000, -0.0004794000000000 ] - [ -0.0005008800000000, 0.0002829100000000, -0.0003925200000000 ] - [ 0.0006572700000000, -0.0005754700000000, 0.0000525700000000 ] - [ -0.0005480500000000, 0.0009302600000000, -0.0000130500000000 ] - [ 0.0008081300000000, -0.0005918100000000, -0.0001024400000000 ] - [ -0.0008948900000000, 0.0009770700000000, -0.0001612700000000 ] - [ -0.0004093700000000, -0.0006589200000000, 0.0002440800000000 ] - [ -0.0000510600000000, 0.0002249500000000, -0.0001206100000000 ] - [ 0.0008147700000000, 0.0007713500000000, -0.0000937000000000 ] - [ -0.0008824300000000, -0.0007924600000000, -0.0001525400000000 ] - [ 0.0008137600000000, 0.0010070000000000, -0.0001962700000000 ] - [ -0.0003665700000000, -0.0004722400000000, -0.0002750100000000 ] - [ -0.0002798700000000, -0.0004740000000000, -0.0000374800000000 ] - [ -0.0000364200000000, 0.0001072300000000, 0.0001069300000000 ] - [ 0.0001892200000000, 0.0000289400000000, 0.0000330100000000 ] - [ 0.0002259400000000, 0.0000307800000000, -0.0001495100000000 ] - [ -0.0003934200000000, 0.0005463000000000, -0.0001358600000000 ] - [ -0.0001493400000000, -0.0000309100000000, 0.0000078000000000 ] - [ -0.0003671800000000, 0.0006019500000000, 0.0002552500000000 ] - [ -0.0000280900000000, -0.0002560400000000, -0.0001110600000000 ] - [ 0.0001214700000000, 0.0001527400000000, 0.0001412900000000 ] - [ -0.0000494500000000, -0.0003135400000000, 0.0004841200000000 ] - [ -0.0000364100000000, -0.0000609300000000, -0.0001060600000000 ] - [ -0.0002231400000000, 0.0004228200000000, 0.0002305500000000 ]- atom: 59 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0177467800000000, 0.0000000000000000, -0.0120090200000000 ] - [ 0.0015100800000000, 0.0000000000000000, -0.0020819200000000 ] - [ 0.0015003200000000, -0.0068013400000000, -0.0059855700000000 ] - [ 0.0015003200000000, 0.0068013400000000, -0.0059855700000000 ] - [ -0.0025990100000000, 0.0003030300000000, -0.0014094300000000 ] - [ -0.0025990100000000, -0.0003030300000000, -0.0014094300000000 ] - [ -0.0066260500000000, 0.0000000000000000, -0.0032558400000000 ] - [ -0.0001208900000000, 0.0000000000000000, -0.0010875300000000 ] - [ 0.0045185600000000, 0.0000000000000000, -0.0230184300000000 ] - [ 0.0031835500000000, 0.0000000000000000, -0.0012429300000000 ] - [ -0.0040955800000000, 0.0000000000000000, -0.0035906200000000 ] - [ -0.0036626100000000, 0.0000000000000000, -0.0002345500000000 ] - [ -0.0099618300000000, 0.0115140200000000, 0.0056705100000000 ] - [ -0.0099618300000000, -0.0115140200000000, 0.0056705100000000 ] - [ 0.0163930400000000, -0.0090175800000000, 0.0018603700000000 ] - [ 0.0163930400000000, 0.0090175800000000, 0.0018603700000000 ] - [ -0.0041908100000000, 0.0000000000000000, 0.0998612800000000 ] - [ 0.0024031100000000, 0.0000000000000000, 0.0026290500000000 ] - [ -0.0067055300000000, 0.0000000000000000, 0.0230232900000000 ] - [ 0.0017944100000000, 0.0000000000000000, 0.0018147600000000 ] - [ -0.0155779300000000, -0.0123218400000000, 0.0045406900000000 ] - [ -0.0155779300000000, 0.0123218400000000, 0.0045406900000000 ] - [ 0.0192246300000000, 0.0140573000000000, 0.0035133400000000 ] - [ 0.0192246300000000, -0.0140573000000000, 0.0035133400000000 ] - [ 0.0033845300000000, 0.0000000000000000, -0.0150381400000000 ] - [ 0.0027613600000000, 0.0000000000000000, -0.0007375400000000 ] - [ -0.0043111200000000, 0.0000000000000000, -0.0039167300000000 ] - [ -0.0040066900000000, 0.0000000000000000, -0.0008679100000000 ] - [ -0.0035030600000000, 0.0030982400000000, -0.0037595000000000 ] - [ -0.0035030600000000, -0.0030982400000000, -0.0037595000000000 ] - [ -0.0041814000000000, -0.0009861900000000, -0.0056591000000000 ] - [ -0.0041814000000000, 0.0009861900000000, -0.0056591000000000 ] - [ 0.0005195000000000, 0.0000000000000000, 0.0522787800000000 ] - [ -0.0010636500000000, 0.0000000000000000, 0.0015546900000000 ] - [ 0.0025525100000000, -0.0019073200000000, 0.0005472400000000 ] - [ 0.0020074800000000, -0.0014889300000000, 0.0005483100000000 ] - [ 0.0020074800000000, 0.0014889300000000, 0.0005483100000000 ] - [ 0.0025525100000000, 0.0019073200000000, 0.0005472400000000 ] - [ 0.0019514700000000, -0.0014824900000000, 0.0020348000000000 ] - [ 0.0019514700000000, 0.0014824900000000, 0.0020348000000000 ] - [ -0.0044999200000000, 0.0006134500000000, 0.0055365200000000 ] - [ -0.0044999200000000, -0.0006134500000000, 0.0055365200000000 ] - [ -0.0003855800000000, 0.0001030800000000, -0.0074300700000000 ] - [ -0.0003855800000000, -0.0001030800000000, -0.0074300700000000 ] - [ -0.0005727500000000, 0.0000000000000000, 0.0072986300000000 ] - [ 0.0000438800000000, 0.0000000000000000, -0.0006848200000000 ] - [ 0.0028611800000000, -0.0020175300000000, 0.0000613200000000 ] - [ 0.0026388200000000, -0.0004036500000000, 0.0000253200000000 ] - [ -0.0027435600000000, 0.0027728000000000, 0.0004585600000000 ] - [ -0.0074642700000000, 0.0044621200000000, 0.0020057200000000 ] - [ -0.0013638100000000, -0.0023335300000000, 0.0001128600000000 ] - [ 0.0182351100000000, 0.0150163000000000, 0.0036981000000000 ] - [ -0.0074642700000000, -0.0044621200000000, 0.0020057200000000 ] - [ -0.0027435600000000, -0.0027728000000000, 0.0004585600000000 ] - [ 0.0026388200000000, 0.0004036500000000, 0.0000253200000000 ] - [ 0.0028611800000000, 0.0020175300000000, 0.0000613200000000 ] - [ -0.0020322800000000, 0.0006430300000000, 0.0001922400000000 ] - [ -0.0224848000000000, -0.0227055300000000, 0.0133141600000000 ] - [ 0.0205374400000000, 0.0000000000000000, -0.2555985300000000 ] - [ 0.0000426400000000, 0.0000000000000000, -0.0041109200000000 ] - [ -0.0224848000000000, 0.0227055300000000, 0.0133141600000000 ] - [ -0.0020322800000000, -0.0006430300000000, 0.0001922400000000 ] - [ 0.0182351100000000, -0.0150163000000000, 0.0036981000000000 ] - [ -0.0013638100000000, 0.0023335300000000, 0.0001128600000000 ] - [ 0.0224716700000000, 0.0236573600000000, 0.0038680300000000 ] - [ -0.0009495500000000, -0.0029268600000000, -0.0000557200000000 ] - [ -0.0009495500000000, 0.0029268600000000, -0.0000557200000000 ] - [ 0.0224716700000000, -0.0236573600000000, 0.0038680300000000 ] - [ 0.0018394200000000, 0.0013948500000000, 0.0048445700000000 ] - [ 0.0018394200000000, -0.0013948500000000, 0.0048445700000000 ] - [ -0.0010056500000000, -0.0011424100000000, 0.0001953700000000 ] - [ -0.0268088900000000, 0.0230481500000000, 0.0114369100000000 ] - [ -0.0268088900000000, -0.0230481500000000, 0.0114369100000000 ] - [ -0.0010056500000000, 0.0011424100000000, 0.0001953700000000 ] - [ -0.0058610700000000, 0.0000000000000000, 0.0343583800000000 ] - [ -0.0006908400000000, 0.0000000000000000, 0.0012121600000000 ] - [ 0.0018321100000000, 0.0000000000000000, 0.0030317200000000 ] - [ 0.0011211900000000, 0.0000000000000000, 0.0014719300000000 ] - [ -0.0015910400000000, 0.0000000000000000, 0.0057595600000000 ] - [ -0.0001962300000000, 0.0000000000000000, 0.0000684100000000 ] - [ -0.0000459400000000, -0.0003275900000000, -0.0094856200000000 ] - [ -0.0000459400000000, 0.0003275900000000, -0.0094856200000000 ] - [ -0.0064527600000000, 0.0034392600000000, 0.0029660700000000 ] - [ -0.0035199600000000, 0.0022337800000000, 0.0013372300000000 ] - [ 0.0030121500000000, -0.0010809900000000, 0.0001332200000000 ] - [ 0.0037064600000000, -0.0026247800000000, 0.0001499200000000 ] - [ 0.0014777600000000, 0.0016484700000000, 0.0018669900000000 ] - [ -0.0001735900000000, -0.0011098300000000, 0.0011688900000000 ] - [ 0.0037064600000000, 0.0026247800000000, 0.0001499200000000 ] - [ 0.0030121500000000, 0.0010809900000000, 0.0001332200000000 ] - [ -0.0035199600000000, -0.0022337800000000, 0.0013372300000000 ] - [ -0.0064527600000000, -0.0034392600000000, 0.0029660700000000 ] - [ 0.0019849800000000, 0.0003088300000000, 0.0010212000000000 ] - [ 0.0018193800000000, 0.0011977200000000, 0.0006031800000000 ] - [ 0.0006181500000000, -0.0000849400000000, 0.0031832900000000 ] - [ 0.0006181500000000, 0.0000849400000000, 0.0031832900000000 ] - [ 0.0018193800000000, -0.0011977200000000, 0.0006031800000000 ] - [ 0.0019849800000000, -0.0003088300000000, 0.0010212000000000 ] - [ -0.0001735900000000, 0.0011098300000000, 0.0011688900000000 ] - [ 0.0014777600000000, -0.0016484700000000, 0.0018669900000000 ] - [ -0.0006787000000000, -0.0009201800000000, 0.0006943900000000 ] - [ 0.0032858400000000, 0.0032093000000000, 0.0027520700000000 ] - [ 0.0032858400000000, -0.0032093000000000, 0.0027520700000000 ] - [ -0.0006787000000000, 0.0009201800000000, 0.0006943900000000 ]- atom: 59 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0175303700000000, 0.0000000000000000, 0.0117521100000000 ] - [ -0.0012227700000000, 0.0000000000000000, 0.0017678000000000 ] - [ -0.0004621400000000, 0.0068307000000000, 0.0061443600000000 ] - [ -0.0004621400000000, -0.0068307000000000, 0.0061443600000000 ] - [ 0.0028821600000000, -0.0002969300000000, 0.0011132800000000 ] - [ 0.0028821600000000, 0.0002969300000000, 0.0011132800000000 ] - [ 0.0077169300000000, 0.0000000000000000, 0.0033774700000000 ] - [ 0.0011987100000000, 0.0000000000000000, 0.0012247200000000 ] - [ -0.0048984500000000, 0.0000000000000000, 0.0228680000000000 ] - [ -0.0035641500000000, 0.0000000000000000, 0.0009074900000000 ] - [ 0.0047527300000000, 0.0000000000000000, 0.0039357900000000 ] - [ 0.0043322300000000, 0.0000000000000000, 0.0005530700000000 ] - [ 0.0101392900000000, -0.0115032100000000, -0.0044074300000000 ] - [ 0.0101392900000000, 0.0115032100000000, -0.0044074300000000 ] - [ -0.0155197000000000, 0.0090043100000000, -0.0017638500000000 ] - [ -0.0155197000000000, -0.0090043100000000, -0.0017638500000000 ] - [ 0.0047304000000000, 0.0000000000000000, -0.0919829800000000 ] - [ -0.0025172800000000, 0.0000000000000000, -0.0028401700000000 ] - [ 0.0062782400000000, 0.0000000000000000, -0.0281795900000000 ] - [ -0.0017737500000000, 0.0000000000000000, -0.0022192900000000 ] - [ 0.0152974300000000, 0.0124026800000000, -0.0048947500000000 ] - [ 0.0152974300000000, -0.0124026800000000, -0.0048947500000000 ] - [ -0.0186693800000000, -0.0141743600000000, -0.0033087100000000 ] - [ -0.0186693800000000, 0.0141743600000000, -0.0033087100000000 ] - [ -0.0031929300000000, 0.0000000000000000, 0.0163391300000000 ] - [ -0.0025895800000000, 0.0000000000000000, 0.0020410000000000 ] - [ 0.0052690300000000, 0.0000000000000000, 0.0039330800000000 ] - [ 0.0049406300000000, 0.0000000000000000, 0.0008822100000000 ] - [ 0.0034355000000000, -0.0031190400000000, 0.0035429200000000 ] - [ 0.0034355000000000, 0.0031190400000000, 0.0035429200000000 ] - [ 0.0041730400000000, 0.0009806900000000, 0.0053136400000000 ] - [ 0.0041730400000000, -0.0009806900000000, 0.0053136400000000 ] - [ -0.0013970400000000, 0.0000000000000000, -0.0525232500000000 ] - [ 0.0001548000000000, 0.0000000000000000, -0.0011474500000000 ] - [ -0.0026378700000000, 0.0017110200000000, -0.0008262300000000 ] - [ -0.0020910300000000, 0.0012884500000000, -0.0008285600000000 ] - [ -0.0020910300000000, -0.0012884500000000, -0.0008285600000000 ] - [ -0.0026378700000000, -0.0017110200000000, -0.0008262300000000 ] - [ -0.0020721800000000, 0.0014831400000000, -0.0024305000000000 ] - [ -0.0020721800000000, -0.0014831400000000, -0.0024305000000000 ] - [ 0.0047089300000000, -0.0005985400000000, -0.0047548800000000 ] - [ 0.0047089300000000, 0.0005985400000000, -0.0047548800000000 ] - [ -0.0001283800000000, -0.0001177500000000, 0.0076045500000000 ] - [ -0.0001283800000000, 0.0001177500000000, 0.0076045500000000 ] - [ 0.0005896000000000, 0.0000000000000000, -0.0082274100000000 ] - [ -0.0000349900000000, 0.0000000000000000, -0.0001794500000000 ] - [ -0.0026074000000000, 0.0019468900000000, -0.0002649100000000 ] - [ -0.0023759000000000, 0.0003267600000000, -0.0002279300000000 ] - [ 0.0026525700000000, -0.0025577400000000, -0.0007232500000000 ] - [ 0.0074159300000000, -0.0042807500000000, -0.0022900800000000 ] - [ 0.0009492500000000, 0.0019553300000000, 0.0000302600000000 ] - [ -0.0187381600000000, -0.0154625800000000, -0.0034461500000000 ] - [ 0.0074159300000000, 0.0042807500000000, -0.0022900800000000 ] - [ 0.0026525700000000, 0.0025577400000000, -0.0007232500000000 ] - [ -0.0023759000000000, -0.0003267600000000, -0.0002279300000000 ] - [ -0.0026074000000000, -0.0019468900000000, -0.0002649100000000 ] - [ 0.0016199200000000, -0.0010817500000000, -0.0002344900000000 ] - [ 0.0219560800000000, 0.0221251700000000, -0.0133585600000000 ] - [ -0.0205981400000000, 0.0000000000000000, 0.2528285200000000 ] - [ 0.0003733200000000, 0.0000000000000000, 0.0039947400000000 ] - [ 0.0219560800000000, -0.0221251700000000, -0.0133585600000000 ] - [ 0.0016199200000000, 0.0010817500000000, -0.0002344900000000 ] - [ -0.0187381600000000, 0.0154625800000000, -0.0034461500000000 ] - [ 0.0009492500000000, -0.0019553300000000, 0.0000302600000000 ] - [ -0.0225136500000000, -0.0238972200000000, -0.0036876400000000 ] - [ 0.0008607200000000, 0.0026763600000000, 0.0004234700000000 ] - [ 0.0008607200000000, -0.0026763600000000, 0.0004234700000000 ] - [ -0.0225136500000000, 0.0238972200000000, -0.0036876400000000 ] - [ -0.0027630300000000, -0.0014051400000000, -0.0044704000000000 ] - [ -0.0027630300000000, 0.0014051400000000, -0.0044704000000000 ] - [ 0.0009100900000000, 0.0009544600000000, -0.0004663300000000 ] - [ 0.0270558100000000, -0.0235973000000000, -0.0117723400000000 ] - [ 0.0270558100000000, 0.0235973000000000, -0.0117723400000000 ] - [ 0.0009100900000000, -0.0009544600000000, -0.0004663300000000 ] - [ 0.0056694000000000, 0.0000000000000000, -0.0345399900000000 ] - [ 0.0005751700000000, 0.0000000000000000, -0.0016261900000000 ] - [ -0.0016459900000000, 0.0000000000000000, -0.0022385000000000 ] - [ -0.0009347400000000, 0.0000000000000000, -0.0006717100000000 ] - [ 0.0010455800000000, 0.0000000000000000, -0.0055521900000000 ] - [ -0.0003401100000000, 0.0000000000000000, 0.0001238500000000 ] - [ 0.0000318700000000, 0.0003106300000000, 0.0087110600000000 ] - [ 0.0000318700000000, -0.0003106300000000, 0.0087110600000000 ] - [ 0.0067356000000000, -0.0035192700000000, -0.0031725900000000 ] - [ 0.0038151500000000, -0.0023360900000000, -0.0015491800000000 ] - [ -0.0031164900000000, 0.0012958700000000, -0.0003943000000000 ] - [ -0.0038047100000000, 0.0028419300000000, -0.0004077000000000 ] - [ -0.0018817300000000, -0.0020154200000000, -0.0017321200000000 ] - [ -0.0002349600000000, 