# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/954b73b8-b8fc-4a24-b6f7-d453e8125cac/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 NdAlGe2O7 / P2_1/c (14) / materials id 6016](https://mdr.nims.go.jp/datasets/177b8de9-043a-4204-9312-6decb702c988) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.214881850000000, 0.000000000000000, 0.002616500000000 ] # a - [ 0.000000000000000, 6.537912140000000, 0.000000000000000 ] # b - [ -5.899623580000000, 0.000000000000000, 11.277812460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.427098470000000, 0.378826560000000, 0.195876690000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.572901530000000, 0.878826560000000, 0.304123310000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.572901530000000, 0.621173440000000, 0.804123310000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.427098470000000, 0.121173440000000, 0.695876690000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.841964840000000, 0.181894360000000, 0.312774120000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.158035160000000, 0.681894360000000, 0.187225880000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.158035160000000, 0.818105640000000, 0.687225880000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.841964840000000, 0.318105640000000, 0.812774120000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.778651420000000, 0.617892220000000, 0.222465520000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.221348580000000, 0.117892220000000, 0.277534480000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.221348580000000, 0.382107780000000, 0.777534480000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.778651420000000, 0.882107780000000, 0.722465520000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.593508070000000, 0.172941400000000, 0.525544170000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.406491930000000, 0.672941400000000, 0.974455830000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.406491930000000, 0.827058600000000, 0.474455830000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.593508070000000, 0.327058600000000, 0.025544170000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.751408700000000, 0.000523710000000, 0.925610990000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.248591300000000, 0.500523710000000, 0.574389010000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.248591300000000, 0.999476290000000, 0.074389010000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.751408700000000, 0.499476290000000, 0.425610990000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.995549350000000, 0.340353540000000, 0.083145000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.004450650000000, 0.840353540000000, 0.416855000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.004450650000000, 0.659646460000000, 0.916855000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.995549350000000, 0.159646460000000, 0.583145000000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.796671660000000, 0.948040620000000, 0.134401150000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.203328340000000, 0.448040620000000, 0.365598850000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.203328340000000, 0.051959380000000, 0.865598850000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.796671660000000, 0.551959380000000, 0.634401150000000 ] mass: 15.999400 - symbol: Al # 29 coordinates: [ 0.212631920000000, 0.398477390000000, 0.229927620000000 ] mass: 26.981539 - symbol: Al # 30 coordinates: [ 0.212631920000000, 0.101522610000000, 0.729927620000000 ] mass: 26.981539 - symbol: Al # 31 coordinates: [ 0.787368080000000, 0.601522610000000, 0.770072380000000 ] mass: 26.981539 - symbol: Al # 32 coordinates: [ 0.787368080000000, 0.898477390000000, 0.270072380000000 ] mass: 26.981539 - symbol: Ge # 33 coordinates: [ 0.209683530000000, 0.841949350000000, 0.951591180000000 ] mass: 72.640000 - symbol: Ge # 34 coordinates: [ 0.698824730000000, 0.410762910000000, 0.278922640000000 ] mass: 72.640000 - symbol: Ge # 35 coordinates: [ 0.209683530000000, 0.658050650000000, 0.451591180000000 ] mass: 72.640000 - symbol: Ge # 36 coordinates: [ 0.790316470000000, 0.158050650000000, 0.048408820000000 ] mass: 72.640000 - symbol: Ge # 37 coordinates: [ 0.301175270000000, 0.589237090000000, 0.721077360000000 ] mass: 72.640000 - symbol: Ge # 38 coordinates: [ 0.698824730000000, 0.089237090000000, 0.778922640000000 ] mass: 72.640000 - symbol: Ge # 39 coordinates: [ 0.301175270000000, 0.910762910000000, 0.221077360000000 ] mass: 72.640000 - symbol: Ge # 40 coordinates: [ 0.790316470000000, 0.341949350000000, 0.548408820000000 ] mass: 72.640000 - symbol: Nd # 41 coordinates: [ 0.235913970000000, 0.147925950000000, 0.474331840000000 ] mass: 144.242000 - symbol: Nd # 42 coordinates: [ 0.764086030000000, 0.647925950000000, 0.025668160000000 ] mass: 144.242000 - symbol: Nd # 43 coordinates: [ 0.764086030000000, 0.852074050000000, 0.525668160000000 ] mass: 144.242000 - symbol: Nd # 44 coordinates: [ 0.235913970000000, 0.352074050000000, 0.974331840000000 ] mass: 144.242000 reciprocal_lattice: # without 2pi - [ 0.138576118979147, 0.000000000000000, 0.072491623890176 ] # a* - [ 0.000000000000000, 0.152954028531806, 0.000000000000000 ] # b* - [ -0.000032150243373, 0.000000000000000, 0.088652859693509 ] # c*unit_cell: lattice: - [ 7.214881850000000, 0.000000000000000, 0.002616500000000 ] # a - [ 0.000000000000000, 6.537912140000000, 0.000000000000000 ] # b - [ -5.899623580000000, 0.000000000000000, 11.277812460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.427098470000000, 0.378826560000000, 0.195876690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.572901530000000, 0.878826560000000, 0.304123310000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.572901530000000, 0.621173440000000, 0.804123310000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.427098470000000, 0.121173440000000, 0.695876690000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.841964840000000, 0.181894360000000, 0.312774120000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.158035160000000, 0.681894360000000, 0.187225880000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.158035160000000, 0.818105640000000, 0.687225880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.841964840000000, 0.318105640000000, 0.812774120000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.778651420000000, 0.617892220000000, 0.222465520000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.221348580000000, 0.117892220000000, 0.277534480000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.221348580000000, 0.382107780000000, 0.777534480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.778651420000000, 0.882107780000000, 0.722465520000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.593508070000000, 0.172941400000000, 0.525544170000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.406491930000000, 0.672941400000000, 0.974455830000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.406491930000000, 0.827058600000000, 0.474455830000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.593508070000000, 0.327058600000000, 0.025544170000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.751408700000000, 0.000523710000000, 0.925610990000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.248591300000000, 0.500523710000000, 0.574389010000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.248591300000000, 0.999476290000000, 0.074389010000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.751408700000000, 0.499476290000000, 0.425610990000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.995549350000000, 0.340353540000000, 0.083145000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.004450650000000, 0.840353540000000, 0.416855000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.004450650000000, 0.659646460000000, 0.916855000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.995549350000000, 0.159646460000000, 0.583145000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.796671660000000, 0.948040620000000, 0.134401150000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.203328340000000, 0.448040620000000, 0.365598850000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.203328340000000, 0.051959380000000, 0.865598850000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.796671660000000, 0.551959380000000, 0.634401150000000 ] mass: 15.999400 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.212631920000000, 0.398477390000000, 0.229927620000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.212631920000000, 0.101522610000000, 0.729927620000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.787368080000000, 0.601522610000000, 0.770072380000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.787368080000000, 0.898477390000000, 0.270072380000000 ] mass: 26.981539 reduced_to: 32 - symbol: Ge # 33 coordinates: [ 0.209683530000000, 0.841949350000000, 0.951591180000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.698824730000000, 0.410762910000000, 0.278922640000000 ] mass: 72.640000 reduced_to: 34 - symbol: Ge # 35 coordinates: [ 0.209683530000000, 0.658050650000000, 0.451591180000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 36 coordinates: [ 0.790316470000000, 0.158050650000000, 0.048408820000000 ] mass: 72.640000 reduced_to: 36 - symbol: Ge # 37 coordinates: [ 0.301175270000000, 0.589237090000000, 0.721077360000000 ] mass: 72.640000 reduced_to: 37 - symbol: Ge # 38 coordinates: [ 0.698824730000000, 0.089237090000000, 0.778922640000000 ] mass: 72.640000 reduced_to: 38 - symbol: Ge # 39 coordinates: [ 0.301175270000000, 0.910762910000000, 0.221077360000000 ] mass: 72.640000 reduced_to: 39 - symbol: Ge # 40 coordinates: [ 0.790316470000000, 0.341949350000000, 0.548408820000000 ] mass: 72.640000 reduced_to: 40 - symbol: Nd # 41 coordinates: [ 0.235913970000000, 0.147925950000000, 0.474331840000000 ] mass: 144.242000 reduced_to: 41 - symbol: Nd # 42 coordinates: [ 0.764086030000000, 0.647925950000000, 0.025668160000000 ] mass: 144.242000 reduced_to: 42 - symbol: Nd # 43 coordinates: [ 0.764086030000000, 0.852074050000000, 0.525668160000000 ] mass: 144.242000 reduced_to: 43 - symbol: Nd # 44 coordinates: [ 0.235913970000000, 0.352074050000000, 0.974331840000000 ] mass: 144.242000 reduced_to: 44supercell: lattice: - [ 7.214881850000000, 0.000000000000000, 0.002616500000000 ] # a - [ 0.000000000000000, 13.075824280000001, 0.000000000000000 ] # b - [ -5.899623580000000, 0.000000000000000, 11.277812460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.427098470000000, 0.189413280000000, 0.195876690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.427098470000000, 0.689413280000000, 0.195876690000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.572901530000000, 0.439413280000000, 0.304123310000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.572901530000000, 0.939413280000000, 0.304123310000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.572901530000000, 0.310586720000000, 0.804123310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.572901530000000, 0.810586720000000, 0.804123310000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.427098470000000, 0.060586720000000, 0.695876690000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.427098470000000, 0.560586720000000, 0.695876690000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.841964840000000, 0.090947180000000, 0.312774120000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.841964840000000, 0.590947180000000, 0.312774120000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.158035160000000, 0.340947180000000, 0.187225880000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.158035160000000, 0.840947180000000, 0.187225880000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.158035160000000, 0.409052820000000, 0.687225880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.158035160000000, 0.909052820000000, 0.687225880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.841964840000000, 0.159052820000000, 0.812774120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.841964840000000, 0.659052820000000, 0.812774120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.778651420000000, 0.308946110000000, 0.222465520000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.778651420000000, 0.808946110000000, 0.222465520000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.221348580000000, 0.058946110000000, 0.277534480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.221348580000000, 0.558946110000000, 0.277534480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.221348580000000, 0.191053890000000, 0.777534480000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.221348580000000, 0.691053890000000, 0.777534480000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.778651420000000, 0.441053890000000, 0.722465520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.778651420000000, 0.941053890000000, 0.722465520000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.593508070000000, 0.086470700000000, 0.525544170000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.593508070000000, 0.586470700000000, 0.525544170000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.406491930000000, 0.336470700000000, 0.974455830000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.406491930000000, 0.836470700000000, 0.974455830000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.406491930000000, 0.413529300000000, 0.474455830000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.406491930000000, 0.913529300000000, 0.474455830000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.593508070000000, 0.163529300000000, 0.025544170000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.593508070000000, 0.663529300000000, 0.025544170000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.751408700000000, 0.000261855000000, 0.925610990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.751408700000000, 0.500261855000000, 0.925610990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.248591300000000, 0.250261855000000, 0.574389010000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.248591300000000, 0.750261855000000, 0.574389010000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.248591300000000, 0.499738145000000, 0.074389010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.248591300000000, 0.999738145000000, 0.074389010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.751408700000000, 0.249738145000000, 0.425610990000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.751408700000000, 0.749738145000000, 0.425610990000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.995549350000000, 0.170176770000000, 0.083145000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.995549350000000, 0.670176770000000, 0.083145000000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.004450650000000, 0.420176770000000, 0.416855000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.004450650000000, 0.920176770000000, 0.416855000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.004450650000000, 0.329823230000000, 0.916855000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.004450650000000, 0.829823230000000, 0.916855000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.995549350000000, 0.079823230000000, 0.583145000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.995549350000000, 0.579823230000000, 0.583145000000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.796671660000000, 0.474020310000000, 0.134401150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.796671660000000, 0.974020310000000, 0.134401150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.203328340000000, 0.224020310000000, 0.365598850000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.203328340000000, 0.724020310000000, 0.365598850000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.203328340000000, 0.025979690000000, 0.865598850000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.203328340000000, 0.525979690000000, 0.865598850000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.796671660000000, 0.275979690000000, 0.634401150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.796671660000000, 0.775979690000000, 0.634401150000000 ] mass: 15.999400 reduced_to: 55 - symbol: Al # 57 coordinates: [ 0.212631920000000, 0.199238695000000, 0.229927620000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 58 coordinates: [ 0.212631920000000, 0.699238695000000, 0.229927620000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 59 coordinates: [ 0.212631920000000, 0.050761305000000, 0.729927620000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 60 coordinates: [ 0.212631920000000, 0.550761305000000, 0.729927620000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 61 coordinates: [ 0.787368080000000, 0.300761305000000, 0.770072380000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 62 coordinates: [ 0.787368080000000, 0.800761305000000, 0.770072380000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 63 coordinates: [ 0.787368080000000, 0.449238695000000, 0.270072380000000 ] mass: 26.981539 reduced_to: 63 - symbol: Al # 64 coordinates: [ 0.787368080000000, 0.949238695000000, 0.270072380000000 ] mass: 26.981539 reduced_to: 63 - symbol: Ge # 65 coordinates: [ 0.209683530000000, 0.420974675000000, 0.951591180000000 ] mass: 72.640000 reduced_to: 65 - symbol: Ge # 66 coordinates: [ 0.209683530000000, 0.920974675000000, 0.951591180000000 ] mass: 72.640000 reduced_to: 65 - symbol: Ge # 67 coordinates: [ 0.698824730000000, 0.205381455000000, 0.278922640000000 ] mass: 72.640000 reduced_to: 67 - symbol: Ge # 68 coordinates: [ 0.698824730000000, 0.705381455000000, 0.278922640000000 ] mass: 72.640000 reduced_to: 67 - symbol: Ge # 69 coordinates: [ 0.209683530000000, 0.329025325000000, 0.451591180000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 70 coordinates: [ 0.209683530000000, 0.829025325000000, 0.451591180000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 71 coordinates: [ 0.790316470000000, 0.079025325000000, 0.048408820000000 ] mass: 72.640000 reduced_to: 71 - symbol: Ge # 72 coordinates: [ 0.790316470000000, 0.579025325000000, 0.048408820000000 ] mass: 72.640000 reduced_to: 71 - symbol: Ge # 73 coordinates: [ 0.301175270000000, 0.294618545000000, 0.721077360000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 74 coordinates: [ 0.301175270000000, 0.794618545000000, 0.721077360000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 75 coordinates: [ 0.698824730000000, 0.044618545000000, 0.778922640000000 ] mass: 72.640000 reduced_to: 75 - symbol: Ge # 76 coordinates: [ 0.698824730000000, 0.544618545000000, 0.778922640000000 ] mass: 72.640000 reduced_to: 75 - symbol: Ge # 77 coordinates: [ 0.301175270000000, 0.455381455000000, 0.221077360000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 78 coordinates: [ 0.301175270000000, 0.955381455000000, 0.221077360000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 79 coordinates: [ 0.790316470000000, 0.170974675000000, 0.548408820000000 ] mass: 72.640000 reduced_to: 79 - symbol: Ge # 80 coordinates: [ 0.790316470000000, 0.670974675000000, 0.548408820000000 ] mass: 72.640000 reduced_to: 79 - symbol: Nd # 81 coordinates: [ 0.235913970000000, 0.073962975000000, 0.474331840000000 ] mass: 144.242000 reduced_to: 81 - symbol: Nd # 82 coordinates: [ 0.235913970000000, 0.573962975000000, 0.474331840000000 ] mass: 144.242000 reduced_to: 81 - symbol: Nd # 83 coordinates: [ 0.764086030000000, 0.323962975000000, 0.025668160000000 ] mass: 144.242000 reduced_to: 83 - symbol: Nd # 84 coordinates: [ 0.764086030000000, 0.823962975000000, 0.025668160000000 ] mass: 144.242000 reduced_to: 83 - symbol: Nd # 85 coordinates: [ 0.764086030000000, 0.426037025000000, 0.525668160000000 ] mass: 144.242000 reduced_to: 85 - symbol: Nd # 86 coordinates: [ 0.764086030000000, 0.926037025000000, 0.525668160000000 ] mass: 144.242000 reduced_to: 85 - symbol: Nd # 87 coordinates: [ 0.235913970000000, 0.176037025000000, 0.974331840000000 ] mass: 144.242000 reduced_to: 87 - symbol: Nd # 88 coordinates: [ 0.235913970000000, 0.676037025000000, 0.974331840000000 ] mass: 144.242000 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ -0.3253758400000000, -0.0163807600000000, -0.0703220700000000 ] - [ -0.0004053900000000, -0.0005109200000000, -0.0002666700000000 ] - [ -0.0035503400000000, 0.0001991000000000, -0.0004069800000000 ] - [ -0.0035556800000000, -0.0013223600000000, -0.0005691100000000 ] - [ -0.0001424800000000, 0.0005236300000000, -0.0001778800000000 ] - [ -0.0000158600000000, 0.0005985500000000, 0.0003079900000000 ] - [ 0.0000889900000000, 0.0005020900000000, 0.0001448300000000 ] - [ 0.0001143300000000, 0.0005945100000000, -0.0000823400000000 ] - [ 0.0146567700000000, -0.0113978100000000, 0.0096802400000000 ] - [ -0.0000589400000000, 0.0001295100000000, 0.0000095500000000 ] - [ 0.0115214200000000, -0.0192718500000000, 0.0006259000000000 ] - [ -0.0000214000000000, 0.0016285300000000, 0.0001705600000000 ] - [ 0.0000896900000000, 0.0002202300000000, 0.0002360400000000 ] - [ 0.0000242400000000, 0.0000454600000000, 0.0003659100000000 ] - [ 0.0000228300000000, 0.0000503400000000, 0.0007630200000000 ] - [ 0.0001198600000000, 0.0004430500000000, 0.0001997500000000 ] - [ 0.0168721700000000, 0.0165077800000000, 0.0004912800000000 ] - [ -0.0002837600000000, -0.0004321300000000, -0.0008110600000000 ] - [ 0.0125148200000000, 0.0153585000000000, -0.0070573800000000 ] - [ 0.0002146200000000, -0.0022785000000000, -0.0001685500000000 ] - [ -0.0007206400000000, -0.0002178100000000, 0.0021141400000000 ] - [ 0.0002112100000000, 0.0003284900000000, 0.0007497800000000 ] - [ -0.0003372900000000, 0.0005054000000000, -0.0001679700000000 ] - [ -0.0002959900000000, 0.0002363000000000, -0.0002795400000000 ] - [ -0.0011914600000000, -0.0011037300000000, -0.0002598800000000 ] - [ -0.0005369800000000, -0.0001848400000000, -0.0001364800000000 ] - [ -0.0008461200000000, -0.0002011600000000, -0.0012529300000000 ] - [ -0.0002693600000000, 0.0000140200000000, 0.0002461300000000 ] - [ 0.0001843500000000, 0.0000089400000000, -0.0007987400000000 ] - [ 0.0004072200000000, 0.0008026200000000, -0.0008090500000000 ] - [ 0.0097131600000000, -0.0012632100000000, -0.0067416700000000 ] - [ -0.0004901900000000, 0.0008103700000000, -0.0002081900000000 ] - [ 0.0009496100000000, -0.0004074700000000, 0.0011573600000000 ] - [ 0.0000389700000000, -0.0001786500000000, 0.0005051800000000 ] - [ 0.0008989100000000, -0.0004528500000000, -0.0012861000000000 ] - [ 0.0003830600000000, -0.0003971900000000, -0.0004838300000000 ] - [ -0.0010589600000000, -0.0007446100000000, 0.0003944200000000 ] - [ -0.0016466500000000, 0.0028187300000000, 0.0015492600000000 ] - [ -0.0027281900000000, 0.0019123200000000, 0.0112945300000000 ] - [ -0.0002862300000000, 0.0002176800000000, 0.0005553300000000 ] - [ 0.0178469100000000, 0.0043161900000000, 0.0105437100000000 ] - [ 0.0002875800000000, 0.0006676700000000, 0.0009725100000000 ] - [ 0.0014840800000000, 0.0013549000000000, 0.0015091000000000 ] - [ 0.0016693400000000, -0.0020244800000000, 0.0002527000000000 ] - [ 0.0001611400000000, -0.0007264600000000, 0.0004633200000000 ] - [ 0.0004710000000000, 0.0001641600000000, -0.0001579200000000 ] - [ 0.0001818200000000, -0.0011528000000000, 0.0024926300000000 ] - [ -0.0000901300000000, -0.0000074600000000, 0.0008481500000000 ] - [ 0.0017915700000000, 0.0019319700000000, -0.0017068300000000 ] - [ 0.0022000900000000, -0.0011988500000000, -0.0012840600000000 ] - [ 0.0072589900000000, -0.0018487200000000, -0.0053276400000000 ] - [ 0.0006973400000000, -0.0005191200000000, -0.0007276200000000 ] - [ -0.0002570700000000, 0.0008031200000000, 0.0007796600000000 ] - [ -0.0000450700000000, 0.0003642100000000, 0.0002789800000000 ] - [ -0.0013850700000000, 0.0007403200000000, 0.0023600000000000 ] - [ -0.0003226000000000, 0.0002284100000000, 0.0003213700000000 ] - [ 0.0994790800000000, -0.0063101900000000, -0.0177701400000000 ] - [ -0.0004487400000000, -0.0000190300000000, 0.0005785100000000 ] - [ -0.0005136700000000, -0.0000345200000000, -0.0007765700000000 ] - [ -0.0004022400000000, -0.0002917800000000, 0.0001347500000000 ] - [ 0.0003293200000000, -0.0001273500000000, -0.0018371000000000 ] - [ 0.0003584700000000, -0.0002156300000000, -0.0008749400000000 ] - [ 0.0023548800000000, -0.0086445300000000, -0.0025493600000000 ] - [ 0.0006739700000000, 0.0082673500000000, 0.0018755700000000 ] - [ 0.0014626900000000, 0.0000567500000000, -0.0014926600000000 ] - [ 0.0002709900000000, -0.0006828100000000, -0.0017669000000000 ] - [ 0.1403409800000000, 0.0160018300000000, 0.0764768200000000 ] - [ 0.0004381300000000, -0.0001118800000000, 0.0005584800000000 ] - [ -0.0039208400000000, 0.0022386000000000, 0.0008685000000000 ] - [ -0.0018205400000000, 0.0000847400000000, -0.0000026700000000 ] - [ -0.0098444600000000, -0.0020017900000000, -0.0013170400000000 ] - [ -0.0003980000000000, -0.0007732100000000, 0.0005601600000000 ] - [ 0.0001255000000000, 0.0006933400000000, -0.0002506800000000 ] - [ -0.0001024900000000, 0.0000436100000000, -0.0005482400000000 ] - [ -0.0002159300000000, 0.0001768200000000, -0.0005080200000000 ] - [ 0.0000026400000000, -0.0001766700000000, -0.0000036800000000 ] - [ 0.0062076600000000, 0.0069670900000000, 0.0022721900000000 ] - [ 0.0055177400000000, -0.0078202100000000, -0.0009654300000000 ] - [ 0.0032587600000000, 0.0033661100000000, -0.0042491100000000 ] - [ 0.0003725400000000, -0.0000539800000000, 0.0001837600000000 ] - [ -0.0059004600000000, -0.0005330800000000, 0.0011405400000000 ] - [ -0.0004911200000000, -0.0002925600000000, 0.0005623500000000 ] - [ -0.0074408400000000, -0.0000338600000000, 0.0032300000000000 ] - [ -0.0004835000000000, -0.0000792600000000, -0.0000829300000000 ] - [ 0.0010946300000000, -0.0023236000000000, -0.0005686000000000 ] - [ 0.0009504900000000, 0.0011393800000000, -0.0004116200000000 ] - [ 0.0112222800000000, 0.0006930400000000, -0.0030927500000000 ] - [ 0.0003636500000000, -0.0000060700000000, -0.0002660200000000 ]- atom: 1 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ 0.3268036900000000, 0.0134290000000000, 0.0628040800000000 ] - [ 0.0005932800000000, -0.0005646500000000, 0.0000306400000000 ] - [ 0.0033608100000000, -0.0012884500000000, 0.0006429000000000 ] - [ 0.0033648300000000, 0.0002569700000000, 0.0007963900000000 ] - [ -0.0000500700000000, 0.0005497500000000, 0.0004074300000000 ] - [ -0.0001679800000000, 0.0004782100000000, -0.0000723500000000 ] - [ 0.0000970400000000, 0.0005762800000000, -0.0003769800000000 ] - [ 0.0000686900000000, 0.0004798000000000, -0.0001543400000000 ] - [ -0.0144145000000000, 0.0107448900000000, -0.0094259400000000 ] - [ 0.0001238000000000, -0.0005960900000000, 0.0000772000000000 ] - [ -0.0116400100000000, 0.0189712000000000, -0.0007104800000000 ] - [ -0.0000453200000000, -0.0021032600000000, -0.0002642200000000 ] - [ -0.0001598500000000, 0.0002436400000000, -0.0003177800000000 ] - [ -0.0000970900000000, 0.0004304900000000, -0.0004472800000000 ] - [ 0.0000677000000000, 0.0004290400000000, -0.0006729100000000 ] - [ -0.0000465200000000, 0.0000325500000000, -0.0001146400000000 ] - [ -0.0171507700000000, -0.0168244100000000, -0.0015377400000000 ] - [ -0.0002455900000000, -0.0001889000000000, -0.0002673500000000 ] - [ -0.0120668700000000, -0.0161204900000000, 0.0082337700000000 ] - [ 0.0003132000000000, 0.0016738400000000, 0.0012534100000000 ] - [ 0.0012257500000000, 0.0008318400000000, -0.0010136500000000 ] - [ 0.0003104000000000, 0.0002847800000000, 0.0003326700000000 ] - [ -0.0001851500000000, 0.0001040400000000, -0.0009150900000000 ] - [ -0.0002269600000000, 0.0003817400000000, -0.0007990900000000 ] - [ 0.0006448900000000, 0.0002146500000000, 0.0001725600000000 ] - [ -0.0000113700000000, -0.0007067800000000, 0.0000519300000000 ] - [ 0.0013824800000000, -0.0007215400000000, 0.0013514000000000 ] - [ 0.0008024800000000, -0.0008902600000000, -0.0001657800000000 ] - [ 0.0003825500000000, 0.0008923400000000, 0.0008904600000000 ] - [ 0.0001472800000000, 0.0000820100000000, 0.0008991000000000 ] - [ -0.0102504100000000, 0.0021512000000000, 0.0065460500000000 ] - [ -0.0000703600000000, 0.0000855200000000, 0.0001218000000000 ] - [ -0.0013345500000000, -0.0001677100000000, 0.0002217500000000 ] - [ -0.0004295300000000, -0.0003751000000000, 0.0008879400000000 ] - [ -0.0005162200000000, -0.0001040000000000, -0.0000960200000000 ] - [ 0.0000094200000000, -0.0001564500000000, -0.0009174300000000 ] - [ 0.0014570900000000, 0.0013023100000000, -0.0017987400000000 ] - [ 0.0020669900000000, -0.0022330900000000, -0.0029403400000000 ] - [ 0.0022862800000000, -0.0013310400000000, -0.0098635500000000 ] - [ -0.0001070700000000, 0.0003297500000000, 0.0008473300000000 ] - [ -0.0184334900000000, -0.0038253100000000, -0.0092728200000000 ] - [ -0.0006227600000000, -0.0001333100000000, 0.0004599400000000 ] - [ -0.0011567900000000, -0.0008136800000000, -0.0029272700000000 ] - [ -0.0013282600000000, 0.0025388700000000, -0.0016757500000000 ] - [ 0.0001872500000000, 0.0001805800000000, -0.0018981500000000 ] - [ -0.0001203100000000, -0.0006803100000000, -0.0012713200000000 ] - [ -0.0005204400000000, 0.0006239200000000, -0.0010518500000000 ] - [ -0.0002529100000000, -0.0005232500000000, 0.0005859500000000 ] - [ -0.0022735400000000, -0.0024321000000000, 0.0019945300000000 ] - [ -0.0026841800000000, 0.0006651300000000, 0.0015751400000000 ] - [ -0.0068016600000000, 0.0013404400000000, 0.0050731100000000 ] - [ -0.0002171600000000, 0.0000033500000000, 0.0004315900000000 ] - [ 0.0007253400000000, -0.0002744400000000, -0.0010587900000000 ] - [ 0.0005255500000000, 0.0001524300000000, -0.0005771000000000 ] - [ 0.0009071300000000, -0.0002206400000000, -0.0020610000000000 ] - [ -0.0001581800000000, 0.0002856800000000, -0.0000253500000000 ] - [ -0.1081762000000000, 0.0071497400000000, 0.0204807100000000 ] - [ -0.0004302800000000, 0.0002397100000000, 0.0003265600000000 ] - [ -0.0003551100000000, -0.0001954000000000, 0.0016703200000000 ] - [ -0.0004732500000000, 0.0000722000000000, 0.0007672000000000 ] - [ 0.0005408000000000, -0.0000916100000000, 0.0009327700000000 ] - [ 0.0005164400000000, -0.0000074800000000, -0.0000309900000000 ] - [ -0.0014521000000000, 0.0088483300000000, 0.0016328900000000 ] - [ 0.0002278400000000, -0.0080200100000000, -0.0027697300000000 ] - [ -0.0021058200000000, 0.0002409400000000, 0.0010591000000000 ] - [ -0.0009023100000000, 0.0009350300000000, 0.0013268400000000 ] - [ -0.1336016600000000, -0.0149615300000000, -0.0709850800000000 ] - [ -0.0003467100000000, 0.0000366600000000, -0.0002475100000000 ] - [ 0.0032893400000000, -0.0025228300000000, -0.0013206100000000 ] - [ 0.0011858700000000, -0.0003468900000000, -0.0004338400000000 ] - [ 0.0104895000000000, 0.0017706800000000, 0.0017570500000000 ] - [ 0.0010314700000000, 0.0004926800000000, -0.0001241100000000 ] - [ -0.0002121500000000, -0.0006103800000000, -0.0000642000000000 ] - [ 0.0000065000000000, 0.0000276700000000, 0.0002385300000000 ] - [ 0.0003017000000000, -0.0001140600000000, 0.0008285900000000 ] - [ 0.0000863300000000, 0.0002528500000000, 0.0003143400000000 ] - [ -0.0063297000000000, -0.0070232800000000, -0.0025824700000000 ] - [ -0.0056503700000000, 0.0077258300000000, 0.0006707900000000 ] - [ -0.0026427300000000, -0.0031173500000000, 0.0046971500000000 ] - [ 0.0002616300000000, 0.0003288500000000, 0.0002435200000000 ] - [ 0.0061383500000000, 0.0004382700000000, -0.0010952400000000 ] - [ 0.0007413900000000, 0.0002025900000000, -0.0004960700000000 ] - [ 0.0072017600000000, -0.0000903800000000, -0.0032655400000000 ] - [ 0.0002346300000000, -0.0000061000000000, 0.0000172500000000 ] - [ -0.0013511700000000, 0.0024279100000000, 0.0004994100000000 ] - [ -0.0011995800000000, -0.0010504300000000, 0.0003385400000000 ] - [ -0.0109802000000000, -0.0006013900000000, 0.0032764300000000 ] - [ -0.0001122400000000, 0.0000981800000000, 0.0003394400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0146727600000000, -0.0510923600000000, -0.0161973200000000 ] - [ 0.0001138700000000, 0.0006672000000000, -0.0001517600000000 ] - [ 0.0007039100000000, 0.0023149900000000, 0.0017631800000000 ] - [ -0.0008280400000000, 0.0022850300000000, -0.0014586700000000 ] - [ -0.0000997400000000, 0.0000004400000000, -0.0005088700000000 ] - [ -0.0000273400000000, 0.0009084700000000, 0.0003476700000000 ] - [ 0.0001258500000000, 0.0003142000000000, -0.0004460200000000 ] - [ 0.0000351100000000, 0.0008990900000000, -0.0000871300000000 ] - [ -0.0066192800000000, -0.0017759000000000, -0.0042586500000000 ] - [ 0.0001040000000000, 0.0016157700000000, 0.0001733300000000 ] - [ -0.0122310200000000, 0.0109520400000000, -0.0017644300000000 ] - [ 0.0006153200000000, 0.0024552300000000, 0.0000692300000000 ] - [ 0.0000819400000000, 0.0000365700000000, -0.0000078200000000 ] - [ -0.0001288500000000, 0.0005346000000000, -0.0000879200000000 ] - [ 0.0000483000000000, -0.0007694700000000, 0.0002924600000000 ] - [ 0.0001922600000000, 0.0012599400000000, 0.0000586600000000 ] - [ 0.0094317500000000, 0.0015229700000000, 0.0004379600000000 ] - [ -0.0003472600000000, 0.0013246900000000, -0.0005123500000000 ] - [ 0.0114632200000000, 0.0066972600000000, -0.0045959700000000 ] - [ -0.0001443600000000, 0.0023905900000000, 0.0010741400000000 ] - [ -0.0003621400000000, -0.0009501500000000, 0.0012462200000000 ] - [ 0.0003828000000000, 0.0011619600000000, 0.0005180900000000 ] - [ -0.0003955300000000, 0.0006202800000000, -0.0004238700000000 ] - [ -0.0001868600000000, 0.0002704000000000, -0.0005704400000000 ] - [ -0.0010805400000000, -0.0016990900000000, -0.0007240400000000 ] - [ -0.0001191000000000, 0.0003878200000000, 0.0002293100000000 ] - [ 0.0006281200000000, -0.0004357700000000, -0.0026512300000000 ] - [ -0.0002671000000000, 0.0008798700000000, 0.0006151500000000 ] - [ -0.0000284700000000, 0.0005204600000000, 0.0008788700000000 ] - [ 0.0003793100000000, 0.0011864400000000, -0.0007568500000000 ] - [ -0.0020675500000000, -0.0022609500000000, 0.0013990100000000 ] - [ -0.0003979500000000, 0.0017766600000000, -0.0002732400000000 ] - [ -0.0001505900000000, -0.0005580400000000, 0.0012282200000000 ] - [ -0.0000978300000000, 0.0003292100000000, 0.0001169400000000 ] - [ 0.0002061400000000, -0.0012477200000000, -0.0002662600000000 ] - [ 0.0002541500000000, 0.0005465600000000, -0.0008677000000000 ] - [ 0.0006883800000000, 0.0018587400000000, -0.0024106100000000 ] - [ 0.0014210300000000, 0.0069652400000000, 0.0059132300000000 ] - [ 0.0012348700000000, -0.0035182500000000, 0.0062479200000000 ] - [ -0.0002108300000000, 0.0013720100000000, 0.0005451800000000 ] - [ 0.0016845100000000, -0.0031218800000000, 0.0016284300000000 ] - [ -0.0000189500000000, 0.0017816900000000, 0.0006335900000000 ] - [ 0.0005878300000000, 0.0007391200000000, 0.0007499600000000 ] - [ -0.0001389000000000, 0.0014908100000000, -0.0016500300000000 ] - [ 0.0000514900000000, -0.0013377000000000, -0.0017603600000000 ] - [ 0.0005713300000000, 0.0012859900000000, 0.0004279000000000 ] - [ 0.0001422300000000, -0.0013509400000000, 0.0006588000000000 ] - [ -0.0002010800000000, 0.0004319000000000, 0.0008342500000000 ] - [ -0.0003413100000000, 0.0017591100000000, -0.0012233600000000 ] - [ -0.0004876300000000, 0.0002380800000000, 0.0014923900000000 ] - [ -0.0006889700000000, -0.0035077500000000, 0.0011864500000000 ] - [ 0.0001296900000000, 0.0013751200000000, -0.0001591100000000 ] - [ -0.0001598900000000, -0.0008960000000000, 0.0010951000000000 ] - [ 0.0003934700000000, 0.0012374100000000, -0.0007635800000000 ] - [ -0.0006686800000000, -0.0005145800000000, 0.0009928900000000 ] - [ -0.0002762500000000, 0.0011321600000000, 0.0001452400000000 ] - [ -0.0068641600000000, 0.0152332900000000, 0.0028284300000000 ] - [ -0.0004430000000000, -0.0032595900000000, 0.0008322200000000 ] - [ -0.0004783000000000, 0.0004143400000000, 0.0000044800000000 ] - [ -0.0005043500000000, -0.0009197500000000, 0.0006580300000000 ] - [ 0.0004895900000000, 0.0009867600000000, -0.0003057100000000 ] - [ 0.0003206900000000, -0.0010716100000000, -0.0009278900000000 ] - [ -0.0005163500000000, -0.0042343800000000, -0.0016967400000000 ] - [ 0.0021322900000000, -0.0035966700000000, -0.0005249200000000 ] - [ 0.0001877100000000, -0.0009660500000000, 0.0025594800000000 ] - [ 0.0013208100000000, -0.0020267300000000, -0.0043179600000000 ] - [ 0.0162790500000000, 0.0225609000000000, 0.0102508900000000 ] - [ 0.0001211700000000, -0.0027538900000000, 0.0003239500000000 ] - [ -0.0004944500000000, 0.0012626300000000, -0.0024702400000000 ] - [ -0.0002497700000000, -0.0023209400000000, 0.0002096300000000 ] - [ 0.0006337200000000, 0.0012207700000000, -0.0014668900000000 ] - [ 0.0001683700000000, -0.0026966000000000, 0.0012679300000000 ] - [ 0.0002823800000000, 0.0014334600000000, -0.0000489400000000 ] - [ -0.0002135900000000, -0.0008670300000000, -0.0001761500000000 ] - [ 0.0002954200000000, 0.0007715900000000, -0.0002164500000000 ] - [ -0.0000781200000000, -0.0009460600000000, 0.0004454900000000 ] - [ -0.0007590900000000, -0.0086196600000000, -0.0008455100000000 ] - [ -0.0023007400000000, -0.0091014400000000, -0.0003405500000000 ] - [ 0.0015537200000000, 0.0042997900000000, -0.0009406800000000 ] - [ 0.0001558800000000, -0.0014726000000000, 0.0002084400000000 ] - [ 0.0003551100000000, 0.0025107100000000, 0.0039735000000000 ] - [ 0.0002939100000000, -0.0019266900000000, -0.0008310800000000 ] - [ -0.0000148300000000, 0.0028086000000000, 0.0046416600000000 ] - [ -0.0004076300000000, -0.0020789600000000, -0.0006694400000000 ] - [ -0.0001087000000000, -0.0006450800000000, -0.0023227500000000 ] - [ 0.0000175200000000, -0.0006457400000000, 0.0021069300000000 ] - [ 0.0004947500000000, 0.0087975600000000, -0.0009246800000000 ] - [ 0.0001049000000000, -0.0026405300000000, 0.0002933500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0151061000000000, 0.0505173500000000, 0.0164901300000000 ] - [ 0.0000596100000000, -0.0017446200000000, -0.0000937300000000 ] - [ -0.0008782700000000, -0.0033625100000000, -0.0015055000000000 ] - [ 0.0006566100000000, -0.0033932000000000, 0.0017217900000000 ] - [ -0.0000759700000000, 0.0010765700000000, 0.0007510000000000 ] - [ -0.0001467300000000, 0.0001688500000000, -0.0001044400000000 ] - [ 0.0000475400000000, 0.0007648900000000, 0.0002019200000000 ] - [ 0.0001523700000000, 0.0001746200000000, -0.0001492800000000 ] - [ 0.0067589100000000, 0.0012859800000000, 0.0043981200000000 ] - [ -0.0000234600000000, -0.0020989100000000, -0.0000829200000000 ] - [ 0.0119986700000000, -0.0113753200000000, 0.0016443500000000 ] - [ -0.0006972500000000, -0.0029376400000000, -0.0001564900000000 ] - [ -0.0001591900000000, 0.0004471900000000, -0.0000845800000000 ] - [ 0.0000542300000000, -0.0000512200000000, -0.0000007600000000 ] - [ 0.0000352400000000, 0.0012576900000000, -0.0001990600000000 ] - [ -0.0001287600000000, -0.0007977800000000, 0.0000268400000000 ] - [ -0.0098444000000000, -0.0020961300000000, -0.0015135900000000 ] - [ -0.0001709200000000, -0.0019265300000000, -0.0005739100000000 ] - [ -0.0110563200000000, -0.0073116700000000, 0.0057314400000000 ] - [ 0.0006634800000000, -0.0029955200000000, 0.0000117000000000 ] - [ 0.0008777100000000, 0.0015507300000000, -0.0001547300000000 ] - [ 0.0001402800000000, -0.0005604400000000, 0.0005681400000000 ] - [ -0.0001368200000000, -0.0000048500000000, -0.0006546500000000 ] - [ -0.0003347100000000, 0.0003348100000000, -0.0005150000000000 ] - [ 0.0005267600000000, 0.0008147800000000, 0.0006361400000000 ] - [ -0.0004429400000000, -0.0012859200000000, -0.0003148200000000 ] - [ -0.0000679100000000, -0.0004585600000000, 0.0027229700000000 ] - [ 0.0008270800000000, -0.0017734900000000, -0.0005309300000000 ] - [ 0.0005879600000000, 0.0003730900000000, -0.0007896600000000 ] - [ 0.0001710800000000, -0.0002963400000000, 0.0008437500000000 ] - [ 0.0014987800000000, 0.0031658000000000, -0.0014934700000000 ] - [ -0.0001584500000000, -0.0008831600000000, 0.0001844600000000 ] - [ -0.0002470600000000, -0.0000068400000000, 0.0001785200000000 ] - [ -0.0002937900000000, -0.0008867100000000, 0.0012808300000000 ] - [ 0.0001891400000000, 0.0006735200000000, -0.0011441300000000 ] - [ 0.0001437000000000, -0.0011057400000000, -0.0005451800000000 ] - [ -0.0002942900000000, -0.0012946200000000, 0.0009976300000000 ] - [ -0.0010584200000000, -0.0064915100000000, -0.0074131300000000 ] - [ -0.0016338800000000, 0.0040649200000000, -0.0048394800000000 ] - [ -0.0001856000000000, -0.0008036600000000, 0.0008671900000000 ] - [ -0.0020028000000000, 0.0036688500000000, -0.0001905900000000 ] - [ -0.0003133700000000, -0.0012443700000000, 0.0008009200000000 ] - [ -0.0002563600000000, -0.0002031000000000, -0.0021815000000000 ] - [ 0.0004753400000000, -0.0009538300000000, 0.0002167900000000 ] - [ 0.0002800600000000, 0.0007944500000000, 0.0003269200000000 ] - [ -0.0002442500000000, -0.0018326600000000, -0.0018727900000000 ] - [ -0.0004765800000000, 0.0008195400000000, 0.0007770600000000 ] - [ -0.0001282400000000, -0.0009750700000000, 0.0006020100000000 ] - [ -0.0001396100000000, -0.0022833700000000, 0.0015159800000000 ] - [ 0.0000132600000000, -0.0007561500000000, -0.0012023000000000 ] - [ 0.0011831500000000, 0.0029747100000000, -0.0014914400000000 ] - [ 0.0003523200000000, -0.0018948500000000, -0.0001324500000000 ] - [ 0.0006438800000000, 0.0014345000000000, -0.0013941000000000 ] - [ 0.0000847600000000, -0.0007166900000000, 0.0004701200000000 ] - [ 0.0001876100000000, 0.0010333600000000, -0.0007030200000000 ] - [ -0.0002046400000000, -0.0006076400000000, 0.0001484300000000 ] - [ 0.0063841800000000, -0.0151395800000000, -0.0020371400000000 ] - [ -0.0004319900000000, 0.0034852300000000, 0.0000717800000000 ] - [ -0.0003988200000000, -0.0006426500000000, 0.0009001200000000 ] - [ -0.0003716000000000, 0.0007001200000000, 0.0002481800000000 ] - [ 0.0003875400000000, -0.0012072700000000, -0.0005995400000000 ] - [ 0.0005563400000000, 0.0008498500000000, 0.0000267100000000 ] - [ 0.0013756500000000, 0.0044590500000000, 0.0007878800000000 ] - [ -0.0012783300000000, 0.0038225400000000, -0.0003845400000000 ] - [ -0.0008046900000000, 0.0012459100000000, -0.0029779400000000 ] - [ -0.0019541300000000, 0.0023026500000000, 0.0039049500000000 ] - [ -0.0167723600000000, -0.0230137400000000, -0.0103981600000000 ] - [ -0.0000394300000000, 0.0026835700000000, -0.0000134900000000 ] - [ -0.0001306200000000, -0.0015205000000000, 0.0020436200000000 ] - [ -0.0003797700000000, 0.0020459000000000, -0.0006453800000000 ] - [ -0.0000217900000000, -0.0015186600000000, 0.0018988600000000 ] - [ 0.0004598500000000, 0.0024192300000000, -0.0008346000000000 ] - [ -0.0003792000000000, -0.0013561500000000, -0.0002563300000000 ] - [ 0.0001191400000000, 0.0009424600000000, -0.0001296100000000 ] - [ -0.0002063500000000, -0.0007023100000000, 0.0005246100000000 ] - [ 0.0001717200000000, 0.0010259900000000, -0.0001402100000000 ] - [ 0.0007094500000000, 0.0085386100000000, 0.0005458100000000 ] - [ 0.0022737000000000, 0.0090418100000000, 0.0000282500000000 ] - [ -0.0009252500000000, -0.0040421500000000, 0.0013868700000000 ] - [ 0.0004709900000000, 0.0017497200000000, 0.0002177700000000 ] - [ -0.0001076700000000, -0.0026084700000000, -0.0038992400000000 ] - [ -0.0000425000000000, 0.0018438800000000, 0.0009021700000000 ] - [ -0.0002418400000000, -0.0028877900000000, -0.0047092800000000 ] - [ 0.0001573700000000, 0.0019893600000000, 0.0005988100000000 ] - [ -0.0001450800000000, 0.0007438200000000, 0.0022415000000000 ] - [ -0.0002662100000000, 0.0007335900000000, -0.0021913900000000 ] - [ -0.0002280300000000, -0.0087014800000000, 0.0010200200000000 ] - [ 0.0001451200000000, 0.0027318400000000, -0.0002185700000000 ]- atom: 1 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ 0.0941651700000000, -0.0081025900000000, -0.0774718600000000 ] - [ 0.0001936300000000, -0.0005766600000000, -0.0005933500000000 ] - [ 0.0009142500000000, 0.0005191900000000, -0.0008448400000000 ] - [ 0.0010570000000000, -0.0016117600000000, -0.0007670200000000 ] - [ -0.0003335600000000, -0.0000124600000000, 0.0016324700000000 ] - [ 0.0000437100000000, 0.0007100200000000, 0.0005260100000000 ] - [ 0.0003184900000000, 0.0008412400000000, 0.0019443100000000 ] - [ 0.0001042700000000, 0.0004854900000000, 0.0004458900000000 ] - [ 0.0000068400000000, -0.0002965900000000, -0.0045652700000000 ] - [ 0.0001189800000000, -0.0000041300000000, -0.0003297900000000 ] - [ -0.0045733700000000, 0.0066166600000000, -0.0057579600000000 ] - [ 0.0001251600000000, -0.0012828500000000, -0.0014241700000000 ] - [ 0.0001900300000000, -0.0000487200000000, 0.0012489600000000 ] - [ 0.0000008200000000, 0.0004593900000000, 0.0010204100000000 ] - [ 0.0022706500000000, 0.0009107500000000, 0.0028056800000000 ] - [ 0.0000951600000000, 0.0002830800000000, 0.0003828400000000 ] - [ -0.0054873500000000, -0.0057420300000000, -0.0064710100000000 ] - [ -0.0000368000000000, -0.0002820300000000, -0.0012047300000000 ] - [ -0.0097648900000000, -0.0136272200000000, 0.0009779600000000 ] - [ 0.0002268300000000, 0.0004160000000000, 0.0002066600000000 ] - [ -0.0022924900000000, -0.0007902900000000, 0.0054474400000000 ] - [ 0.0001747800000000, 0.0002318700000000, 0.0009821300000000 ] - [ -0.0004897700000000, 0.0002803000000000, 0.0006591600000000 ] - [ -0.0003627900000000, 0.0007047900000000, 0.0006974200000000 ] - [ -0.0005632100000000, -0.0018588300000000, 0.0022149600000000 ] - [ -0.0003087900000000, 0.0000842300000000, 0.0002189300000000 ] - [ -0.0013238300000000, -0.0048142600000000, 0.0023399100000000 ] - [ -0.0001829700000000, 0.0004659900000000, -0.0001452400000000 ] - [ 0.0001048500000000, 0.0017337100000000, 0.0007785900000000 ] - [ 0.0003436800000000, -0.0005540600000000, 0.0007305300000000 ] - [ -0.0117021500000000, 0.0022482900000000, 0.0047541800000000 ] - [ -0.0003109000000000, 0.0003958200000000, -0.0002377000000000 ] - [ -0.0009686400000000, 0.0012355900000000, 0.0014018100000000 ] - [ -0.0003433100000000, -0.0008966700000000, 0.0010350100000000 ] - [ -0.0002342000000000, 0.0000152300000000, 0.0028294800000000 ] - [ -0.0000590700000000, -0.0003408000000000, 0.0000196400000000 ] - [ 0.0012068800000000, 0.0001079300000000, -0.0026159500000000 ] - [ 0.0026698500000000, 0.0050146100000000, -0.0022375900000000 ] - [ 0.0069775200000000, 0.0028188200000000, 0.0134543100000000 ] - [ -0.0001285700000000, 0.0000881500000000, 0.0006375800000000 ] - [ -0.0010699600000000, 0.0000957300000000, -0.0037406600000000 ] - [ -0.0004486600000000, 0.0000413400000000, 0.0001787200000000 ] - [ -0.0000509600000000, 0.0010456700000000, -0.0018223000000000 ] - [ -0.0003776100000000, -0.0001583800000000, -0.0006618600000000 ] - [ 0.0016973100000000, -0.0024087800000000, 0.0000509500000000 ] - [ 0.0005543700000000, 0.0006074800000000, -0.0003341300000000 ] - [ 0.0007046200000000, -0.0014280900000000, 0.0029202000000000 ] - [ 0.0000917100000000, -0.0001191100000000, 0.0012134100000000 ] - [ -0.0008473500000000, -0.0012655800000000, -0.0002779300000000 ] - [ -0.0010416200000000, 0.0010979900000000, -0.0020658400000000 ] - [ -0.0064642500000000, 0.0019502900000000, 0.0037940100000000 ] - [ 0.0001632600000000, -0.0003546000000000, -0.0002759100000000 ] - [ -0.0002291800000000, 0.0042495000000000, 0.0015511700000000 ] - [ 0.0003522700000000, -0.0008804900000000, 0.0004032500000000 ] - [ -0.0014600300000000, 0.0008901200000000, 0.0036580300000000 ] - [ -0.0003228900000000, 0.0002799700000000, 0.0007760200000000 ] - [ -0.0639787400000000, 0.0057053400000000, 0.0315169600000000 ] - [ -0.0004697800000000, 0.0002512400000000, 0.0010659200000000 ] - [ -0.0001762800000000, -0.0010320700000000, -0.0031123600000000 ] - [ -0.0002822500000000, 0.0001828600000000, -0.0005918200000000 ] - [ 0.0006808100000000, 0.0006883400000000, -0.0036901700000000 ] - [ 0.0003908500000000, -0.0004516900000000, -0.0013484500000000 ] - [ -0.0008513500000000, 0.0021734500000000, 0.0019262900000000 ] - [ 0.0005278100000000, 0.0002257000000000, 0.0015038300000000 ] - [ -0.0025331100000000, 0.0045399200000000, -0.0000994900000000 ] - [ -0.0004795200000000, -0.0026709900000000, -0.0001009900000000 ] - [ -0.0038711500000000, 0.0012896100000000, 0.0268351100000000 ] - [ 0.0000002500000000, -0.0000642100000000, 0.0007145800000000 ] - [ 0.0010855900000000, -0.0039851000000000, -0.0028280600000000 ] - [ 0.0002404200000000, 0.0010138100000000, -0.0006504100000000 ] - [ 0.0058874500000000, -0.0052750900000000, 0.0037298300000000 ] - [ 0.0007033000000000, 0.0003874700000000, 0.0006977700000000 ] - [ 0.0008979400000000, 0.0014357200000000, -0.0046409900000000 ] - [ 0.0000463000000000, -0.0002648200000000, -0.0011559300000000 ] - [ -0.0003370400000000, -0.0014889500000000, -0.0026381500000000 ] - [ 0.0000416000000000, 0.0002295900000000, -0.0007942900000000 ] - [ -0.0016142700000000, -0.0035037000000000, 0.0015992100000000 ] - [ -0.0044453900000000, 0.0052781900000000, 0.0070770700000000 ] - [ 0.0011631800000000, 0.0040783100000000, -0.0079828700000000 ] - [ 0.0000995400000000, -0.0000917500000000, -0.0002543100000000 ] - [ 0.0025477700000000, 0.0020036200000000, -0.0042495900000000 ] - [ 0.0004067500000000, -0.0007465400000000, -0.0004496500000000 ] - [ 0.0041832900000000, 0.0035804500000000, 0.0011824200000000 ] - [ 0.0002176600000000, -0.0009114500000000, 0.0008678400000000 ] - [ -0.0001192900000000, -0.0033306800000000, -0.0022386100000000 ] - [ -0.0007288300000000, 0.0015572800000000, -0.0015395800000000 ] - [ -0.0023032100000000, -0.0001856500000000, 0.0090540400000000 ] - [ -0.0000232000000000, -0.0000865000000000, 0.0005019500000000 ]- atom: 1 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ -0.0902132500000000, 0.0070606700000000, 0.0790831600000000 ] - [ -0.0000143200000000, -0.0005008400000000, 0.0003520600000000 ] - [ -0.0010898300000000, -0.0016104400000000, 0.0010771300000000 ] - [ -0.0012237600000000, 0.0005525300000000, 0.0010088400000000 ] - [ 0.0001575600000000, 0.0010958200000000, -0.0013881700000000 ] - [ -0.0002301400000000, 0.0003631600000000, -0.0002865600000000 ] - [ -0.0001434900000000, 0.0002277700000000, -0.0022026700000000 ] - [ 0.0000636000000000, 0.0005939100000000, -0.0006990300000000 ] - [ -0.0000347900000000, -0.0001252400000000, 0.0046042900000000 ] - [ -0.0000462300000000, -0.0004769500000000, 0.0004180700000000 ] - [ 0.0045378100000000, -0.0071170300000000, 0.0056511300000000 ] - [ -0.0001982500000000, 0.0007971200000000, 0.0013390500000000 ] - [ -0.0002666500000000, 0.0005346500000000, -0.0013449600000000 ] - [ -0.0000697500000000, 0.0000047400000000, -0.0011136900000000 ] - [ -0.0022320200000000, -0.0004435500000000, -0.0027469000000000 ] - [ -0.0000127300000000, 0.0002092100000000, -0.0002903300000000 ] - [ 0.0048959300000000, 0.0051050600000000, 0.0054265300000000 ] - [ -0.0004868600000000, -0.0003273300000000, 0.0001241000000000 ] - [ 0.0102141600000000, 0.0129219600000000, 0.0000927000000000 ] - [ 0.0002994400000000, -0.0010398400000000, 0.0008760500000000 ] - [ 0.0028361900000000, 0.0014050700000000, -0.0043873700000000 ] - [ 0.0003508800000000, 0.0003843600000000, 0.0000990000000000 ] - [ -0.0000210800000000, 0.0003206900000000, -0.0017568000000000 ] - [ -0.0001593600000000, -0.0001039000000000, -0.0017890000000000 ] - [ -0.0000094900000000, 0.0009399100000000, -0.0023041300000000 ] - [ -0.0002498300000000, -0.0009881100000000, -0.0003107900000000 ] - [ 0.0019084000000000, 0.0039628800000000, -0.0022666600000000 ] - [ 0.0007355200000000, -0.0013693900000000, 0.0002334800000000 ] - [ 0.0004385800000000, -0.0008398800000000, -0.0006990900000000 ] - [ 0.0002090100000000, 0.0014545300000000, -0.0006466900000000 ] - [ 0.0112898200000000, -0.0013606300000000, -0.0049102700000000 ] - [ -0.0002505900000000, 0.0005057300000000, 0.0001556100000000 ] - [ 0.0005828300000000, -0.0018208600000000, -0.0000037900000000 ] - [ -0.0000525400000000, 0.0003266800000000, 0.0003790600000000 ] - [ 0.0006292800000000, -0.0005647300000000, -0.0042465900000000 ] - [ 0.0004504400000000, -0.0002141700000000, -0.0014273800000000 ] - [ -0.0008208600000000, 0.0004518700000000, 0.0012341400000000 ] - [ -0.0022896900000000, -0.0044752900000000, 0.0008693400000000 ] - [ -0.0072768000000000, -0.0022006700000000, -0.0120426300000000 ] - [ -0.0002612100000000, 0.0004765400000000, 0.0007594200000000 ] - [ 0.0007211700000000, 0.0004469600000000, 0.0051971000000000 ] - [ 0.0001174700000000, 0.0004987100000000, 0.0012612700000000 ] - [ 0.0003858500000000, -0.0005146100000000, 0.0003725500000000 ] - [ 0.0007078700000000, 0.0007104200000000, -0.0007831500000000 ] - [ -0.0013758100000000, 0.0018981900000000, -0.0014871400000000 ] - [ -0.0002165000000000, -0.0011482900000000, -0.0010986200000000 ] - [ -0.0010318100000000, 0.0008804200000000, -0.0015018900000000 ] - [ -0.0004244900000000, -0.0004214400000000, 0.0002191800000000 ] - [ 0.0003636900000000, 0.0007199900000000, 0.0005981700000000 ] - [ 0.0005512500000000, -0.0016308900000000, 0.0023929800000000 ] - [ 0.0068463500000000, -0.0024529000000000, -0.0040535300000000 ] - [ 0.0003133300000000, -0.0001663000000000, -0.0000205400000000 ] - [ 0.0007161500000000, -0.0037781600000000, -0.0018590800000000 ] - [ 0.0001276100000000, 0.0014134400000000, -0.0007030700000000 ] - [ 0.0009864200000000, -0.0003517500000000, -0.0033758700000000 ] - [ -0.0001553100000000, 0.0002460400000000, -0.0004791000000000 ] - [ 0.0601334800000000, -0.0052370800000000, -0.0306956100000000 ] - [ -0.0004077400000000, -0.0000240900000000, -0.0001654800000000 ] - [ -0.0007030300000000, 0.0008171000000000, 0.0040435400000000 ] - [ -0.0005954200000000, -0.0004108800000000, 0.0015007100000000 ] - [ 0.0001995100000000, -0.0009266400000000, 0.0028058500000000 ] - [ 0.0004876800000000, 0.0002356400000000, 0.0004479000000000 ] - [ 0.0017267300000000, -0.0018972400000000, -0.0028156700000000 ] - [ 0.0003553000000000, -0.0000623200000000, -0.0024308300000000 ] - [ 0.0019167300000000, -0.0042978200000000, -0.0003432200000000 ] - [ -0.0001383500000000, 0.0029712300000000, -0.0003494400000000 ] - [ 0.0033808800000000, -0.0014613500000000, -0.0271171900000000 ] - [ 0.0000825900000000, -0.0000058400000000, -0.0004015000000000 ] - [ -0.0017014400000000, 0.0036786500000000, 0.0023990600000000 ] - [ -0.0008690000000000, -0.0012952700000000, 0.0002239200000000 ] - [ -0.0052749600000000, 0.0050373800000000, -0.0033421300000000 ] - [ -0.0000722300000000, -0.0006569900000000, -0.0002798200000000 ] - [ -0.0009914600000000, -0.0013771100000000, 0.0043506300000000 ] - [ -0.0001414600000000, 0.0003435500000000, 0.0008531000000000 ] - [ 0.0004355900000000, 0.0015883500000000, 0.0029595200000000 ] - [ 0.0000492100000000, -0.0001604500000000, 0.0011053500000000 ] - [ 0.0015253400000000, 0.0034631100000000, -0.0019114000000000 ] - [ 0.0043273700000000, -0.0053857600000000, -0.0074060300000000 ] - [ -0.0005574800000000, -0.0038237700000000, 0.0084443200000000 ] - [ 0.0005363600000000, 0.0003660600000000, 0.0006911000000000 ] - [ -0.0022526600000000, -0.0020771100000000, 0.0043505500000000 ] - [ -0.0001553400000000, 0.0006543500000000, 0.0005277000000000 ] - [ -0.0044419900000000, -0.0037022200000000, -0.0013155800000000 ] - [ -0.0004700000000000, 0.0008274900000000, -0.0009454300000000 ] - [ -0.0001374600000000, 0.0034270400000000, 0.0021894700000000 ] - [ 0.0004680000000000, -0.0014664500000000, 0.0014893100000000 ] - [ 0.0024304300000000, 0.0002095100000000, -0.0100228400000000 ] - [ 0.0002756200000000, 0.0001830900000000, -0.0004387600000000 ]- atom: 9 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.0145505800000000, -0.0071661800000000, 0.0074338900000000 ] - [ -0.0000006000000000, -0.0004753100000000, -0.0000699400000000 ] - [ -0.0000793200000000, -0.0011949300000000, 0.0003076200000000 ] - [ 0.0114871300000000, 0.0115076000000000, 0.0010386000000000 ] - [ 0.0000297700000000, 0.0006585000000000, 0.0004353600000000 ] - [ -0.0000269500000000, 0.0004466000000000, 0.0001981800000000 ] - [ 0.0000650800000000, 0.0005294600000000, 0.0024279500000000 ] - [ 0.0001750800000000, 0.0003784600000000, -0.0000136800000000 ] - [ -0.0990767400000000, 0.0782373200000000, -0.0247740100000000 ] - [ -0.0001174600000000, -0.0005232600000000, -0.0000294900000000 ] - [ 0.0015917100000000, -0.0014577200000000, -0.0006562200000000 ] - [ 0.0015960900000000, -0.0001579600000000, 0.0003581800000000 ] - [ -0.0003702000000000, 0.0004271500000000, 0.0000040000000000 ] - [ -0.0004058800000000, 0.0003202400000000, 0.0002742400000000 ] - [ 0.0005872500000000, 0.0008675600000000, 0.0001068600000000 ] - [ 0.0000822300000000, 0.0000311500000000, 0.0000501300000000 ] - [ -0.0035024900000000, -0.0000705500000000, -0.0004092400000000 ] - [ -0.0011899400000000, -0.0007105300000000, -0.0006076200000000 ] - [ 0.0108166300000000, -0.0027661200000000, -0.0027132600000000 ] - [ 0.0004704200000000, -0.0008338600000000, 0.0003309400000000 ] - [ -0.0003245300000000, 0.0003940300000000, 0.0010763600000000 ] - [ 0.0001072300000000, 0.0000243300000000, 0.0007059100000000 ] - [ -0.0000586000000000, 0.0000402200000000, -0.0006712400000000 ] - [ 0.0001155600000000, 0.0002199000000000, -0.0006036100000000 ] - [ 0.0050599400000000, 0.0010355200000000, -0.0008718700000000 ] - [ 0.0000787000000000, -0.0009046500000000, 0.0000096800000000 ] - [ -0.0000124400000000, -0.0007846800000000, 0.0004235700000000 ] - [ -0.0001274100000000, -0.0004727800000000, 0.0000762600000000 ] - [ 0.0010854900000000, 0.0014637400000000, 0.0003852200000000 ] - [ 0.0023936300000000, -0.0011982800000000, -0.0001773900000000 ] - [ -0.0018430900000000, 0.0010482600000000, -0.0000323000000000 ] - [ -0.0003804300000000, 0.0000850300000000, 0.0000189800000000 ] - [ 0.0002316600000000, -0.0000214200000000, 0.0003453100000000 ] - [ -0.0001637300000000, -0.0004214000000000, 0.0007703400000000 ] - [ -0.0006807100000000, 0.0009199900000000, 0.0007198800000000 ] - [ 0.0002931800000000, -0.0011215200000000, 0.0002114900000000 ] - [ 0.0002295400000000, 0.0000484700000000, -0.0005200400000000 ] - [ 0.0011560400000000, 0.0005982900000000, -0.0002694100000000 ] - [ 0.0020815800000000, -0.0092159000000000, -0.0078295600000000 ] - [ -0.0005948100000000, 0.0002843000000000, 0.0004126800000000 ] - [ 0.0019101800000000, 0.0015086600000000, -0.0002346300000000 ] - [ -0.0000525600000000, 0.0000025400000000, 0.0008321400000000 ] - [ -0.0007629600000000, 0.0004158300000000, -0.0008826800000000 ] - [ 0.0000312100000000, -0.0076836800000000, 0.0035030900000000 ] - [ 0.0004004100000000, -0.0003331300000000, -0.0005563400000000 ] - [ 0.0003399800000000, -0.0001719400000000, -0.0005448500000000 ] - [ -0.0017854600000000, 0.0007703100000000, -0.0004395400000000 ] - [ -0.0004070100000000, -0.0005654700000000, 