0.0007389100000000, -0.0010351800000000 ] - [ -0.0038047100000000, -0.0028419300000000, -0.0004077000000000 ] - [ -0.0031164900000000, -0.0012958700000000, -0.0003943000000000 ] - [ 0.0038151500000000, 0.0023360900000000, -0.0015491800000000 ] - [ 0.0067356000000000, 0.0035192700000000, -0.0031725900000000 ] - [ -0.0024274400000000, -0.0007566700000000, -0.0010532100000000 ] - [ -0.0022587600000000, -0.0016445800000000, -0.0006324000000000 ] - [ -0.0002030500000000, 0.0000858600000000, -0.0033287900000000 ] - [ -0.0002030500000000, -0.0000858600000000, -0.0033287900000000 ] - [ -0.0022587600000000, 0.0016445800000000, -0.0006324000000000 ] - [ -0.0024274400000000, 0.0007566700000000, -0.0010532100000000 ] - [ -0.0002349600000000, -0.0007389100000000, -0.0010351800000000 ] - [ -0.0018817300000000, 0.0020154200000000, -0.0017321200000000 ] - [ 0.0005882000000000, 0.0006601100000000, -0.0003251300000000 ] - [ -0.0034147900000000, -0.0035022900000000, -0.0023963500000000 ] - [ -0.0034147900000000, 0.0035022900000000, -0.0023963500000000 ] - [ 0.0005882000000000, -0.0006601100000000, -0.0003251300000000 ]- atom: 65 displacement: [ 0.0099999387147734, 0.0000000000000000, -0.0000350100096675 ] forces: - [ -0.0044024200000000, -0.0003063600000000, 0.0059093800000000 ] - [ 0.0006051800000000, -0.0006946300000000, 0.0012472600000000 ] - [ 0.0103001600000000, 0.0099773700000000, 0.0067108300000000 ] - [ 0.0030788700000000, -0.0050237800000000, 0.0037017400000000 ] - [ -0.0060365200000000, 0.0003784400000000, -0.0048573000000000 ] - [ -0.0001564200000000, -0.0002472600000000, -0.0014680100000000 ] - [ -0.0023743500000000, 0.0005706200000000, -0.0015713300000000 ] - [ -0.0015105400000000, -0.0004378800000000, -0.0010669200000000 ] - [ -0.0087274500000000, -0.0002832900000000, -0.0040415300000000 ] - [ -0.0064410200000000, -0.0006395000000000, -0.0018349000000000 ] - [ -0.0026475700000000, 0.0026812800000000, -0.0039373200000000 ] - [ -0.0031893600000000, -0.0037114800000000, -0.0037253300000000 ] - [ -0.0035390700000000, 0.0023138400000000, -0.0045802900000000 ] - [ -0.0036110000000000, -0.0028516500000000, -0.0034303600000000 ] - [ -0.0122695100000000, 0.0162111300000000, -0.0008296200000000 ] - [ -0.0081612500000000, -0.0117099800000000, -0.0012536100000000 ] - [ 0.0262573100000000, 0.0138346200000000, 0.0154140200000000 ] - [ 0.0127198900000000, -0.0101233800000000, 0.0007688300000000 ] - [ 0.0009549600000000, 0.0023726100000000, -0.0181351400000000 ] - [ 0.0002665500000000, -0.0018774900000000, 0.0010173500000000 ] - [ 0.0320446900000000, 0.0211569400000000, -0.0125820000000000 ] - [ 0.0139811200000000, -0.0083327200000000, 0.0018893200000000 ] - [ 0.0014451900000000, 0.0035889300000000, 0.0227532000000000 ] - [ 0.0013042400000000, -0.0041220000000000, 0.0032910200000000 ] - [ 0.0041745800000000, 0.0039377900000000, 0.0159346300000000 ] - [ 0.0022616900000000, -0.0033429200000000, 0.0052960300000000 ] - [ -0.0102850700000000, 0.0165783400000000, 0.0030071300000000 ] - [ -0.0096463200000000, -0.0139630200000000, 0.0012029300000000 ] - [ -0.0067018400000000, 0.0007002100000000, -0.0026685500000000 ] - [ -0.0046267300000000, -0.0009710400000000, -0.0005826400000000 ] - [ 0.0024107400000000, 0.0015089700000000, -0.0187928500000000 ] - [ 0.0017355200000000, -0.0013370400000000, 0.0013059400000000 ] - [ 0.0007708600000000, -0.0002084400000000, 0.0037157900000000 ] - [ 0.0002502800000000, 0.0002406900000000, -0.0000807900000000 ] - [ 0.0025680900000000, -0.0028297200000000, 0.0016250300000000 ] - [ -0.0008541400000000, 0.0009638700000000, 0.0000035800000000 ] - [ 0.0037890900000000, 0.0035366000000000, 0.0030213900000000 ] - [ -0.0003615600000000, -0.0002774700000000, 0.0001382100000000 ] - [ 0.0017661300000000, -0.0002906400000000, 0.0021215600000000 ] - [ 0.0011518900000000, 0.0004323300000000, 0.0015422400000000 ] - [ 0.0015778000000000, -0.0023492800000000, -0.0047744200000000 ] - [ 0.0010389000000000, 0.0028269300000000, -0.0024371300000000 ] - [ 0.0003714300000000, -0.0009071300000000, 0.0043021400000000 ] - [ 0.0002683500000000, 0.0008413600000000, 0.0040174700000000 ] - [ 0.0005585500000000, -0.0001730300000000, 0.0031760100000000 ] - [ 0.0005425300000000, 0.0003067400000000, 0.0025021900000000 ] - [ 0.0020916600000000, -0.0005839100000000, 0.0010466300000000 ] - [ 0.0018431000000000, -0.0011076900000000, 0.0006661800000000 ] - [ 0.0032040900000000, -0.0036834900000000, -0.0008896300000000 ] - [ 0.0031922400000000, -0.0001351200000000, 0.0005271100000000 ] - [ 0.0001581100000000, -0.0004434300000000, 0.0005568800000000 ] - [ 0.0030105800000000, 0.0021674400000000, 0.0016059700000000 ] - [ 0.0060422300000000, 0.0009585000000000, 0.0003226900000000 ] - [ 0.0034055900000000, 0.0037647200000000, -0.0009449600000000 ] - [ 0.0018881500000000, 0.0000779700000000, 0.0010721600000000 ] - [ 0.0022375800000000, 0.0018910900000000, 0.0007247600000000 ] - [ -0.0046561000000000, -0.0052817700000000, 0.0006844100000000 ] - [ 0.0224309800000000, 0.0197645400000000, -0.0089131300000000 ] - [ 0.0003678100000000, 0.0037805500000000, 0.0274254200000000 ] - [ -0.0003695900000000, 0.0005768900000000, -0.0015623400000000 ] - [ 0.0382544100000000, -0.0095378000000000, -0.0058010200000000 ] - [ -0.0028067600000000, 0.0042059200000000, 0.0006010600000000 ] - [ 0.0025824800000000, -0.0019770400000000, 0.0013724200000000 ] - [ -0.0001853600000000, 0.0009045500000000, 0.0004226400000000 ] - [ -0.1502778800000000, -0.1111560400000000, -0.0072272600000000 ] - [ -0.0001164700000000, 0.0041425600000000, 0.0002294900000000 ] - [ -0.0207623200000000, 0.0166563300000000, 0.0021849300000000 ] - [ -0.0148590400000000, 0.0151759000000000, -0.0017441500000000 ] - [ 0.0054254800000000, 0.0094112700000000, 0.0321423700000000 ] - [ -0.0020141600000000, 0.0007298900000000, -0.0015684400000000 ] - [ -0.0012253100000000, 0.0011812000000000, -0.0014378100000000 ] - [ -0.0012348700000000, 0.0014549500000000, -0.0000618800000000 ] - [ -0.0049024800000000, -0.0055756400000000, -0.0009445900000000 ] - [ 0.0011694900000000, 0.0017964700000000, -0.0005353900000000 ] - [ 0.0043978400000000, 0.0070716500000000, -0.0194353100000000 ] - [ -0.0015472600000000, 0.0005889500000000, -0.0011414800000000 ] - [ 0.0016046200000000, -0.0012911200000000, 0.0026630000000000 ] - [ 0.0017983300000000, 0.0016521200000000, 0.0030731800000000 ] - [ 0.0007473000000000, -0.0008879800000000, -0.0072629800000000 ] - [ 0.0004524100000000, 0.0008544200000000, -0.0048313400000000 ] - [ 0.0030582900000000, 0.0041141900000000, -0.0317831500000000 ] - [ -0.0008020600000000, 0.0006179200000000, -0.0021155900000000 ] - [ 0.0016152700000000, -0.0024890700000000, -0.0037958400000000 ] - [ -0.0017529400000000, 0.0022699400000000, -0.0007957300000000 ] - [ 0.0273108700000000, -0.0126381100000000, 0.0003829500000000 ] - [ -0.0043668200000000, 0.0051286700000000, -0.0000860600000000 ] - [ -0.0066216100000000, -0.0050950400000000, 0.0000033400000000 ] - [ -0.0002844200000000, 0.0011912200000000, -0.0008832900000000 ] - [ 0.0299450100000000, 0.0226176500000000, 0.0042281100000000 ] - [ -0.0044154200000000, -0.0047982400000000, 