0.0006296700000000 ] - [ -0.0002126600000000, -0.0005611800000000, 0.0002871600000000 ] - [ -0.0017476600000000, -0.0058602700000000, -0.0087208300000000 ] - [ 0.0064537200000000, 0.0066263700000000, 0.0013045100000000 ] - [ 0.0007408700000000, -0.0011282500000000, -0.0006853300000000 ] - [ -0.0000268100000000, 0.0008031900000000, 0.0002762300000000 ] - [ 0.0001759100000000, -0.0000025600000000, 0.0000134300000000 ] - [ 0.0006386100000000, 0.0002442400000000, -0.0015320400000000 ] - [ -0.0001331500000000, 0.0001966600000000, 0.0000664800000000 ] - [ -0.0119102900000000, -0.0027791300000000, 0.0052038100000000 ] - [ -0.0008267800000000, 0.0001615500000000, 0.0007683800000000 ] - [ 0.0008141400000000, -0.0005102100000000, 0.0001627200000000 ] - [ -0.0003246700000000, 0.0001503000000000, 0.0004180800000000 ] - [ -0.0000281800000000, -0.0002949300000000, -0.0001612300000000 ] - [ 0.0001757000000000, 0.0001614400000000, -0.0005761100000000 ] - [ 0.0008849200000000, 0.0008476200000000, -0.0003452800000000 ] - [ 0.0166749000000000, 0.0012275700000000, 0.0028514800000000 ] - [ -0.0004092100000000, 0.0006802000000000, -0.0006223100000000 ] - [ -0.0000314600000000, -0.0004678900000000, -0.0009407800000000 ] - [ 0.0575321300000000, -0.0631166800000000, 0.0187612100000000 ] - [ 0.0007838700000000, -0.0000824100000000, 0.0002076000000000 ] - [ 0.0013595500000000, -0.0041830900000000, -0.0019705300000000 ] - [ -0.0023324900000000, 0.0022491100000000, -0.0003648700000000 ] - [ 0.0003873300000000, -0.0019932400000000, 0.0054123600000000 ] - [ 0.0003159000000000, 0.0003864000000000, 0.0000957400000000 ] - [ 0.0005539600000000, -0.0003821900000000, -0.0011982400000000 ] - [ 0.0002679700000000, 0.0002669700000000, -0.0008958100000000 ] - [ -0.0014009000000000, -0.0003110900000000, -0.0002451900000000 ] - [ -0.0001618500000000, 0.0003782000000000, 0.0001067300000000 ] - [ -0.0004453500000000, 0.0011231800000000, -0.0000242500000000 ] - [ -0.0085350300000000, 0.0030396000000000, -0.0013065700000000 ] - [ -0.0019593200000000, -0.0032342900000000, 0.0072783300000000 ] - [ 0.0003653900000000, 0.0005864800000000, 0.0002987600000000 ] - [ -0.0015845200000000, -0.0001955200000000, -0.0035700100000000 ] - [ 0.0001108900000000, 0.0004179100000000, 0.0001240800000000 ] - [ 0.0001015000000000, -0.0005252700000000, -0.0001626400000000 ] - [ -0.0003713300000000, 0.0013425200000000, 0.0001467500000000 ] - [ -0.0009187500000000, 0.0027235100000000, 0.0008863400000000 ] - [ -0.0003171400000000, -0.0017223500000000, 0.0029391900000000 ] - [ 0.0001322400000000, -0.0006204300000000, -0.0043178600000000 ] - [ 0.0002050900000000, 0.0003457500000000, -0.0001491300000000 ]- atom: 9 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0145274300000000, 0.0062161100000000, -0.0078313400000000 ] - [ 0.0001768100000000, -0.0006008700000000, -0.0001787600000000 ] - [ -0.0000901000000000, 0.0001187300000000, -0.0000623900000000 ] - [ -0.0116673700000000, -0.0127219300000000, -0.0007819800000000 ] - [ -0.0002033600000000, 0.0004176000000000, -0.0001826700000000 ] - [ -0.0001481200000000, 0.0006296700000000, 0.0000543200000000 ] - [ 0.0001094100000000, 0.0005418800000000, -0.0026393000000000 ] - [ -0.0000021300000000, 0.0006995100000000, -0.0002350200000000 ] - [ 0.0989344100000000, -0.0810424200000000, 0.0249728100000000 ] - [ 0.0002035500000000, 0.0000404800000000, 0.0001177900000000 ] - [ -0.0016806400000000, 0.0009848400000000, 0.0005603800000000 ] - [ -0.0016790700000000, -0.0003204900000000, -0.0004493300000000 ] - [ 0.0002854600000000, 0.0000593700000000, -0.0000936800000000 ] - [ 0.0003204300000000, 0.0001615300000000, -0.0003658700000000 ] - [ -0.0005040500000000, -0.0003886100000000, -0.0000133000000000 ] - [ 0.0000058800000000, 0.0004584100000000, 0.0000449200000000 ] - [ 0.0029896400000000, -0.0005374200000000, -0.0007016000000000 ] - [ 0.0006723200000000, 0.0001197900000000, -0.0004848700000000 ] - [ -0.0101703700000000, 0.0021014600000000, 0.0037646600000000 ] - [ 0.0000517800000000, 0.0002312300000000, 0.0007535000000000 ] - [ 0.0008469500000000, 0.0002101900000000, 0.0000126700000000 ] - [ 0.0004148200000000, 0.0005818500000000, 0.0003830700000000 ] - [ -0.0004607000000000, 0.0005634100000000, -0.0004176900000000 ] - [ -0.0006385300000000, 0.0003855500000000, -0.0004796500000000 ] - [ -0.0055904300000000, -0.0019248100000000, 0.0007910800000000 ] - [ -0.0006299500000000, 0.0000172500000000, -0.0001004700000000 ] - [ 0.0005703900000000, -0.0001044200000000, -0.0003334800000000 ] - [ 0.0006898100000000, -0.0004201700000000, 0.0000156700000000 ] - [ -0.0005267800000000, -0.0005606700000000, -0.0002924100000000 ] - [ -0.0018417500000000, 0.0020701400000000, 0.0002614200000000 ] - [ 0.0012891200000000, -0.0001678100000000, -0.0000344500000000 ] - [ -0.0001546900000000, 0.0007956300000000, -0.0001050800000000 ] - [ -0.0006325700000000, -0.0005737500000000, 0.0010761000000000 ] - [ -0.0002374200000000, -0.0001622500000000, 0.0006527100000000 ] - [ 0.0010713900000000, -0.0015057700000000, -0.0021151100000000 ] - [ 0.0001026600000000, 0.0005280500000000, -0.0016137000000000 ] - [ 0.0001664600000000, 0.0005461000000000, -0.0008853600000000 ] - [ -0.0007591000000000, -0.0000153700000000, -0.0011347000000000 ] - [ -0.0024673600000000, 0.0098991900000000, 0.0093075700000000 ] - [ 0.0002000800000000, 0.0003078500000000, 0.0009893900000000 ] - [ -0.0022580600000000, -0.0009753700000000, 0.0016490400000000 ] - [ -0.0002978800000000, 0.0005268300000000, 0.0005961800000000 ] - [ 0.0010980900000000, 0.0001274000000000, -0.0005571400000000 ] - [ 0.0002580200000000, 0.0082197200000000, -0.0049373400000000 ] - [ -0.0000603800000000, -0.0002029900000000, -0.0008743300000000 ] - [ -0.0000032300000000, -0.0003689100000000, -0.0008865700000000 ] - [ 0.0014506800000000, -0.0013070000000000, 0.0018468900000000 ] - [ 0.0000669700000000, 0.0000303800000000, 0.0008029100000000 ] - [ -0.0002697100000000, 0.0000453200000000, 0.0000109600000000 ] - [ 0.0011776000000000, 0.0053849600000000, 0.0090821100000000 ] - [ -0.0059150900000000, -0.0070667500000000, -0.0015840700000000 ] - [ -0.0002580900000000, 0.0006093500000000, 0.0003797700000000 ] - [ 0.0005119600000000, -0.0002831200000000, -0.0005812700000000 ] - [ 0.0003064400000000, 0.0005224400000000, -0.0003115200000000 ] - [ -0.0011206200000000, 0.0002780300000000, 0.0018376900000000 ] - [ -0.0003497600000000, 0.0003233700000000, 0.0002367800000000 ] - [ 0.0110366100000000, 0.0029838900000000, -0.0042868300000000 ] - [ -0.0000521700000000, 0.0000575000000000, 0.0001375000000000 ] - [ -0.0016791800000000, 0.0002897100000000, 0.0007389100000000 ] - [ -0.0005546000000000, -0.0003741900000000, 0.0004810900000000 ] - [ 0.0009081100000000, 0.0000704400000000, -0.0007453600000000 ] - [ 0.0007057000000000, -0.0003818600000000, -0.0003302300000000 ] - [ -0.0000080000000000, -0.0006076700000000, -0.0005417300000000 ] - [ -0.0156842000000000, -0.0009667500000000, -0.0036867200000000 ] - [ -0.0002218100000000, -0.0004159300000000, 0.0001950300000000 ] - [ -0.0006023700000000, 0.0007391500000000, 0.0005087300000000 ] - [ -0.0576037000000000, 0.0651907400000000, -0.0189370800000000 ] - [ -0.0006941700000000, 0.0000026400000000, 0.0001085800000000 ] - [ -0.0019731500000000, 0.0038966600000000, 0.0015332300000000 ] - [ 0.0017242300000000, -0.0025191400000000, -0.0000557600000000 ] - [ 0.0002878800000000, 0.0017639700000000, -0.0050118200000000 ] - [ 0.0003231200000000, -0.0006579200000000, 0.0003354300000000 ] - [ -0.0006432900000000, 0.0004540500000000, 0.0008800600000000 ] - [ -0.0003589700000000, -0.0001909400000000, 0.0005832500000000 ] - [ 0.0014830000000000, 0.0003938900000000, 0.0005339000000000 ] - [ 0.0002506900000000, -0.0003073200000000, 0.0001996700000000 ] - [ 0.0003545900000000, -0.0012041200000000, -0.0002866300000000 ] - [ 0.0084337900000000, -0.0030707600000000, 0.0010055300000000 ] - [ 0.0025573900000000, 0.0034942100000000, -0.0068633800000000 ] - [ 0.0002609400000000, -0.0003228600000000, 0.0001328900000000 ] - [ 0.0021480700000000, 0.0000773800000000, 0.0039663700000000 ] - [ 0.0001452400000000, -0.0005075900000000, -0.0000549600000000 ] - [ -0.0003454100000000, 0.0004440100000000, 0.0000840600000000 ] - [ 0.0001169300000000, -0.0014510400000000, -0.0002281600000000 ] - [ 0.0006639000000000, -0.0026424400000000, -0.0009533400000000 ] - [ 0.0000387900000000, 0.0018090600000000, -0.0029951600000000 ] - [ 0.0001080100000000, 0.0007121200000000, 0.0044029900000000 ] - [ 0.0000476600000000, -0.0002615900000000, 0.0002139900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0110158200000000, -0.0020806600000000, -0.0060258400000000 ] - [ 0.0004552600000000, 0.0013199800000000, 0.0003304700000000 ] - [ -0.0019597200000000, 0.0021612700000000, 0.0003138800000000 ] - [ 0.0189340000000000, 0.0106000800000000, 0.0023547200000000 ] - [ -0.0000980200000000, 0.0003299300000000, -0.0002028500000000 ] - [ -0.0002866100000000, 0.0008333500000000, 0.0002687300000000 ] - [ 0.0002931800000000, -0.0004752600000000, -0.0007839900000000 ] - [ -0.0001164700000000, 0.0015653700000000, -0.0002684400000000 ] - [ 0.0824123000000000, -0.2658221700000000, 0.0129437800000000 ] - [ -0.0002531400000000, 0.0033619600000000, 0.0000475600000000 ] - [ -0.0001029600000000, 0.0016991400000000, -0.0007226200000000 ] - [ 0.0011881900000000, 0.0017085400000000, 0.0015525600000000 ] - [ 0.0001531300000000, 0.0009939100000000, 0.0005005300000000 ] - [ 0.0000446000000000, -0.0003275200000000, -0.0011954700000000 ] - [ -0.0006023300000000, -0.0019806400000000, 0.0001401700000000 ] - [ 0.0002455600000000, 0.0018274200000000, 0.0000353000000000 ] - [ -0.0003670800000000, 0.0182862600000000, -0.0059801600000000 ] - [ -0.0001485900000000, 0.0044382400000000, 0.0005665500000000 ] - [ -0.0022746800000000, -0.0058062500000000, 0.0015969800000000 ] - [ -0.0001842800000000, 0.0025648500000000, 0.0007526900000000 ] - [ 0.0002676400000000, -0.0011457800000000, 0.0002968500000000 ] - [ 0.0005987900000000, 0.0016694900000000, 0.0002491300000000 ] - [ -0.0006554100000000, 0.0015660300000000, 0.0000274700000000 ] - [ -0.0000928300000000, -0.0006168700000000, -0.0010675600000000 ] - [ -0.0028130100000000, -0.0049906600000000, 0.0001897800000000 ] - [ -0.0003348300000000, 0.0019957100000000, -0.0001097600000000 ] - [ -0.0005082900000000, -0.0002713200000000, -0.0012687600000000 ] - [ 0.0011552500000000, 0.0001732000000000, 0.0008331600000000 ] - [ -0.0001340500000000, 0.0023413900000000, 0.0007160500000000 ] - [ -0.0014671100000000, -0.0004810100000000, -0.0015983700000000 ] - [ 0.0005777400000000, -0.0033378700000000, -0.0017998000000000 ] - [ -0.0003111300000000, 0.0028651200000000, -0.0001470900000000 ] - [ -0.0009124000000000, -0.0023174400000000, 0.0030760100000000 ] - [ -0.0000471900000000, 0.0010400000000000, 0.0000304000000000 ] - [ 0.0006037700000000, -0.0012104600000000, 0.0008088600000000 ] - [ -0.0002032600000000, 0.0024782100000000, -0.0033337100000000 ] - [ 0.0001811400000000, 0.0017230000000000, -0.0016121700000000 ] - [ 0.0002794700000000, -0.0015539400000000, 0.0018497200000000 ] - [ -0.0142847000000000, 0.0134476000000000, 0.0187070700000000 ] - [ 0.0003572300000000, 0.0027334600000000, -0.0002541500000000 ] - [ -0.0009703800000000, -0.0032312700000000, -0.0001720500000000 ] - [ 0.0001070600000000, 0.0027392500000000, 0.0008717500000000 ] - [ 0.0012607400000000, 0.0029489500000000, 0.0011747300000000 ] - [ -0.0107177700000000, 0.0219702400000000, -0.0152010100000000 ] - [ 0.0002751200000000, -0.0003400500000000, -0.0011002300000000 ] - [ 0.0000104500000000, 0.0001973800000000, -0.0002035000000000 ] - [ 0.0008325300000000, -0.0047321000000000, 0.0000835800000000 ] - [ 0.0000035800000000, 0.0018224900000000, 0.0006711700000000 ] - [ 0.0015079800000000, 0.0046847500000000, -0.0024152900000000 ] - [ -0.0088455400000000, 0.0069705300000000, 0.0219594700000000 ] - [ 0.0066908600000000, 0.0001441600000000, 0.0025976600000000 ] - [ -0.0010431100000000, 0.0033162300000000, 0.0000623200000000 ] - [ 0.0000551900000000, -0.0016480800000000, 0.0001146700000000 ] - [ 0.0003779700000000, 0.0017893300000000, -0.0003613700000000 ] - [ -0.0016984600000000, -0.0001329900000000, 0.0042332600000000 ] - [ -0.0001326300000000, 0.0017344000000000, -0.0004336600000000 ] - [ 0.0026141000000000, 0.0058677000000000, 0.0011654700000000 ] - [ -0.0003851300000000, -0.0041419500000000, -0.0002163900000000 ] - [ -0.0008354200000000, 0.0023060100000000, 0.0006336400000000 ] - [ -0.0005563200000000, -0.0022817500000000, 0.0004047400000000 ] - [ 0.0007485600000000, 0.0004909600000000, -0.0014876600000000 ] - [ 0.0007822500000000, -0.0010700300000000, -0.0002589200000000 ] - [ 0.0005576700000000, -0.0107355800000000, -0.0034806300000000 ] - [ 0.0041478700000000, 0.0295853800000000, 0.0050926900000000 ] - [ 0.0000637800000000, -0.0015779400000000, 0.0007923600000000 ] - [ -0.0003536800000000, 0.0007242600000000, -0.0020407200000000 ] - [ -0.0669559100000000, 0.1490329600000000, -0.0298271300000000 ] - [ -0.0004843600000000, -0.0057392500000000, 0.0005074200000000 ] - [ -0.0019328800000000, -0.0027555800000000, -0.0040362800000000 ] - [ 0.0065248500000000, -0.0065377800000000, 0.0018092100000000 ] - [ 0.0012925900000000, 0.0127170800000000, -0.0041580900000000 ] - [ 0.0000106600000000, -0.0046103300000000, 0.0014323700000000 ] - [ 0.0003181000000000, 0.0004617800000000, -0.0012753400000000 ] - [ -0.0008067200000000, -0.0007850600000000, 0.0017137600000000 ] - [ 0.0007586400000000, 0.0028424800000000, -0.0003622200000000 ] - [ 0.0002188500000000, -0.0022163800000000, 0.0002638600000000 ] - [ 0.0012625600000000, -0.0040390600000000, 0.0008167400000000 ] - [ -0.0060471400000000, 0.0041199100000000, -0.0062026900000000 ] - [ 0.0032508400000000, 0.0126732600000000, -0.0101879800000000 ] - [ -0.0002398600000000, -0.0035374500000000, 0.0012569400000000 ] - [ 0.0041857500000000, 0.0148358700000000, 0.0034167400000000 ] - [ 0.0001740400000000, -0.0051247200000000, -0.0001537900000000 ] - [ -0.0025941200000000, 0.0001231000000000, 0.0062691000000000 ] - [ -0.0000559000000000, -0.0044525400000000, -0.0031048900000000 ] - [ 0.0006880400000000, -0.0066226000000000, -0.0031383400000000 ] - [ -0.0032331100000000, -0.0000767400000000, 0.0077603400000000 ] - [ 0.0006659300000000, 0.0037254100000000, 0.0033279800000000 ] - [ -0.0000714400000000, -0.0027402900000000, -0.0004314700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0111203700000000, 0.0009840900000000, 0.0057498400000000 ] - [ -0.0002738700000000, -0.0023964700000000, -0.0005707400000000 ] - [ 0.0017618500000000, -0.0032342100000000, -0.0000725200000000 ] - [ -0.0192988500000000, -0.0117313700000000, -0.0021404200000000 ] - [ -0.0000849400000000, 0.0007417800000000, 0.0004389600000000 ] - [ 0.0001074500000000, 0.0002458600000000, -0.0000274900000000 ] - [ -0.0001082700000000, 0.0015527000000000, 0.0005267600000000 ] - [ 0.0003001100000000, -0.0004925700000000, 0.0000312900000000 ] - [ -0.0769272600000000, 0.2622372300000000, -0.0094516100000000 ] - [ 0.0003244400000000, -0.0038401200000000, 0.0000404100000000 ] - [ 0.0000423700000000, -0.0021855800000000, 0.0006377600000000 ] - [ -0.0012668200000000, -0.0021799100000000, -0.0016463100000000 ] - [ -0.0002275800000000, -0.0005190200000000, -0.0005850500000000 ] - [ -0.0001214200000000, 0.0008183200000000, 0.0011137400000000 ] - [ 0.0006740400000000, 0.0024482200000000, -0.0000583800000000 ] - [ -0.0001741500000000, -0.0013536300000000, 0.0000483600000000 ] - [ -0.0001417900000000, -0.0185623900000000, 0.0047467900000000 ] - [ -0.0003797900000000, -0.0050654200000000, -0.0016577600000000 ] - [ 0.0027738300000000, 0.0052370400000000, -0.0005006900000000 ] - [ 0.0007121000000000, -0.0031856000000000, 0.0003311000000000 ] - [ 0.0002519100000000, 0.0017418700000000, 0.0007849000000000 ] - [ -0.0000771800000000, -0.0010575500000000, 0.0008381600000000 ] - [ 0.0001293200000000, -0.0009536600000000, -0.0011093700000000 ] - [ -0.0004334400000000, 0.0012396200000000, -0.0000171800000000 ] - [ 0.0022328600000000, 0.0040812700000000, -0.0002844700000000 ] - [ -0.0002255200000000, -0.0028958800000000, 0.0000245400000000 ] - [ 0.0010572100000000, -0.0006269400000000, 0.0013497000000000 ] - [ -0.0006020400000000, -0.0010635400000000, -0.0007477400000000 ] - [ 0.0006955200000000, -0.0014497900000000, -0.0006297600000000 ] - [ 0.0020452700000000, 0.0014064300000000, 0.0016952200000000 ] - [ -0.0011391200000000, 0.0042176300000000, 0.0017291200000000 ] - [ -0.0002518600000000, -0.0019650700000000, 0.0000561200000000 ] - [ 0.0005200000000000, 0.0017639200000000, -0.0016851700000000 ] - [ -0.0003451200000000, -0.0016044600000000, 0.0013651400000000 ] - [ -0.0002074900000000, 0.0006269600000000, -0.0022169300000000 ] - [ 0.0006033800000000, -0.0030608000000000, 0.0019592600000000 ] - [ 0.0002117400000000, -0.0011713200000000, 0.0002118800000000 ] - [ 0.0001152500000000, 0.0021220700000000, -0.0032496800000000 ] - [ 0.0136727400000000, -0.0127513400000000, -0.0170417800000000 ] - [ -0.0007573600000000, -0.0021692500000000, 0.0016574600000000 ] - [ 0.0006317700000000, 0.0037584400000000, 0.0016120200000000 ] - [ -0.0004400100000000, -0.0022005300000000, 0.0005584200000000 ] - [ -0.0009194900000000, -0.0024135900000000, -0.0025926800000000 ] - [ 0.0111671500000000, -0.0217686500000000, 0.0140257200000000 ] - [ 0.0000650500000000, -0.0001961800000000, -0.0003335800000000 ] - [ 0.0003272100000000, -0.0007262900000000, -0.0012294400000000 ] - [ -0.0011606200000000, 0.0042082600000000, 0.0012909800000000 ] - [ -0.0003390700000000, -0.0023602900000000, 0.0007638800000000 ] - [ -0.0019783700000000, -0.0051900000000000, 0.0027001300000000 ] - [ 0.0084019400000000, -0.0074646800000000, -0.0218243000000000 ] - [ -0.0061620700000000, -0.0006893800000000, -0.0028881200000000 ] - [ 0.0015411200000000, -0.0038498500000000, -0.0003663700000000 ] - [ 0.0004261800000000, 0.0021697600000000, -0.0004133400000000 ] - [ 0.0001028900000000, -0.0012758900000000, 0.0000635400000000 ] - [ 0.0012116600000000, 0.0006379200000000, -0.0039171100000000 ] - [ -0.0003521100000000, -0.0012107200000000, 0.0007353400000000 ] - [ -0.0034980000000000, -0.0056237800000000, -0.0002610700000000 ] - [ -0.0004944300000000, 0.0043647300000000, 0.0011288000000000 ] - [ -0.0000385100000000, -0.0025407500000000, 0.0002878600000000 ] - [ -0.0003201500000000, 0.0020610000000000, 0.0004996000000000 ] - [ 0.0001294600000000, -0.0007051200000000, 0.0005829000000000 ] - [ 0.0000935500000000, 0.0008389900000000, -0.0006475800000000 ] - [ 0.0003265900000000, 0.0109276900000000, 0.0025563700000000 ] - [ -0.0035351800000000, -0.0333620500000000, -0.0071053900000000 ] - [ -0.0006895100000000, 0.0018582700000000, -0.0012175100000000 ] - [ -0.0002788500000000, -0.0004615200000000, 0.0016101500000000 ] - [ 0.0621926900000000, -0.1419432000000000, 0.0277777900000000 ] - [ 0.0005846000000000, 0.0056687700000000, -0.0002043700000000 ] - [ 0.0012868800000000, 0.0025029000000000, 0.0035993300000000 ] - [ -0.0071780200000000, 0.0062519900000000, -0.0022434500000000 ] - [ -0.0006394600000000, -0.0130174600000000, 0.0045317700000000 ] - [ 0.0006138200000000, 0.0043296900000000, -0.0010007100000000 ] - [ -0.0003953800000000, -0.0003769400000000, 0.0009690200000000 ] - [ 0.0007240400000000, 0.0008456600000000, -0.0020320200000000 ] - [ -0.0006693600000000, -0.0027744600000000, 0.0006820500000000 ] - [ -0.0001399400000000, 0.0022907500000000, 0.0000450200000000 ] - [ -0.0013354100000000, 0.0039718200000000, -0.0011224100000000 ] - [ 0.0059648800000000, -0.0042409200000000, 0.0058899900000000 ] - [ -0.0026564400000000, -0.0123106700000000, 0.0106412500000000 ] - [ 0.0008653600000000, 0.0038095500000000, -0.0008357400000000 ] - [ -0.0039111600000000, -0.0149880600000000, -0.0033649800000000 ] - [ 0.0000780900000000, 0.0050432800000000, 0.0002209700000000 ] - [ 0.0023239500000000, -0.0001941000000000, -0.0063032200000000 ] - [ -0.0001995500000000, 0.0043519800000000, 0.0030388000000000 ] - [ -0.0009411800000000, 0.0067098300000000, 0.0030609800000000 ] - [ 0.0029954700000000, 0.0001334400000000, -0.0078512200000000 ] - [ -0.0004172400000000, -0.0036268900000000, -0.0032669300000000 ] - [ 0.0003272500000000, 0.0028281500000000, 0.0005053500000000 ]- atom: 9 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ 0.0018405300000000, -0.0012792900000000, -0.0038031000000000 ] - [ 0.0001014300000000, -0.0004544200000000, -0.0005328700000000 ] - [ 0.0000884100000000, -0.0003338400000000, -0.0012566100000000 ] - [ -0.0048375900000000, -0.0046262100000000, -0.0057144400000000 ] - [ 0.0001005000000000, 0.0005186600000000, 0.0013983400000000 ] - [ 0.0002380500000000, 0.0005419700000000, 0.0013387900000000 ] - [ 0.0007405000000000, 0.0003220100000000, 0.0018136000000000 ] - [ 0.0001886100000000, 0.0005994500000000, 0.0002378700000000 ] - [ 0.0236227900000000, -0.0267712100000000, -0.0445927200000000 ] - [ 0.0000482300000000, -0.0001048100000000, -0.0005139800000000 ] - [ -0.0004277400000000, -0.0010786000000000, -0.0006781900000000 ] - [ -0.0013275300000000, 0.0003353300000000, -0.0011451200000000 ] - [ 0.0001560100000000, 0.0006373200000000, 0.0005523800000000 ] - [ 0.0004186100000000, -0.0008301200000000, 0.0009912300000000 ] - [ -0.0001668000000000, -0.0001496200000000, 0.0016596400000000 ] - [ 0.0000221600000000, 0.0003435100000000, 0.0005560200000000 ] - [ 0.0016425500000000, -0.0052015600000000, -0.0033570300000000 ] - [ 0.0004069900000000, 0.0009360600000000, -0.0019955400000000 ] - [ -0.0043927100000000, 0.0013252900000000, -0.0013984500000000 ] - [ 0.0002831600000000, -0.0005171500000000, -0.0000204700000000 ] - [ 0.0005958200000000, 0.0008518300000000, 0.0026276700000000 ] - [ 0.0002216700000000, 0.0001351100000000, 0.0011426400000000 ] - [ -0.0005812600000000, 0.0007959900000000, 0.0002531000000000 ] - [ -0.0007425800000000, 0.0000590100000000, 0.0009669300000000 ] - [ -0.0009971400000000, -0.0006588000000000, 0.0012013900000000 ] - [ -0.0006095700000000, -0.0000648300000000, -0.0001260700000000 ] - [ 0.0008583700000000, -0.0010405600000000, 0.0006014000000000 ] - [ 0.0009949300000000, 0.0000411400000000, 0.0006841100000000 ] - [ -0.0001625600000000, 0.0006968900000000, -0.0003760600000000 ] - [ 0.0004125700000000, -0.0005854400000000, -0.0004413600000000 ] - [ 0.0002786900000000, -0.0017635300000000, 0.0050932400000000 ] - [ 0.0002024500000000, 0.0009889100000000, -0.0000334600000000 ] - [ -0.0014569700000000, -0.0001687600000000, 0.0044458700000000 ] - [ -0.0004390400000000, -0.0004607800000000, 0.0015427100000000 ] - [ 0.0007863700000000, 0.0007218600000000, -0.0001154600000000 ] - [ 0.0002614400000000, -0.0007322100000000, -0.0000775000000000 ] - [ 0.0002087600000000, 0.0001434800000000, -0.0008775100000000 ] - [ 0.0001310700000000, 0.0008712200000000, -0.0007730200000000 ] - [ -0.0071237100000000, 0.0143580700000000, 0.0053496200000000 ] - [ 0.0000379400000000, -0.0001232100000000, -0.0001005500000000 ] - [ -0.0022146800000000, -0.0008333800000000, 0.0016509300000000 ] - [ -0.0005696600000000, 0.0006528500000000, 0.0003902800000000 ] - [ 0.0003789900000000, 0.0006467800000000, -0.0019620500000000 ] - [ 0.0037930600000000, -0.0057783300000000, -0.0008881100000000 ] - [ 0.0002302900000000, -0.0005305900000000, 0.0000606200000000 ] - [ 0.0001389500000000, -0.0000422300000000, -0.0000004700000000 ] - [ -0.0001576100000000, -0.0016326100000000, 0.0097847100000000 ] - [ 0.0001167200000000, -0.0000044400000000, 0.0008799900000000 ] - [ -0.0004892200000000, -0.0012553100000000, 0.0002834800000000 ] - [ -0.0079321000000000, 0.0166201800000000, 0.0181764400000000 ] - [ -0.0001729500000000, -0.0010082100000000, -0.0036777300000000 ] - [ 0.0005576100000000, -0.0008801800000000, -0.0009551100000000 ] - [ 0.0002402800000000, 0.0001788300000000, 0.0013809500000000 ] - [ 0.0001796500000000, 0.0001116000000000, 0.0004301700000000 ] - [ -0.0013118600000000, 0.0016016200000000, 0.0027496100000000 ] - [ -0.0003621500000000, -0.0003533500000000, 0.0007084600000000 ] - [ 0.0026204600000000, 0.0020192300000000, 0.0031192100000000 ] - [ -0.0004381900000000, -0.0000801800000000, 0.0015609700000000 ] - [ -0.0019283400000000, 0.0006615200000000, -0.0038240800000000 ] - [ -0.0004558400000000, -0.0003265800000000, -0.0002766300000000 ] - [ 0.0010428100000000, -0.0002891000000000, -0.0026428200000000 ] - [ 0.0006852900000000, -0.0000174700000000, -0.0016664100000000 ] - [ -0.0001743300000000, 0.0019150500000000, 0.0016441700000000 ] - [ -0.0041827600000000, 0.0027702000000000, 0.0160254500000000 ] - [ -0.0006386700000000, 0.0006691400000000, -0.0007578500000000 ] - [ -0.0006191300000000, -0.0000502400000000, -0.0015639200000000 ] - [ -0.0111645300000000, 0.0077606400000000, 0.0193161300000000 ] - [ -0.0005428600000000, -0.0001837400000000, 0.0015342700000000 ] - [ -0.0011675000000000, -0.0008207300000000, 0.0015301000000000 ] - [ -0.0009842200000000, 0.0013675900000000, -0.0000006300000000 ] - [ 0.0062517600000000, 0.0012732500000000, -0.0107925000000000 ] - [ 0.0005992500000000, -0.0002739500000000, -0.0001214200000000 ] - [ -0.0004777400000000, -0.0004193400000000, -0.0021979900000000 ] - [ -0.0006212000000000, 0.0005410300000000, -0.0015510700000000 ] - [ 0.0005230400000000, 0.0006600700000000, -0.0039422000000000 ] - [ 0.0002517400000000, -0.0002002700000000, -0.0009199600000000 ] - [ 0.0005269000000000, 0.0004249400000000, 0.0008229900000000 ] - [ 0.0032739700000000, -0.0024626800000000, 0.0022490900000000 ] - [ 0.0057852400000000, -0.0019466000000000, -0.0087396300000000 ] - [ 0.0001431300000000, 0.0002041400000000, 0.0003277600000000 ] - [ -0.0042217300000000, -0.0001390000000000, 0.0062154800000000 ] - [ 0.0002719900000000, -0.0000300200000000, 0.0004269900000000 ] - [ 0.0007519800000000, 0.0031036200000000, -0.0017840700000000 ] - [ 0.0001378000000000, -0.0042922000000000, -0.0016533100000000 ] - [ 0.0003526500000000, -0.0038052200000000, -0.0006504400000000 ] - [ 0.0021256900000000, 0.0058634100000000, -0.0024548100000000 ] - [ -0.0017118400000000, 0.0006784500000000, -0.0023411100000000 ] - [ -0.0000635500000000, -0.0003463300000000, -0.0004309600000000 ]- atom: 9 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ -0.0016138700000000, 0.0001908900000000, 0.0035819300000000 ] - [ 0.0000740400000000, -0.0006201700000000, 0.0002880600000000 ] - [ -0.0002728700000000, -0.0007427000000000, 0.0014870000000000 ] - [ 0.0047150900000000, 0.0035855300000000, 0.0059274900000000 ] - [ -0.0002730300000000, 0.0005622000000000, -0.0011514800000000 ] - [ -0.0004257500000000, 0.0005320700000000, -0.0011050800000000 ] - [ -0.0005570600000000, 0.0007508900000000, -0.0020628800000000 ] - [ -0.0000108800000000, 0.0004777000000000, -0.0004833200000000 ] - [ -0.0241262800000000, 0.0272285000000000, 0.0444116000000000 ] - [ 0.0000297800000000, -0.0003782200000000, 0.0006032400000000 ] - [ 0.0003640900000000, 0.0006012600000000, 0.0005962100000000 ] - [ 0.0012653300000000, -0.0008044500000000, 0.0010675900000000 ] - [ -0.0002336300000000, -0.0001482700000000, -0.0006431900000000 ] - [ -0.0004836500000000, 0.0012883300000000, -0.0010768500000000 ] - [ 0.0002401300000000, 0.0006260700000000, -0.0015717100000000 ] - [ 0.0000521900000000, 0.0001343300000000, -0.0004680900000000 ] - [ -0.0021745900000000, 0.0045691900000000, 0.0022711700000000 ] - [ -0.0009283400000000, -0.0015347300000000, 0.0009176900000000 ] - [ 0.0049444000000000, -0.0019527800000000, 0.0024931000000000 ] - [ 0.0002440200000000, -0.0001015600000000, 0.0011026700000000 ] - [ -0.0000766700000000, -0.0002399600000000, -0.0015371000000000 ] - [ 0.0003068800000000, 0.0004825400000000, -0.0000610000000000 ] - [ 0.0000589400000000, -0.0001848100000000, -0.0013369800000000 ] - [ 0.0002208200000000, 0.0005466600000000, -0.0020514300000000 ] - [ 0.0004138100000000, -0.0002470300000000, -0.0012815200000000 ] - [ 0.0000338700000000, -0.0008449800000000, 0.0000344600000000 ] - [ -0.0003089300000000, 0.0001508400000000, -0.0005107400000000 ] - [ -0.0004511600000000, -0.0009321900000000, -0.0006007000000000 ] - [ 0.0007137400000000, 0.0001990600000000, 0.0004573400000000 ] - [ 0.0001250300000000, 0.0014653700000000, 0.0005172900000000 ] - [ -0.0008484100000000, 0.0026811500000000, -0.0052324600000000 ] - [ -0.0007697300000000, -0.0000882100000000, -0.0000524400000000 ] - [ 0.0010677800000000, -0.0003984800000000, -0.0030466100000000 ] - [ 0.0000478100000000, -0.0001042800000000, -0.0001399000000000 ] - [ -0.0003862600000000, -0.0012797100000000, -0.0013035100000000 ] - [ 0.0001329400000000, 0.0001855700000000, -0.0013366700000000 ] - [ 0.0001819400000000, 0.0004094600000000, -0.0005198000000000 ] - [ 0.0002615400000000, -0.0003237400000000, -0.0006188800000000 ] - [ 0.0066384500000000, -0.0135984900000000, -0.0038845300000000 ] - [ -0.0004279300000000, 0.0006992000000000, 0.0014963100000000 ] - [ 0.0019064600000000, 0.0013780100000000, -0.0002239600000000 ] - [ 0.0002424200000000, -0.0001136700000000, 0.0010496600000000 ] - [ -0.0000382000000000, -0.0001118600000000, 0.0005195500000000 ] - [ -0.0034545800000000, 0.0063129800000000, -0.0005617300000000 ] - [ 0.0001101500000000, 0.0000026800000000, -0.0014934000000000 ] - [ 0.0002057600000000, -0.0004866600000000, -0.0014320600000000 ] - [ -0.0001733600000000, 0.0010762400000000, -0.0082219500000000 ] - [ -0.0004418000000000, -0.0005391600000000, 