0.0001036800000000 ] - [ 0.0017089900000000, 0.0000372500000000, -0.0039294400000000 ] - [ 0.0003018800000000, 0.0012251400000000, -0.0032456200000000 ] - [ 0.0042623400000000, 0.0002744500000000, 0.0003934000000000 ] - [ 0.0034109300000000, 0.0025720200000000, 0.0007856200000000 ] - [ 0.0001411300000000, -0.0000075400000000, 0.0039693400000000 ] - [ 0.0003763300000000, 0.0001721600000000, -0.0007262400000000 ] - [ 0.0034585700000000, -0.0005574700000000, 0.0002224700000000 ] - [ 0.0025009100000000, -0.0020552900000000, 0.0004550800000000 ] - [ -0.0035959100000000, 0.0016389000000000, 0.0000917900000000 ] - [ -0.0017626900000000, 0.0008192600000000, -0.0013468800000000 ] - [ 0.0028314400000000, 0.0016445500000000, 0.0004624100000000 ] - [ 0.0028230900000000, 0.0015297900000000, 0.0005802200000000 ] - [ 0.0041821400000000, -0.0026033400000000, 0.0007693800000000 ] - [ 0.0016753500000000, -0.0007043600000000, 0.0002753100000000 ]- atom: 65 displacement: [ -0.0099999387147734, 0.0000000000000000, 0.0000350100096675 ] forces: - [ 0.0046910000000000, 0.0003332000000000, -0.0062424600000000 ] - [ -0.0003003100000000, 0.0006839100000000, -0.0015740000000000 ] - [ -0.0095496000000000, -0.0097434800000000, -0.0062697600000000 ] - [ -0.0020357600000000, 0.0049936000000000, -0.0035709600000000 ] - [ 0.0063293000000000, -0.0003715900000000, 0.0045410000000000 ] - [ 0.0004783000000000, 0.0002395400000000, 0.0011635400000000 ] - [ 0.0034095400000000, -0.0005747300000000, 0.0017004400000000 ] - [ 0.0025575800000000, 0.0004350600000000, 0.0011987700000000 ] - [ 0.0083766200000000, 0.0003153100000000, 0.0036964800000000 ] - [ 0.0060671900000000, 0.0006186400000000, 0.0014893800000000 ] - [ 0.0033262600000000, -0.0026776700000000, 0.0042562100000000 ] - [ 0.0038610700000000, 0.0037112900000000, 0.0040292700000000 ] - [ 0.0037072800000000, -0.0023188400000000, 0.0058719000000000 ] - [ 0.0037839000000000, 0.0028511800000000, 0.0047161900000000 ] - [ 0.0132990600000000, -0.0163310100000000, 0.0008590500000000 ] - [ 0.0090761600000000, 0.0117203700000000, 0.0012604500000000 ] - [ -0.0280153400000000, -0.0166125700000000, -0.0161817400000000 ] - [ -0.0128692800000000, 0.0101402100000000, -0.0009950500000000 ] - [ -0.0009840900000000, -0.0023809100000000, 0.0177357200000000 ] - [ -0.0002791800000000, 0.0018769400000000, -0.0014241400000000 ] - [ -0.0300377900000000, -0.0181768400000000, 0.0117508200000000 ] - [ -0.0142480900000000, 0.0082737600000000, -0.0022350200000000 ] - [ -0.0007901100000000, -0.0035836500000000, -0.0224273000000000 ] - [ -0.0006514100000000, 0.0041158400000000, -0.0029834000000000 ] - [ -0.0039930800000000, -0.0039463100000000, -0.0145721500000000 ] - [ -0.0020785500000000, 0.0033433200000000, -0.0039739200000000 ] - [ 0.0112030400000000, -0.0164497800000000, -0.0029583600000000 ] - [ 0.0105336600000000, 0.0138931700000000, -0.0011755800000000 ] - [ 0.0065851900000000, -0.0007105400000000, 0.0024562200000000 ] - [ 0.0045257800000000, 0.0009757800000000, 0.0003784600000000 ] - [ -0.0023922100000000, -0.0015034400000000, 0.0184322000000000 ] - [ -0.0017216400000000, 0.0013303400000000, -0.0016613600000000 ] - [ -0.0016774400000000, 0.0002066400000000, -0.0033044300000000 ] - [ -0.0011568300000000, -0.0002381500000000, 0.0004981300000000 ] - [ -0.0026490600000000, 0.0026255000000000, -0.0019052800000000 ] - [ 0.0007697500000000, -0.0011640200000000, -0.0002825300000000 ] - [ -0.0038659900000000, -0.0033327500000000, -0.0032969700000000 ] - [ 0.0002766100000000, 0.0004780900000000, -0.0004167900000000 ] - [ -0.0018795300000000, 0.0002905900000000, -0.0025173900000000 ] - [ -0.0012654900000000, -0.0004327100000000, -0.0019369100000000 ] - [ -0.0013795800000000, 0.0023583300000000, 0.0055932700000000 ] - [ -0.0008472800000000, -0.0028249000000000, 0.0032439500000000 ] - [ -0.0009034300000000, 0.0009086500000000, -0.0041270500000000 ] - [ -0.0008043500000000, -0.0008420500000000, -0.0038265700000000 ] - [ -0.0005517200000000, 0.0001722800000000, -0.0040500000000000 ] - [ -0.0005344500000000, -0.0003054800000000, -0.0033720100000000 ] - [ -0.0018314700000000, 0.0005121200000000, -0.0012524200000000 ] - [ -0.0015847200000000, 0.0010336800000000, -0.0008704700000000 ] - [ -0.0033175600000000, 0.0039158600000000, 0.0006436100000000 ] - [ -0.0032734500000000, 0.0003315200000000, -0.0007825200000000 ] - [ -0.0005681600000000, 0.0000715500000000, -0.0004174100000000 ] - [ -0.0034253900000000, -0.0025430700000000, -0.0014625900000000 ] - [ -0.0061923500000000, -0.0011849000000000, -0.0005738600000000 ] - [ -0.0034886600000000, -0.0039699200000000, 0.0006903300000000 ] - [ -0.0016310100000000, -0.0000070700000000, -0.0012766300000000 ] - [ -0.0019758400000000, -0.0018149300000000, -0.0009286500000000 ] - [ 0.0042522700000000, 0.0048724900000000, -0.0007137600000000 ] - [ -0.0229894600000000, -0.0202116600000000, 0.0089509000000000 ] - [ 0.0001267700000000, -0.0037412600000000, -0.0276691000000000 ] - [ 0.0007881200000000, -0.0005797000000000, 0.0014639300000000 ] - [ -0.0393130100000000, 0.0101135500000000, 0.0058177400000000 ] - [ 0.0023898700000000, -0.0037688000000000, -0.0006300300000000 ] - [ -0.0029893500000000, 0.0023495000000000, -0.0012322100000000 ] - [ -0.0002283400000000, -0.0005285900000000, -0.0002832200000000 ] - [ 0.1499791500000000, 0.1104150800000000, 0.0081957600000000 ] - [ 0.0000141800000000, -0.0043996400000000, 0.0001444300000000 ] - [ 0.0205376800000000, -0.0165543900000000, -0.0018008500000000 ] - [ 0.0148022000000000, -0.0147872800000000, 0.0021259200000000 ] - [ -0.0064252900000000, -0.0094095600000000, -0.0315528700000000 ] - [ 0.0010954400000000, -0.0007259800000000, 0.0019615900000000 ] - [ 0.0011472900000000, -0.0013850200000000, 0.0011625200000000 ] - [ 0.0011693400000000, -0.0016679300000000, -0.0002142300000000 ] - [ 0.0048259400000000, 0.0057856700000000, 0.0006899400000000 ] - [ -0.0012407900000000, -0.0015820700000000, 0.0002597500000000 ] - [ -0.0044367200000000, -0.0070678000000000, 0.0190604200000000 ] - [ 0.0014373400000000, -0.0005962800000000, 0.0007258500000000 ] - [ -0.0014219000000000, 0.0012864500000000, -0.0018503700000000 ] - [ -0.0016145500000000, -0.0016461000000000, -0.0022652300000000 ] - [ -0.0012832100000000, 0.0008855300000000, 0.0074106400000000 ] - [ -0.0009854900000000, -0.0008521500000000, 0.0049927800000000 ] - [ -0.0031093500000000, -0.0041223400000000, 0.0307329700000000 ] - [ 0.0008046300000000, -0.0006131000000000, 0.0012558300000000 ] - [ -0.0013382400000000, 0.0024051000000000, 0.0035800200000000 ] - [ 0.0020125100000000, -0.0023407000000000, 0.0005842900000000 ] - [ -0.0270660100000000, 0.0127042600000000, -0.0006270100000000 ] - [ 0.0042523400000000, -0.0048938000000000, -0.0001671300000000 ] - [ 0.0061903900000000, 0.0047125000000000, 0.0001204000000000 ] - [ -0.0001346200000000, -0.0015656500000000, 0.0010144200000000 ] - [ -0.0297781100000000, -0.0226957200000000, -0.0044263300000000 ] - [ 0.0042673400000000, 0.0045612200000000, -0.0003583100000000 ] - [ -0.0014274100000000, 0.0000395100000000, 0.0037067400000000 ] - [ -0.0000357200000000, -0.0011463000000000, 0.0030309000000000 ] - [ -0.0046643600000000, -0.0007078500000000, -0.0004217800000000 ] - [ -0.0038413000000000, -0.0030105300000000, -0.0008096300000000 ] - [ 0.0002737500000000, 0.0000085300000000, -0.0040984900000000 ] - [ 0.0000391300000000, -0.0001717300000000, 0.0005906400000000 ] - [ -0.0038798000000000, 0.0010001500000000, -0.0002512100000000 ] - [ -0.0029254800000000, 0.0024834700000000, -0.0004795200000000 ] - [ 0.0031722800000000, -0.0012685400000000, 0.0000319100000000 ] - [ 0.0013393700000000, -0.0004323200000000, 0.0014751900000000 ] - [ -0.0029176300000000, -0.0019040100000000, -0.0000909400000000 ] - [ -0.0029266900000000, -0.0017998100000000, -0.0002072000000000 ] - [ -0.0042791100000000, 0.0028689900000000, -0.0003950300000000 ] - [ -0.0017724900000000, 0.0009696400000000, 0.0000992500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0036028900000000, 0.0025587800000000, 0.0037214600000000 ] - [ 0.0015246300000000, -0.0022714000000000, 0.0005565100000000 ] - [ 0.0094336700000000, 0.0109560200000000, -0.0016489900000000 ] - [ 0.0016889700000000, -0.0066918600000000, 0.0050775900000000 ] - [ -0.0049088700000000, 0.0017080000000000, -0.0027012900000000 ] - [ 0.0005572300000000, -0.0009567300000000, -0.0005698400000000 ] - [ -0.0014337700000000, 0.0006075800000000, -0.0010611400000000 ] - [ -0.0008854300000000, -0.0004890400000000, -0.0007144900000000 ] - [ -0.0051405400000000, 0.0014015300000000, -0.0037025900000000 ] - [ -0.0038702100000000, -0.0020601000000000, -0.0009908300000000 ] - [ -0.0020128200000000, 0.0028993600000000, -0.0019901100000000 ] - [ -0.0025503000000000, -0.0038299600000000, -0.0027723600000000 ] - [ -0.0026370600000000, 0.0029170500000000, -0.0015709300000000 ] - [ -0.0029860200000000, -0.0036135200000000, -0.0028487800000000 ] - [ -0.0028748800000000, 0.0108454600000000, 0.0011547200000000 ] - [ -0.0090072300000000, -0.0139360000000000, -0.0010561800000000 ] - [ 0.0134108000000000, 0.0235627100000000, 0.0181945000000000 ] - [ 0.0170432800000000, -0.0243212900000000, 0.0022006000000000 ] - [ 0.0009845700000000, 0.0033104600000000, -0.0210922200000000 ] - [ 0.0007834500000000, -0.0029121000000000, 0.0030458900000000 ] - [ 0.0224961300000000, 0.0363717400000000, -0.0113714400000000 ] - [ 0.0169979300000000, -0.0198357500000000, 0.0012761700000000 ] - [ 0.0035801400000000, 0.0057902600000000, 0.0168670400000000 ] - [ 0.0013465800000000, -0.0051968200000000, 0.0011890600000000 ] - [ 0.0032882600000000, 0.0058769500000000, 0.0127454700000000 ] - [ 0.0010590700000000, -0.0058091600000000, 0.0024646900000000 ] - [ -0.0023016400000000, 0.0093733200000000, 0.0016932500000000 ] - [ -0.0082299600000000, -0.0132749000000000, -0.0000650800000000 ] - [ -0.0038803900000000, 0.0016537400000000, -0.0025955000000000 ] - [ -0.0028689200000000, -0.0020545200000000, -0.0004200200000000 ] - [ 0.0003247300000000, 0.0025992000000000, -0.0166142500000000 ] - [ 0.0010614200000000, -0.0022489000000000, 0.0026790300000000 ] - [ 0.0004543700000000, -0.0004458300000000, 0.0043818000000000 ] - [ -0.0001412200000000, 0.0004294200000000, -0.0005379600000000 ] - [ 0.0027161600000000, -0.0031266200000000, 0.0011847000000000 ] - [ -0.0010967500000000, 0.0013472300000000, -0.0002660100000000 ] - [ 0.0034732800000000, 0.0031875200000000, 0.0025473700000000 ] - [ -0.0004072900000000, -0.0002187600000000, -0.0002482900000000 ] - [ 0.0012415000000000, -0.0004816900000000, 0.0012685800000000 ] - [ 0.0008269400000000, 0.0006443000000000, 0.0012314400000000 ] - [ -0.0009443800000000, -0.0022292800000000, -0.0030652300000000 ] - [ 0.0013827600000000, 0.0031985900000000, -0.0025365600000000 ] - [ 0.0000208500000000, -0.0007711900000000, 0.0013161400000000 ] - [ 0.0002717100000000, 0.0010380600000000, 0.0036110100000000 ] - [ 0.0003698300000000, -0.0002806700000000, 0.0020607000000000 ] - [ 0.0003706800000000, 0.0003926800000000, 0.0015590500000000 ] - [ 0.0015187000000000, -0.0004489400000000, 0.0005890600000000 ] - [ 0.0014343400000000, -0.0008596500000000, 0.0003156400000000 ] - [ 0.0006315200000000, -0.0013164200000000, -0.0006984500000000 ] - [ 0.0030230100000000, -0.0004883400000000, 0.0004086800000000 ] - [ -0.0003052400000000, -0.0005733400000000, 0.0001818100000000 ] - [ 0.0030246800000000, 0.0023554900000000, 0.0017582700000000 ] - [ 0.0015964200000000, -0.0011093400000000, 0.0004331900000000 ] - [ 0.0031338100000000, 0.0045460900000000, -0.0012224300000000 ] - [ 0.0012168800000000, -0.0003348600000000, 0.0005404600000000 ] - [ 0.0019566300000000, 0.0019212600000000, 0.0005233800000000 ] - [ -0.0065280700000000, -0.0030025600000000, -0.0000576800000000 ] - [ 0.0232175800000000, 0.0260900000000000, -0.0100827800000000 ] - [ 0.0034242900000000, 0.0021927600000000, 0.0310911300000000 ] - [ -0.0003998400000000, 0.0012308900000000, -0.0039284400000000 ] - [ 0.0131046700000000, -0.0145957500000000, -0.0047272000000000 ] - [ -0.0039028600000000, 0.0072483900000000, 0.0011446200000000 ] - [ 0.0027390100000000, -0.0025767300000000, 0.0011166900000000 ] - [ -0.0009541300000000, 0.0016050100000000, 0.0002541300000000 ] - [ -0.1109489400000000, -0.1605778600000000, -0.0084155800000000 ] - [ 0.0042247800000000, 0.0122265000000000, 0.0004377600000000 ] - [ -0.0167410300000000, 0.0459421200000000, 0.0008147500000000 ] - [ -0.0149487600000000, 0.0346492600000000, -0.0020493700000000 ] - [ 0.0090708600000000, 0.0042316600000000, 0.0275913700000000 ] - [ -0.0019913900000000, 0.0015482500000000, -0.0031592200000000 ] - [ -0.0016018900000000, 0.0013257600000000, -0.0012580400000000 ] - [ -0.0013539500000000, 0.0013446900000000, 0.0004687500000000 ] - [ -0.0057567800000000, -0.0065265500000000, -0.0000652700000000 ] - [ 0.0016745100000000, 0.0026289700000000, -0.0004393800000000 ] - [ 0.0078308200000000, 0.0028607000000000, -0.0192903000000000 ] - [ -0.0015429800000000, 0.0026616200000000, 0.0003041300000000 ] - [ 0.0007645100000000, -0.0010590200000000, 0.0011280400000000 ] - [ 0.0016443000000000, 0.0015543500000000, 0.0028088600000000 ] - [ 0.0001613700000000, -0.0008170900000000, -0.0039188400000000 ] - [ 0.0003097400000000, 0.0009780800000000, -0.0029524600000000 ] - [ 0.0043459700000000, 0.0004920200000000, -0.0262157800000000 ] - [ -0.0009017900000000, 0.0012514200000000, 0.0002139600000000 ] - [ 0.0012633800000000, -0.0041664900000000, -0.0020808500000000 ] - [ -0.0020605400000000, 0.0033660900000000, -0.0003902300000000 ] - [ 0.0107189700000000, -0.0112245100000000, 0.0000355600000000 ] - [ -0.0051315900000000, 0.0062190900000000, -0.0001970900000000 ] - [ -0.0052259400000000, -0.0063427000000000, 0.0013264200000000 ] - [ 0.0006899800000000, 0.0024790900000000, -0.0009485600000000 ] - [ 0.0257368700000000, 0.0239639100000000, 0.0042873500000000 ] - [ -0.0047835200000000, -0.0029432000000000, -0.0002547600000000 ] - [ -0.0005842800000000, 0.0015715100000000, -0.0006453000000000 ] - [ 0.0003688400000000, 0.0009689500000000, -0.0027170600000000 ] - [ 0.0012742900000000, -0.0008216000000000, 0.0001337100000000 ] - [ 0.0030563800000000, 0.0029562800000000, 0.0008674900000000 ] - [ 0.0001937200000000, -0.0001883700000000, 0.0040210300000000 ] - [ 0.0003491200000000, 0.0002894400000000, -0.0009244100000000 ] - [ 0.0025027400000000, -0.0005532100000000, 0.0002176100000000 ] - [ 0.0007466600000000, -0.0005044600000000, 0.0002084100000000 ] - [ -0.0017848500000000, 0.0020739700000000, 0.0013686100000000 ] - [ -0.0012306900000000, 0.0005318900000000, -0.0013968200000000 ] - [ 0.0016129700000000, 0.0010124600000000, 0.0002889600000000 ] - [ 0.0017222000000000, 0.0010189200000000, 0.0006658000000000 ] - [ 0.0026813000000000, -0.0020288000000000, 0.0007282300000000 ] - [ 0.0007849000000000, 0.0001090200000000, 0.0001757800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038784300000000, -0.0025807900000000, -0.0040313400000000 ] - [ -0.0012143200000000, 0.0022804600000000, -0.0008940000000000 ] - [ -0.0086579900000000, -0.0106858000000000, 0.0020916800000000 ] - [ -0.0006303200000000, 0.0066755500000000, -0.0050111500000000 ] - [ 0.0052294800000000, -0.0016820900000000, 0.0024286600000000 ] - [ -0.0002530400000000, 0.0009488600000000, 0.0002674600000000 ] - [ 0.0024864800000000, -0.0006177800000000, 0.0012021300000000 ] - [ 0.0019427100000000, 0.0004873800000000, 0.0008519800000000 ] - [ 0.0047917200000000, -0.0014195200000000, 0.0033690200000000 ] - [ 0.0035212000000000, 0.0020769000000000, 0.0006447100000000 ] - [ 0.0026883200000000, -0.0029172000000000, 0.0023332400000000 ] - [ 0.0032240500000000, 0.0038547500000000, 0.0030980800000000 ] - [ 0.0028320300000000, -0.0029194400000000, 0.0028672300000000 ] - [ 0.0031849400000000, 0.0036202100000000, 0.0041667800000000 ] - [ 0.0038239000000000, -0.0108166400000000, -0.0011419800000000 ] - [ 0.0100187900000000, 0.0139706700000000, 0.0010622700000000 ] - [ -0.0162067000000000, -0.0256755600000000, -0.0190124800000000 ] - [ -0.0170044300000000, 0.0242643600000000, -0.0024195400000000 ] - [ -0.0010197700000000, -0.0033503500000000, 0.0208213900000000 ] - [ -0.0007958200000000, 0.0029375300000000, -0.0033887300000000 ] - [ -0.0196606500000000, -0.0343155800000000, 0.0105753100000000 ] - [ -0.0175632200000000, 0.0199025800000000, -0.0016350500000000 ] - [ -0.0029542400000000, -0.0057903300000000, -0.0166083600000000 ] - [ -0.0007101000000000, 0.0051891100000000, -0.0008499000000000 ] - [ -0.0031022600000000, -0.0059221000000000, -0.0114268300000000 ] - [ -0.0008795900000000, 0.0058494600000000, -0.0011689700000000 ] - [ 0.0033021800000000, -0.0094891700000000, -0.0016720900000000 ] - [ 0.0091291300000000, 0.0133102300000000, 0.0000739900000000 ] - [ 0.0038104300000000, -0.0016378100000000, 0.0023794500000000 ] - [ 0.0027845400000000, 0.0020449400000000, 0.0002002800000000 ] - [ -0.0003074100000000, -0.0025819700000000, 0.0163135800000000 ] - [ -0.0010585700000000, 0.0022381800000000, -0.0030725600000000 ] - [ -0.0013640900000000, 0.0004523500000000, -0.0040043300000000 ] - [ -0.0007679600000000, -0.0004315100000000, 0.0009400900000000 ] - [ -0.0028117800000000, 0.0029332200000000, -0.0014648700000000 ] - [ 0.0010199200000000, -0.0015554000000000, -0.0000019100000000 ] - [ -0.0035740200000000, -0.0029993100000000, -0.0028253400000000 ] - [ 0.0003296300000000, 0.0004313700000000, -0.0000194200000000 ] - [ -0.0013644900000000, 0.0004791100000000, -0.0016769800000000 ] - [ -0.0009461900000000, -0.0006416000000000, -0.0016383200000000 ] - [ 0.0011509800000000, 0.0022258000000000, 0.0038797200000000 ] - [ -0.0012029900000000, -0.0031955500000000, 0.0033591000000000 ] - [ -0.0005554800000000, 0.0007699400000000, -0.0011253300000000 ] - [ -0.0008117300000000, -0.0010397100000000, -0.0034501500000000 ] - [ -0.0003657400000000, 0.0002852500000000, -0.0029304400000000 ] - [ -0.0003660800000000, -0.0003947000000000, -0.0024295100000000 ] - [ -0.0012613900000000, 0.0003673600000000, -0.0007961500000000 ] - [ -0.0011812300000000, 0.0007909400000000, -0.0005238600000000 ] - [ -0.0007353700000000, 0.0015210600000000, 0.0004358100000000 ] - [ -0.0031396100000000, 0.0007176400000000, -0.0006696900000000 ] - [ -0.0001133000000000, 0.0001869700000000, -0.0000363200000000 ] - [ -0.0034512100000000, -0.0027423700000000, -0.0016193600000000 ] - [ -0.0016915800000000, 0.0009019500000000, -0.0006946400000000 ] - [ -0.0032486900000000, -0.0047813900000000, 0.0009645500000000 ] - [ -0.0009614000000000, 0.0004157200000000, -0.0007502600000000 ] - [ -0.0017021300000000, -0.0018481700000000, -0.0007266800000000 ] - [ 0.0060469000000000, 0.0025055900000000, 0.0000420000000000 ] - [ -0.0238229000000000, -0.0268089200000000, 0.0101492800000000 ] - [ -0.0029790700000000, -0.0021095000000000, -0.0315197600000000 ] - [ 0.0008201300000000, -0.0012357700000000, 0.0037617100000000 ] - [ -0.0134584300000000, 0.0151771500000000, 0.0047141500000000 ] - [ 0.0034474100000000, -0.0067891000000000, -0.0011624200000000 ] - [ -0.0031617200000000, 0.0029698600000000, -0.0009754900000000 ] - [ 0.0005400500000000, -0.0012264900000000, -0.0001118000000000 ] - [ 0.1106909500000000, 0.1599430800000000, 0.0094413500000000 ] - [ -0.0043142900000000, -0.0125015000000000, -0.0000607000000000 ] - [ 0.0164753700000000, -0.0450327500000000, -0.0004478300000000 ] - [ 0.0150411000000000, -0.0348596500000000, 0.0024603100000000 ] - [ -0.0099907900000000, -0.0043160600000000, -0.0271278200000000 ] - [ 0.0010921400000000, -0.0015468900000000, 0.0036017200000000 ] - [ 0.0015440900000000, -0.0015494900000000, 0.0009897500000000 ] - [ 0.0012841400000000, -0.0015486000000000, -0.0007489800000000 ] - [ 0.0057153200000000, 0.0067736300000000, -0.0001888800000000 ] - [ -0.0017536900000000, -0.0024255300000000, 0.0001645000000000 ] - [ -0.0079140900000000, -0.0027830200000000, 0.0189467400000000 ] - [ 0.0014251300000000, -0.0026836400000000, -0.0006832000000000 ] - [ -0.0005871200000000, 0.0010696100000000, -0.0003405400000000 ] - [ -0.0014598700000000, -0.0015599700000000, -0.0019998400000000 ] - [ -0.0007029500000000, 0.0008257900000000, 0.0041175600000000 ] - [ -0.0008450100000000, -0.0009808200000000, 0.0031245000000000 ] - [ -0.0043706200000000, -0.0005688300000000, 0.0253259800000000 ] - [ 0.0009149600000000, -0.0012479400000000, -0.0011082200000000 ] - [ -0.0009857300000000, 0.0040879200000000, 0.0018707300000000 ] - [ 0.0023289800000000, -0.0034556300000000, 0.0001871800000000 ] - [ -0.0109744100000000, 0.0114336100000000, -0.0002976300000000 ] - [ 0.0050722600000000, -0.0060406700000000, -0.0000609400000000 ] - [ 0.0048113200000000, 0.0059733200000000, -0.0011967600000000 ] - [ -0.0011048400000000, -0.0028645900000000, 0.0010998100000000 ] - [ -0.0257695900000000, -0.0240235800000000, -0.0044837100000000 ] - [ 0.0047382500000000, 0.0028062400000000, -0.0000099300000000 ] - [ 0.0008577700000000, -0.0015099000000000, 0.0004324100000000 ] - [ -0.0000853100000000, -0.0008629100000000, 0.0025045100000000 ] - [ -0.0017332400000000, 0.0003705400000000, -0.0001682500000000 ] - [ -0.0034877300000000, -0.0033984800000000, -0.0008959600000000 ] - [ 0.0002239000000000, 0.0001859200000000, -0.0041692800000000 ] - [ 0.0000672200000000, -0.0002880200000000, 0.0007978100000000 ] - [ -0.0029388000000000, 0.0009881200000000, -0.0002485200000000 ] - [ -0.0011903900000000, 0.0009649200000000, -0.0002414500000000 ] - [ 0.0013830100000000, -0.0017186000000000, -0.0012367300000000 ] - [ 0.0008055900000000, -0.0001298100000000, 0.0015455600000000 ] - [ -0.0017147600000000, -0.0012869100000000, 0.0000735500000000 ] - [ -0.0018214600000000, -0.0012794100000000, -0.0003023000000000 ] - [ -0.0027889000000000, 0.0023036400000000, -0.0003630500000000 ] - [ -0.0008843000000000, 0.0001560200000000, 0.0001888900000000 ]- atom: 65 displacement: [ -0.0057455964855437, 0.0000000000000000, 0.0081846271158379 ] forces: - [ 0.0047302300000000, 0.0004141500000000, -0.0028816000000000 ] - [ 0.0003869700000000, 0.0000751500000000, -0.0008456500000000 ] - [ -0.0005511800000000, -0.0085979000000000, -0.0036337700000000 ] - [ -0.0005715300000000, 0.0035301400000000, -0.0005404500000000 ] - [ 0.0023453500000000, -0.0002394500000000, 0.0035903800000000 ] - [ 0.0001820700000000, 0.0002160300000000, 0.0008573300000000 ] - [ 0.0016550300000000, -0.0001725600000000, 0.0007094100000000 ] - [ 0.0015067300000000, 0.0001155300000000, 0.0006866400000000 ] - [ 0.0039841400000000, 0.0006990500000000, 0.0008641700000000 ] - [ 0.0026573800000000, -0.0003167100000000, 0.0000508600000000 ] - [ 0.0005173900000000, -0.0005586400000000, 0.0020367000000000 ] - [ 0.0003994200000000, 0.0004894400000000, 0.0020731800000000 ] - [ 0.0009102500000000, -0.0006811100000000, 0.0032503300000000 ] - [ 0.0010494200000000, 0.0008093500000000, 0.0024558500000000 ] - [ 0.0074697800000000, -0.0083248700000000, 0.0013955300000000 ] - [ 0.0033581400000000, 0.0040878300000000, 0.0012424300000000 ] - [ -0.0096346500000000, 0.0000086600000000, 0.0069610700000000 ] - [ -0.0080462300000000, 0.0054374000000000, 0.0003719500000000 ] - [ -0.0009702700000000, -0.0019905500000000, 0.0035203600000000 ] - [ -0.0003472300000000, 0.0013991300000000, -0.0010956000000000 ] - [ -0.0241272300000000, -0.0158763900000000, 0.0189900200000000 ] - [ -0.0068878200000000, 0.0039666200000000, -0.0007029500000000 ] - [ 0.0030106600000000, -0.0011687700000000, -0.0201507000000000 ] - [ 0.0019031600000000, 0.0025096600000000, -0.0016440600000000 ] - [ -0.0005512300000000, -0.0005082700000000, -0.0137727900000000 ] - [ 0.0001505000000000, 0.0004488400000000, -0.0029624500000000 ] - [ 0.0073817100000000, -0.0093609500000000, -0.0024916800000000 ] - [ 0.0077354800000000, 0.0089989900000000, -0.0006546600000000 ] - [ 0.0036281800000000, -0.0005466000000000, -0.0003870000000000 ] - [ 0.0024984100000000, 0.0007019100000000, -0.0003652500000000 ] - [ -0.0035086100000000, -0.0020322000000000, 0.0019614900000000 ] - [ -0.0016579900000000, 0.0012614600000000, -0.0009457300000000 ] - [ -0.0010527900000000, 0.0000868300000000, -0.0003927500000000 ] - [ -0.0007420200000000, -0.0000976400000000, 0.0006223300000000 ] - [ -0.0000178900000000, 0.0003283600000000, -0.0008035700000000 ] - [ 0.0005424300000000, -0.0006016600000000, -0.0003070700000000 ] - [ 0.0004483300000000, 0.0003720000000000, -0.0006599300000000 ] - [ 0.0003698000000000, 0.0002194600000000, -0.0002950200000000 ] - [ -0.0008102100000000, 0.0001322900000000, -0.0011545800000000 ] - [ -0.0005476900000000, -0.0001960400000000, -0.0009881100000000 ] - [ -0.0024879700000000, 0.0010608400000000, 0.0034397600000000 ] - [ -0.0005660200000000, -0.0014239200000000, 0.0010825400000000 ] - [ -0.0004591400000000, 0.0004235000000000, -0.0024441600000000 ] - [ -0.0004696900000000, -0.0003677300000000, -0.0017358300000000 ] - [ -0.0002101500000000, 0.0000051400000000, -0.0017268100000000 ] - [ -0.0001657200000000, -0.0000206500000000, -0.0013202800000000 ] - [ -0.0004235900000000, 0.0000648200000000, -0.0007975100000000 ] - [ -0.0002822800000000, 0.0002228700000000, -0.0005522000000000 ] - [ -0.0019537700000000, 0.0023468400000000, 0.0002495600000000 ] - [ -0.0012743900000000, -0.0000853200000000, -0.0005056400000000 ] - [ -0.0002310900000000, -0.0000515500000000, -0.0001435300000000 ] - [ -0.0009401600000000, -0.0006548600000000, -0.0002339500000000 ] - [ -0.0035796700000000, -0.0009493800000000, -0.0003813100000000 ] - [ -0.0011231900000000, -0.0010710600000000, 0.0000049400000000 ] - [ -0.0003379000000000, 0.0001258900000000, -0.0007527500000000 ] - [ -0.0003610900000000, -0.0004232500000000, -0.0005994200000000 ] - [ 0.0019025800000000, 0.0032097200000000, -0.0014713400000000 ] - [ -0.0065029300000000, -0.0049687900000000, 0.0045927300000000 ] - [ 0.0046444400000000, 0.0027874800000000, -0.0088986800000000 ] - [ 0.0005640800000000, -0.0004071500000000, 0.0005866500000000 ] - [ -0.0213019200000000, 0.0038574300000000, -0.0008247400000000 ] - [ 0.0009471500000000, -0.0012764300000000, -0.0006044800000000 ] - [ -0.0008448100000000, 0.0007226500000000, -0.0003647700000000 ] - [ -0.0001644200000000, -0.0001154700000000, -0.0000520600000000 ] - [ 0.0795317500000000, 0.0556490600000000, -0.0325405300000000 ] - [ 0.0000290800000000, -0.0023709700000000, 0.0000535400000000 ] - [ 0.0134151300000000, -0.0099862800000000, -0.0044115700000000 ] - [ 0.0068612800000000, -0.0065635100000000, -0.0013360500000000 ] - [ 0.0064649500000000, 0.0034543200000000, -0.0078427700000000 ] - [ 0.0003802300000000, -0.0004764500000000, 0.0004409300000000 ] - [ 0.0006458500000000, -0.0012758400000000, 0.0008760700000000 ] - [ -0.0004138000000000, -0.0000838000000000, 0.0001006600000000 ] - [ 0.0020434400000000, 0.0033505000000000, 0.0020608900000000 ] - [ -0.0010510700000000, -0.0010837900000000, 0.0000422200000000 ] - [ -0.0103993600000000, -0.0115179500000000, 0.0168688800000000 ] - [ 0.0006211400000000, 0.0006102500000000, -0.0000157900000000 ] - [ -0.0005561300000000, 0.0006113200000000, -0.0009207500000000 ] - [ -0.0007317500000000, -0.0007536300000000, -0.0016020700000000 ] - [ -0.0012807600000000, 0.0004052400000000, 0.0061697300000000 ] - [ -0.0008694900000000, -0.0004487700000000, 0.0039509300000000 ] - [ -0.0066402500000000, -0.0069103000000000, 0.0254678000000000 ] - [ 0.0002634800000000, -0.0002430200000000, 0.0007627900000000 ] - [ -0.0029268000000000, 0.0021243600000000, 0.0032332200000000 ] - [ 0.0006172400000000, -0.0009271800000000, 0.0002639300000000 ] - [ -0.0163151300000000, 0.0078273000000000, -0.0024001500000000 ] - [ 0.0023288500000000, -0.0029182800000000, -0.0002959600000000 ] - [ 0.0030636600000000, 0.0015516100000000, 0.0020281600000000 ] - [ -0.0000987300000000, -0.0007888700000000, 0.0005889900000000 ] - [ -0.0215561500000000, -0.0167042300000000, -0.0015034900000000 ] - [ 0.0018565700000000, 0.0022147400000000, -0.0003691800000000 ] - [ -0.0033530500000000, 0.0000181600000000, 0.0043997400000000 ] - [ -0.0020974400000000, -0.0025176600000000, 0.0028549200000000 ] - [ -0.0028172200000000, -0.0005954700000000, -0.0000948600000000 ] - [ -0.0027794600000000, -0.0021723200000000, -0.0005800700000000 ] - [ 0.0003896800000000, 0.0002457600000000, 0.0002880500000000 ] - [ 0.0001587700000000, -0.0001345000000000, 0.0008555700000000 ] - [ -0.0027787400000000, 0.0010073600000000, -0.0001369900000000 ] - [ -0.0016539700000000, 0.0013933900000000, -0.0002329400000000 ] - [ 0.0010189000000000, 0.0009730500000000, 0.0009988300000000 ] - [ 0.0012582700000000, -0.0011330300000000, 0.0010150100000000 ] - [ -0.0013709500000000, -0.0007535300000000, 0.0001339800000000 ] - [ -0.0014705500000000, -0.0010000700000000, 0.0000688200000000 ] - [ -0.0019978300000000, 0.0012551400000000, 0.0000357100000000 ] - [ -0.0009644000000000, 0.0006183100000000, 0.0002124000000000 ]- atom: 65 displacement: [ 0.0057455964855437, 0.0000000000000000, -0.0081846271158379 ] forces: - [ -0.0044044700000000, -0.0003831200000000, 0.0026068700000000 ] - [ -0.0000545000000000, -0.0001023000000000, 0.0005390800000000 ] - [ 0.0013169700000000, 0.0088575600000000, 0.0041232000000000 ] - [ 0.0016198100000000, -0.0035543200000000, 0.0007012600000000 ] - [ -0.0020422100000000, 0.0002435600000000, -0.0038929500000000 ] - [ 0.0001338500000000, -0.0002197500000000, -0.0011646800000000 ] - [ -0.0006362000000000, 0.0001737500000000, -0.0005795000000000 ] - [ -0.0004662800000000, -0.0001235500000000, -0.0005570600000000 ] - [ -0.0043687900000000, -0.0006782000000000, -0.0012250300000000 ] - [ -0.0030441500000000, 0.0002970900000000, -0.0003960100000000 ] - [ 0.0001431000000000, 0.0005643900000000, -0.0017250500000000 ] - [ 0.0002616200000000, -0.0004907200000000, -0.0017538600000000 ] - [ -0.0007392600000000, 0.0006904100000000, -0.0019600900000000 ] - [ -0.0008806500000000, -0.0008246900000000, -0.0011750100000000 ] - [ -0.0065336800000000, 0.0083395600000000, -0.0013373600000000 ] - [ -0.0024875000000000, -0.0041579300000000, -0.0012213700000000 ] - [ 0.0094119000000000, -0.0002859700000000, -0.0072962900000000 ] - [ 0.0079167800000000, -0.0054619400000000, -0.0005812800000000 ] - [ 0.0009911100000000, 0.0020093800000000, -0.0040256800000000 ] - [ 0.0003685400000000, -0.0014192500000000, 0.0007250400000000 ] - [ 0.0245668900000000, 0.0169474800000000, -0.0190272200000000 ] - [ 0.0066035300000000, -0.0040341300000000, 0.0003488300000000 ] - [ -0.0022839200000000, 0.0011995200000000, 0.0205728500000000 ] - [ -0.0012168200000000, -0.0025169800000000, 0.0019721300000000 ] - [ 0.0007301100000000, 0.0005527700000000, 0.0150398500000000 ] - [ 0.0000141900000000, -0.0005017900000000, 0.0042536200000000 ] - [ -0.0064519200000000, 0.0094180900000000, 0.0024949500000000 ] - [ -0.0068235100000000, -0.0090300100000000, 0.0006486000000000 ] - [ -0.0037421500000000, 0.0005477400000000, 0.0001530400000000 ] - [ -0.0026059100000000, -0.0007045300000000, 0.0001355800000000 ] - [ 0.0034604700000000, 0.0020212600000000, -0.0023024500000000 ] - [ 0.0016412400000000, -0.0012604200000000, 0.0005932300000000 ] - [ 0.0001446900000000, -0.0000902100000000, 0.0008207800000000 ] - [ -0.0001673400000000, 0.0001017000000000, -0.0002223700000000 ] - [ -0.0000527300000000, -0.0005389400000000, 0.0005295700000000 ] - [ -0.0006213500000000, 0.0003971400000000, 0.0000323700000000 ] - [ -0.0005255100000000, -0.0001646700000000, 0.0003841000000000 ] - [ -0.0004477900000000, -0.0000148000000000, 0.0000235400000000 ] - [ 0.0006998400000000, -0.0001336000000000, 0.0007519200000000 ] - [ 0.0004386400000000, 0.0001981000000000, 0.0005926600000000 ] - [ 0.0026341400000000, -0.0010690500000000, -0.0026734600000000 ] - [ 0.0007523400000000, 0.0014386000000000, -0.0003021700000000 ] - [ -0.0000743500000000, -0.0004254500000000, 0.0026246500000000 ] - [ -0.0000646800000000, 0.0003714600000000, 0.0019380000000000 ] - [ 0.0002167200000000, -0.0000064000000000, 0.0008745500000000 ] - [ 0.0001730300000000, 0.0000225700000000, 0.0004594500000000 ] - [ 0.0006871100000000, -0.0001429500000000, 0.0005974400000000 ] - [ 0.0005471700000000, -0.0003040400000000, 0.0003531400000000 ] - [ 0.0018519100000000, -0.0021314800000000, -0.0005171600000000 ] - [ 0.0011993400000000, 0.0002828800000000, 0.0002397100000000 ] - [ -0.0001849000000000, -0.0003293800000000, 0.0002899200000000 ] - [ 0.0005417500000000, 0.0002872800000000, 0.0003909800000000 ] - [ 0.0034721900000000, 0.0007258300000000, 0.0001172800000000 ] - [ 0.0010494700000000, 0.0008879400000000, -0.0002797800000000 ] - [ 0.0005993600000000, -0.0000485000000000, 0.0005511100000000 ] - [ 0.0006284100000000, 0.0005078500000000, 0.0004010600000000 ] - [ -0.0023357200000000, -0.0036332500000000, 0.0014108000000000 ] - [ 0.0062210300000000, 0.0046976800000000, -0.0046601000000000 ] - [ -0.0042034900000000, -0.0027422500000000, 0.0089082200000000 ] - [ -0.0001465200000000, 0.0004102700000000, -0.0007043900000000 ] - [ 0.0207687900000000, -0.0034427800000000, 0.0006876500000000 ] - [ -0.0013825400000000, 0.0017408600000000, 0.0005663100000000 ] - [ 0.0004467600000000, -0.0003570900000000, 0.0005146200000000 ] - [ -0.0002561300000000, 0.0005038900000000, 0.0001996100000000 ] - [ -0.0801183700000000, -0.0570370400000000, 0.0325195300000000 ] - [ -0.0001121000000000, 0.0021330900000000, 0.0003116500000000 ] - [ -0.0135425800000000, 0.0101245800000000, 0.0047783900000000 ] - [ -0.0070002900000000, 0.0069697000000000, 0.0016920600000000 ] - [ -0.0074015300000000, -0.0035094900000000, 0.0081610500000000 ] - [ -0.0012946900000000, 0.0004803700000000, -0.0000616000000000 ] - [ -0.0007577800000000, 0.0010994500000000, -0.0011542300000000 ] - [ 0.0003208600000000, -0.0001126300000000, -0.0003737900000000 ] - [ -0.0021900800000000, -0.0032045500000000, -0.0023149000000000 ] - [ 0.0009727000000000, 0.0012985200000000, -0.0003191000000000 ] - [ 0.0101792500000000, 0.0113341100000000, -0.0171431700000000 ] - [ -0.0007317700000000, -0.0005793500000000, -0.0004018400000000 ] - [ 0.0007412000000000, -0.0006148700000000, 0.0017388400000000 ] - [ 0.0009102200000000, 0.0007549700000000, 0.0024089800000000 ] - [ 0.0007427100000000, -0.0004100900000000, -0.0059753300000000 ] - [ 0.0003334200000000, 0.0004526100000000, -0.0037475300000000 ] - [ 0.0067401400000000, 0.0070323700000000, -0.0266088300000000 ] - [ -0.0002647500000000, 0.0002473400000000, -0.0016121900000000 ] - [ 0.0031905200000000, -0.0022390600000000, -0.0034299400000000 ] - [ -0.0003689600000000, 0.0008672800000000, -0.0004697500000000 ] - [ 0.0163127200000000, -0.0076693800000000, 0.0021757700000000 ] - [ -0.0024477400000000, 0.0031534800000000, 0.0000342700000000 ] - [ -0.0034480200000000, -0.0019348600000000, -0.0018652500000000 ] - [ -0.0003036900000000, 0.0004267800000000, -0.0004484000000000 ] - [ 0.0215644000000000, 0.0165340600000000, 0.0011999400000000 ] - [ -0.0019858800000000, -0.0024440500000000, 0.0001094200000000 ] - [ 0.0036085600000000, 0.0001124300000000, -0.0045781500000000 ] - [ 0.0023336200000000, 0.0025691300000000, -0.0030483200000000 ] - [ 0.0023997400000000, 0.0001547100000000, 0.0000633200000000 ] - [ 0.0023549100000000, 0.0017342100000000, 0.0005490100000000 ] - [ 0.0000315000000000, -0.0002458600000000, -0.0004057800000000 ] - [ 0.0002605500000000, 0.0001346000000000, -0.0009810500000000 ] - [ 0.0023561700000000, -0.0005659100000000, 0.0001061800000000 ] - [ 0.0012305000000000, -0.0009585500000000, 0.0002034000000000 ] - [ -0.0014135700000000, -0.0005820700000000, -0.0008408900000000 ] - [ -0.0016636900000000, 0.0015010000000000, -0.0008767100000000 ] - [ 0.0012873500000000, 0.0004945100000000, 0.0002303000000000 ] - [ 0.0013825800000000, 0.0007392700000000, 0.0002991100000000 ] - [ 0.0019114300000000, -0.0009978000000000, 0.0003339500000000 ] - [ 0.0008726100000000, -0.0003551400000000, 0.0001543400000000 ]