0.0005560400000000 ] - [ 0.0000046200000000, 0.0007176900000000, 0.0000284700000000 ] - [ 0.0075355400000000, -0.0174333700000000, -0.0180878300000000 ] - [ 0.0006347700000000, 0.0004702000000000, 0.0033746000000000 ] - [ -0.0000801800000000, 0.0003734000000000, 0.0006610900000000 ] - [ 0.0002361800000000, 0.0003296900000000, -0.0016691200000000 ] - [ 0.0002988000000000, 0.0004062600000000, -0.0007272100000000 ] - [ 0.0008265400000000, -0.0010673600000000, -0.0024414500000000 ] - [ -0.0001180300000000, 0.0008826000000000, -0.0004065000000000 ] - [ -0.0035419600000000, -0.0018032800000000, -0.0022244300000000 ] - [ -0.0004382500000000, 0.0002992600000000, -0.0006609800000000 ] - [ 0.0010398800000000, -0.0008762600000000, 0.0047167600000000 ] - [ -0.0004205500000000, 0.0000999000000000, 0.0011809200000000 ] - [ -0.0001639500000000, 0.0000623000000000, 0.0017346800000000 ] - [ 0.0001931700000000, -0.0002013900000000, 0.0007633400000000 ] - [ 0.0010495700000000, -0.0016743000000000, -0.0025361100000000 ] - [ 0.0050380600000000, -0.0026827900000000, -0.0168419800000000 ] - [ 0.0000089700000000, -0.0003999500000000, 0.0003261700000000 ] - [ -0.0000090500000000, 0.0003228900000000, 0.0011284700000000 ] - [ 0.0117188600000000, -0.0085292100000000, -0.0187996600000000 ] - [ 0.0006336100000000, 0.0001077700000000, -0.0012227500000000 ] - [ 0.0005229400000000, 0.0005510600000000, -0.0019428500000000 ] - [ 0.0003744400000000, -0.0016549500000000, -0.0004151300000000 ] - [ -0.0056595600000000, -0.0015059500000000, 0.0112957100000000 ] - [ 0.0000343300000000, 0.0000061000000000, 0.0005430900000000 ] - [ 0.0003874700000000, 0.0004853200000000, 0.0018896400000000 ] - [ 0.0005324100000000, -0.0004616600000000, 0.0012463500000000 ] - [ -0.0004288400000000, -0.0005816900000000, 0.0042504000000000 ] - [ -0.0001588400000000, 0.0002717100000000, 0.0012281600000000 ] - [ -0.0006153000000000, -0.0004923900000000, -0.0011340000000000 ] - [ -0.0033919200000000, 0.0023895000000000, -0.0025920800000000 ] - [ -0.0051189200000000, 0.0021818200000000, 0.0091219600000000 ] - [ 0.0004892500000000, 0.0000668100000000, 0.0001075200000000 ] - [ 0.0045537600000000, 0.0000463100000000, -0.0060626400000000 ] - [ -0.0000186200000000, -0.0000643100000000, -0.0003519500000000 ] - [ -0.0010015800000000, -0.0032164900000000, 0.0016998400000000 ] - [ -0.0003880500000000, 0.0042142200000000, 0.0015791800000000 ] - [ -0.0006018300000000, 0.0038802600000000, 0.0005831400000000 ] - [ -0.0023683600000000, -0.0057294800000000, 0.0023983000000000 ] - [ 0.0019749300000000, -0.0005925000000000, 0.0023919900000000 ] - [ 0.0003152100000000, 0.0004416200000000, 0.0004984600000000 ]- atom: 17 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.0169775200000000, 0.0089941400000000, 0.0028800600000000 ] - [ 0.0000728100000000, -0.0006269300000000, 0.0001263600000000 ] - [ 0.0121805500000000, -0.0117266200000000, -0.0046803900000000 ] - [ -0.0001221900000000, -0.0001380600000000, 0.0000671000000000 ] - [ -0.0010621500000000, -0.0000813400000000, -0.0032932200000000 ] - [ -0.0001339600000000, 0.0006586500000000, 0.0000038900000000 ] - [ 0.0000461700000000, 0.0004646400000000, -0.0002628400000000 ] - [ 0.0000174700000000, 0.0006672400000000, -0.0004267800000000 ] - [ -0.0031999300000000, -0.0003644300000000, 0.0005136600000000 ] - [ -0.0008920000000000, -0.0001258900000000, 0.0003069400000000 ] - [ 0.0105034600000000, 0.0023097500000000, 0.0001631800000000 ] - [ 0.0001633300000000, 0.0001929900000000, 0.0000786600000000 ] - [ -0.0006292500000000, 0.0002566800000000, 0.0000243600000000 ] - [ -0.0001932600000000, 0.0005803500000000, -0.0001719300000000 ] - [ 0.0004203100000000, 0.0000724000000000, -0.0002973500000000 ] - [ 0.0002373600000000, 0.0006265500000000, -0.0002147400000000 ] - [ -0.1147015200000000, -0.0822186200000000, 0.0541132700000000 ] - [ -0.0003620100000000, -0.0001022800000000, -0.0003535500000000 ] - [ 0.0020851500000000, 0.0003866500000000, -0.0002169500000000 ] - [ 0.0020928500000000, -0.0006448200000000, 0.0009132200000000 ] - [ -0.0003986100000000, -0.0001138000000000, 0.0007758000000000 ] - [ 0.0002418900000000, 0.0004963200000000, 0.0004081400000000 ] - [ 0.0002828600000000, 0.0000503700000000, -0.0012452400000000 ] - [ -0.0001633900000000, 0.0003889600000000, -0.0007579000000000 ] - [ 0.0009417000000000, 0.0003244700000000, -0.0004570300000000 ] - [ 0.0001577100000000, -0.0007786900000000, -0.0003629900000000 ] - [ -0.0007710500000000, -0.0012386700000000, 0.0031727000000000 ] - [ 0.0000401700000000, -0.0000954600000000, 0.0000465700000000 ] - [ 0.0017312100000000, 0.0010908200000000, 0.0002289300000000 ] - [ 0.0005002900000000, 0.0005409900000000, -0.0000185400000000 ] - [ -0.0031342600000000, -0.0006541700000000, 0.0002310500000000 ] - [ -0.0009168600000000, 0.0017523300000000, -0.0004929600000000 ] - [ -0.0002334000000000, -0.0003866800000000, 0.0004408500000000 ] - [ 0.0004298100000000, 0.0008150100000000, -0.0007313600000000 ] - [ -0.0005000400000000, -0.0006480800000000, -0.0002836200000000 ] - [ 0.0001910900000000, -0.0000913700000000, -0.0007857400000000 ] - [ 0.0010869600000000, 0.0007701600000000, -0.0001018500000000 ] - [ 0.0004194900000000, 0.0010027700000000, -0.0000640500000000 ] - [ 0.0026876200000000, 0.0054420800000000, -0.0112002300000000 ] - [ -0.0002876800000000, 0.0004457900000000, 0.0007706200000000 ] - [ 0.0031549100000000, -0.0022375000000000, -0.0000540000000000 ] - [ 0.0005149700000000, 0.0011138000000000, 0.0009442200000000 ] - [ -0.0026143900000000, 0.0039792200000000, 0.0062314200000000 ] - [ -0.0000019600000000, 0.0004493400000000, -0.0008447100000000 ] - [ 0.0018586800000000, -0.0003068500000000, -0.0012621900000000 ] - [ 0.0002696700000000, 0.0000617900000000, -0.0006417100000000 ] - [ -0.0007471600000000, 0.0006617600000000, -0.0002025800000000 ] - [ -0.0005764600000000, -0.0001751900000000, 0.0006659100000000 ] - [ -0.0002390000000000, 0.0098034100000000, -0.0048729300000000 ] - [ -0.0004589400000000, -0.0003049000000000, 0.0006136100000000 ] - [ 0.0065899700000000, -0.0039123600000000, 0.0053318300000000 ] - [ 0.0002563900000000, -0.0000556300000000, -0.0002020400000000 ] - [ 0.0000912700000000, 0.0004731200000000, -0.0000336100000000 ] - [ 0.0002288300000000, 0.0000881400000000, -0.0000498900000000 ] - [ 0.0010448900000000, -0.0004837100000000, -0.0024400400000000 ] - [ -0.0002286300000000, 0.0004396000000000, -0.0000239800000000 ] - [ -0.0135424400000000, 0.0051106600000000, 0.0022687400000000 ] - [ -0.0006866200000000, 0.0000192200000000, -0.0000738300000000 ] - [ -0.0000653200000000, -0.0000656400000000, 0.0009950700000000 ] - [ -0.0001930300000000, -0.0002851500000000, 0.0005549200000000 ] - [ -0.0010546900000000, 0.0004297400000000, 0.0010112900000000 ] - [ 0.0003739500000000, -0.0004514100000000, -0.0003127300000000 ] - [ 0.0177840500000000, -0.0008172200000000, -0.0025338200000000 ] - [ 0.0007553600000000, -0.0007393600000000, -0.0007750800000000 ] - [ -0.0017987900000000, 0.0004411000000000, -0.0008598000000000 ] - [ -0.0001373400000000, -0.0003878400000000, -0.0006146800000000 ] - [ 0.0653057200000000, 0.0652708100000000, -0.0331118200000000 ] - [ 0.0004177200000000, -0.0000300800000000, -0.0001864600000000 ] - [ -0.0025273200000000, -0.0016868000000000, -0.0070082100000000 ] - [ -0.0003147700000000, -0.0004643600000000, -0.0001650400000000 ] - [ 0.0011563500000000, 0.0018892300000000, 0.0009446400000000 ] - [ -0.0005871600000000, -0.0020658900000000, 0.0009234000000000 ] - [ 0.0019858400000000, 0.0004344000000000, -0.0000822100000000 ] - [ 0.0000730000000000, -0.0003001100000000, 0.0000363900000000 ] - [ -0.0001346100000000, 0.0001487400000000, 0.0006462200000000 ] - [ -0.0005116400000000, -0.0004059900000000, 0.0014639500000000 ] - [ -0.0084231300000000, -0.0021372500000000, -0.0048363900000000 ] - [ -0.0006588800000000, -0.0016198000000000, -0.0002726500000000 ] - [ -0.0010055300000000, -0.0033127300000000, 0.0046067600000000 ] - [ 0.0005869100000000, 0.0001951600000000, 0.0004974900000000 ] - [ 0.0003975000000000, 0.0020457100000000, -0.0004850600000000 ] - [ -0.0007198400000000, -0.0011373600000000, 0.0000925500000000 ] - [ 0.0088092600000000, 0.0019748000000000, -0.0036910800000000 ] - [ -0.0002049600000000, -0.0007234100000000, -0.0000962400000000 ] - [ 0.0001830400000000, 0.0019664100000000, 0.0030801200000000 ] - [ -0.0001592000000000, -0.0007481700000000, 0.0002019700000000 ] - [ -0.0004115000000000, -0.0002488400000000, -0.0043040400000000 ] - [ 0.0003588400000000, -0.0001868100000000, 0.0000801900000000 ]- atom: 17 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0170474000000000, -0.0102848400000000, -0.0031954400000000 ] - [ 0.0001004500000000, -0.0004525800000000, -0.0003760100000000 ] - [ -0.0123936600000000, 0.0107901400000000, 0.0050030800000000 ] - [ -0.0000330200000000, -0.0009407100000000, 0.0001929000000000 ] - [ 0.0008857600000000, 0.0011555600000000, 0.0035210400000000 ] - [ -0.0000354900000000, 0.0004173400000000, 0.0002471300000000 ] - [ 0.0001269000000000, 0.0006111900000000, 0.0000114300000000 ] - [ 0.0001593300000000, 0.0004086200000000, 0.0001764400000000 ] - [ 0.0032898500000000, -0.0001388700000000, -0.0003943500000000 ] - [ 0.0009732400000000, -0.0003731900000000, -0.0002173800000000 ] - [ -0.0104718100000000, -0.0027347300000000, -0.0002723800000000 ] - [ -0.0002487800000000, -0.0006956600000000, -0.0001738600000000 ] - [ 0.0005508700000000, 0.0002326600000000, -0.0001183200000000 ] - [ 0.0001151900000000, -0.0000942100000000, 0.0000784500000000 ] - [ -0.0003450700000000, 0.0004089300000000, 0.0003857300000000 ] - [ -0.0001622800000000, -0.0001488500000000, 0.0003031900000000 ] - [ 0.1146501700000000, 0.0842756500000000, -0.0560388600000000 ] - [ -0.0001561800000000, -0.0005053400000000, -0.0007362000000000 ] - [ -0.0015810400000000, -0.0009927500000000, 0.0013198700000000 ] - [ -0.0015754000000000, 0.0000404500000000, 0.0001762800000000 ] - [ 0.0009219800000000, 0.0007202400000000, 0.0003124800000000 ] - [ 0.0002754700000000, 0.0001020000000000, 0.0006819000000000 ] - [ -0.0008049000000000, 0.0005616800000000, 0.0001536100000000 ] - [ -0.0003581900000000, 0.0002157900000000, -0.0003324600000000 ] - [ -0.0015058900000000, -0.0012333400000000, 0.0003697700000000 ] - [ -0.0007143900000000, -0.0001185100000000, 0.0002762100000000 ] - [ 0.0013583700000000, 0.0003351000000000, -0.0030776000000000 ] - [ 0.0005164200000000, -0.0008040800000000, 0.0000396000000000 ] - [ -0.0011701600000000, -0.0001746600000000, -0.0001402000000000 ] - [ 0.0000592500000000, 0.0003566500000000, 0.0001088400000000 ] - [ 0.0025652700000000, 0.0015806300000000, -0.0003082000000000 ] - [ 0.0003616100000000, -0.0008566300000000, 0.0004054100000000 ] - [ -0.0001643100000000, -0.0001859600000000, 0.0009622100000000 ] - [ -0.0008279400000000, -0.0013787600000000, 0.0021461700000000 ] - [ 0.0008937300000000, 0.0000758000000000, -0.0011241800000000 ] - [ 0.0002065000000000, -0.0004840500000000, -0.0006269400000000 ] - [ -0.0006891300000000, -0.0001894800000000, -0.0013061100000000 ] - [ -0.0000177100000000, -0.0004382300000000, -0.0013614800000000 ] - [ -0.0030870300000000, -0.0048847100000000, 0.0127301000000000 ] - [ -0.0001088900000000, 0.0001192000000000, 0.0006406800000000 ] - [ -0.0034830400000000, 0.0027654500000000, 0.0014657100000000 ] - [ -0.0008485800000000, -0.0005744600000000, 0.0004921800000000 ] - [ 0.0028640900000000, -0.0034716100000000, -0.0077406900000000 ] - [ 0.0003309900000000, 0.0000952500000000, -0.0005945000000000 ] - [ -0.0015326500000000, -0.0002380200000000, -0.0001750200000000 ] - [ 0.0000628600000000, -0.0006062700000000, -0.0007967700000000 ] - [ 0.0004231000000000, -0.0012150100000000, 0.0016428000000000 ] - [ 0.0002431000000000, -0.0003679800000000, 0.0007677300000000 ] - [ -0.0003085700000000, -0.0103517800000000, 0.0051850400000000 ] - [ -0.0000269000000000, -0.0002315900000000, -0.0003167400000000 ] - [ -0.0060548200000000, 0.0033302800000000, -0.0055527200000000 ] - [ 0.0002243000000000, -0.0004779600000000, -0.0000914800000000 ] - [ 0.0003899500000000, 0.0000518500000000, -0.0002609900000000 ] - [ 0.0002550300000000, 0.0004485300000000, -0.0002497200000000 ] - [ -0.0015318900000000, 0.0010242800000000, 0.0027459000000000 ] - [ -0.0002522600000000, 0.0000851800000000, 0.0003150800000000 ] - [ 0.0126750000000000, -0.0048806200000000, -0.0013783900000000 ] - [ -0.0001896000000000, 0.0002074900000000, 0.0009782200000000 ] - [ -0.0008111500000000, -0.0001559400000000, -0.0000901000000000 ] - [ -0.0006843700000000, 0.0000632200000000, 0.0003534100000000 ] - [ 0.0019270100000000, -0.0006557300000000, -0.0019164200000000 ] - [ 0.0005044200000000, 0.0002315200000000, -0.0005934700000000 ] - [ -0.0167894300000000, 0.0010199400000000, 0.0015917000000000 ] - [ 0.0001199500000000, 0.0009506600000000, -0.0001404000000000 ] - [ 0.0011582600000000, -0.0001613500000000, 0.0004369200000000 ] - [ -0.0005005700000000, 0.0006681200000000, 0.0001845400000000 ] - [ -0.0657152400000000, -0.0678247900000000, 0.0345026500000000 ] - [ -0.0003380900000000, -0.0000337300000000, 0.0004944400000000 ] - [ 0.0019441000000000, 0.0013696400000000, 0.0065715400000000 ] - [ -0.0003137700000000, 0.0001959800000000, -0.0002655800000000 ] - [ -0.0005029800000000, -0.0021606700000000, -0.0005067000000000 ] - [ 0.0012249800000000, 0.0018255100000000, -0.0005188600000000 ] - [ -0.0020684800000000, -0.0003675400000000, -0.0002222600000000 ] - [ -0.0001546300000000, 0.0003748700000000, -0.0003495200000000 ] - [ 0.0002248500000000, -0.0000735100000000, -0.0003355800000000 ] - [ 0.0005992200000000, 0.0004796400000000, -0.0011554700000000 ] - [ 0.0083358700000000, 0.0020316000000000, 0.0045122900000000 ] - [ 0.0005710700000000, 0.0015626800000000, -0.0000404700000000 ] - [ 0.0016329100000000, 0.0035865200000000, -0.0041723700000000 ] - [ 0.0000438200000000, 0.0000848700000000, -0.0000609700000000 ] - [ -0.0001333800000000, -0.0021289500000000, 0.0005516200000000 ] - [ 0.0009862100000000, 0.0010631200000000, -0.0000199100000000 ] - [ -0.0089682700000000, -0.0020486900000000, 0.0033060000000000 ] - [ -0.0000462500000000, 0.0006380900000000, 0.0000263300000000 ] - [ -0.0004484100000000, -0.0018810800000000, -0.0031455500000000 ] - [ -0.0000951400000000, 0.0008415900000000, -0.0002721300000000 ] - [ 0.0006525500000000, 0.0003342600000000, 0.0044084200000000 ] - [ -0.0001068400000000, 0.0002796900000000, -0.0000123100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0166658400000000, 0.0012737000000000, 0.0024553500000000 ] - [ -0.0000340100000000, 0.0010863300000000, -0.0001539300000000 ] - [ -0.0158788900000000, 0.0064627300000000, 0.0069010100000000 ] - [ 0.0018813300000000, 0.0021482600000000, 0.0003375400000000 ] - [ -0.0006102000000000, -0.0007082700000000, -0.0013845600000000 ] - [ -0.0000586200000000, 0.0014000000000000, 0.0000550800000000 ] - [ 0.0001536300000000, 0.0005077200000000, -0.0005441400000000 ] - [ -0.0001107600000000, 0.0008497300000000, -0.0002038000000000 ] - [ 0.0002771500000000, 0.0180016600000000, -0.0052615900000000 ] - [ -0.0003749300000000, 0.0045197200000000, 0.0012277700000000 ] - [ 0.0023691100000000, -0.0057813300000000, -0.0006326900000000 ] - [ 0.0004914900000000, 0.0026358100000000, 0.0004569700000000 ] - [ 0.0000502000000000, -0.0012046200000000, 0.0006190700000000 ] - [ -0.0003216100000000, 0.0016095500000000, -0.0003878300000000 ] - [ 0.0001266800000000, -0.0006861600000000, 0.0003710400000000 ] - [ 0.0003019900000000, 0.0014965500000000, -0.0003732200000000 ] - [ -0.0810812200000000, -0.2336839500000000, 0.0376329300000000 ] - [ -0.0000546600000000, 0.0028716600000000, -0.0003558600000000 ] - [ 0.0006087100000000, 0.0017445100000000, 0.0001724000000000 ] - [ -0.0004244100000000, 0.0017394400000000, 0.0009905300000000 ] - [ -0.0001538100000000, -0.0015591800000000, 0.0011523100000000 ] - [ 0.0004543400000000, 0.0015733400000000, 0.0001804500000000 ] - [ -0.0000013200000000, -0.0006324000000000, -0.0007488100000000 ] - [ -0.0003502500000000, 0.0012360700000000, -0.0006635800000000 ] - [ -0.0003854900000000, -0.0000180100000000, -0.0011411700000000 ] - [ 0.0002163500000000, 0.0002583400000000, 0.0006529500000000 ] - [ -0.0012137900000000, -0.0035638100000000, -0.0020471100000000 ] - [ 0.0000170500000000, 0.0013520300000000, 0.0000895200000000 ] - [ 0.0011870400000000, -0.0015743000000000, 0.0008428600000000 ] - [ 0.0000985800000000, 0.0019599200000000, -0.0002170600000000 ] - [ -0.0012573700000000, 0.0038736200000000, 0.0094222700000000 ] - [ -0.0014166800000000, 0.0043256700000000, -0.0016269100000000 ] - [ -0.0010933900000000, 0.0012086400000000, 0.0019185500000000 ] - [ 0.0010591100000000, -0.0004357800000000, -0.0033053000000000 ] - [ 0.0002253200000000, -0.0029149500000000, -0.0010187500000000 ] - [ 0.0000936300000000, 0.0013777900000000, -0.0010060100000000 ] - [ -0.0001047500000000, 0.0001382700000000, -0.0027475100000000 ] - [ 0.0001787800000000, 0.0017387400000000, 0.0005906300000000 ] - [ 0.0041458700000000, -0.0020998200000000, -0.0088970700000000 ] - [ -0.0004258400000000, 0.0022413700000000, 0.0013538100000000 ] - [ -0.0010556600000000, -0.0008164600000000, 0.0031171700000000 ] - [ 0.0012752300000000, 0.0038454500000000, 0.0001913400000000 ] - [ 0.0055255600000000, 0.0049215000000000, 0.0183166300000000 ] - [ -0.0015815700000000, 0.0045404100000000, -0.0024535600000000 ] - [ 0.0005787300000000, -0.0021533500000000, -0.0012815100000000 ] - [ 0.0002472800000000, 0.0013065600000000, -0.0006084400000000 ] - [ -0.0002860800000000, 0.0001291700000000, -0.0012058800000000 ] - [ -0.0005762600000000, 0.0005340200000000, 0.0013350500000000 ] - [ 0.0130995500000000, 0.0276540500000000, -0.0198532300000000 ] - [ -0.0011590600000000, 0.0029118100000000, 0.0021420100000000 ] - [ -0.0025766200000000, -0.0037680000000000, -0.0039811200000000 ] - [ -0.0000795200000000, 0.0024675600000000, 0.0003525400000000 ] - [ 0.0004022800000000, 0.0010806900000000, 0.0002633100000000 ] - [ 0.0003207500000000, 0.0004016900000000, -0.0007584000000000 ] - [ 0.0006921900000000, -0.0024033000000000, -0.0019180000000000 ] - [ -0.0003561000000000, 0.0019668200000000, 0.0001478600000000 ] - [ -0.0031842300000000, 0.0056300900000000, 0.0014113000000000 ] - [ -0.0006835600000000, -0.0039734400000000, -0.0003481600000000 ] - [ -0.0004000000000000, -0.0003836400000000, 0.0008970900000000 ] - [ -0.0002064300000000, -0.0005323700000000, 0.0004416100000000 ] - [ -0.0002801900000000, 0.0024325300000000, 0.0005680600000000 ] - [ 0.0005152600000000, -0.0021533300000000, -0.0003381600000000 ] - [ -0.0045716700000000, 0.0326256600000000, 0.0054703200000000 ] - [ 0.0003646300000000, -0.0108505500000000, -0.0036950300000000 ] - [ 0.0002915800000000, 0.0019530600000000, 0.0019851500000000 ] - [ -0.0000426000000000, -0.0025355900000000, -0.0011543300000000 ] - [ 0.0645162000000000, 0.1257151700000000, -0.0443622400000000 ] - [ 0.0007164400000000, -0.0052676400000000, -0.0000724000000000 ] - [ -0.0052816000000000, 0.0117157700000000, -0.0010290000000000 ] - [ 0.0008786100000000, -0.0042586800000000, -0.0001828900000000 ] - [ 0.0040830100000000, -0.0045871000000000, -0.0023188300000000 ] - [ -0.0014833600000000, -0.0074239300000000, 0.0064533300000000 ] - [ 0.0006577200000000, 0.0031956500000000, 0.0000026500000000 ] - [ -0.0001182900000000, -0.0019776700000000, 0.0003228000000000 ] - [ 0.0006513700000000, -0.0000324800000000, -0.0005368300000000 ] - [ -0.0008298600000000, -0.0009175000000000, 0.0019731100000000 ] - [ 0.0050785100000000, 0.0011651900000000, 0.0039655500000000 ] - [ -0.0010680100000000, -0.0038127500000000, -0.0015910600000000 ] - [ -0.0008665400000000, -0.0004237000000000, 0.0056308000000000 ] - [ 0.0003987300000000, -0.0022302600000000, -0.0003684000000000 ] - [ 0.0033851300000000, -0.0002909300000000, 0.0045311400000000 ] - [ -0.0013779100000000, -0.0037447600000000, -0.0020617400000000 ] - [ 0.0001404700000000, 0.0168766200000000, 0.0028437800000000 ] - [ -0.0002815800000000, -0.0050343300000000, -0.0003543700000000 ] - [ 0.0012375800000000, 0.0044237200000000, -0.0043611500000000 ] - [ -0.0006716500000000, -0.0032990500000000, 0.0018039000000000 ] - [ -0.0017866000000000, 0.0031407000000000, -0.0053645200000000 ] - [ 0.0004979700000000, -0.0025316700000000, 0.0013266100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0166648800000000, -0.0023435200000000, -0.0027406300000000 ] - [ 0.0002075900000000, -0.0021653000000000, -0.0000905700000000 ] - [ 0.0156128200000000, -0.0075432700000000, -0.0066000000000000 ] - [ -0.0020716300000000, -0.0032327300000000, -0.0000952700000000 ] - [ 0.0004468000000000, 0.0017927200000000, 0.0016640100000000 ] - [ -0.0001120800000000, -0.0003222800000000, 0.0001887500000000 ] - [ 0.0000209900000000, 0.0005720000000000, 0.0003028100000000 ] - [ 0.0002822000000000, 0.0002249800000000, -0.0000417000000000 ] - [ -0.0001996000000000, -0.0188482900000000, 0.0055186000000000 ] - [ 0.0004521400000000, -0.0049943200000000, -0.0011301700000000 ] - [ -0.0024870400000000, 0.0052610400000000, 0.0005307400000000 ] - [ -0.0005674400000000, -0.0031150400000000, -0.0005486000000000 ] - [ -0.0001253400000000, 0.0016843600000000, -0.0007012700000000 ] - [ 0.0002441100000000, -0.0011246600000000, 0.0003017000000000 ] - [ -0.0000475000000000, 0.0011804400000000, -0.0002799200000000 ] - [ -0.0002257700000000, -0.0010192200000000, 0.0004597500000000 ] - [ 0.0854678300000000, 0.2340441800000000, -0.0431443700000000 ] - [ -0.0004685800000000, -0.0034763400000000, -0.0007331100000000 ] - [ -0.0000781800000000, -0.0023369400000000, 0.0009119900000000 ] - [ 0.0009494400000000, -0.0023454000000000, 0.0001016900000000 ] - [ 0.0006779600000000, 0.0021720100000000, -0.0000615700000000 ] - [ 0.0000662200000000, -0.0009761200000000, 0.0009065900000000 ] - [ -0.0005199000000000, 0.0012284100000000, -0.0003371800000000 ] - [ -0.0001722000000000, -0.0006292000000000, -0.0004212100000000 ] - [ -0.0001726000000000, -0.0008709700000000, 0.0010528400000000 ] - [ -0.0007729000000000, -0.0011538900000000, -0.0007385400000000 ] - [ 0.0018117200000000, 0.0026479600000000, 0.0021795000000000 ] - [ 0.0005389100000000, -0.0022467200000000, -0.0000033400000000 ] - [ -0.0006262700000000, 0.0024668500000000, -0.0007545300000000 ] - [ 0.0004629700000000, -0.0010657800000000, 0.0003083500000000 ] - [ 0.0006900200000000, -0.0029828500000000, -0.0096077400000000 ] - [ 0.0008462800000000, -0.0034148700000000, 0.0015246600000000 ] - [ 0.0006974300000000, -0.0017722300000000, -0.0005095100000000 ] - [ -0.0014489800000000, -0.0001577300000000, 0.0046862100000000 ] - [ 0.0001739800000000, 0.0023453300000000, -0.0003826500000000 ] - [ 0.0003057300000000, -0.0019524500000000, -0.0004000600000000 ] - [ 0.0005047700000000, 0.0004168600000000, 0.0013348200000000 ] - [ 0.0002169200000000, -0.0011673600000000, -0.0019986800000000 ] - [ -0.0045779200000000, 0.0027330000000000, 0.0103688000000000 ] - [ 0.0000252600000000, -0.0016774200000000, 0.0000612500000000 ] - [ 0.0007260700000000, 0.0013724000000000, -0.0016962100000000 ] - [ -0.0015885600000000, -0.0032858800000000, 0.0012383700000000 ] - [ -0.0051957600000000, -0.0044205800000000, -0.0196495800000000 ] - [ 0.0019234400000000, -0.0040212400000000, 0.0010362800000000 ] - [ -0.0002597000000000, 0.0016129000000000, -0.0001429900000000 ] - [ 0.0000851700000000, -0.0018437000000000, -0.0008283600000000 ] - [ -0.0000442800000000, -0.0006649700000000, 0.0026505200000000 ] - [ 0.0002436800000000, -0.0010743200000000, 0.0000997300000000 ] - [ -0.0133705300000000, -0.0277366500000000, 0.0198303700000000 ] - [ 0.0006904700000000, -0.0034304400000000, -0.0018748200000000 ] - [ 0.0030432600000000, 0.0032854800000000, 0.0036708800000000 ] - [ 0.0005633300000000, -0.0029942800000000, -0.0006421400000000 ] - [ 0.0000803700000000, -0.0005510000000000, -0.0005560400000000 ] - [ 0.0001601900000000, 0.0001066300000000, 0.0004673200000000 ] - [ -0.0011779900000000, 0.0029333600000000, 0.0022190500000000 ] - [ -0.0001246200000000, -0.0014505000000000, 0.0001435500000000 ] - [ 0.0023159500000000, -0.0054363200000000, -0.0005079700000000 ] - [ -0.0001962900000000, 0.0041988400000000, 0.0012452000000000 ] - [ -0.0004759300000000, 0.0001525100000000, 0.0000028700000000 ] - [ -0.0006672200000000, 0.0003187500000000, 0.0004593500000000 ] - [ 0.0011630300000000, -0.0026588600000000, -0.0014852200000000 ] - [ 0.0003616900000000, 0.0019318900000000, -0.0005648000000000 ] - [ 0.0049715200000000, -0.0285752600000000, -0.0051545900000000 ] - [ 0.0005167000000000, 0.0111245100000000, 0.0028129200000000 ] - [ -0.0009271700000000, -0.0016372400000000, -0.0024086300000000 ] - [ -0.0005867600000000, 0.0028084200000000, 0.0007289800000000 ] - [ -0.0687491200000000, -0.1307977400000000, 0.0477550000000000 ] - [ -0.0006284500000000, 0.0051945000000000, 0.0003811800000000 ] - [ 0.0046882100000000, -0.0119757800000000, 0.0006574900000000 ] - [ -0.0015106700000000, 0.0039904100000000, -0.0002459200000000 ] - [ -0.0034743400000000, 0.0042896500000000, 0.0027665400000000 ] - [ 0.0021103700000000, 0.0071671800000000, -0.0060145600000000 ] - [ -0.0007521000000000, -0.0031257700000000, -0.0003282900000000 ] - [ 0.0000380500000000, 0.0020523900000000, -0.0006356700000000 ] - [ -0.0005721500000000, 0.0000965000000000, 0.0008428900000000 ] - [ 0.0009109700000000, 0.0010009100000000, -0.0016631200000000 ] - [ -0.0051698300000000, -0.0012044700000000, -0.0042623600000000 ] - [ 0.0009942200000000, 0.0037310600000000, 0.0012874900000000 ] - [ 0.0014971500000000, 0.0006803200000000, -0.0052015700000000 ] - [ 0.0002264100000000, 0.0025149500000000, 0.0007894600000000 ] - [ -0.0031672300000000, 0.0001812900000000, -0.0044812100000000 ] - [ 0.0016307100000000, 0.0036666600000000, 0.0021285900000000 ] - [ -0.0004219400000000, -0.0169196800000000, -0.0028302100000000 ] - [ 0.0000304300000000, 0.0049394100000000, 0.0002891500000000 ] - [ -0.0014934600000000, -0.0043273600000000, 0.0042887700000000 ] - [ 0.0004260200000000, 0.0033942200000000, -0.0018913700000000 ] - [ 0.0020364900000000, -0.0030824100000000, 0.0054380200000000 ] - [ -0.0002431000000000, 0.0026340200000000, -0.0012467600000000 ]- atom: 17 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ -0.0068734900000000, -0.0041325000000000, -0.0070222700000000 ] - [ -0.0001425100000000, -0.0004720000000000, -0.0010250800000000 ] - [ -0.0125506700000000, 0.0092792900000000, -0.0007641800000000 ] - [ -0.0006928300000000, -0.0011914300000000, -0.0005156800000000 ] - [ 0.0017346700000000, 0.0014406500000000, 0.0073061700000000 ] - [ 0.0001193400000000, 0.0004622200000000, 0.0007132600000000 ] - [ 0.0003375400000000, 0.0005953100000000, 0.0013054300000000 ] - [ 0.0004568000000000, 0.0003753400000000, 0.0014008000000000 ] - [ 0.0016742500000000, -0.0049332700000000, -0.0029093400000000 ] - [ 0.0004123100000000, 0.0006775000000000, -0.0015630500000000 ] - [ -0.0077305800000000, -0.0023301200000000, -0.0035667900000000 ] - [ -0.0003140500000000, -0.0006296600000000, -0.0007539800000000 ] - [ 0.0007073600000000, 0.0000243100000000, 0.0022447400000000 ] - [ 0.0001789800000000, -0.0001774000000000, 0.0006881900000000 ] - [ -0.0001983300000000, 0.0007786100000000, 0.0016772400000000 ] - [ -0.0001744600000000, -0.0004495400000000, 0.0008972400000000 ] - [ 0.1020734300000000, 0.0753261900000000, -0.1273218400000000 ] - [ -0.0000470800000000, -0.0002319300000000, -0.0013597000000000 ] - [ -0.0002575300000000, -0.0010083200000000, -0.0006432900000000 ] - [ -0.0012686600000000, 0.0001766400000000, -0.0011714800000000 ] - [ 0.0007697600000000, 0.0010312300000000, 0.0025174000000000 ] - [ 0.0001464700000000, -0.0001135600000000, 0.0013743500000000 ] - [ -0.0011378900000000, 0.0006160100000000, 0.0017892800000000 ] - [ -0.0004935800000000, 0.0003666400000000, 0.0004981200000000 ] - [ -0.0019409100000000, -0.0029089100000000, 0.0013704700000000 ] - [ -0.0003308200000000, 0.0004134300000000, 0.0005008600000000 ] - [ 0.0061564000000000, -0.0014527000000000, 0.0046843300000000 ] - [ 0.0004253600000000, -0.0006357400000000, 0.0000975400000000 ] - [ 0.0009258900000000, 0.0008885300000000, 0.0004476000000000 ] - [ 0.0002127200000000, -0.0000531100000000, 0.0000044500000000 ] - [ 0.0013769600000000, 0.0083595100000000, 0.0040792300000000 ] - [ 0.0006440400000000, -0.0015071800000000, 0.0004025800000000 ] - [ -0.0009415600000000, 0.0009134800000000, 0.0019956700000000 ] - [ -0.0011647300000000, -0.0029078800000000, 0.0035164700000000 ] - [ 0.0007754000000000, -0.0003895300000000, 0.0023982800000000 ] - [ 0.0000498100000000, -0.0001997600000000, 0.0000341000000000 ] - [ 0.0002200500000000, -0.0009234800000000, -0.0027725200000000 ] - [ 0.0002211200000000, 0.0004843900000000, -0.0019250800000000 ] - [ -0.0111032100000000, -0.0104884000000000, 0.0217520600000000 ] - [ -0.0000940400000000, 0.0002430500000000, 0.0003261300000000 ] - [ -0.0041513800000000, 0.0036863500000000, -0.0000177800000000 ] - [ -0.0013042100000000, -0.0013082800000000, 0.0000723900000000 ] - [ 0.0076517400000000, 0.0112852600000000, 0.0109668300000000 ] - [ 0.0003759900000000, -0.0005808800000000, -0.0006695600000000 ] - [ -0.0019458500000000, -0.0004685700000000, 0.0014141400000000 ] - [ 0.0001802800000000, -0.0004208100000000, -0.0004970700000000 ] - [ 0.0009145900000000, -0.0021249300000000, 0.0031207200000000 ] - [ 0.0000277300000000, 0.0004181600000000, 0.0016696800000000 ] - [ -0.0044327000000000, -0.0173162900000000, 0.0042921900000000 ] - [ 0.0001884900000000, 0.0007972900000000, -0.0019015300000000 ] - [ 0.0022185500000000, -0.0011260800000000, -0.0018815900000000 ] - [ 0.0003528200000000, 0.0000008000000000, -0.0007944300000000 ] - [ 0.0004396100000000, 0.0008903700000000, 0.0005754500000000 ] - [ 0.0002557500000000, -0.0011670100000000, 0.0009143700000000 ] - [ -0.0023726800000000, 0.0015886300000000, 0.0060493500000000 ] - [ -0.0004043500000000, 0.0002793400000000, 0.0008862300000000 ] - [ 0.0061756800000000, -0.0023855000000000, 0.0052956900000000 ] - [ -0.0002010400000000, 0.0001876300000000, 0.0021832200000000 ] - [ -0.0009047300000000, -0.0004505400000000, -0.0021207300000000 ] - [ -0.0004731500000000, 0.0001738300000000, -0.0016780500000000 ] - [ 0.0026314300000000, -0.0008892400000000, -0.0054462500000000 ] - [ 0.0005470700000000, 0.0002428600000000, -0.0013930600000000 ] - [ -0.0102475700000000, 0.0039671800000000, 0.0191241300000000 ] - [ 0.0000183600000000, 0.0026106800000000, 0.0017544100000000 ] - [ -0.0023225800000000, 0.0045999800000000, -0.0003743800000000 ] - [ -0.0005792500000000, -0.0001209200000000, -0.0000208300000000 ] - [ -0.0591909500000000, -0.0700369600000000, 0.0553976300000000 ] - [ 0.0000439000000000, -0.0004009800000000, 0.0014807800000000 ] - [ -0.0063847700000000, 0.0021129200000000, -0.0030741500000000 ] - [ -0.0003346700000000, 0.0003284300000000, -0.0002975900000000 ] - [ 0.0025812200000000, -0.0063873800000000, 0.0012974800000000 ] - [ 0.0011898400000000, 0.0039181300000000, -0.0010146500000000 ] - [ -0.0024414700000000, -0.0005641700000000, -0.0056668200000000 ] - [ -0.0001738700000000, 0.0003589900000000, -0.0013794300000000 ] - [ 0.0001897200000000, -0.0004539400000000, -0.0025115800000000 ] - [ 0.0006750100000000, 0.0008944800000000, -0.0034221700000000 ] - [ 0.0064434600000000, 0.0021861700000000, 0.0072398900000000 ] - [ 0.0004644700000000, 0.0007768300000000, 0.0015832700000000 ] - [ 0.0016386300000000, 0.0070034100000000, -0.0093277700000000 ] - [ 0.0001054200000000, -0.0007521800000000, -0.0002735500000000 ] - [ -0.0001032400000000, 0.0013330800000000, -0.0007052300000000 ] - [ -0.0008291700000000, -0.0027339400000000, -0.0004013200000000 ] - [ -0.0077074100000000, -0.0014424300000000, 0.0136358200000000 ] - [ -0.0000320400000000, 0.0004185700000000, 0.0002742900000000 ] - [ 0.0016236700000000, -0.0042986300000000, -0.0053858800000000 ] - [ -0.0001329200000000, 0.0017911100000000, -0.0006795800000000 ] - [ -0.0022321700000000, -0.0028249500000000, 0.0010370100000000 ] - [ -0.0001929600000000, 0.0010882300000000, -0.0000377000000000 ]- atom: 17 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ 0.0070975600000000, 0.0030752600000000, 0.0067496300000000 ] - [ 0.0003268800000000, -0.0006064000000000, 0.0007905800000000 ] - [ 0.0123885300000000, -0.0103096700000000, 0.0009564300000000 ] - [ 0.0005294200000000, 0.0001219400000000, 0.0007625000000000 ] - [ -0.0019412200000000, -0.0003762600000000, -0.0071456900000000 ] - [ -0.0002919700000000, 0.0006156500000000, -0.0004683700000000 ] - [ -0.0001594500000000, 0.0004769000000000, -0.0015555700000000 ] - [ -0.0002778800000000, 0.0007013200000000, -0.0016499700000000 ] - [ -0.0015906300000000, 0.0044702300000000, 0.0030035600000000 ] - [ -0.0003419300000000, -0.0011739400000000, 0.0016528500000000 ] - [ 0.0077214000000000, 0.0018671800000000, 0.0035249500000000 ] - [ 0.0002404800000000, 0.0001487700000000, 0.0006695700000000 ] - [ -0.0007873500000000, 0.0004657500000000, -0.0023503400000000 ] - [ -0.0002549600000000, 0.0006596600000000, -0.0007820500000000 ] - [ 0.0002708800000000, -0.0003170900000000, -0.0015954200000000 ] - [ 0.0002463300000000, 0.0009272300000000, -0.0008154500000000 ] - [ -0.1019497100000000, -0.0734382700000000, 0.1274645100000000 ] - [ -0.0004789900000000, -0.0003814400000000, 0.0002810300000000 ] - [ 0.0007853700000000, 0.0004211500000000, 0.0017366300000000 ] - [ 0.0017953400000000, -0.0007920600000000, 0.0022624600000000 ] - [ -0.0002489100000000, -0.0004310300000000, -0.0014360500000000 ] - [ 0.0003733900000000, 0.0007157600000000, -0.0002883600000000 ] - [ 0.0006143000000000, 0.0000072100000000, -0.0028868200000000 ] - [ -0.0000318100000000, 0.0002400400000000, -0.0015846400000000 ] - [ 0.0013646200000000, 0.0019975100000000, -0.0014590700000000 ] - [ -0.0002236100000000, -0.0013068200000000, -0.0005923600000000 ] - [ -0.0056638900000000, 0.0005679000000000, -0.0046068400000000 ] - [ 0.0001304800000000, -0.0002568100000000, -0.0000076500000000 ] - [ -0.0003724800000000, 0.0000060600000000, -0.0003723000000000 ] - [ 0.0003397200000000, 0.0009453800000000, 0.0000791300000000 ] - [ -0.0019765700000000, -0.0075337300000000, -0.0041942900000000 ] - [ -0.0012070800000000, 0.0024097400000000, -0.0004893100000000 ] - [ 0.0005510600000000, -0.0014895300000000, -0.0006006900000000 ] - [ 0.0007722400000000, 0.0023859400000000, -0.0021182700000000 ] - [ -0.0003735000000000, -0.0001783300000000, -0.0038376000000000 ] - [ 0.0003509300000000, -0.0003659700000000, -0.0014545800000000 ] - [ 0.0001795600000000, 0.0014934300000000, 0.0013888600000000 ] - [ 0.0001779600000000, 0.0000798400000000, 0.0005278900000000 ] - [ 0.0105143500000000, 0.0109192000000000, -0.0200130100000000 ] - [ -0.0002997400000000, 0.0003144600000000, 0.0010760500000000 ] - [ 0.0038643700000000, -0.0031844200000000, 0.0014674900000000 ] - [ 0.0009792000000000, 0.0018542500000000, 0.0013693400000000 ] - [ -0.0072547500000000, -0.0106607900000000, -0.0124131100000000 ] - [ -0.0000455400000000, 0.0011277800000000, -0.0007710500000000 ] - [ 0.0023311900000000, -0.0000619900000000, -0.0028625300000000 ] - [ 0.0001542900000000, -0.0001151200000000, -0.0009361600000000 ] - [ -0.0012395800000000, 0.0015701900000000, -0.0016852000000000 ] - [ -0.0003625300000000, -0.0009550900000000, -0.0002446500000000 ] - [ 0.0039240400000000, 0.0169088600000000, -0.0039368000000000 ] - [ -0.0006772900000000, -0.0013335900000000, 0.0022153700000000 ] - [ -0.0017747200000000, 0.0006249800000000, 0.0015395400000000 ] - [ 0.0001290400000000, -0.0005239800000000, 0.0005021400000000 ] - [ 0.0000412300000000, -0.0003741600000000, -0.0008683200000000 ] - [ 0.0002279300000000, 0.0017012000000000, -0.0012094700000000 ] - [ 0.0018813100000000, -0.0010507800000000, -0.0057356800000000 ] - [ -0.0000769800000000, 0.0002371300000000, -0.0006020100000000 ] - [ -0.0070823600000000, 0.0026108700000000, -0.0044258700000000 ] - [ -0.0006770900000000, 0.0000378400000000, -0.0012875800000000 ] - [ 0.0000282400000000, 0.0002343700000000, 0.0030295200000000 ] - [ -0.0004009700000000, -0.0004034800000000, 0.0025936900000000 ] - [ -0.0017703800000000, 0.0006707000000000, 0.0045711600000000 ] - [ 0.0003300900000000, -0.0004661700000000, 0.0004923300000000 ] - [ 0.0112196100000000, -0.0033743100000000, -0.0201144000000000 ] - [ 0.0008624100000000, -0.0024196300000000, -0.0026792700000000 ] - [ 0.0016860300000000, -0.0043611700000000, -0.0000833400000000 ] - [ -0.0000433000000000, 0.0004003000000000, -0.0004158900000000 ] - [ 0.0578410800000000, 0.0668310300000000, -0.0548114700000000 ] - [ 0.0000389700000000, 0.0003415900000000, -0.0011751700000000 ] - [ 0.0057970000000000, -0.0023975700000000, 0.0027338000000000 ] - [ -0.0002991600000000, -0.0006025100000000, -0.0001313000000000 ] - [ -0.0019529900000000, 0.0061413900000000, -0.0008862100000000 ] - [ -0.0005485000000000, -0.0041723400000000, 0.0014023000000000 ] - [ 0.0023763900000000, 0.0006399500000000, 0.0053977000000000 ] - [ 0.0000886500000000, -0.0002864500000000, 0.0010740100000000 ] - [ -0.0000990200000000, 0.0005394500000000, 0.0028281100000000 ] - [ -0.0005896800000000, -0.0008326600000000, 0.0037524300000000 ] - [ -0.0065723300000000, -0.0022485700000000, -0.0075902900000000 ] - [ -0.0005575100000000, -0.0008617800000000, -0.0019038100000000 ] - [ -0.0010147600000000, -0.0067046600000000, 0.0097543700000000 ] - [ 0.0005300800000000, 0.0010271700000000, 0.0007111600000000 ] - [ 0.0003654600000000, -0.0014387200000000, 0.0008078500000000 ] - [ 0.0010902300000000, 0.0026640000000000, 0.0004870600000000 ] - [ 0.0082418500000000, 0.0015083300000000, -0.0152979900000000 ] - [ -0.0002186100000000, -0.0005128100000000, -0.0003536300000000 ] - [ -0.0018794100000000, 0.0043648500000000, 0.0053518000000000 ] - [ -0.0001187800000000, -0.0016952600000000, 0.0006206000000000 ] - [ 0.0024829700000000, 0.0029275300000000, -0.0010030100000000 ] - [ 0.0004454800000000, -0.0010018600000000, 0.0001005100000000 ]- atom: 25 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ -0.0008346700000000, -0.0013392500000000, -0.0009134200000000 ] - [ -0.0001729700000000, -0.0003803400000000, -0.0003006300000000 ] - [ -0.0006236700000000, 0.0000075200000000, -0.0006799800000000 ] - [ -0.0012133300000000, -0.0008795500000000, -0.0022743600000000 ] - [ -0.0001831300000000, 0.0002308400000000, -0.0001218700000000 ] - [ 0.0000546000000000, 0.0006423100000000, 0.0002599800000000 ] - [ 0.0100586600000000, 0.0023084500000000, -0.0077859700000000 ] - [ -0.0001250000000000, 0.0006544100000000, -0.0002684300000000 ] - [ 0.0053275500000000, -0.0027488100000000, 0.0020030200000000 ] - [ 0.0003937200000000, -0.0003006100000000, -0.0001249200000000 ] - [ -0.0004405100000000, -0.0011044000000000, 0.0005599800000000 ] - [ -0.0003303400000000, 0.0005445400000000, 0.0004603500000000 ] - [ 0.0007641900000000, -0.0001799000000000, -0.0001257200000000 ] - [ 0.0020657400000000, -0.0015269100000000, 0.0012342900000000 ] - [ -0.0015194500000000, -0.0006171700000000, -0.0001668800000000 ] - [ -0.0000776500000000, 0.0002692700000000, 0.0005357200000000 ] - [ 0.0009609300000000, -0.0004038000000000, -0.0017659500000000 ] - [ 0.0001768900000000, 0.0001934200000000, -0.0003756800000000 ] - [ -0.0007812500000000, 0.0012037300000000, 0.0066231700000000 ] - [ 0.0000349900000000, -0.0000501500000000, 0.0005857600000000 ] - [ 0.0017055100000000, 0.0012295200000000, 0.0020389500000000 ] - [ 0.0004839800000000, 0.0001105000000000, 0.0005974200000000 ] - [ -0.0008999900000000, 0.0014206700000000, 0.0001587100000000 ] - [ -0.0030922800000000, 0.0013175900000000, -0.0001734000000000 ] - [ -0.2540140500000000, -0.1267340700000000, -0.0495329900000000 ] - [ -0.0009703400000000, -0.0003159400000000, -0.0003109700000000 ] - [ 0.0003439300000000, -0.0004901800000000, 0.0002023900000000 ] - [ 0.0003306400000000, -0.0003014900000000, 0.0003065500000000 ] - [ -0.0007404700000000, -0.0005550500000000, -0.0004649300000000 ] - [ 0.0016849800000000, 0.0133783000000000, 0.0025022700000000 ] - [ -0.0000207800000000, 0.0001287000000000, 0.0000794700000000 ] - [ -0.0002054900000000, 0.0006321900000000, 0.0000460400000000 ] - [ -0.0005394600000000, -0.0000989500000000, 0.0003175400000000 ] - [ -0.0003687900000000, -0.0002874300000000, 0.0010861700000000 ] - [ 0.0035947700000000, -0.0028671700000000, -0.0027892200000000 ] - [ 0.0012747700000000, 0.0005567000000000, -0.0021462700000000 ] - [ 0.0000207400000000, 0.0002020900000000, -0.0006073100000000 ] - [ -0.0005225000000000, 0.0005256500000000, 0.0002207600000000 ] - [ 0.0047156300000000, 0.0092492600000000, -0.0068171200000000 ] - [ 0.0003925900000000, -0.0013817600000000, -0.0011409000000000 ] - [ -0.0000580500000000, -0.0002754000000000, 0.0015826300000000 ] - [ -0.0001068700000000, 0.0005699300000000, 0.0009601400000000 ] - [ 0.0015830500000000, -0.0000158000000000, -0.0006658400000000 ] - [ 0.0039299500000000, 0.0038820200000000, -0.0002886500000000 ] - [ 0.0000964800000000, -0.0004500500000000, -0.0002853000000000 ] - [ 0.0001561000000000, 0.0000489600000000, -0.0004587500000000 ] - [ 0.0407661600000000, -0.0058565900000000, 0.0129547200000000 ] - [ 0.0002888100000000, -0.0001701400000000, 0.0008092900000000 ] - [ -0.0001136500000000, -0.0002428100000000, 0.0000935900000000 ] - [ 0.0001880800000000, -0.0000779200000000, 0.0003964600000000 ] - [ 0.0022175200000000, -0.0060659600000000, 0.0033570800000000 ] - [ 0.0005319400000000, 0.0017945100000000, 0.0006404800000000 ] - [ 0.0003817200000000, 0.0000118700000000, 0.0008840400000000 ] - [ 0.0002721300000000, 0.0002300200000000, 0.0000296800000000 ] - [ -0.0038459500000000, 0.0067049500000000, 0.0032809100000000 ] - [ -0.0017493500000000, -0.0020025100000000, 0.0021343100000000 ] - [ 0.0014952700000000, 0.0018814100000000, -0.0026952100000000 ] - [ 0.0000927300000000, -0.0006516200000000, -0.0001037700000000 ] - [ -0.0074196900000000, 0.0019162000000000, -0.0092750000000000 ] - [ -0.0005653600000000, -0.0000676000000000, 0.0002544800000000 ] - [ 0.0026651900000000, 0.0008193200000000, -0.0029009300000000 ] - [ 0.0009526100000000, -0.0009106400000000, -0.0012612300000000 ] - [ -0.0001251100000000, -0.0003261100000000, -0.0002670200000000 ] - [ -0.0012843800000000, 0.0000414400000000, -0.0010571200000000 ] - [ -0.0003450000000000, 0.0001468300000000, -0.0005570700000000 ] - [ 0.0000064200000000, -0.0000368400000000, -0.0010047000000000 ] - [ -0.0028900800000000, 0.0036953200000000, 0.0076973600000000 ] - [ -0.0005813900000000, -0.0003784100000000, 0.0013421800000000 ] - [ -0.0026465500000000, 0.0051222900000000, 0.0008278500000000 ] - [ -0.0030625000000000, -0.0032981200000000, 0.0001498600000000 ] - [ -0.0003729500000000, 0.0002513500000000, -0.0002797200000000 ] - [ 0.0002497700000000, -0.0004169800000000, -0.0000220900000000 ] - [ -0.0022991200000000, 0.0002676400000000, 0.0017612900000000 ] - [ -0.0013949900000000, 0.0007183100000000, 0.0006066100000000 ] - [ 0.0046586700000000, -0.0020751200000000, 0.0074469800000000 ] - [ 0.0006922400000000, -0.0001929300000000, -0.0002207000000000 ] - [ 0.0010388600000000, 0.0003467000000000, 0.0001549600000000 ] - [ 0.0037261600000000, -0.0026199600000000, -0.0016934800000000 ] - [ 0.1516729000000000, 0.1110038700000000, 0.0270245500000000 ] - [ 0.0001306400000000, 0.0011496300000000, 0.0006558700000000 ] - [ 0.0248282400000000, 0.0005034400000000, 0.0062239200000000 ] - [ 0.0000896900000000, -0.0005957400000000, 0.0005603200000000 ] - [ -0.0004869100000000, 0.0005164100000000, -0.0000750500000000 ] - [ -0.0003712400000000, -0.0006709300000000, -0.0005044200000000 ] - [ 0.0006079500000000, -0.0033804800000000, 0.0002877800000000 ] - [ 0.0190953000000000, -0.0033193200000000, 0.0015872100000000 ] - [ 0.0004993900000000, 0.0004330700000000, -0.0006684000000000 ] - [ 0.0000964700000000, -0.0002002300000000, -0.0003517200000000 ]- atom: 25 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ 0.0010024900000000, 0.0002701600000000, 0.0006711600000000 ] - [ 0.0003449300000000, -0.0006997100000000, 0.0000534000000000 ] - [ 0.0004479300000000, -0.0010846900000000, 0.0009314100000000 ] - [ 0.0010222500000000, -0.0001863200000000, 0.0025492800000000 ] - [ 0.0000240300000000, 0.0008452200000000, 0.0003709000000000 ] - [ -0.0002109500000000, 0.0004383600000000, -0.0000113400000000 ] - [ -0.0099129200000000, -0.0012576300000000, 0.0077077400000000 ] - [ 0.0003054600000000, 0.0004168000000000, 0.0000262900000000 ] - [ -0.0053243700000000, 0.0023011000000000, -0.0019833100000000 ] - [ -0.0003195500000000, -0.0001848400000000, 0.0002158500000000 ] - [ 0.0003702400000000, 0.0006340500000000, -0.0006570500000000 ] - [ 0.0002627500000000, -0.0010221800000000, -0.0005579800000000 ] - [ -0.0008534400000000, 0.0006656500000000, 0.0000360700000000 ] - [ -0.0021642800000000, 0.0019901700000000, -0.0013234000000000 ] - [ 0.0016126600000000, 0.0010957300000000, 0.0001964000000000 ] - [ 0.0001528000000000, 0.0002046000000000, -0.0004488900000000 ] - [ -0.0014894400000000, -0.0001913800000000, 0.0006833200000000 ] - [ -0.0007037500000000, -0.0008026100000000, -0.0007206900000000 ] - [ 0.0013601600000000, -0.0018250100000000, -0.0056037500000000 ] - [ 0.0004897200000000, -0.0005617100000000, 0.0004969300000000 ] - [ -0.0011982200000000, -0.0005973600000000, -0.0009361100000000 ] - [ 0.0000319000000000, 0.0004816600000000, 0.0004941700000000 ] - [ 0.0003872900000000, -0.0008374000000000, -0.0012535200000000 ] - [ 0.0025931300000000, -0.0006242600000000, -0.0009834100000000 ] - [ 0.2496967400000000, 0.1204174800000000, 0.0484109200000000 ] - [ 0.0004130900000000, -0.0005920100000000, 0.0002267400000000 ] - [ 0.0002192500000000, -0.0004138100000000, -0.0001142500000000 ] - [ 0.0002028500000000, -0.0005806200000000, -0.0002234900000000 ] - [ 0.0013100200000000, 0.0014558000000000, 0.0005587800000000 ] - [ -0.0010748700000000, -0.0126380900000000, -0.0024423500000000 ] - [ -0.0005495700000000, 0.0007825600000000, -0.0001745600000000 ] - [ -0.0003469500000000, 0.0002554500000000, -0.0001347300000000 ] - [ 0.0001637800000000, -0.0004716700000000, 0.0010770100000000 ] - [ -0.0000227300000000, -0.0002727200000000, 0.0003143000000000 ] - [ -0.0032199800000000, 0.0023688500000000, 0.0014094300000000 ] - [ -0.0008858800000000, -0.0011437600000000, 0.0007576100000000 ] - [ 0.0003733500000000, 0.0003666200000000, -0.0007991500000000 ] - [ 0.0009235400000000, 0.0000170000000000, -0.0016410200000000 ] - [ -0.0051645900000000, -0.0086087500000000, 0.0082183700000000 ] - [ -0.0007908300000000, 0.0019589900000000, 0.0025595500000000 ] - [ -0.0002669400000000, 0.0008275200000000, -0.0001615600000000 ] - [ -0.0002287100000000, -0.0000373500000000, 0.0004720600000000 ] - [ -0.0012586700000000, 0.0005585500000000, -0.0007688100000000 ] - [ -0.0036534200000000, -0.0034385500000000, -0.0011668600000000 ] - [ 0.0002242300000000, -0.0001033000000000, -0.0011635600000000 ] - [ 0.0001791200000000, -0.0005740200000000, -0.0009917900000000 ] - [ -0.0404257100000000, 0.0052109200000000, -0.0112282400000000 ] - [ -0.0006219400000000, -0.0003791700000000, 0.0006285900000000 ] - [ -0.0003631000000000, -0.0002784100000000, 0.0001936100000000 ] - [ -0.0006656400000000, -0.0004574600000000, -0.0001139700000000 ] - [ -0.0017190300000000, 0.0056270500000000, -0.0037045200000000 ] - [ -0.0000496100000000, -0.0023553100000000, -0.0009510700000000 ] - [ 0.0000793400000000, 0.0005011400000000, -0.0011624100000000 ] - [ 0.0002049400000000, 0.0003001600000000, -0.0003269400000000 ] - [ 0.0032957200000000, -0.0062651900000000, -0.0030297800000000 ] - [ 0.0012689400000000, 0.0025436000000000, -0.0018261800000000 ] - [ -0.0024010300000000, -0.0016641600000000, 0.0036130900000000 ] - [ -0.0009760100000000, 0.0008809400000000, 0.0010196300000000 ] - [ 0.0065820600000000, -0.0021332500000000, 0.0101218200000000 ] - [ -0.0003109700000000, -0.0001504300000000, 0.0006503600000000 ] - [ -0.0018313700000000, -0.0010092800000000, 0.0020534200000000 ] - [ -0.0000847800000000, 0.0006572200000000, 0.0003648300000000 ] - [ 0.0010065500000000, 0.0005485400000000, -0.0006360300000000 ] - [ 0.0021958300000000, 0.0001980900000000, 0.0001898900000000 ] - [ -0.0002776000000000, 0.0001374000000000, 0.0001346300000000 ] - [ -0.0006314700000000, 0.0003246700000000, 0.0005839300000000 ] - [ 0.0030250000000000, -0.0038190900000000, -0.0074314700000000 ] - [ 0.0006770100000000, 0.0003125800000000, -0.0010372300000000 ] - [ 0.0020154700000000, -0.0054551700000000, -0.0012644700000000 ] - [ 0.0024273100000000, 0.0030711600000000, -0.0005940500000000 ] - [ 0.0009973400000000, -0.0005387800000000, 0.0007310700000000 ] - [ 0.0003777400000000, 0.0001398400000000, 0.0004593300000000 ] - [ 0.0022238100000000, -0.0002224400000000, -0.0021067400000000 ] - [ 0.0013085600000000, -0.0006391000000000, -0.0009350700000000 ] - [ -0.0047321000000000, 0.0021166300000000, -0.0070395800000000 ] - [ -0.0006184100000000, 0.0002755700000000, 0.0005371700000000 ] - [ -0.0011365900000000, -0.0004231000000000, -0.0004634300000000 ] - [ -0.0038517600000000, 0.0025604000000000, 0.0013799500000000 ] - [ -0.1456480600000000, -0.1044082200000000, -0.0251208700000000 ] - [ 0.0004964200000000, -0.0008728300000000, -0.0002343700000000 ] - [ -0.0267805000000000, -0.0007966900000000, -0.0066892300000000 ] - [ 0.0001584800000000, 0.0005163400000000, -0.0004977400000000 ] - [ 0.0002319100000000, -0.0006085500000000, 0.0000135100000000 ] - [ 0.0001211800000000, 0.0005841300000000, 0.0004455500000000 ] - [ -0.0008533000000000, 0.0035210400000000, -0.0003881600000000 ] - [ -0.0191156500000000, 0.0029043900000000, -0.0016940900000000 ] - [ -0.0002284500000000, -0.0003512800000000, 0.0007522700000000 ] - [ 0.0001558300000000, 0.0002935500000000, 0.0004268800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005749800000000, -0.0018001300000000, -0.0020474800000000 ] - [ 0.0003511100000000, 0.0002976600000000, 0.0006117500000000 ] - [ -0.0005345900000000, 0.0007857900000000, -0.0011562500000000 ] - [ -0.0003558700000000, -0.0005225800000000, 0.0049166100000000 ] - [ -0.0005330600000000, 0.0006083600000000, 0.0013411500000000 ] - [ 0.0002765800000000, 0.0012810000000000, -0.0008286100000000 ] - [ 0.0018167500000000, -0.0021637300000000, -0.0012886000000000 ] - [ -0.0002779200000000, 0.0018672100000000, -0.0002507400000000 ] - [ 0.0015271300000000, -0.0047895100000000, 0.0005997500000000 ] - [ -0.0004217600000000, 0.0022039100000000, 0.0002495800000000 ] - [ -0.0000125000000000, 0.0003733900000000, -0.0005794800000000 ] - [ 0.0002957800000000, -0.0000607100000000, 0.0008039500000000 ] - [ 0.0009797200000000, 0.0021275900000000, 0.0007580000000000 ] - [ -0.0016626300000000, -0.0006902200000000, -0.0020394900000000 ] - [ -0.0005715100000000, -0.0035447400000000, 0.0022252900000000 ] - [ 0.0003905100000000, 0.0026560100000000, -0.0003683700000000 ] - [ 0.0005231900000000, 0.0001245900000000, -0.0029108300000000 ] - [ -0.0005868900000000, 0.0004077200000000, 0.0002600000000000 ] - [ 0.0010424400000000, -0.0033948900000000, 0.0021189800000000 ] - [ -0.0000879800000000, 0.0014983600000000, 0.0005745500000000 ] - [ 0.0008945100000000, -0.0017259900000000, 0.0013657800000000 ] - [ 0.0003588900000000, 0.0018136600000000, 0.0000351300000000 ] - [ -0.0015715200000000, 0.0041745600000000, 0.0009855400000000 ] - [ 0.0008633500000000, 0.0037315200000000, -0.0088863900000000 ] - [ -0.1268792300000000, -0.1777395600000000, -0.0282233700000000 ] - [ -0.0001450400000000, 0.0027373200000000, 0.0000319700000000 ] - [ 0.0001425700000000, -0.0003574400000000, 0.0001446100000000 ] - [ 0.0003209500000000, -0.0003509900000000, -0.0000622600000000 ] - [ -0.0007323700000000, 0.0026491600000000, -0.0004553900000000 ] - [ 0.0131983100000000, 0.0134838900000000, 0.0050650300000000 ] - [ 0.0000457800000000, -0.0006317000000000, -0.0000902500000000 ] - [ -0.0004643700000000, 0.0013336600000000, -0.0000194300000000 ] - [ 0.0000939100000000, -0.0017424400000000, -0.0001670500000000 ] - [ -0.0003825600000000, 0.0007309700000000, 0.0011942800000000 ] - [ -0.0010351200000000, -0.0004091900000000, -0.0001537900000000 ] - [ 0.0010936100000000, 0.0017820900000000, -0.0016665200000000 ] - [ 0.0001782300000000, 0.0011524000000000, -0.0009371700000000 ] - [ 0.0002252800000000, -0.0006828600000000, 0.0001828700000000 ] - [ 0.0103929700000000, 0.0066942300000000, -0.0088081400000000 ] - [ -0.0007237200000000, 0.0050682000000000, 0.0036068500000000 ] - [ -0.0003373400000000, -0.0009103000000000, 0.0007590600000000 ] - [ 0.0000393200000000, 0.0012567900000000, 0.0009234000000000 ] - [ 0.0006910800000000, 0.0024824800000000, -0.0012756400000000 ] - [ -0.0003938700000000, -0.0019477000000000, 0.0007280000000000 ] - [ 0.0003759900000000, -0.0000999000000000, 0.0003775400000000 ] - [ -0.0002894700000000, 0.0004798500000000, -0.0020264500000000 ] - [ 0.0007520800000000, -0.0095085100000000, 0.0007980300000000 ] - [ -0.0002663500000000, 0.0024376800000000, 0.0005587700000000 ] - [ -0.0001010200000000, 0.0009174300000000, -0.0000234400000000 ] - [ -0.0003142000000000, -0.0012591100000000, 0.0003371800000000 ] - [ -0.0029819200000000, -0.0004629200000000, -0.0028394000000000 ] - [ 0.0005269200000000, 0.0032025600000000, 0.0011563300000000 ] - [ -0.0000257800000000, -0.0014338800000000, -0.0005047400000000 ] - [ 0.0003713600000000, 0.0016053400000000, 0.0001321600000000 ] - [ 0.0057713300000000, 0.0173688300000000, 0.0112055100000000 ] - [ 0.0012048900000000, 0.0054570700000000, -0.0023157100000000 ] - [ 0.0002209100000000, 0.0026465500000000, 0.0032314100000000 ] - [ -0.0003424500000000, -0.0018686300000000, -0.0006261600000000 ] - [ -0.0008306400000000, 0.0035798000000000, 0.0001234600000000 ] - [ -0.0003490400000000, -0.0030598100000000, 0.0003003600000000 ] - [ 0.0041952700000000, -0.0011734800000000, -0.0087980200000000 ] - [ -0.0002201100000000, -0.0033003200000000, 0.0021509800000000 ] - [ -0.0000045900000000, -0.0027685000000000, 0.0005378700000000 ] - [ 0.0021067900000000, 0.0023145600000000, -0.0023730800000000 ] - [ -0.0007251200000000, -0.0011615300000000, -0.0007173600000000 ] - [ 0.0004253200000000, 0.0009825900000000, 0.0003431700000000 ] - [ -0.0025209400000000, 0.0059573700000000, 0.0088065700000000 ] - [ 0.0008305800000000, -0.0023956100000000, -0.0021850200000000 ] - [ 0.0005864900000000, -0.0032133400000000, 0.0004953400000000 ] - [ -0.0040041900000000, -0.0036410200000000, -0.0012231800000000 ] - [ 0.0001635200000000, 0.0022577600000000, 0.0002135500000000 ] - [ 0.0003352800000000, -0.0020810100000000, 0.0000563400000000 ] - [ -0.0004230600000000, 0.0003442800000000, -0.0025146900000000 ] - [ -0.0001390900000000, -0.0017679900000000, 0.0016090000000000 ] - [ -0.0016173200000000, 0.0084323500000000, 0.0047515700000000 ] - [ 0.0007355100000000, -0.0032956100000000, -0.0007150900000000 ] - [ 0.0008439300000000, -0.0019602800000000, 0.0006807300000000 ] - [ -0.0020702700000000, 0.0015229000000000, -0.0036561800000000 ] - [ 0.1073552000000000, 0.1155283300000000, 0.0222406800000000 ] - [ 0.0003149500000000, -0.0062848300000000, 0.0003489600000000 ] - [ 0.0042050800000000, 0.0129628200000000, 0.0008337100000000 ] - [ 0.0002547300000000, -0.0045813600000000, 0.0003381600000000 ] - [ -0.0002036900000000, -0.0000328600000000, 0.0000910800000000 ] - [ -0.0003495000000000, -0.0003348500000000, 0.0000404300000000 ] - [ -0.0003807100000000, -0.0097664100000000, 0.0018663000000000 ] - [ -0.0109243400000000, 0.0172634300000000, -0.0001446100000000 ] - [ -0.0000924000000000, 0.0021823600000000, -0.0002771700000000 ] - [ 0.0001429600000000, -0.0018499400000000, 0.0000482500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007459100000000, 0.0007141600000000, 0.0018052600000000 ] - [ -0.0001766600000000, -0.0013743600000000, -0.0008598600000000 ] - [ 0.0003615300000000, -0.0018647100000000, 0.0013927600000000 ] - [ 0.0001715800000000, -0.0005433500000000, -0.0047086800000000 ] - [ 0.0003526600000000, 0.0004592500000000, -0.0010975800000000 ] - [ -0.0004520300000000, -0.0001986400000000, 0.0010737600000000 ] - [ -0.0016024800000000, 0.0032634000000000, 0.0009956900000000 ] - [ 0.0004559700000000, -0.0007911600000000, 0.0000123500000000 ] - [ -0.0014371600000000, 0.0042883900000000, -0.0004952800000000 ] - [ 0.0005008100000000, -0.0026905800000000, -0.0001635600000000 ] - [ -0.0000658500000000, -0.0008656000000000, 0.0004902100000000 ] - [ -0.0003744800000000, -0.0004129200000000, -0.0008959500000000 ] - [ -0.0010449500000000, -0.0016559100000000, -0.0008420500000000 ] - [ 0.0016068000000000, 0.0012023500000000, 0.0019719400000000 ] - [ 0.0006392200000000, 0.0040009900000000, -0.0021581600000000 ] - [ -0.0003123400000000, -0.0021729800000000, 0.0004662800000000 ] - [ -0.0010388400000000, -0.0007307500000000, 0.0018136500000000 ] - [ 0.0000684200000000, -0.0010063000000000, -0.0013484300000000 ] - [ -0.0005188600000000, 0.0028146700000000, -0.0009844100000000 ] - [ 0.0006090400000000, -0.0021024000000000, 0.0005079800000000 ] - [ -0.0003652100000000, 0.0023108300000000, -0.0002873600000000 ] - [ 0.0001645200000000, -0.0012064700000000, 0.0010526700000000 ] - [ 0.0010445500000000, -0.0035611600000000, -0.0020630700000000 ] - [ -0.0013962500000000, -0.0031210200000000, 0.0078757700000000 ] - [ 0.1201992800000000, 0.1755237700000000, 0.0270129000000000 ] - [ -0.0004208800000000, -0.0036384300000000, -0.0001236500000000 ] - [ 0.0004178400000000, -0.0005434800000000, -0.0000567200000000 ] - [ 0.0002352600000000, -0.0005375400000000, 0.0001511300000000 ] - [ 0.0012791600000000, -0.0017610000000000, 0.0005393400000000 ] - [ -0.0128163000000000, -0.0127940600000000, -0.0050547200000000 ] - [ -0.0006009600000000, 0.0015201600000000, 0.0000014400000000 ] - [ -0.0000921100000000, -0.0004408300000000, -0.0000694800000000 ] - [ -0.0004922800000000, 0.0011872000000000, 0.0015656600000000 ] - [ -0.0000158900000000, -0.0013010700000000, 0.0002190400000000 ] - [ 0.0014245100000000, -0.0001714700000000, -0.0012582500000000 ] - [ -0.0007000900000000, -0.0023526000000000, 0.0002636500000000 ] - [ 0.0002179000000000, -0.0005907500000000, -0.0004739300000000 ] - [ 0.0001662500000000, 0.0012544300000000, -0.0015900600000000 ] - [ -0.0106484900000000, -0.0060399900000000, 0.0100878100000000 ] - [ 0.0003295200000000, -0.0045397200000000, -0.0022350300000000 ] - [ 0.0000055600000000, 0.0014395100000000, 0.0006766600000000 ] - [ -0.0003714000000000, -0.0007183000000000, 0.0005092300000000 ] - [ -0.0003558600000000, -0.0019499300000000, -0.0001589600000000 ] - [ 0.0007533100000000, 0.0025411500000000, -0.0021674300000000 ] - [ -0.0000479500000000, -0.0004469900000000, -0.0018064500000000 ] - [ 0.0006226800000000, -0.0010139200000000, 0.0005978400000000 ] - [ -0.0011483000000000, 0.0089485100000000, 0.0006008700000000 ] - [ -0.0000577100000000, -0.0029816600000000, 0.0008795900000000 ] - [ -0.0003752000000000, -0.0014390800000000, 0.0003113500000000 ] - [ -0.0001616300000000, 0.0007462700000000, -0.0000445300000000 ] - [ 0.0034444600000000, -0.0000855300000000, 0.0025293700000000 ] - [ -0.0000462800000000, -0.0037315800000000, -0.0014595500000000 ] - [ 0.0005071300000000, 0.0019612000000000, 0.0002080300000000 ] - [ 0.0001111300000000, -0.0010858300000000, -0.0004242400000000 ] - [ -0.0061483100000000, -0.0165540400000000, -0.0106915400000000 ] - [ -0.0017095700000000, -0.0049617800000000, 0.0026352200000000 ] - [ -0.0010977500000000, -0.0023964500000000, -0.0023423800000000 ] - [ -0.0005314800000000, 0.0020850200000000, 0.0015342800000000 ] - [ -0.0000580700000000, -0.0038268600000000, 0.0008261300000000 ] - [ -0.0005291800000000, 0.0028388000000000, 0.0005955500000000 ] - [ -0.0032944400000000, 0.0009733300000000, 0.0078569600000000 ] - [ 0.0011050700000000, 0.0030611500000000, -0.0030678600000000 ] - [ 0.0008771100000000, 0.0029961700000000, -0.0014354900000000 ] - [ -0.0012393300000000, -0.0021100700000000, 0.0014738600000000 ] - [ 0.0000962100000000, 0.0014496900000000, 0.0002858100000000 ] - [ -0.0010556400000000, -0.0007189800000000, -0.0007755100000000 ] - [ 0.0026041200000000, -0.0059892400000000, -0.0084745500000000 ] - [ -0.0007581600000000, 0.0023192400000000, 0.0025208900000000 ] - [ -0.0012004700000000, 0.0029522800000000, -0.0009155100000000 ] - [ 0.0033513200000000, 0.0033239300000000, 0.0007947900000000 ] - [ 0.0004593000000000, -0.0025360800000000, 0.0002171100000000 ] - [ 0.0002918700000000, 0.0018022900000000, 0.0003720900000000 ] - [ 0.0003348200000000, -0.0002494200000000, 0.0022005400000000 ] - [ 0.0000473600000000, 0.0018344800000000, -0.0019317400000000 ] - [ 0.0016960800000000, -0.0084154900000000, -0.0043331800000000 ] - [ -0.0006508700000000, 0.0033692400000000, 0.0010217400000000 ] - [ -0.0009232000000000, 0.0018930600000000, -0.0009881500000000 ] - [ 0.0020137400000000, -0.0016346400000000, 0.0033319400000000 ] - [ -0.1016670300000000, -0.1126341500000000, -0.0207937200000000 ] - [ 0.0003117100000000, 0.0065901000000000, 0.0000763600000000 ] - [ -0.0038464700000000, -0.0130331700000000, -0.0007656900000000 ] - [ -0.0000045700000000, 0.0044960000000000, -0.0002625600000000 ] - [ -0.0000472200000000, -0.0000462100000000, -0.0001624200000000 ] - [ 0.0000989200000000, 0.0002343800000000, -0.0001136500000000 ] - [ 0.0001239500000000, 0.0098306600000000, -0.0019247300000000 ] - [ 0.0116003600000000, -0.0185064400000000, 0.0000743400000000 ] - [ 0.0003465200000000, -0.0020866800000000, 0.0003531800000000 ] - [ 0.0001048000000000, 0.0019356600000000, 0.0000230400000000 ]- atom: 25 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ 0.0003231300000000, -0.0007647500000000, 0.0024029400000000 ] - [ 0.0001325500000000, -0.0003694200000000, 0.0001860100000000 ] - [ 0.0003468900000000, -0.0012994900000000, 0.0004014900000000 ] - [ -0.0007206400000000, 0.0019892100000000, 0.0029307300000000 ] - [ -0.0007963200000000, 0.0014224400000000, 0.0005748200000000 ] - [ -0.0009057900000000, -0.0002216000000000, 0.0003502400000000 ] - [ -0.0105215000000000, -0.0015893200000000, 0.0052591000000000 ] - [ 0.0000427800000000, 0.0006836500000000, -0.0003284200000000 ] - [ -0.0031602200000000, 0.0011402100000000, -0.0000281700000000 ] - [ -0.0000849100000000, -0.0002629900000000, 0.0000684900000000 ] - [ 0.0001758700000000, -0.0005399600000000, 0.0003318800000000 ] - [ 0.0004342700000000, 0.0005526100000000, 0.0004537800000000 ] - [ -0.0001086500000000, 0.0010237600000000, -0.0002644200000000 ] - [ -0.0012166300000000, -0.0004015100000000, -0.0012228900000000 ] - [ 0.0007687400000000, 0.0022207100000000, 0.0053241100000000 ] - [ 0.0001429600000000, 0.0003121900000000, -0.0001496700000000 ] - [ -0.0011933900000000, -0.0012250800000000, 0.0012498800000000 ] - [ -0.0007517300000000, 0.0000736300000000, -0.0002207500000000 ] - [ 0.0035088600000000, 0.0008646100000000, 0.0038012300000000 ] - [ 0.0003679200000000, -0.0004579100000000, 0.0005803500000000 ] - [ -0.0002486900000000, 0.0005968100000000, 0.0003405500000000 ] - [ 0.0000989500000000, 0.0001536000000000, 0.0004532100000000 ] - [ -0.0003597300000000, 0.0011712700000000, -0.0006339700000000 ] - [ 0.0013071900000000, -0.0086305400000000, 0.0035522200000000 ] - [ 0.0734122100000000, 0.0325055300000000, -0.0128468100000000 ] - [ -0.0001908000000000, -0.0004386100000000, -0.0001438100000000 ] - [ 0.0004702800000000, -0.0003218700000000, 0.0005255200000000 ] - [ 0.0003940400000000, -0.0006075100000000, 0.0004823400000000 ] - [ 0.0002960000000000, 0.0004656300000000, -0.0005353600000000 ] - [ 0.0018510000000000, -0.0010723100000000, -0.0025716700000000 ] - [ -0.0002863900000000, 0.0006392800000000, 0.0009262700000000 ] - [ -0.0002355100000000, 0.0003437600000000, 0.0001976500000000 ] - [ -0.0007813300000000, -0.0008404500000000, 0.0034347500000000 ] - [ -0.0002933600000000, -0.0001213700000000, 0.0010809300000000 ] - [ -0.0014298100000000, 0.0011270900000000, -0.0020078800000000 ] - [ 0.0002593700000000, -0.0003343300000000, -0.0012170500000000 ] - [ 0.0001640100000000, 0.0003304300000000, -0.0000548700000000 ] - [ 0.0000591000000000, 0.0003257500000000, 0.0011537800000000 ] - [ -0.0073231400000000, -0.0095344100000000, 0.0030731500000000 ] - [ -0.0002826900000000, 0.0008413700000000, 0.0007517900000000 ] - [ 0.0001317800000000, 0.0003051700000000, 0.0024241400000000 ] - [ -0.0000945200000000, 0.0003105900000000, 0.0010412000000000 ] - [ -0.0006473500000000, -0.0004191100000000, -0.0012445200000000 ] - [ -0.0011860600000000, -0.0004351900000000, -0.0013304900000000 ] - [ 0.0006313900000000, 0.0007105500000000, 0.0001518900000000 ] - [ 0.0006139900000000, -0.0009908700000000, 0.0007362800000000 ] - [ -0.0079963100000000, 0.0014132700000000, -0.0098216600000000 ] - [ -0.0003335600000000, -0.0001423200000000, 0.0003781500000000 ] - [ -0.0004316700000000, -0.0005405400000000, 0.0006731000000000 ] - [ -0.0005406800000000, -0.0001562700000000, 0.0016925800000000 ] - [ 0.0019448400000000, -0.0006051800000000, -0.0014788600000000 ] - [ 0.0002312700000000, -0.0005881600000000, -0.0004911500000000 ] - [ 0.0001941900000000, -0.0000730000000000, 0.0007631700000000 ] - [ 0.0002694700000000, 0.0003885700000000, 0.0000243400000000 ] - [ 0.0047230800000000, 0.0061795100000000, -0.0020625100000000 ] - [ 0.0012521200000000, 0.0014314600000000, -0.0022479700000000 ] - [ -0.0024027300000000, 0.0018571100000000, -0.0019290600000000 ] - [ -0.0005994300000000, -0.0002378000000000, 0.0004331500000000 ] - [ 0.0036280200000000, -0.0003198200000000, 0.0033606300000000 ] - [ -0.0003955300000000, -0.0004750000000000, 0.0006654300000000 ] - [ 0.0006797100000000, -0.0041744400000000, -0.0017266400000000 ] - [ 0.0003774700000000, 0.0036466400000000, -0.0002540000000000 ] - [ 0.0007247400000000, 0.0012958400000000, -0.0008220400000000 ] - [ 0.0025620000000000, -0.0011726600000000, -0.0011260800000000 ] - [ -0.0007098300000000, -0.0003728200000000, -0.0009499700000000 ] - [ -0.0008141800000000, 0.0002893700000000, -0.0023207200000000 ] - [ 0.0032428100000000, -0.0005361500000000, -0.0073689500000000 ] - [ 0.0001948600000000, -0.0004339000000000, -0.0000942000000000 ] - [ 0.0005886800000000, -0.0005091200000000, 0.0024620500000000 ] - [ 0.0000340200000000, 0.0000475800000000, 0.0001373600000000 ] - [ 0.0006937400000000, -0.0005408000000000, -0.0029511800000000 ] - [ 0.0003338900000000, -0.0000595200000000, -0.0003344500000000 ] - [ 0.0007561000000000, -0.0010076000000000, 0.0000090600000000 ] - [ 0.0005611700000000, 0.0008165100000000, 0.0004100300000000 ] - [ 0.0028783000000000, 0.0052279200000000, -0.0146344900000000 ] - [ 0.0002069200000000, -0.0003453100000000, 0.0000402700000000 ] - [ -0.0004680100000000, 0.0004661000000000, -0.0008223400000000 ] - [ -0.0014052300000000, -0.0022365100000000, -0.0037034200000000 ] - [ -0.0453790700000000, -0.0296296200000000, 0.0110774800000000 ] - [ 0.0004581200000000, -0.0004924100000000, 0.0005042600000000 ] - [ -0.0072699800000000, -0.0003241000000000, 0.0067996400000000 ] - [ 0.0002320000000000, 0.0001764400000000, 0.0005148700000000 ] - [ 0.0002758300000000, -0.0004643600000000, -0.0020657600000000 ] - [ 0.0000029400000000, 0.0004086100000000, -0.0014731100000000 ] - [ -0.0009962400000000, 0.0010554900000000, 0.0031488400000000 ] - [ -0.0092393100000000, 0.0014198800000000, 0.0098090400000000 ] - [ -0.0012066900000000, -0.0001970700000000, -0.0031525500000000 ] - [ 0.0000281300000000, 0.0002829300000000, -0.0005123500000000 ]- atom: 25 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ -0.0001433000000000, -0.0003054200000000, -0.0026502600000000 ] - [ 0.0000540000000000, -0.0007066100000000, -0.0004202300000000 ] - [ -0.0005212200000000, 0.0002241400000000, -0.0001551400000000 ] - [ 0.0005522300000000, -0.0030987400000000, -0.0027056000000000 ] - [ 0.0006128100000000, -0.0003393900000000, -0.0003393800000000 ] - [ 0.0007264000000000, 0.0012943400000000, -0.0001080100000000 ] - [ 0.0105162900000000, 0.0026273100000000, -0.0054267800000000 ] - [ 0.0001493500000000, 0.0003885100000000, 0.0000930000000000 ] - [ 0.0032538400000000, -0.0016155900000000, 0.0001114000000000 ] - [ 0.0001527900000000, -0.0002035300000000, 0.0000196100000000 ] - [ -0.0002514500000000, 0.0000608900000000, -0.0004174000000000 ] - [ -0.0005143200000000, -0.0010417700000000, -0.0005413100000000 ] - [ 0.0000310600000000, -0.0005478600000000, 0.0001735800000000 ] - [ 0.0011300900000000, 0.0008836100000000, 0.0011200500000000 ] - [ -0.0006798300000000, -0.0017037700000000, -0.0051674600000000 ] - [ -0.0000786500000000, 0.0001437500000000, 0.0002307600000000 ] - [ 0.0006722200000000, 0.0006184000000000, -0.0023299300000000 ] - [ 0.0002264900000000, -0.0006936700000000, -0.0008558400000000 ] - [ -0.0030180900000000, -0.0014751000000000, -0.0027172800000000 ] - [ 0.0001516700000000, -0.0001466800000000, 0.0005073800000000 ] - [ 0.0007658200000000, 0.0000198900000000, 0.0007331600000000 ] - [ 0.0004201500000000, 0.0004479000000000, 0.0006304200000000 ] - [ -0.0001655100000000, -0.0005619900000000, -0.0004500000000000 ] - [ -0.0018044300000000, 0.0091366200000000, -0.0045942500000000 ] - [ -0.0732675900000000, -0.0330637900000000, 0.0122622200000000 ] - [ -0.0003617300000000, -0.0004541100000000, 0.0000589000000000 ] - [ 0.0000761100000000, -0.0005600000000000, -0.0004422300000000 ] - [ 0.0001588100000000, -0.0002879300000000, -0.0003951500000000 ] - [ 0.0002577100000000, 0.0004218700000000, 0.0006241100000000 ] - [ -0.0012577000000000, 0.0020153000000000, 0.0026660200000000 ] - [ -0.0002642200000000, 0.0002549100000000, -0.0010099000000000 ] - [ -0.0003189400000000, 0.0005479500000000, -0.0002818500000000 ] - [ 0.0003851600000000, 0.0002765300000000, -0.0020176400000000 ] - [ -0.0000941400000000, -0.0004287900000000, 0.0003100700000000 ] - [ 0.0018195100000000, -0.0016810700000000, 0.0005963300000000 ] - [ 0.0001388800000000, -0.0002285300000000, -0.0001955200000000 ] - [ 0.0002332300000000, 0.0002226800000000, -0.0013600400000000 ] - [ 0.0003357700000000, 0.0002316900000000, -0.0025629900000000 ] - [ 0.0069851200000000, 0.0102160400000000, -0.0016566400000000 ] - [ -0.0001112200000000, -0.0002722800000000, 0.0006596200000000 ] - [ -0.0004665800000000, 0.0002335500000000, -0.0009817900000000 ] - [ -0.0002413800000000, 0.0002234000000000, 0.0003945900000000 ] - [ 0.0009870100000000, 0.0009522500000000, -0.0001883800000000 ] - [ 0.0015222600000000, 0.0009775000000000, -0.0000921600000000 ] - [ -0.0002885600000000, -0.0012321500000000, -0.0015873900000000 ] - [ -0.0002766200000000, 0.0004514400000000, -0.0021647400000000 ] - [ 0.0076013100000000, -0.0019528000000000, 0.0112854700000000 ] - [ -0.0000036500000000, -0.0003933000000000, 0.0010549000000000 ] - [ -0.0000483800000000, 0.0000217500000000, -0.0003771900000000 ] - [ 0.0000598100000000, -0.0003665300000000, -0.0013947000000000 ] - [ -0.0014617900000000, 0.0000790300000000, 0.0012006200000000 ] - [ 0.0002504600000000, 0.0000665600000000, 0.0001970100000000 ] - [ 0.0002841900000000, 0.0005889300000000, -0.0010581700000000 ] - [ 0.0002064400000000, 0.0001256000000000, -0.0003164600000000 ] - [ -0.0051933000000000, -0.0056970500000000, 0.0023119900000000 ] - [ -0.0017317700000000, -0.0009273000000000, 0.0025367900000000 ] - [ 0.0015428000000000, -0.0016389700000000, 0.0028292000000000 ] - [ -0.0002772200000000, 0.0004628200000000, 0.0004675400000000 ] - [ -0.0044725600000000, 0.0000849600000000, -0.0024057100000000 ] - [ -0.0004823700000000, 0.0002536400000000, 0.0002433600000000 ] - [ 0.0001735700000000, 0.0039212600000000, 0.0008628400000000 ] - [ 0.0005028200000000, -0.0038520700000000, -0.0006488000000000 ] - [ 0.0001515600000000, -0.0010772100000000, -0.0000850700000000 ] - [ -0.0016988600000000, 0.0014071000000000, 0.0002168400000000 ] - [ 0.0000718400000000, 0.0006472400000000, 0.0005181400000000 ] - [ 0.0001729800000000, -0.0000106600000000, 0.0018843800000000 ] - [ -0.0031817300000000, 0.0004328500000000, 0.0076914300000000 ] - [ -0.0001063700000000, 0.0003632000000000, 0.0003946800000000 ] - [ -0.0012314400000000, 0.0002453800000000, -0.0028918100000000 ] - [ -0.0006798700000000, -0.0003305400000000, -0.0005716300000000 ] - [ -0.0000666200000000, 0.0002651800000000, 0.0033712100000000 ] - [ 0.0002982100000000, -0.0002159400000000, 0.0007650000000000 ] - [ -0.0008263900000000, 0.0010737600000000, -0.0003124500000000 ] - [ -0.0006449700000000, -0.0007430900000000, -0.0007157300000000 ] - [ -0.0027578500000000, -0.0050810500000000, 0.0148194500000000 ] - [ -0.0001202100000000, 0.0004239800000000, 0.0002785600000000 ] - [ 0.0003798400000000, -0.0005436100000000, 0.0005095800000000 ] - [ 0.0013477400000000, 0.0021648500000000, 0.0033860600000000 ] - [ 0.0453975600000000, 0.0296088000000000, -0.0102184400000000 ] - [ 0.0001683400000000, 0.0007653800000000, -0.0000667000000000 ] - [ 0.0075476700000000, 0.0002246400000000, -0.0068086900000000 ] - [ 0.0000186500000000, -0.0002654800000000, -0.0004462100000000 ] - [ -0.0005250500000000, 0.0003645100000000, 0.0019936700000000 ] - [ -0.0002516500000000, -0.0004925800000000, 0.0013992700000000 ] - [ 0.0007532400000000, -0.0009509900000000, -0.0032373500000000 ] - [ 0.0089753900000000, -0.0013684800000000, -0.0098438500000000 ] - [ 0.0014450700000000, 0.0002828400000000, 0.0032213200000000 ] - [ 0.0002232800000000, -0.0001883700000000, 0.0005837100000000 ]- atom: 33 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.0012354100000000, -0.0004884200000000, -0.0003920900000000 ] - [ 0.0003288100000000, -0.0004404100000000, -0.0001547100000000 ] - [ 0.0000940700000000, -0.0005956300000000, -0.0000727600000000 ] - [ 0.0006221800000000, -0.0005476000000000, 0.0000121500000000 ] - [ -0.0013522000000000, 0.0010287400000000, 0.0005995400000000 ] - [ -0.0019454900000000, 0.0017869100000000, 0.0019499000000000 ] - [ -0.0024020300000000, -0.0008940200000000, 0.0066079300000000 ] - [ -0.0000002600000000, 0.0005502600000000, -0.0000905400000000 ] - [ 0.0004646600000000, -0.0009482900000000, -0.0011590800000000 ] - [ 0.0000693700000000, -0.0000816700000000, -0.0002149800000000 ] - [ 0.0000581900000000, 0.0001604000000000, 0.0000775300000000 ] - [ -0.0009137700000000, -0.0006492300000000, 0.0001628300000000 ] - [ 0.0000016500000000, 0.0002151800000000, -0.0000075200000000 ] - [ 0.0009249000000000, 0.0003191600000000, 0.0003812400000000 ] - [ 0.0022972600000000, 0.0142522000000000, -0.0065613200000000 ] - [ -0.0003624800000000, -0.0003198600000000, 0.0000919100000000 ] - [ -0.0002993700000000, -0.0012047400000000, -0.0013985000000000 ] - [ 0.0003642000000000, 0.0009426700000000, -0.0013048700000000 ] - [ -0.0004387300000000, -0.0003238400000000, 0.0008290400000000 ] - [ 0.0002533800000000, -0.0001997600000000, 0.0003665400000000 ] - [ 0.0011543400000000, 0.0000067300000000, 0.0010237500000000 ] - [ 0.0004796000000000, 0.0002859400000000, 0.0006764900000000 ] - [ -0.0003534900000000, 0.0005300000000000, -0.0004743600000000 ] - [ 0.0026306400000000, -0.0040725700000000, -0.0112663600000000 ] - [ -0.0006288700000000, -0.0001520000000000, -0.0008836900000000 ] - [ -0.0004401300000000, -0.0006211500000000, -0.0002445400000000 ] - [ 0.0013606000000000, -0.0013429300000000, 0.0006753200000000 ] - [ 0.0036858800000000, 0.0007674600000000, -0.0000044900000000 ] - [ 0.0000982800000000, 0.0004222400000000, -0.0000922600000000 ] - [ -0.0004425000000000, 0.0004790200000000, -0.0004878400000000 ] - [ 0.0046549100000000, -0.0100216800000000, -0.0055051100000000 ] - [ 0.0003155400000000, 0.0009768500000000, 0.0001692800000000 ] - [ -0.0605839300000000, 0.0093379000000000, 0.0837792200000000 ] - [ -0.0004009700000000, -0.0004193000000000, 0.0012660500000000 ] - [ 0.0001620500000000, -0.0004340500000000, -0.0007519500000000 ] - [ 0.0001617400000000, -0.0002644700000000, -0.0006877600000000 ] - [ 0.0002982000000000, 0.0003238600000000, -0.0005932900000000 ] - [ 0.0048459100000000, -0.0005019000000000, 0.0029617000000000 ] - [ 0.0002413600000000, 0.0001400400000000, -0.0002521400000000 ] - [ 0.0001209700000000, 0.0001418100000000, -0.0000638100000000 ] - [ -0.0027131500000000, 0.0031807700000000, 0.0048574700000000 ] - [ -0.0009796100000000, 0.0009931300000000, 0.0006236100000000 ] - [ 0.0001057600000000, 0.0001693500000000, -0.0010313100000000 ] - [ 0.0002651000000000, 0.0005268900000000, -0.0015872400000000 ] - [ 0.0008384500000000, 0.0008168900000000, 0.0003514900000000 ] - [ 0.0044550000000000, -0.0061390500000000, -0.0005234000000000 ] - [ 0.0006023900000000, -0.0001253000000000, 0.0005321000000000 ] - [ 0.0000135800000000, -0.0004062300000000, 0.0006662800000000 ] - [ -0.0002453300000000, -0.0004860600000000, 0.0000922300000000 ] - [ 0.0016925000000000, 0.0035746000000000, -0.0155563700000000 ] - [ 0.0000931600000000, -0.0003409500000000, -0.0001832900000000 ] - [ 0.0001000200000000, -0.0003526800000000, -0.0002930600000000 ] - [ 0.0051690100000000, 0.0004833900000000, -0.0002987000000000 ] - [ 0.0003775800000000, 0.0000364500000000, 0.0000430300000000 ] - [ 0.0006779600000000, 0.0013325300000000, -0.0018186200000000 ] - [ 0.0003740400000000, -0.0012275900000000, -0.0007820600000000 ] - [ -0.0011204600000000, 0.0000990200000000, -0.0004424500000000 ] - [ -0.0003407500000000, 0.0003210600000000, 0.0008141600000000 ] - [ -0.0046382800000000, 0.0003276600000000, -0.0018885700000000 ] - [ -0.0004749100000000, -0.0000864300000000, 0.0002385300000000 ] - [ 0.0014627800000000, -0.0051550800000000, -0.0001174800000000 ] - [ 0.0024317200000000, 0.0041810600000000, -0.0003291000000000 ] - [ 0.0003003000000000, 0.0004973600000000, -0.0001078000000000 ] - [ -0.0024816500000000, -0.0007539900000000, 0.0029998400000000 ] - [ -0.0013830900000000, 0.0001338800000000, -0.0006036100000000 ] - [ -0.0106723200000000, 0.0022504800000000, -0.0001098100000000 ] - [ -0.0010542300000000, 0.0007463200000000, 0.0023083500000000 ] - [ -0.0006129600000000, -0.0004731700000000, 0.0009827600000000 ] - [ -0.0000671800000000, -0.0000577300000000, 0.0000746400000000 ] - [ 0.0003612100000000, -0.0000824300000000, 0.0001875900000000 ] - [ 0.0266100500000000, -0.0198140400000000, -0.0287637300000000 ] - [ 0.0004005900000000, -0.0004927100000000, -0.0000730300000000 ] - [ 0.0002143600000000, 0.0005855700000000, -0.0003095400000000 ] - [ -0.0007315300000000, -0.0005939700000000, -0.0009821500000000 ] - [ 0.0256075500000000, 0.0095644500000000, -0.0249222800000000 ] - [ 0.0004132500000000, 0.0001117000000000, -0.0002692200000000 ] - [ -0.0000999900000000, -0.0000718800000000, -0.0000955100000000 ] - [ 0.0013055300000000, 0.0006822600000000, -0.0028845900000000 ] - [ -0.0007810700000000, 0.0000973400000000, 0.0018528200000000 ] - [ 0.0000355800000000, 0.0006770700000000, 0.0009364800000000 ] - [ 0.0010702400000000, -0.0001072600000000, -0.0001999800000000 ] - [ 0.0002831500000000, -0.0000219300000000, 0.0003401000000000 ] - [ 0.0027120200000000, 0.0023015400000000, -0.0007744100000000 ] - [ 0.0053137000000000, -0.0035939600000000, -0.0018030800000000 ] - [ -0.0002434400000000, -0.0002442300000000, 0.0004441300000000 ] - [ -0.0017424100000000, 0.0000197000000000, 0.0030502600000000 ] - [ -0.0083377100000000, -0.0019009900000000, -0.0028471300000000 ] - [ -0.0009263500000000, 0.0006733600000000, -0.0007648300000000 ]- atom: 33 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0010554600000000, -0.0005850700000000, 0.0001539300000000 ] - [ -0.0001431100000000, -0.0006362700000000, -0.0000799700000000 ] - [ -0.0002759500000000, -0.0004820000000000, 0.0003107200000000 ] - [ -0.0008002500000000, -0.0005294800000000, 0.0002344500000000 ] - [ 0.0011612800000000, 0.0000463500000000, -0.0003668900000000 ] - [ 0.0017748600000000, -0.0006947100000000, -0.0016952400000000 ] - [ 0.0026073400000000, 0.0019783100000000, -0.0068726100000000 ] - [ 0.0001766400000000, 0.0005252800000000, -0.0001520200000000 ] - [ -0.0003909800000000, 0.0004733000000000, 0.0012434000000000 ] - [ -0.0000027600000000, -0.0003856700000000, 0.0002999700000000 ] - [ -0.0001339700000000, -0.0006466600000000, -0.0001666100000000 ] - [ 0.0008377000000000, 0.0001713900000000, -0.0002490600000000 ] - [ -0.0000646600000000, 0.0002452100000000, -0.0000766100000000 ] - [ -0.0009987300000000, 0.0001617700000000, -0.0004796600000000 ] - [ -0.0022460800000000, -0.0136872900000000, 0.0065904500000000 ] - [ 0.0004378800000000, 0.0007984500000000, -0.0000070600000000 ] - [ -0.0002234100000000, 0.0005922300000000, 0.0003159200000000 ] - [ -0.0008888100000000, -0.0015569400000000, 0.0002216200000000 ] - [ 0.0009580600000000, -0.0002810600000000, 0.0002559200000000 ] - [ 0.0002716600000000, -0.0004145700000000, 0.0007161500000000 ] - [ -0.0006209600000000, 0.0006231300000000, 0.0000485600000000 ] - [ 0.0000406800000000, 0.0003157200000000, 0.0004065600000000 ] - [ -0.0001658400000000, 0.0000726600000000, -0.0006122800000000 ] - [ -0.0031386200000000, 0.0046411100000000, 0.0100896900000000 ] - [ 0.0000690500000000, -0.0007428700000000, 0.0007978300000000 ] - [ -0.0001051500000000, -0.0002634400000000, 0.0001578800000000 ] - [ -0.0007986400000000, 0.0004495300000000, -0.0005899700000000 ] - [ -0.0031373000000000, -0.0016856200000000, 0.0000981500000000 ] - [ 0.0004540400000000, 0.0004650100000000, 0.0001778300000000 ] - [ 0.0009926700000000, 0.0004120800000000, 0.0005738700000000 ] - [ -0.0052231500000000, 0.0110125500000000, 0.0054724200000000 ] - [ -0.0008710500000000, -0.0000723800000000, -0.0002543200000000 ] - [ 0.0600674900000000, -0.0098891600000000, -0.0822960300000000 ] - [ 0.0000056600000000, -0.0001473900000000, 0.0001365300000000 ] - [ 0.0002311200000000, -0.0001130400000000, -0.0006443600000000 ] - [ 0.0002357200000000, -0.0002941000000000, -0.0007251200000000 ] - [ 0.0000952800000000, 0.0002327500000000, -0.0008046000000000 ] - [ -0.0044104500000000, 0.0010478100000000, -0.0042920900000000 ] - [ -0.0006351700000000, 0.0004183200000000, 0.0016545100000000 ] - [ -0.0005132500000000, 0.0004025700000000, 0.0014649200000000 ] - [ 0.0023571100000000, -0.0026506000000000, -0.0034350200000000 ] - [ 0.0006465100000000, -0.0004589500000000, 0.0008125100000000 ] - [ 0.0002335300000000, 0.0003589200000000, -0.0004029400000000 ] - [ 0.0000741600000000, 0.0000053600000000, 0.0001552200000000 ] - [ -0.0005070900000000, -0.0013540600000000, -0.0017864500000000 ] - [ -0.0040929900000000, 0.0055311000000000, -0.0009179700000000 ] - [ -0.0009338300000000, -0.0004102200000000, 0.0008982200000000 ] - [ -0.0003563400000000, -0.0001219600000000, 0.0007659100000000 ] - [ -0.0002367400000000, -0.0000394800000000, 0.0002059300000000 ] - [ -0.0021330000000000, -0.0041177300000000, 0.0159492000000000 ] - [ 0.0003900900000000, -0.0001770500000000, -0.0001168000000000 ] - [ 0.0003800500000000, -0.0001640600000000, -0.0000008900000000 ] - [ -0.0046963100000000, 0.0000394100000000, -0.0000119200000000 ] - [ 0.0001058300000000, 0.0004831500000000, -0.0003428200000000 ] - [ -0.0011583900000000, -0.0008152500000000, 0.0021197400000000 ] - [ -0.0008559900000000, 0.0017401800000000, 0.0010751600000000 ] - [ 0.0002536000000000, 0.0001214100000000, 0.0013667800000000 ] - [ -0.0005365300000000, -0.0000951600000000, 0.0000862400000000 ] - [ 0.0037577900000000, -0.0005660100000000, 0.0028495300000000 ] - [ -0.0004033100000000, -0.0001343800000000, 0.0006653300000000 ] - [ -0.0005931200000000, 0.0049490000000000, -0.0007862600000000 ] - [ -0.0015462300000000, -0.0044022400000000, -0.0005624300000000 ] - [ 0.0005760400000000, -0.0002731000000000, -0.0007957700000000 ] - [ 0.0033434400000000, 0.0009704300000000, -0.0038850600000000 ] - [ 0.0007575100000000, 0.0001441800000000, 0.0001715900000000 ] - [ 0.0100105800000000, -0.0019183100000000, -0.0003378400000000 ] - [ 0.0011376600000000, -0.0008186400000000, -0.0019956200000000 ] - [ 0.0007002000000000, 0.0003987400000000, -0.0006704200000000 ] - [ -0.0005651700000000, -0.0002126200000000, -0.0005073600000000 ] - [ -0.0010007800000000, -0.0001896400000000, -0.0006249200000000 ] - [ -0.0255497900000000, 0.0195151600000000, 0.0292396900000000 ] - [ 0.0002317100000000, 0.0002202400000000, 0.0005033800000000 ] - [ -0.0003143700000000, -0.0005124600000000, 0.0000023200000000 ] - [ 0.0006341200000000, 0.0006701100000000, 0.0006703300000000 ] - [ -0.0258769300000000, -0.0095115900000000, 0.0250769600000000 ] - [ -0.0003216100000000, -0.0000368900000000, 0.0005814000000000 ] - [ 0.0000128900000000, 0.0000040700000000, -0.0002162600000000 ] - [ -0.0013736900000000, -0.0007521900000000, 0.0025446400000000 ] - [ 0.0014175300000000, 0.0001736100000000, -0.0014229200000000 ] - [ 0.0006022800000000, -0.0004004900000000, -0.0005017500000000 ] - [ -0.0008165600000000, 0.0000130200000000, 0.0002632900000000 ] - [ -0.0000334300000000, -0.0000661600000000, -0.0002689700000000 ] - [ -0.0029721800000000, -0.0023843500000000, 0.0006984800000000 ] - [ -0.0055671300000000, 0.0034877400000000, 0.0017335500000000 ] - [ -0.0000070700000000, 0.0003376400000000, -0.0005137500000000 ] - [ 0.0014954100000000, 0.0000671800000000, -0.0031235400000000 ] - [ 0.0085820000000000, 0.0019427400000000, 0.0029028700000000 ] - [ 0.0011751600000000, -0.0005676300000000, 0.0008326100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000258700000000, -0.0008143400000000, 0.0015455800000000 ] - [ 0.0001791100000000, 0.0000694200000000, -0.0007643700000000 ] - [ 0.0000408200000000, 0.0002864000000000, 0.0002533300000000 ] - [ 0.0000964800000000, -0.0015001200000000, -0.0001033400000000 ] - [ -0.0011045700000000, 0.0021120900000000, -0.0006087000000000 ] - [ 0.0024369900000000, 0.0072291800000000, 0.0067548000000000 ] - [ -0.0015139000000000, -0.0032693200000000, -0.0037625800000000 ] - [ 0.0001459600000000, 0.0016255100000000, 0.0001167000000000 ] - [ 0.0002938800000000, -0.0022828000000000, 0.0003108000000000 ] - [ -0.0001138900000000, 0.0010793400000000, -0.0002306100000000 ] - [ 0.0008017500000000, 0.0025257300000000, 0.0009185900000000 ] - [ -0.0012277800000000, -0.0011601900000000, -0.0017971700000000 ] - [ -0.0002739000000000, 0.0016935300000000, -0.0003127600000000 ] - [ 0.0002869600000000, -0.0015857600000000, 0.0007997100000000 ] - [ 0.0096597900000000, 0.0133743200000000, -0.0108112100000000 ] - [ 0.0000305000000000, 0.0026939400000000, 0.0005050300000000 ] - [ -0.0003573700000000, 0.0011851500000000, 0.0007627100000000 ] - [ 0.0008263900000000, -0.0004350700000000, -0.0029462400000000 ] - [ 0.0006165000000000, -0.0029288500000000, 0.0008599400000000 ] - [ 0.0000657600000000, 0.0013694800000000, 0.0003600000000000 ] - [ 0.0007351600000000, 0.0001491300000000, -0.0005692600000000 ] - [ 0.0009814600000000, 0.0017523000000000, 0.0011541500000000 ] - [ -0.0004237800000000, 0.0022629000000000, -0.0005840000000000 ] - [ -0.0054193700000000, -0.0020885800000000, 0.0088342000000000 ] - [ -0.0000885300000000, -0.0019084900000000, -0.0005679400000000 ] - [ -0.0002924600000000, 0.0005560000000000, 0.0001359100000000 ] - [ -0.0005667100000000, 0.0016101200000000, -0.0003449200000000 ] - [ 0.0028879000000000, -0.0005684000000000, -0.0001685200000000 ] - [ 0.0002115300000000, 0.0013309800000000, 0.0000702000000000 ] - [ 0.0005236600000000, -0.0005264600000000, 0.0002273500000000 ] - [ -0.0092844900000000, 0.0068589700000000, 0.0064680500000000 ] - [ 0.0013784700000000, 0.0052375200000000, 0.0001948500000000 ] - [ 0.0097993500000000, -0.1402773900000000, -0.0332934600000000 ] - [ -0.0003326500000000, 0.0018388800000000, 0.0007570800000000 ] - [ 0.0001819500000000, -0.0000960200000000, -0.0014060400000000 ] - [ 0.0003621300000000, -0.0000764700000000, 0.0008888400000000 ] - [ 0.0002431700000000, 0.0022256800000000, -0.0007481700000000 ] - [ -0.0005883200000000, -0.0028407400000000, -0.0014483900000000 ] - [ -0.0000634300000000, 0.0001227500000000, 0.0008614800000000 ] - [ -0.0000710400000000, 0.0006341200000000, 0.0003527500000000 ] - [ 0.0032702400000000, 0.0054277800000000, 0.0105170100000000 ] - [ -0.0016245600000000, 0.0032357300000000, -0.0000907500000000 ] - [ 0.0001843700000000, 0.0012327800000000, -0.0005789400000000 ] - [ -0.0000051800000000, -0.0007873300000000, -0.0009602100000000 ] - [ 0.0008335600000000, 0.0022446200000000, -0.0001682000000000 ] - [ -0.0066216500000000, 0.0051179200000000, 0.0004408600000000 ] - [ -0.0003269700000000, -0.0016157300000000, 0.0004357800000000 ] - [ -0.0001527600000000, 0.0008396900000000, 0.0009253300000000 ] - [ -0.0002494200000000, 0.0024106800000000, -0.0000237600000000 ] - [ 0.0032654500000000, -0.0053139200000000, -0.0081030900000000 ] - [ 0.0002063800000000, -0.0003301600000000, 0.0005357800000000 ] - [ 0.0001298400000000, 0.0002710900000000, -0.0004137900000000 ] - [ 0.0000417700000000, -0.0037743600000000, 0.0001298900000000 ] - [ 0.0004746400000000, 0.0027397300000000, -0.0002484700000000 ] - [ 0.0006851400000000, 0.0020566800000000, -0.0028435400000000 ] - [ -0.0006543400000000, 0.0008023300000000, 0.0011606500000000 ] - [ -0.0019895200000000, 0.0006353100000000, -0.0044649400000000 ] - [ -0.0002054100000000, -0.0011936300000000, 0.0019302600000000 ] - [ 0.0009772800000000, 0.0039106600000000, 0.0001142700000000 ] - [ -0.0006219800000000, -0.0026531800000000, 0.0001433900000000 ] - [ 0.0014190900000000, -0.0076340700000000, 0.0011252600000000 ] - [ 0.0027851900000000, -0.0029186400000000, -0.0040683700000000 ] - [ 0.0002969200000000, -0.0021512000000000, -0.0005462600000000 ] - [ 0.0002788600000000, 0.0024874100000000, 0.0006569000000000 ] - [ -0.0005983100000000, -0.0037729000000000, -0.0001922700000000 ] - [ 0.0030903200000000, 0.0062363200000000, 0.0003550700000000 ] - [ -0.0000632900000000, 0.0005868600000000, -0.0029614100000000 ] - [ -0.0003192500000000, -0.0016986600000000, 0.0015396600000000 ] - [ -0.0003548700000000, -0.0012822200000000, -0.0002356700000000 ] - [ -0.0000198700000000, 0.0007774600000000, -0.0005277600000000 ] - [ -0.0208869400000000, 0.0745269200000000, 0.0634813100000000 ] - [ 0.0010803700000000, -0.0050876300000000, 0.0005712700000000 ] - [ 0.0007298900000000, -0.0015547600000000, 0.0016033800000000 ] - [ -0.0042816500000000, -0.0002285900000000, -0.0039502700000000 ] - [ 0.0101282700000000, 0.0394738600000000, -0.0315392000000000 ] - [ 0.0000456800000000, -0.0031185300000000, -0.0002925000000000 ] - [ -0.0003492200000000, -0.0026863400000000, -0.0003466700000000 ] - [ 0.0001105500000000, 0.0032854100000000, 0.0014153500000000 ] - [ -0.0003298600000000, 0.0018146400000000, 0.0021471900000000 ] - [ 0.0002889600000000, -0.0014235300000000, -0.0003139200000000 ] - [ 0.0000388100000000, 0.0018501800000000, 0.0009368200000000 ] - [ 0.0002790100000000, -0.0018943000000000, -0.0001726500000000 ] - [ -0.0002697600000000, -0.0072677100000000, -0.0002631500000000 ] - [ -0.0019385300000000, 0.0008542100000000, 0.0014775100000000 ] - [ -0.0000626300000000, -0.0021102000000000, 0.0001852700000000 ] - [ 0.0001153100000000, 0.0021005400000000, -0.0017426200000000 ] - [ 0.0000541000000000, 0.0018838600000000, 0.0002898500000000 ] - [ 0.0000783500000000, -0.0037694500000000, 0.0002659500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002101000000000, -0.0002615000000000, -0.0017827100000000 ] - [ 0.0000003700000000, -0.0011457000000000, 0.0005253900000000 ] - [ -0.0002063800000000, -0.0013647900000000, 0.0000016600000000 ] - [ -0.0002637300000000, 0.0004255000000000, 0.0003584900000000 ] - [ 0.0009400800000000, -0.0010406900000000, 0.0008552000000000 ] - [ -0.0026225400000000, -0.0062320800000000, -0.0065906300000000 ] - [ 0.0017309900000000, 0.0043096700000000, 0.0036021400000000 ] - [ 0.0000304200000000, -0.0005524500000000, -0.0003651500000000 ] - [ -0.0002200500000000, 0.0018115000000000, -0.0002121300000000 ] - [ 0.0001864500000000, -0.0015556000000000, 0.0003230800000000 ] - [ -0.0008810300000000, -0.0030140200000000, -0.0010088800000000 ] - [ 0.0011577300000000, 0.0006800300000000, 0.0017181300000000 ] - [ 0.0001930800000000, -0.0012069600000000, 0.0002163300000000 ] - [ -0.0003666600000000, 0.0020932400000000, -0.0008936900000000 ] - [ -0.0094295000000000, -0.0128311000000000, 0.0107485500000000 ] - [ 0.0000434300000000, -0.0022180300000000, -0.0004202400000000 ] - [ -0.0001692700000000, -0.0017982300000000, -0.0018430700000000 ] - [ -0.0013613100000000, -0.0001625200000000, 0.0018935500000000 ] - [ -0.0001019600000000, 0.0023302700000000, 0.0002399600000000 ] - [ 0.0004517700000000, -0.0019698000000000, 0.0007344500000000 ] - [ -0.0002153300000000, 0.0004348100000000, 0.0016504900000000 ] - [ -0.0004657800000000, -0.0011536500000000, -0.0000693600000000 ] - [ -0.0000994800000000, -0.0016561400000000, -0.0005026200000000 ] - [ 0.0049123900000000, 0.0027447200000000, -0.0099149500000000 ] - [ -0.0004505000000000, 0.0010227900000000, 0.0004956100000000 ] - [ -0.0002803900000000, -0.0014707200000000, -0.0002233600000000 ] - [ 0.0011264800000000, -0.0025166800000000, 0.0004320800000000 ] - [ -0.0023577600000000, -0.0003258200000000, 0.0002509800000000 ] - [ 0.0003600200000000, -0.0004205200000000, 0.0000236800000000 ] - [ 0.0000090100000000, 0.0014081300000000, -0.0001350500000000 ] - [ 0.0085841700000000, -0.0058828700000000, -0.0064800700000000 ] - [ -0.0019589700000000, -0.0043769900000000, -0.0002903900000000 ] - [ -0.0094586700000000, 0.1399174100000000, 0.0319605600000000 ] - [ -0.0000551800000000, -0.0024072500000000, 0.0006366000000000 ] - [ 0.0002111400000000, -0.0004882200000000, 0.0000033100000000 ] - [ 0.0000376700000000, -0.0004679200000000, -0.0023206100000000 ] - [ 0.0001518400000000, -0.0016591600000000, -0.0006606000000000 ] - [ 0.0009679800000000, 0.0034242700000000, 0.0000212700000000 ] - [ -0.0003321400000000, 0.0004202100000000, 0.0005564400000000 ] - [ -0.0003178800000000, -0.0000600200000000, 0.0010496000000000 ] - [ -0.0035289500000000, -0.0047809800000000, -0.0089486100000000 ] - [ 0.0013145000000000, -0.0027180800000000, 0.0015314100000000 ] - [ 0.0001400200000000, -0.0006870100000000, -0.0008535400000000 ] - [ 0.0003534000000000, 0.0013184600000000, -0.0004637900000000 ] - [ -0.0005088700000000, -0.0027965500000000, -0.0012753900000000 ] - [ 0.0070386000000000, -0.0057286500000000, -0.0019068200000000 ] - [ -0.0000086100000000, 0.0010814800000000, 0.0010058800000000 ] - [ -0.0001697000000000, -0.0013938400000000, 0.0005127600000000 ] - [ -0.0002329000000000, -0.0029462400000000, 0.0003244700000000 ] - [ -0.0037679600000000, 0.0047876000000000, 0.0084370300000000 ] - [ 0.0002714700000000, -0.0002109700000000, -0.0008252100000000 ] - [ 0.0003450500000000, -0.0007816500000000, 0.0001359400000000 ] - [ 0.0004393900000000, 0.0043131200000000, -0.0004381900000000 ] - [ 0.0000039300000000, -0.0022138600000000, -0.0000526000000000 ] - [ -0.0011642300000000, -0.0015468600000000, 0.0031348200000000 ] - [ 0.0001661700000000, -0.0002415400000000, -0.0008513400000000 ] - [ 0.0011085300000000, -0.0004110900000000, 0.0053503300000000 ] - [ -0.0006758800000000, 0.0014177800000000, -0.0010406900000000 ] - [ -0.0019022400000000, -0.0041309900000000, 0.0007938500000000 ] - [ -0.0002533900000000, 0.0024325600000000, 0.0007674800000000 ] - [ -0.0005456200000000, 0.0074408500000000, -0.0020272000000000 ] - [ -0.0019130600000000, 0.0026530700000000, 0.0031925000000000 ] - [ 0.0005800200000000, 0.0023792400000000, -0.0003645300000000 ] - [ 0.0005929000000000, -0.0022761400000000, -0.0015567500000000 ] - [ -0.0000258400000000, 0.0040546800000000, -0.0002298900000000 ] - [ -0.0036932300000000, -0.0060184600000000, -0.0007674100000000 ] - [ 0.0001530100000000, -0.0006613500000000, 0.0032582400000000 ] - [ 0.0004097200000000, 0.0016302100000000, -0.0012433800000000 ] - [ -0.0002772700000000, 0.0010167300000000, -0.0002000600000000 ] - [ -0.0006208800000000, -0.0010658900000000, 0.0000865500000000 ] - [ 0.0206709100000000, -0.0739814500000000, -0.0604029300000000 ] - [ -0.0004573600000000, 0.0048403000000000, -0.0001405500000000 ] - [ -0.0008143600000000, 0.0016384600000000, -0.0019125200000000 ] - [ 0.0042135500000000, 0.0002798500000000, 0.0036485800000000 ] - [ -0.0099461800000000, -0.0398003200000000, 0.0314599300000000 ] - [ 0.0000378600000000, 0.0031973600000000, 0.0006106300000000 ] - [ 0.0002652600000000, 0.0026169200000000, 0.0000320000000000 ] - [ -0.0002076000000000, -0.0033748100000000, -0.0017234700000000 ] - [ 0.0009673200000000, -0.0015321600000000, -0.0017216300000000 ] - [ 0.0003506700000000, 0.0016871500000000, 0.0007314800000000 ] - [ 0.0002084700000000, -0.0019400200000000, -0.0009129400000000 ] - [ -0.0000267300000000, 0.0018086900000000, 0.0002383400000000 ] - [ 0.0000255100000000, 0.0071686600000000, 0.0001999600000000 ] - [ 0.0015518500000000, -0.0015842600000000, -0.0011758100000000 ] - [ -0.0001887500000000, 0.0022058300000000, -0.0002581700000000 ] - [ -0.0003489300000000, -0.0020155600000000, 0.0016421900000000 ] - [ 0.0002045000000000, -0.0017786800000000, -0.0001967700000000 ] - [ 0.0001752700000000, 0.0038653100000000, -0.0001882400000000 ]- atom: 33 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ -0.0000272400000000, -0.0000946500000000, 0.0009190800000000 ] - [ -0.0001908500000000, -0.0011020900000000, 0.0001326400000000 ] - [ 0.0000140400000000, -0.0003693000000000, 0.0010294600000000 ] - [ -0.0009654300000000, -0.0009222600000000, 0.0034142900000000 ] - [ 0.0014629300000000, -0.0011977800000000, -0.0015149000000000 ] - [ 0.0027397100000000, 0.0058618700000000, -0.0012277700000000 ] - [ 0.0105367100000000, -0.0036715800000000, 0.0143251800000000 ] - [ 0.0000074600000000, 0.0006751700000000, -0.0002579200000000 ] - [ -0.0004887700000000, 0.0022161000000000, 0.0041781600000000 ] - [ 0.0000696800000000, -0.0009073100000000, 0.0010317100000000 ] - [ 0.0007267100000000, 0.0019166700000000, 0.0009558900000000 ] - [ 0.0016307400000000, -0.0013799100000000, 0.0011029500000000 ] - [ 0.0001064300000000, -0.0005614800000000, -0.0001565900000000 ] - [ -0.0000938900000000, 0.0024511400000000, -0.0001121900000000 ] - [ -0.0085497800000000, -0.0219361700000000, 0.0037265100000000 ] - [ -0.0000335000000000, 0.0013404500000000, -0.0009072700000000 ] - [ -0.0004741900000000, 0.0011817000000000, 0.0010253400000000 ] - [ -0.0018230300000000, -0.0044351000000000, 0.0019573500000000 ] - [ 0.0009649000000000, -0.0000158900000000, 0.0037114700000000 ] - [ 0.0002007300000000, -0.0000949900000000, 0.0013307100000000 ] - [ 0.0003825800000000, -0.0013605900000000, -0.0014787900000000 ] - [ 0.0007429100000000, 0.0014628300000000, -0.0004435300000000 ] - [ -0.0001576400000000, -0.0003724800000000, -0.0009144300000000 ] - [ -0.0120732100000000, 0.0107459300000000, 0.0195371300000000 ] - [ -0.0004565800000000, -0.0013504200000000, 0.0028938400000000 ] - [ 0.0001374800000000, 0.0000635000000000, 0.0006128400000000 ] - [ -0.0015031600000000, 0.0008168900000000, -0.0014320100000000 ] - [ -0.0031637500000000, -0.0015003200000000, -0.0022136100000000 ] - [ 0.0004476100000000, 0.0002527000000000, 0.0008107800000000 ] - [ 0.0014280400000000, 0.0012090300000000, 0.0025698000000000 ] - [ -0.0092433800000000, 0.0137437800000000, 0.0013667100000000 ] - [ -0.0021945700000000, -0.0023805100000000, -0.0009512700000000 ] - [ 0.1013679500000000, -0.0372869100000000, -0.2999574100000000 ] - [ 0.0003986500000000, -0.0001669500000000, -0.0010686900000000 ] - [ 0.0002250900000000, -0.0016262100000000, 0.0007398500000000 ] - [ 0.0001678700000000, 0.0003426200000000, 0.0007072100000000 ] - [ 0.0002435700000000, 0.0002188800000000, -0.0013852400000000 ] - [ 0.0012454800000000, -0.0000116500000000, -0.0028524600000000 ] - [ -0.0012449800000000, 0.0002133500000000, 0.0038801600000000 ] - [ -0.0010226000000000, 0.0006507600000000, 0.0033926500000000 ] - [ 0.0051918900000000, 0.0086896400000000, 0.0043566800000000 ] - [ 0.0012253100000000, -0.0014381500000000, 0.0007423800000000 ] - [ 0.0004658400000000, 0.0000265100000000, 0.0005223100000000 ] - [ 0.0005124000000000, 0.0000114200000000, 0.0027985400000000 ] - [ -0.0008956400000000, -0.0021680400000000, -0.0036843100000000 ] - [ -0.0029998700000000, 0.0036091400000000, -0.0052531200000000 ] - [ 0.0004707800000000, -0.0013238400000000, 0.0025963700000000 ] - [ -0.0004653500000000, 0.0000679100000000, 0.0011047200000000 ] - [ -0.0002535400000000, 0.0000926000000000, 0.0003936200000000 ] - [ -0.0175960300000000, -0.0103612200000000, 0.0425023200000000 ] - [ -0.0000271300000000, -0.0003835300000000, 0.0021197000000000 ] - [ 0.0001568100000000, 0.0000736600000000, 0.0015309100000000 ] - [ -0.0018849500000000, 0.0005105200000000, -0.0039473300000000 ] - [ 0.0001586200000000, 0.0006099100000000, -0.0012171300000000 ] - [ -0.0015080400000000, -0.0022043700000000, 0.0034924900000000 ] - [ -0.0015835500000000, 0.0040624800000000, 0.0023139000000000 ] - [ -0.0020146300000000, -0.0010167700000000, -0.0051472800000000 ] - [ -0.0005623400000000, 0.0010869700000000, -0.0010721900000000 ] - [ -0.0065890600000000, 0.0001163400000000, 0.0036156700000000 ] - [ -0.0004336100000000, -0.0003240500000000, 0.0011783700000000 ] - [ -0.0010534500000000, 0.0097734100000000, -0.0004935500000000 ] - [ 0.0004771800000000, -0.0101482300000000, 0.0026746600000000 ] - [ 0.0006123700000000, -0.0003794800000000, -0.0016780500000000 ] - [ 0.0061301000000000, 0.0021812000000000, -0.0124427100000000 ] - [ 0.0011900500000000, 0.0002868000000000, 0.0013209800000000 ] - [ 0.0054782200000000, -0.0008936700000000, 0.0071383200000000 ] - [ 0.0016684400000000, -0.0022639700000000, -0.0044729600000000 ] - [ 0.0017624900000000, 0.0015099500000000, -0.0028759200000000 ] - [ -0.0002743700000000, 0.0004327600000000, -0.0027157200000000 ] - [ -0.0017318400000000, -0.0009324500000000, -0.0034333600000000 ] - [ -0.0380784000000000, 0.0645052000000000, 0.1105148800000000 ] - [ -0.0004354400000000, 0.0013106800000000, 0.0012058200000000 ] - [ -0.0005537100000000, 0.0022699700000000, 0.0002249100000000 ] - [ -0.0012669500000000, -0.0028822700000000, -0.0000770600000000 ] - [ -0.0321948300000000, -0.0311042900000000, 0.0994397500000000 ] - [ -0.0004798900000000, -0.0003633300000000, 0.0016883900000000 ] - [ -0.0008130600000000, -0.0010000400000000, -0.0006068400000000 ] - [ -0.0024266300000000, 0.0000085900000000, -0.0023114500000000 ] - [ 0.0021088300000000, 0.0025918100000000, -0.0039883700000000 ] - [ 0.0009305700000000, -0.0013988300000000, -0.0021183000000000 ] - [ -0.0009076800000000, 0.0004360800000000, -0.0094228200000000 ] - [ -0.0001266000000000, -0.0002515300000000, -0.0015256800000000 ] - [ -0.0014907300000000, -0.0054308300000000, 0.0036146700000000 ] - [ -0.0030891100000000, 0.0090665000000000, 0.0119898600000000 ] - [ -0.0000452200000000, 0.0009772600000000, -0.0016458700000000 ] - [ 0.0027860900000000, -0.0010539300000000, -0.0095494700000000 ] - [ 0.0075664600000000, 0.0005609400000000, 0.0095938600000000 ] - [ 0.0013484500000000, -0.0001642600000000, 0.0025278300000000 ]- atom: 33 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ 0.0001989100000000, -0.0009824800000000, -0.0011758100000000 ] - [ 0.0003649200000000, 0.0000225100000000, -0.0003803900000000 ] - [ -0.0001960200000000, -0.0007093800000000, -0.0007934400000000 ] - [ 0.0007645000000000, -0.0001521400000000, -0.0031880400000000 ] - [ -0.0016457600000000, 0.0022780000000000, 0.0017660400000000 ] - [ -0.0029438300000000, -0.0048004400000000, 0.0014991100000000 ] - [ -0.0105323700000000, 0.0048226800000000, -0.0147342300000000 ] - [ 0.0001689100000000, 0.0004002300000000, 0.0000169700000000 ] - [ 0.0005597800000000, -0.0026766600000000, -0.0040894800000000 ] - [ 0.0000085700000000, 0.0004145700000000, -0.0009418700000000 ] - [ -0.0008025700000000, -0.0024073400000000, -0.0010505100000000 ] - [ -0.0016959800000000, 0.0009111400000000, -0.0012003400000000 ] - [ -0.0001834700000000, 0.0010450400000000, 0.0000689500000000 ] - [ 0.0000260300000000, -0.0019786700000000, 0.0000326800000000 ] - [ 0.0087467300000000, 0.0227003800000000, -0.0036585500000000 ] - [ 0.0001090000000000, -0.0008598000000000, 0.0010014200000000 ] - [ -0.0000458600000000, -0.0017918600000000, -0.0021234300000000 ] - [ 0.0013073300000000, 0.0038044400000000, -0.0030552300000000 ] - [ -0.0004305100000000, -0.0005872500000000, -0.0026440500000000 ] - [ 0.0003271600000000, -0.0005246800000000, -0.0002510400000000 ] - [ 0.0001372800000000, 0.0019678600000000, 0.0025792000000000 ] - [ -0.0002214400000000, -0.0008597100000000, 0.0015367200000000 ] - [ -0.0003647000000000, 0.0009787400000000, -0.0001692500000000 ] - [ 0.0118219700000000, -0.0103800900000000, -0.0210366500000000 ] - [ -0.0001077600000000, 0.0004587000000000, -0.0029908600000000 ] - [ -0.0007023500000000, -0.0009681100000000, -0.0007025500000000 ] - [ 0.0020696600000000, -0.0017210300000000, 0.0015261800000000 ] - [ 0.0037262200000000, 0.0006148700000000, 0.0022970000000000 ] - [ 0.0001191900000000, 0.0006482100000000, -0.0007253400000000 ] - [ -0.0008783900000000, -0.0003206100000000, -0.0024908300000000 ] - [ 0.0086570300000000, -0.0127544100000000, -0.0014848000000000 ] - [ 0.0016370300000000, 0.0032789500000000, 0.0008626800000000 ] - [ -0.1019865800000000, 0.0294554000000000, 0.3029469900000000 ] - [ -0.0007969700000000, -0.0004014100000000, 0.0024831500000000 ] - [ 0.0001710600000000, 0.0010624300000000, -0.0021434500000000 ] - [ 0.0002296500000000, -0.0009045000000000, -0.0021145300000000 ] - [ 0.0001507400000000, 0.0003395900000000, -0.0000146100000000 ] - [ -0.0008893800000000, 0.0005789900000000, 0.0014146200000000 ] - [ 0.0008489300000000, 0.0003614600000000, -0.0024811200000000 ] - [ 0.0006273600000000, -0.0000836800000000, -0.0019917300000000 ] - [ -0.0054941800000000, -0.0081247700000000, -0.0029835300000000 ] - [ -0.0015579500000000, 0.0019752500000000, 0.0006906400000000 ] - [ -0.0001373500000000, 0.0005140300000000, -0.0019609400000000 ] - [ -0.0001742600000000, 0.0005172800000000, -0.0042233300000000 ] - [ 0.0012303700000000, 0.0016363200000000, 0.0022645700000000 ] - [ 0.0033189000000000, -0.0041288400000000, 0.0038644100000000 ] - [ -0.0008024100000000, 0.0007905200000000, -0.0011642000000000 ] - [ 0.0001378300000000, -0.0006126900000000, 0.0003293700000000 ] - [ -0.0002230400000000, -0.0006168600000000, -0.0001053500000000 ] - [ 0.0167873700000000, 0.0095925500000000, -0.0413181800000000 ] - [ 0.0005119900000000, -0.0001392000000000, -0.0024253800000000 ] - [ 0.0003274600000000, -0.0005955400000000, -0.0018245300000000 ] - [ 0.0023848200000000, 0.0000094400000000, 0.0036724700000000 ] - [ 0.0003231000000000, -0.0000882400000000, 0.0009277700000000 ] - [ 0.0010257900000000, 0.0027315900000000, -0.0031955000000000 ] - [ 0.0011098300000000, -0.0035582900000000, -0.0020267800000000 ] - [ 0.0011527900000000, 0.0012363900000000, 0.0060949500000000 ] - [ -0.0003136200000000, -0.0008616900000000, 0.0019845900000000 ] - [ 0.0057145200000000, -0.0003358600000000, -0.0027626200000000 ] - [ -0.0004421800000000, 0.0001026800000000, -0.0002787400000000 ] - [ 0.0019323100000000, -0.0100014400000000, -0.0004084200000000 ] - [ 0.0004013800000000, 0.0099789300000000, -0.0036152200000000 ] - [ 0.0002641500000000, 0.0006088100000000, 0.0007805800000000 ] - [ -0.0052435500000000, -0.0019663800000000, 0.0115379600000000 ] - [ -0.0018284300000000, 0.0000010700000000, -0.0017555500000000 ] - [ -0.0060954300000000, 0.0011642900000000, -0.0076011700000000 ] - [ -0.0015719500000000, 0.0021785000000000, 0.0048053300000000 ] - [ -0.0016699100000000, -0.0015758800000000, 0.0031908600000000 ] - [ -0.0003561100000000, -0.0007159300000000, 0.0022921700000000 ] - [ 0.0010959500000000, 0.0006635900000000, 0.0029972600000000 ] - [ 0.0373037300000000, -0.0601602200000000, -0.1049235700000000 ] - [ 0.0010635800000000, -0.0015916600000000, -0.0007782700000000 ] - [ 0.0004747600000000, -0.0022003400000000, -0.0005441800000000 ] - [ 0.0011812700000000, 0.0029612500000000, -0.0002485200000000 ] - [ 0.0340945300000000, 0.0339485100000000, -0.1061861400000000 ] - [ 0.0005659800000000, 0.0004414900000000, -0.0013871600000000 ] - [ 0.0007274600000000, 0.0009345500000000, 0.0003057400000000 ] - [ 0.0023273600000000, -0.0000970800000000, 0.0020434000000000 ] - [ -0.0014863000000000, -0.0023322100000000, 0.0044190900000000 ] - [ -0.0003022800000000, 0.0016863400000000, 0.0025519300000000 ] - [ 0.0011538000000000, -0.0005393600000000, 0.0095164300000000 ] - [ 0.0003775900000000, 0.0001666500000000, 0.0016013300000000 ] - [ 0.0012421900000000, 0.0053735100000000, -0.0036984900000000 ] - [ 0.0027909000000000, -0.0093041300000000, -0.0119299700000000 ] - [ -0.0002059600000000, -0.0008870400000000, 0.0015754800000000 ] - [ -0.0030465000000000, 0.0011445900000000, 0.0095108600000000 ] - [ -0.0073270400000000, -0.0004524200000000, -0.0095548100000000 ] - [ -0.0010972700000000, 0.0002479800000000, -0.0024562300000000 ]- atom: 41 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.0183285900000000, 0.0013216300000000, 0.0084337700000000 ] - [ 0.0005422300000000, -0.0003917700000000, -0.0002062300000000 ] - [ 0.0014082800000000, -0.0002332300000000, 0.0003036100000000 ] - [ 0.0012281100000000, -0.0009583300000000, 0.0005765300000000 ] - [ -0.0000924500000000, 0.0004253800000000, 0.0018573200000000 ] - [ 0.0002116500000000, 0.0009480800000000, 0.0007230400000000 ] - [ 0.0004382100000000, 0.0002252600000000, 0.0010354600000000 ] - [ 0.0001608200000000, 0.0005755500000000, 0.0002066600000000 ] - [ 0.0021421500000000, -0.0010541700000000, -0.0011774900000000 ] - [ 0.0001733300000000, 0.0000298300000000, -0.0003464300000000 ] - [ -0.0001972400000000, 0.0106754900000000, 0.0039774100000000 ] - [ -0.0009802300000000, -0.0013351200000000, -0.0002930200000000 ] - [ 0.0001851900000000, 0.0003546700000000, 0.0001339900000000 ] - [ 0.0001245200000000, 0.0000878800000000, -0.0000014200000000 ] - [ -0.0015849100000000, -0.0007559400000000, -0.0007788000000000 ] - [ -0.0001887400000000, 0.0000787200000000, 0.0002394100000000 ] - [ 0.0030675900000000, -0.0011792700000000, -0.0033300800000000 ] - [ 0.0004263900000000, 0.0011336900000000, -0.0014764300000000 ] - [ -0.0025234500000000, -0.0056160200000000, 0.0074874000000000 ] - [ 0.0000882200000000, 0.0014531400000000, 0.0006929700000000 ] - [ 0.0019675200000000, 0.0007251700000000, -0.0010120100000000 ] - [ 0.0003587300000000, 0.0003802800000000, 0.0006129400000000 ] - [ -0.0006697900000000, 0.0007095100000000, -0.0005484500000000 ] - [ -0.0008478100000000, 0.0004196300000000, 0.0003624300000000 ] - [ -0.0001705500000000, -0.0006162100000000, 0.0003426900000000 ] - [ -0.0002184500000000, -0.0002382600000000, 0.0000617000000000 ] - [ 0.0040785600000000, 0.0001532400000000, 0.0005043600000000 ] - [ 0.0017042800000000, -0.0009743700000000, -0.0001349700000000 ] - [ 0.0002060600000000, 0.0006522900000000, 0.0005235600000000 ] - [ 0.0002672000000000, -0.0000050900000000, 0.0005447800000000 ] - [ 0.0399559900000000, -0.0004890500000000, 0.0122577800000000 ] - [ 0.0001817300000000, 0.0005505900000000, 0.0000085900000000 ] - [ -0.0027182400000000, 0.0030690500000000, 0.0054124200000000 ] - [ -0.0010110300000000, -0.0017812200000000, 0.0018518000000000 ] - [ 0.0003025400000000, -0.0001355000000000, -0.0002840800000000 ] - [ 0.0001338700000000, -0.0003405500000000, -0.0003986200000000 ] - [ 0.0008684800000000, 0.0009858000000000, -0.0015483500000000 ] - [ 0.0044786500000000, -0.0065492100000000, -0.0020273600000000 ] - [ 0.0005716400000000, 0.0004767900000000, 0.0018388100000000 ] - [ -0.0000094400000000, 0.0003078400000000, 0.0004613000000000 ] - [ -0.1742891100000000, -0.0751922300000000, -0.0760629100000000 ] - [ -0.0007278600000000, 0.0002786100000000, 0.0002081800000000 ] - [ -0.0000501800000000, 0.0003457700000000, -0.0009964400000000 ] - [ -0.0000542800000000, 0.0001422800000000, -0.0010823300000000 ] - [ 0.0005421900000000, 0.0028596800000000, -0.0030338800000000 ] - [ -0.0005111800000000, -0.0005748700000000, -0.0011980400000000 ] - [ -0.0001310100000000, -0.0005481900000000, 0.0007685500000000 ] - [ -0.0001351500000000, -0.0001510500000000, 0.0007774200000000 ] - [ -0.0002970200000000, -0.0020520900000000, -0.0016573300000000 ] - [ 0.0016778800000000, 0.0062663900000000, -0.0023339900000000 ] - [ -0.0013094000000000, -0.0001185900000000, 0.0005743400000000 ] - [ -0.0000149100000000, -0.0001172800000000, -0.0000279900000000 ] - [ 0.0015229100000000, -0.0005464200000000, -0.0010993300000000 ] - [ 0.0006504300000000, 0.0004390600000000, -0.0002429700000000 ] - [ -0.0003986000000000, 0.0003504800000000, 0.0003868300000000 ] - [ -0.0003006500000000, 0.0002995700000000, 0.0003424700000000 ] - [ 0.0239023100000000, 0.0051242900000000, 0.0226500900000000 ] - [ -0.0004205700000000, -0.0000654100000000, 0.0009379600000000 ] - [ -0.0013453100000000, 0.0001607300000000, 0.0000091400000000 ] - [ -0.0006117900000000, -0.0002409400000000, 0.0003499600000000 ] - [ 0.0019099600000000, 0.0000368500000000, 0.0000831100000000 ] - [ 0.0008772100000000, -0.0004030100000000, -0.0005826000000000 ] - [ -0.0001398000000000, 0.0004715400000000, 0.0007196400000000 ] - [ -0.0017606100000000, -0.0002296600000000, 0.0036334700000000 ] - [ -0.0025776700000000, -0.0008066300000000, -0.0000439400000000 ] - [ -0.0012132400000000, 0.0020530700000000, 0.0028633300000000 ] - [ -0.0087001300000000, -0.0004996700000000, 0.0006583100000000 ] - [ -0.0007466700000000, -0.0005161100000000, 0.0005563800000000 ] - [ 0.0003382800000000, -0.0002937700000000, -0.0008106400000000 ] - [ 0.0002136100000000, 0.0001694200000000, -0.0002694000000000 ] - [ 0.0905315700000000, 0.0605757500000000, 0.0204214800000000 ] - [ 0.0007749500000000, 0.0007213800000000, 0.0004174400000000 ] - [ -0.0014055700000000, -0.0005060000000000, -0.0013393500000000 ] - [ -0.0005910000000000, -0.0000342700000000, -0.0006175800000000 ] - [ 0.0021163400000000, 0.0021453000000000, -0.0036685200000000 ] - [ 0.0004884600000000, -0.0001434300000000, -0.0009787000000000 ] - [ -0.0023891800000000, -0.0030047400000000, 0.0000636400000000 ] - [ -0.0006642000000000, 0.0044662600000000, -0.0020540600000000 ] - [ 0.0002968000000000, 0.0005488600000000, -0.0003523300000000 ] - [ 0.0002163600000000, -0.0001177900000000, 0.0001578100000000 ] - [ 0.0011357500000000, 0.0000190300000000, -0.0013761900000000 ] - [ 0.0004732900000000, -0.0003706500000000, -0.0003674200000000 ] - [ 0.0139362100000000, -0.0005922100000000, 0.0037268300000000 ] - [ 0.0004157700000000, -0.0032046400000000, -0.0006720800000000 ] - [ -0.0003361700000000, -0.0004060500000000, -0.0004949700000000 ] - [ -0.0003366500000000, 0.0004004600000000, -0.0006332600000000 ] - [ -0.0129094000000000, -0.0000809800000000, 0.0046965800000000 ] - [ -0.0000411900000000, -0.0001443000000000, 0.0001063100000000 ]- atom: 41 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0179395700000000, -0.0023635200000000, -0.0085092200000000 ] - [ -0.0003694300000000, -0.0006840600000000, -0.0000414200000000 ] - [ -0.0015930100000000, -0.0008433200000000, -0.0000585700000000 ] - [ -0.0014094200000000, -0.0001142500000000, -0.0003169100000000 ] - [ -0.0000695100000000, 0.0006538900000000, -0.0016045800000000 ] - [ -0.0003798300000000, 0.0001330500000000, -0.0004686700000000 ] - [ -0.0002570700000000, 0.0008450300000000, -0.0012880000000000 ] - [ 0.0000142200000000, 0.0005017100000000, -0.0004579700000000 ] - [ -0.0020390100000000, 0.0005601300000000, 0.0012841100000000 ] - [ -0.0000881900000000, -0.0005126200000000, 0.0004379600000000 ] - [ 0.0000396200000000, -0.0112054700000000, -0.0040646000000000 ] - [ 0.0008858500000000, 0.0008497700000000, 0.0002039700000000 ] - [ -0.0002714600000000, 0.0001394600000000, -0.0002335500000000 ] - [ -0.0002112100000000, 0.0003950900000000, -0.0000971500000000 ] - [ 0.0016421800000000, 0.0012298300000000, 0.0008868800000000 ] - [ 0.0002709600000000, 0.0004041300000000, -0.0001477500000000 ] - [ -0.0035697000000000, 0.0005907500000000, 0.0022512900000000 ] - [ -0.0009474400000000, -0.0017321300000000, 0.0003899400000000 ] - [ 0.0029492200000000, 0.0051205500000000, -0.0064817800000000 ] - [ 0.0004341200000000, -0.0020584600000000, 0.0003941600000000 ] - [ -0.0014298300000000, -0.0001109600000000, 0.0020308700000000 ] - [ 0.0001619000000000, 0.0002215800000000, 0.0004746200000000 ] - [ 0.0001437600000000, -0.0000967400000000, -0.0005428500000000 ] - [ 0.0003220600000000, 0.0001853600000000, -0.0014488700000000 ] - [ -0.0003764400000000, -0.0002684500000000, -0.0004352100000000 ] - [ -0.0003358400000000, -0.0006539200000000, -0.0001524400000000 ] - [ -0.0034962500000000, -0.0010002400000000, -0.0004100600000000 ] - [ -0.0011519600000000, 0.0000820100000000, 0.0002240200000000 ] - [ 0.0003451300000000, 0.0002359100000000, -0.0004398100000000 ] - [ 0.0002890500000000, 0.0009078100000000, -0.0004617200000000 ] - [ -0.0412427300000000, 0.0014192100000000, -0.0125968800000000 ] - [ -0.0007301000000000, 0.0003417900000000, -0.0000935900000000 ] - [ 0.0023566300000000, -0.0036982900000000, -0.0040101500000000 ] - [ 0.0006180000000000, 0.0012006900000000, -0.0004485500000000 ] - [ 0.0001027000000000, -0.0004624500000000, -0.0011473100000000 ] - [ 0.0002628900000000, -0.0002573100000000, -0.0010092300000000 ] - [ -0.0004843500000000, -0.0003967900000000, 0.0001605500000000 ] - [ -0.0040723200000000, 0.0070644800000000, 0.0006286100000000 ] - [ -0.0009640800000000, 0.0001041700000000, -0.0004112000000000 ] - [ -0.0003842000000000, 0.0002876700000000, 0.0009410800000000 ] - [ 0.1772491900000000, 0.0791119400000000, 0.0787000200000000 ] - [ 0.0003893900000000, 0.0002643000000000, 0.0012300500000000 ] - [ 0.0003903200000000, 0.0001946900000000, -0.0004369500000000 ] - [ 0.0003911900000000, 0.0004021300000000, -0.0003540200000000 ] - [ -0.0002270100000000, -0.0033695500000000, 0.0015799200000000 ] - [ 0.0008470300000000, 0.0000349700000000, -0.0002372400000000 ] - [ -0.0002175200000000, 0.0000111200000000, 0.0006550800000000 ] - [ -0.0002026700000000, -0.0003879600000000, 0.0006542000000000 ] - [ -0.0001838700000000, 0.0015254200000000, 0.0019626700000000 ] - [ -0.0021559200000000, -0.0068565800000000, 0.0026405800000000 ] - [ 0.0017926300000000, -0.0004281200000000, -0.0009273100000000 ] - [ 0.0004975800000000, -0.0004092800000000, -0.0002788400000000 ] - [ -0.0010472400000000, 0.0010237900000000, 0.0007850700000000 ] - [ -0.0001707700000000, 0.0000935600000000, -0.0000603000000000 ] - [ -0.0000856900000000, 0.0001584600000000, -0.0000912900000000 ] - [ -0.0001826400000000, 0.0002276000000000, -0.0000393200000000 ] - [ -0.0246602900000000, -0.0046774400000000, -0.0210051900000000 ] - [ -0.0004587700000000, 0.0002830900000000, -0.0000355500000000 ] - [ 0.0004546900000000, -0.0003643000000000, 0.0009186000000000 ] - [ -0.0002684500000000, 0.0000131800000000, 0.0005569000000000 ] - [ -0.0010245800000000, -0.0002509500000000, -0.0009792900000000 ] - [ 0.0000060300000000, 0.0001789400000000, -0.0003166700000000 ] - [ 0.0010193500000000, -0.0002551600000000, -0.0016269600000000 ] - [ 0.0026353700000000, 0.0004580000000000, -0.0045310900000000 ] - [ 0.0019607700000000, 0.0010482300000000, -0.0003941100000000 ] - [ 0.0005933300000000, -0.0017570800000000, -0.0033052000000000 ] - [ 0.0087635900000000, 0.0004188900000000, -0.0003871100000000 ] - [ 0.0008338200000000, 0.0004379100000000, -0.0002473600000000 ] - [ -0.0009790700000000, 0.0000480300000000, 0.0004007100000000 ] - [ -0.0008469700000000, -0.0004438600000000, -0.0001607300000000 ] - [ -0.0929707600000000, -0.0647385800000000, -0.0213426200000000 ] - [ -0.0001502900000000, -0.0009946200000000, 0.0000063800000000 ] - [ 0.0012940200000000, 0.0005561400000000, 0.0010534300000000 ] - [ 0.0004945200000000, 0.0001081600000000, 0.0003105800000000 ] - [ -0.0020163000000000, -0.0020558700000000, 0.0039504400000000 ] - [ -0.0003937200000000, 0.0002136500000000, 0.0012888600000000 ] - [ 0.0023079700000000, 0.0029531400000000, -0.0003687700000000 ] - [ 0.0006260000000000, -0.0045792400000000, 0.0016875400000000 ] - [ 0.0003441200000000, -0.0002657800000000, 0.0007871700000000 ] - [ 0.0004098800000000, 0.0003819600000000, 0.0002775500000000 ] - [ -0.0009006800000000, -0.0001056600000000, 0.0014755800000000 ] - [ -0.0002174400000000, 0.0002851400000000, 0.0004387900000000 ] - [ -0.0144282400000000, 0.0008099800000000, -0.0039551000000000 ] - [ -0.0006745200000000, 0.0031055200000000, 0.0006043600000000 ] - [ 0.0000824000000000, 0.0004857700000000, 0.0004355100000000 ] - [ 0.0000882700000000, -0.0003134300000000, 0.0005742300000000 ] - [ 0.0136695100000000, 0.0001749600000000, -0.0047790300000000 ] - [ 0.0002970900000000, 0.0002296700000000, -0.0000442300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041047700000000, -0.0039488300000000, 0.0017850400000000 ] - [ 0.0004914200000000, 0.0009728500000000, -0.0001653100000000 ] - [ 0.0021978900000000, 0.0006799800000000, 0.0018124800000000 ] - [ -0.0011814900000000, -0.0000614000000000, -0.0013237500000000 ] - [ -0.0005468700000000, -0.0005322600000000, -0.0025579300000000 ] - [ 0.0003284100000000, 0.0020950000000000, 0.0013292100000000 ] - [ 0.0009732000000000, -0.0005434100000000, 0.0016402200000000 ] - [ -0.0001714600000000, 0.0012403300000000, -0.0004229200000000 ] - [ 0.0012797500000000, -0.0037197300000000, -0.0005516000000000 ] - [ -0.0002187800000000, 0.0022292200000000, 0.0003433500000000 ] - [ 0.0079442500000000, 0.0217534400000000, 0.0110184300000000 ] - [ -0.0001811300000000, 0.0024468800000000, -0.0005381900000000 ] - [ -0.0000985100000000, 0.0001559300000000, -0.0003845700000000 ] - [ 0.0000568400000000, 0.0007032700000000, 0.0002522500000000 ] - [ -0.0009922300000000, -0.0042195000000000, 0.0010379300000000 ] - [ 0.0003404700000000, 0.0023321100000000, -0.0001029400000000 ] - [ -0.0027785300000000, -0.0014137900000000, 0.0020351500000000 ] - [ 0.0005838700000000, 0.0032536900000000, -0.0018759700000000 ] - [ -0.0034503300000000, 0.0044091300000000, -0.0137454700000000 ] - [ 0.0000801500000000, 0.0039795500000000, 0.0014107400000000 ] - [ 0.0002293000000000, -0.0015766300000000, 0.0003036200000000 ] - [ 0.0005909300000000, 0.0018792300000000, 0.0005406200000000 ] - [ -0.0003579600000000, 0.0011068200000000, -0.0013755800000000 ] - [ -0.0011961300000000, 0.0007012900000000, 0.0010438500000000 ] - [ -0.0008287900000000, -0.0016189600000000, -0.0002957200000000 ] - [ 0.0000231400000000, 0.0005387600000000, 0.0001559000000000 ] - [ -0.0034086100000000, -0.0027101800000000, -0.0010742200000000 ] - [ 0.0005636100000000, 0.0017664100000000, 0.0009623300000000 ] - [ 0.0001037200000000, 0.0006180300000000, 0.0010446900000000 ] - [ 0.0005875000000000, 0.0011982300000000, -0.0006050900000000 ] - [ 0.0052427000000000, -0.0087460900000000, 0.0009668800000000 ] - [ -0.0003854200000000, 0.0031569900000000, -0.0002388000000000 ] - [ 0.0026876200000000, 0.0047484700000000, 0.0116093200000000 ] - [ 0.0005343300000000, 0.0026976700000000, -0.0008484500000000 ] - [ -0.0000623600000000, -0.0013339000000000, -0.0005602600000000 ] - [ 0.0002904200000000, 0.0006811000000000, -0.0003820400000000 ] - [ 0.0012843500000000, 0.0028043900000000, -0.0022847300000000 ] - [ -0.0055899100000000, 0.0056777100000000, 0.0006125200000000 ] - [ -0.0003407100000000, -0.0010663800000000, 0.0018195900000000 ] - [ -0.0000533000000000, 0.0014000000000000, 0.0003997900000000 ] - [ -0.0752803000000000, -0.1492338100000000, -0.0346034800000000 ] - [ -0.0001587600000000, 0.0028994700000000, 0.0005552600000000 ] - [ 0.0003001300000000, 0.0005144600000000, 0.0001693700000000 ] - [ 0.0000946500000000, 0.0005212900000000, -0.0014914300000000 ] - [ 0.0032991300000000, 0.0021967400000000, -0.0056271400000000 ] - [ -0.0001294100000000, 0.0015850000000000, 0.0000766200000000 ] - [ 0.0001066800000000, -0.0012659500000000, 0.0008280100000000 ] - [ -0.0002874800000000, 0.0006355200000000, 0.0007275000000000 ] - [ -0.0005788200000000, 0.0039786200000000, 0.0017415500000000 ] - [ 0.0063708400000000, 0.0061434900000000, -0.0030345900000000 ] - [ -0.0000200500000000, -0.0026686400000000, 0.0026779600000000 ] - [ -0.0000205200000000, 0.0016884000000000, -0.0001257600000000 ] - [ -0.0001433500000000, -0.0014482400000000, 0.0008096400000000 ] - [ 0.0008055600000000, 0.0022182900000000, -0.0010227300000000 ] - [ -0.0003004800000000, -0.0010905600000000, 0.0002546400000000 ] - [ -0.0003981100000000, 0.0014898200000000, 0.0003572200000000 ] - [ 0.0060317200000000, 0.0200652400000000, 0.0124887600000000 ] - [ -0.0005174200000000, -0.0041210800000000, 0.0011024000000000 ] - [ -0.0014097600000000, 0.0014560900000000, -0.0004101700000000 ] - [ -0.0004593200000000, -0.0016304600000000, 0.0010888900000000 ] - [ 0.0003803000000000, 0.0028681600000000, 0.0021530300000000 ] - [ 0.0009909400000000, -0.0026342900000000, -0.0012828700000000 ] - [ 0.0003014900000000, -0.0016867900000000, -0.0021930700000000 ] - [ -0.0011660300000000, 0.0001729900000000, 0.0055334000000000 ] - [ -0.0020293400000000, -0.0030426700000000, 0.0011419700000000 ] - [ 0.0006837300000000, -0.0019483900000000, -0.0042049500000000 ] - [ -0.0001263200000000, 0.0049290000000000, -0.0014761400000000 ] - [ -0.0006871900000000, -0.0035406800000000, 0.0008006200000000 ] - [ 0.0003594100000000, 0.0005963200000000, -0.0022761500000000 ] - [ -0.0004025600000000, -0.0020450200000000, 0.0000210300000000 ] - [ 0.0576578600000000, 0.0752555100000000, 0.0179160800000000 ] - [ 0.0003863200000000, -0.0055108300000000, 0.0008866000000000 ] - [ 0.0011312500000000, 0.0018152200000000, 0.0008300900000000 ] - [ -0.0010411800000000, -0.0016714800000000, -0.0010651200000000 ] - [ 0.0030158900000000, 0.0046631400000000, -0.0079669600000000 ] - [ -0.0002445600000000, -0.0021783200000000, 0.0016847400000000 ] - [ -0.0039735500000000, -0.0067479100000000, -0.0009986000000000 ] - [ 0.0025196600000000, -0.0046656700000000, 0.0019380600000000 ] - [ 0.0007601400000000, 0.0028183200000000, -0.0003517900000000 ] - [ 0.0001592600000000, -0.0019003200000000, 0.0001472400000000 ] - [ -0.0011358700000000, 0.0030177300000000, 0.0016377200000000 ] - [ 0.0005710300000000, -0.0021974800000000, -0.0009381700000000 ] - [ -0.0014824000000000, 0.0171501200000000, -0.0015169600000000 ] - [ 0.0000500700000000, -0.0078220300000000, -0.0006780600000000 ] - [ -0.0004004500000000, -0.0000216400000000, -0.0011545400000000 ] - [ 0.0002999200000000, -0.0002630700000000, 0.0003352000000000 ] - [ -0.0024399500000000, 0.0111928500000000, 0.0014901300000000 ] - [ -0.0001189600000000, -0.0042718900000000, 0.0002346100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0040327600000000, 0.0028426200000000, -0.0020766200000000 ] - [ -0.0003162800000000, -0.0020510800000000, -0.0000740900000000 ] - [ -0.0023605600000000, -0.0017607200000000, -0.0015642500000000 ] - [ 0.0009890800000000, -0.0010053300000000, 0.0015717000000000 ] - [ 0.0003582200000000, 0.0016001600000000, 0.0027763200000000 ] - [ -0.0005112700000000, -0.0010232000000000, -0.0010978200000000 ] - [ -0.0008050800000000, 0.0016285500000000, -0.0019001400000000 ] - [ 0.0003503300000000, -0.0001656800000000, 0.0001793400000000 ] - [ -0.0012102600000000, 0.0032623800000000, 0.0006381300000000 ] - [ 0.0002942600000000, -0.0027134800000000, -0.0002506300000000 ] - [ -0.0079468200000000, -0.0219836100000000, -0.0109287400000000 ] - [ 0.0001122700000000, -0.0029139700000000, 0.0004621100000000 ] - [ 0.0000279000000000, 0.0003090900000000, 0.0002940300000000 ] - [ -0.0001308800000000, -0.0002254200000000, -0.0003419700000000 ] - [ 0.0010829400000000, 0.0047258900000000, -0.0009317600000000 ] - [ -0.0002670400000000, -0.0018566300000000, 0.0001877300000000 ] - [ 0.0022368500000000, 0.0007780300000000, -0.0031032000000000 ] - [ -0.0011103900000000, -0.0038735000000000, 0.0008036000000000 ] - [ 0.0039869600000000, -0.0049319400000000, 0.0149126500000000 ] - [ 0.0004424100000000, -0.0045767000000000, -0.0003206200000000 ] - [ 0.0002881000000000, 0.0021822700000000, 0.0007995200000000 ] - [ -0.0000659500000000, -0.0012707100000000, 0.0005408400000000 ] - [ -0.0001662600000000, -0.0004991300000000, 0.0002865800000000 ] - [ 0.0006829300000000, -0.0000954100000000, -0.0021448400000000 ] - [ 0.0002702200000000, 0.0007316100000000, 0.0002029200000000 ] - [ -0.0005810500000000, -0.0014352800000000, -0.0002451800000000 ] - [ 0.0039115300000000, 0.0017793500000000, 0.0011561400000000 ] - [ -0.0000105900000000, -0.0026643200000000, -0.0008816200000000 ] - [ 0.0004555200000000, 0.0002683100000000, -0.0009577900000000 ] - [ -0.0000310000000000, -0.0002968800000000, 0.0006851000000000 ] - [ -0.0058228900000000, 0.0097095700000000, -0.0010204700000000 ] - [ -0.0001783000000000, -0.0022628400000000, 0.0001509500000000 ] - [ -0.0031368200000000, -0.0054564800000000, -0.0104169000000000 ] - [ -0.0009198300000000, -0.0032491000000000, 0.0022401300000000 ] - [ 0.0004574100000000, 0.0007680600000000, -0.0008524900000000 ] - [ 0.0001050700000000, -0.0012366000000000, -0.0010252300000000 ] - [ -0.0008866900000000, -0.0022422400000000, 0.0008767600000000 ] - [ 0.0060774800000000, -0.0051705200000000, -0.0020102600000000 ] - [ -0.0000588300000000, 0.0016202500000000, -0.0004269300000000 ] - [ -0.0003459100000000, -0.0008344000000000, 0.0010135000000000 ] - [ 0.0789882400000000, 0.1511962900000000, 0.0373912200000000 ] - [ -0.0001682800000000, -0.0023630000000000, 0.0008825700000000 ] - [ 0.0000364000000000, 0.0000104500000000, -0.0016016000000000 ] - [ 0.0002415100000000, 0.0000186200000000, 0.0000609500000000 ] - [ -0.0029349200000000, -0.0027099500000000, 0.0041496700000000 ] - [ 0.0004671700000000, -0.0021219800000000, -0.0015115000000000 ] - [ -0.0004427300000000, 0.0007381600000000, 0.0006023300000000 ] - [ -0.0000469500000000, -0.0011724400000000, 0.0007036800000000 ] - [ 0.0000951700000000, -0.0044913500000000, -0.0014307000000000 ] - [ -0.0070048000000000, -0.0068208900000000, 0.0033996500000000 ] - [ 0.0005125200000000, 0.0021263900000000, -0.0030162200000000 ] - [ 0.0005051900000000, -0.0022066400000000, -0.0001673900000000 ] - [ 0.0006242500000000, 0.0019853300000000, -0.0011023200000000 ] - [ -0.0003228400000000, -0.0016992200000000, 0.0007257900000000 ] - [ -0.0001792600000000, 0.0016025000000000, 0.0000340500000000 ] - [ -0.0000798000000000, -0.0009720600000000, -0.0000697300000000 ] - [ -0.0068699400000000, -0.0199945300000000, -0.0115145400000000 ] - [ -0.0003601700000000, 0.0043407700000000, -0.0002034000000000 ] - [ 0.0005421500000000, -0.0016921900000000, 0.0013149500000000 ] - [ -0.0004155000000000, 0.0014106500000000, -0.0001793200000000 ] - [ 0.0004922800000000, -0.0030807900000000, -0.0030521000000000 ] - [ -0.0001185000000000, 0.0024145800000000, 0.0003875800000000 ] - [ 0.0005770200000000, 0.0019267700000000, 0.0012793200000000 ] - [ 0.0020585100000000, 0.0000331500000000, -0.0064885900000000 ] - [ 0.0014083600000000, 0.0033230000000000, -0.0015745100000000 ] - [ -0.0013087200000000, 0.0022149200000000, 0.0037918900000000 ] - [ 0.0002447700000000, -0.0049953600000000, 0.0018224600000000 ] - [ 0.0007712500000000, 0.0034695600000000, -0.0004946100000000 ] - [ -0.0009979100000000, -0.0008437100000000, 0.0018585500000000 ] - [ -0.0002314600000000, 0.0017573400000000, -0.0004525300000000 ] - [ -0.0604274400000000, -0.0777188700000000, -0.0186257900000000 ] - [ 0.0002401300000000, 0.0052198900000000, -0.0004578800000000 ] - [ -0.0012125600000000, -0.0017258200000000, -0.0011296000000000 ] - [ 0.0009650200000000, 0.0017439400000000, 0.0007628300000000 ] - [ -0.0029633600000000, -0.0046351400000000, 0.0083361400000000 ] - [ 0.0003303400000000, 0.0022490500000000, -0.0013604300000000 ] - [ 0.0039069900000000, 0.0067188500000000, 0.0007042600000000 ] - [ -0.0025836400000000, 0.0045392800000000, -0.0023011000000000 ] - [ -0.0001280300000000, -0.0025457900000000, 0.0007927600000000 ] - [ 0.0004712500000000, 0.0021786100000000, 0.0002836000000000 ] - [ 0.0013798800000000, -0.0031234800000000, -0.0015352900000000 ] - [ -0.0003176100000000, 0.0021118300000000, 0.0010106900000000 ] - [ 0.0006439900000000, -0.0163494800000000, 0.0011122800000000 ] - [ -0.0003064000000000, 0.0077687600000000, 0.0006094800000000 ] - [ 0.0001466700000000, 0.0001213800000000, 0.0010841400000000 ] - [ -0.0005486900000000, 0.0003455000000000, -0.0003995200000000 ] - [ 0.0027147900000000, -0.0110789300000000, -0.0014773000000000 ] - [ 0.0003716600000000, 0.0043651400000000, -0.0001613200000000 ]- atom: 41 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ 0.0004386500000000, -0.0005939500000000, -0.0039472900000000 ] - [ 0.0001016700000000, -0.0006795300000000, -0.0005149700000000 ] - [ 0.0000718300000000, 0.0001491400000000, 0.0005528000000000 ] - [ 0.0012717100000000, -0.0016434500000000, -0.0001491900000000 ] - [ 0.0009648700000000, -0.0003322300000000, 0.0006483500000000 ] - [ 0.0002690100000000, 0.0013689900000000, 0.0004959100000000 ] - [ 0.0014909300000000, 0.0007305500000000, 0.0023692000000000 ] - [ 0.0001635000000000, 0.0004190400000000, 0.0002747100000000 ] - [ -0.0017623300000000, -0.0006739500000000, 0.0011240600000000 ] - [ 0.0000958200000000, -0.0002327500000000, -0.0000457700000000 ] - [ 0.0037437200000000, 0.0076273600000000, -0.0001349600000000 ] - [ 0.0002373900000000, -0.0014093600000000, -0.0012511300000000 ] - [ -0.0000157000000000, -0.0001409500000000, 0.0007180000000000 ] - [ 0.0000249800000000, 0.0007680000000000, 0.0007251900000000 ] - [ -0.0002166100000000, 0.0012328300000000, 0.0088506000000000 ] - [ 0.0000816600000000, 0.0003687100000000, 0.0000837600000000 ] - [ -0.0024843000000000, 0.0022570300000000, -0.0003533400000000 ] - [ -0.0003763800000000, -0.0014243700000000, -0.0006629200000000 ] - [ 0.0077624200000000, -0.0147078600000000, 0.0122771500000000 ] - [ 0.0002282200000000, 0.0004333600000000, 0.0004702500000000 ] - [ -0.0010060900000000, -0.0003977500000000, 0.0031332300000000 ] - [ 0.0002857100000000, 0.0003650100000000, 0.0007715200000000 ] - [ -0.0001168800000000, -0.0004351100000000, 0.0003850200000000 ] - [ -0.0008100600000000, 0.0019488200000000, 0.0010086400000000 ] - [ 0.0004506200000000, -0.0003277400000000, 0.0018780100000000 ] - [ -0.0000873800000000, -0.0003562200000000, 0.0003386200000000 ] - [ -0.0010817800000000, -0.0019828000000000, -0.0005788900000000 ] - [ -0.0003343400000000, 0.0002933100000000, -0.0003712000000000 ] - [ 0.0006932100000000, 0.0013166400000000, 0.0008966000000000 ] - [ 0.0005179700000000, -0.0005070600000000, 0.0013888600000000 ] - [ -0.0082732400000000, 0.0007914300000000, -0.0107458600000000 ] - [ -0.0004047900000000, 0.0005379100000000, -0.0003671000000000 ] - [ 0.0046326500000000, 0.0067088900000000, 0.0041300600000000 ] - [ 0.0000900500000000, -0.0003576400000000, 0.0001589700000000 ] - [ -0.0006213900000000, -0.0001758100000000, 0.0022074800000000 ] - [ -0.0000509400000000, -0.0004280100000000, 0.0002571400000000 ] - [ 0.0008352800000000, 0.0004939400000000, -0.0027881000000000 ] - [ -0.0016118000000000, 0.0045212500000000, -0.0045388100000000 ] - [ -0.0007196000000000, 0.0004932600000000, 0.0019791100000000 ] - [ -0.0003294400000000, 0.0001378200000000, 0.0011773900000000 ] - [ 0.0115049800000000, 0.0037231000000000, -0.0974679600000000 ] - [ -0.0003673100000000, 0.0001233900000000, 0.0002113300000000 ] - [ -0.0000471700000000, 0.0009262000000000, -0.0000180400000000 ] - [ 0.0000259800000000, -0.0004535100000000, 0.0000193000000000 ] - [ -0.0020398300000000, -0.0060184400000000, 0.0010002800000000 ] - [ 0.0000582600000000, 0.0005708000000000, -0.0009364300000000 ] - [ -0.0001438700000000, -0.0002429200000000, 0.0022279900000000 ] - [ -0.0001325000000000, -0.0003367300000000, 0.0011746100000000 ] - [ -0.0003164900000000, -0.0007032400000000, -0.0013819900000000 ] - [ -0.0020675300000000, -0.0037838500000000, -0.0025568500000000 ] - [ -0.0001770800000000, 0.0023309200000000, 0.0061616000000000 ] - [ 0.0001930900000000, -0.0003927500000000, 0.0000250800000000 ] - [ -0.0004533700000000, 0.0020447400000000, 0.0002668100000000 ] - [ -0.0000634400000000, -0.0005655300000000, -0.0001385900000000 ] - [ -0.0008494200000000, -0.0003569800000000, 0.0024309800000000 ] - [ -0.0004296400000000, 0.0006102700000000, 0.0008846700000000 ] - [ 0.0077761400000000, 0.0070246100000000, 0.0544655700000000 ] - [ -0.0004903300000000, 0.0003961900000000, 0.0008030200000000 ] - [ -0.0006504400000000, -0.0006690200000000, -0.0012892100000000 ] - [ -0.0002899700000000, 0.0001927000000000, -0.0001963400000000 ] - [ -0.0001673300000000, 0.0033239500000000, -0.0036155100000000 ] - [ 0.0006142700000000, -0.0013496800000000, -0.0009531200000000 ] - [ 0.0001867600000000, -0.0017339400000000, -0.0000678200000000 ] - [ 0.0014192800000000, 0.0017115500000000, -0.0013413400000000 ] - [ 0.0011004700000000, 0.0034319300000000, 0.0019863600000000 ] - [ 0.0004862700000000, -0.0021478500000000, 0.0000758300000000 ] - [ 0.0036030200000000, -0.0005625500000000, -0.0006570100000000 ] - [ 0.0004205100000000, 0.0003244900000000, 0.0001162500000000 ] - [ 0.0008717200000000, -0.0030080900000000, -0.0036556400000000 ] - [ -0.0000096800000000, 0.0010358600000000, -0.0010860100000000 ] - [ -0.0226396800000000, -0.0119849700000000, 0.0191881400000000 ] - [ 0.0005335300000000, 0.0000467100000000, 0.0008560300000000 ] - [ 0.0003358500000000, 0.0009472700000000, -0.0027423000000000 ] - [ -0.0002316500000000, -0.0005933900000000, -0.0012333600000000 ] - [ -0.0015784600000000, -0.0034946700000000, -0.0058631600000000 ] - [ -0.0003580300000000, 0.0005272200000000, 0.0001064100000000 ] - [ -0.0011536200000000, -0.0025052000000000, 0.0004877500000000 ] - [ -0.0048705400000000, 0.0047467400000000, 0.0075521600000000 ] - [ 0.0005422500000000, -0.0001481300000000, -0.0029046200000000 ] - [ 0.0002992100000000, 0.0001005600000000, -0.0005456200000000 ] - [ 0.0011939000000000, 0.0009362500000000, -0.0059707200000000 ] - [ 0.0001791300000000, -0.0004429800000000, -0.0008220300000000 ] - [ -0.0022023100000000, -0.0002312000000000, 0.0094144000000000 ] - [ -0.0006562200000000, -0.0007080000000000, 0.0032308500000000 ] - [ -0.0003111300000000, 0.0000995300000000, -0.0017958900000000 ] - [ -0.0003107800000000, 0.0002487600000000, -0.0025760000000000 ] - [ 0.0074214900000000, 0.0010519600000000, 0.0043926000000000 ] - [ 0.0000929000000000, -0.0001988500000000, 0.0008864500000000 ]- atom: 41 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ -0.0003008400000000, -0.0004954400000000, 0.0036735000000000 ] - [ 0.0000783100000000, -0.0003950100000000, 0.0002672000000000 ] - [ -0.0002482100000000, -0.0012231700000000, -0.0003043600000000 ] - [ -0.0014414500000000, 0.0005618700000000, 0.0003921200000000 ] - [ -0.0011411500000000, 0.0014126400000000, -0.0003889000000000 ] - [ -0.0004388400000000, -0.0002883900000000, -0.0002402700000000 ] - [ -0.0013171600000000, 0.0003395400000000, -0.0026081900000000 ] - [ 0.0000212400000000, 0.0006562000000000, -0.0005153300000000 ] - [ 0.0018246800000000, 0.0001782600000000, -0.0010254200000000 ] - [ -0.0000142500000000, -0.0002427900000000, 0.0001325100000000 ] - [ -0.0038306600000000, -0.0081213400000000, 0.0000142000000000 ] - [ -0.0003234800000000, 0.0009279700000000, 0.0011550400000000 ] - [ -0.0000693300000000, 0.0006305900000000, -0.0008086000000000 ] - [ -0.0001117200000000, -0.0002839300000000, -0.0008165500000000 ] - [ 0.0003016800000000, -0.0007733500000000, -0.0088752900000000 ] - [ -0.0000053600000000, 0.0001028200000000, 0.0000081300000000 ] - [ 0.0019350400000000, -0.0028389900000000, -0.0007395100000000 ] - [ -0.0001445000000000, 0.0008221200000000, -0.0004282500000000 ] - [ -0.0071467300000000, 0.0139604600000000, -0.0111100800000000 ] - [ 0.0002899000000000, -0.0010345100000000, 0.0006160000000000 ] - [ 0.0015337700000000, 0.0010027400000000, -0.0020593600000000 ] - [ 0.0002348100000000, 0.0002386200000000, 0.0003200000000000 ] - [ -0.0004151800000000, 0.0010558500000000, -0.0014665700000000 ] - [ 0.0002838200000000, -0.0013507700000000, -0.0020867400000000 ] - [ -0.0009925600000000, -0.0005585800000000, -0.0019673800000000 ] - [ -0.0004668400000000, -0.0005328500000000, -0.0004270100000000 ] - [ 0.0016602800000000, 0.0011091600000000, 0.0006744700000000 ] - [ 0.0008802600000000, -0.0011746600000000, 0.0004633400000000 ] - [ -0.0001398700000000, -0.0004179400000000, -0.0008045200000000 ] - [ 0.0000276800000000, 0.0013865900000000, -0.0013005800000000 ] - [ 0.0079224900000000, 0.0000893400000000, 0.0106781600000000 ] - [ -0.0001433900000000, 0.0003501600000000, 0.0002792800000000 ] - [ -0.0050577000000000, -0.0073487800000000, -0.0026923600000000 ] - [ -0.0004881500000000, -0.0002360900000000, 0.0012476100000000 ] - [ 0.0010127000000000, -0.0004140900000000, -0.0036022000000000 ] - [ 0.0004482500000000, -0.0001614600000000, -0.0016660700000000 ] - [ -0.0004395200000000, 0.0001026500000000, 0.0013823900000000 ] - [ 0.0019979400000000, -0.0039396000000000, 0.0031554000000000 ] - [ 0.0003221300000000, 0.0000928000000000, -0.0005740600000000 ] - [ -0.0000629600000000, 0.0004542300000000, 0.0002196900000000 ] - [ -0.0143642900000000, -0.0039779600000000, 0.0973145400000000 ] - [ 0.0000227800000000, 0.0004122700000000, 0.0012195900000000 ] - [ 0.0003853200000000, -0.0003832100000000, -0.0014152000000000 ] - [ 0.0003191600000000, 0.0009818300000000, -0.0014540400000000 ] - [ 0.0023972700000000, 0.0055357500000000, -0.0024478500000000 ] - [ 0.0002839100000000, -0.0011017500000000, -0.0004930500000000 ] - [ -0.0002013100000000, -0.0002922100000000, -0.0007952200000000 ] - [ -0.0002061700000000, -0.0002009700000000, 0.0002586300000000 ] - [ -0.0001636400000000, 0.0001781900000000, 0.0016712700000000 ] - [ 0.0015919400000000, 0.0032504600000000, 0.0028270300000000 ] - [ 0.0006687100000000, -0.0028273500000000, -0.0063882700000000 ] - [ 0.0002888700000000, -0.0001247400000000, -0.0003273300000000 ] - [ 0.0009403800000000, -0.0015443200000000, -0.0005639900000000 ] - [ 0.0005476000000000, 0.0010909000000000, -0.0001603200000000 ] - [ 0.0003697300000000, 0.0008774800000000, -0.0021358400000000 ] - [ -0.0000547100000000, -0.0000876700000000, -0.0005797000000000 ] - [ -0.0073816400000000, -0.0062183800000000, -0.0517442900000000 ] - [ -0.0003901500000000, -0.0001743700000000, 0.0001034900000000 ] - [ -0.0002357600000000, 0.0004538900000000, 0.0021887400000000 ] - [ -0.0005909800000000, -0.0004192700000000, 0.0010978400000000 ] - [ 0.0010501200000000, -0.0035631900000000, 0.0027161400000000 ] - [ 0.0002684400000000, 0.0011286200000000, 0.0000459100000000 ] - [ 0.0006897800000000, 0.0019444500000000, -0.0008279800000000 ] - [ -0.0005482300000000, -0.0014798700000000, 0.0004683200000000 ] - [ -0.0017371500000000, -0.0031719500000000, -0.0024256300000000 ] - [ -0.0011177200000000, 0.0024204300000000, -0.0005235300000000 ] - [ -0.0034746700000000, 0.0004860500000000, 0.0009901400000000 ] - [ -0.0003366900000000, -0.0004003800000000, 0.0002014700000000 ] - [ -0.0014883000000000, 0.0027140400000000, 0.0032128800000000 ] - [ -0.0006206200000000, -0.0012958100000000, 0.0006521200000000 ] - [ 0.0238061800000000, 0.0121163700000000, -0.0188207200000000 ] - [ 0.0000950700000000, -0.0003094400000000, -0.0004237400000000 ] - [ -0.0004265900000000, -0.0008815900000000, 0.0024225300000000 ] - [ 0.0001386600000000, 0.0006668900000000, 0.0009138100000000 ] - [ 0.0017003900000000, 0.0036220500000000, 0.0061441700000000 ] - [ 0.0004540100000000, -0.0004586200000000, 0.0001955500000000 ] - [ 0.0010751100000000, 0.0024388200000000, -0.0007965100000000 ] - [ 0.0047894000000000, -0.0048355500000000, -0.0078390300000000 ] - [ 0.0000836700000000, 0.0004126800000000, 0.0033422100000000 ] - [ 0.0003313300000000, 0.0001629200000000, 0.0009773400000000 ] - [ -0.0009408400000000, -0.0010020500000000, 0.0060293400000000 ] - [ 0.0000784400000000, 0.0003532700000000, 0.0008904100000000 ] - [ 0.0019964900000000, 0.0001027600000000, -0.0094384800000000 ] - [ 0.0004049600000000, 0.0006036800000000, -0.0032990600000000 ] - [ 0.0000544900000000, -0.0000207800000000, 0.0017279800000000 ] - [ 0.0000568700000000, -0.0001544800000000, 0.0025072300000000 ] - [ -0.0068062600000000, -0.0009516700000000, -0.0045688600000000 ] - [ 0.0001615400000000, 0.0002809200000000, -0.0008214700000000 ]- atom: 49 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.0021258900000000, -0.0006422800000000, 0.0002589500000000 ] - [ 0.0025378600000000, -0.0007834300000000, 0.0002578100000000 ] - [ 0.0069208200000000, 0.0003873800000000, -0.0036733600000000 ] - [ 0.0003671800000000, -0.0004270600000000, 0.0002731100000000 ] - [ -0.0005758600000000, 0.0001361500000000, -0.0006607500000000 ] - [ -0.0003782000000000, 0.0006907400000000, 0.0000977600000000 ] - [ 0.0000056700000000, 0.0005744600000000, -0.0002591800000000 ] - [ -0.0010569200000000, 0.0009676900000000, -0.0021012700000000 ] - [ 0.0000643200000000, 0.0015015100000000, -0.0002222200000000 ] - [ -0.0013858600000000, -0.0088722600000000, -0.0094477000000000 ] - [ 0.0061700600000000, -0.0067239900000000, 0.0027504100000000 ] - [ 0.0004640100000000, 0.0010566900000000, 0.0005807100000000 ] - [ -0.0003053600000000, 0.0000577600000000, -0.0001812000000000 ] - [ -0.0000984200000000, 0.0003716300000000, -0.0001436600000000 ] - [ 0.0001459700000000, 0.0001326600000000, -0.0000334000000000 ] - [ 0.0009150100000000, 0.0016931200000000, -0.0007015700000000 ] - [ -0.0001945600000000, 0.0129181000000000, -0.0052415000000000 ] - [ -0.0004764100000000, -0.0012328200000000, -0.0001697300000000 ] - [ 0.0002789900000000, 0.0000144900000000, 0.0006775400000000 ] - [ 0.0066114100000000, 0.0025331200000000, 0.0061477200000000 ] - [ 0.0001121900000000, 0.0004633300000000, 0.0006920200000000 ] - [ 0.0002520500000000, 0.0003900200000000, 0.0005552100000000 ] - [ 0.0010247200000000, -0.0006280700000000, -0.0022661600000000 ] - [ -0.0002468800000000, 0.0004156900000000, -0.0007225200000000 ] - [ -0.0001572300000000, -0.0003130000000000, -0.0001939500000000 ] - [ 0.0001454300000000, -0.0005283900000000, -0.0001558500000000 ] - [ 0.0022560300000000, 0.0027437100000000, 0.0029838800000000 ] - [ 0.0005753700000000, -0.0007425000000000, 0.0001847400000000 ] - [ 0.0004374300000000, 0.0001873100000000, 0.0000765100000000 ] - [ 0.0003054100000000, 0.0005721600000000, 0.0000963800000000 ] - [ -0.0017813900000000, -0.0010089400000000, 0.0008503500000000 ] - [ -0.0038349400000000, -0.0055198700000000, 0.0036835600000000 ] - [ -0.0002038400000000, -0.0002906300000000, 0.0006878600000000 ] - [ 0.0016813500000000, 0.0032201100000000, -0.0177221400000000 ] - [ 0.0000499200000000, -0.0002578100000000, -0.0010782300000000 ] - [ 0.0000579900000000, -0.0001643000000000, -0.0008676700000000 ] - [ 0.0051272700000000, 0.0000857100000000, -0.0005444100000000 ] - [ 0.0003337100000000, 0.0005173500000000, -0.0007213300000000 ] - [ 0.0004159500000000, 0.0006931900000000, -0.0004968100000000 ] - [ 0.0007235200000000, -0.0006420500000000, -0.0002514000000000 ] - [ -0.0002315500000000, -0.0000657900000000, 0.0005948200000000 ] - [ 0.0017601500000000, 0.0070030600000000, -0.0003549200000000 ] - [ -0.0013862000000000, 0.0005413700000000, -0.0020084500000000 ] - [ -0.0000865800000000, 0.0005277200000000, -0.0009068900000000 ] - [ 0.0014423600000000, -0.0006600800000000, -0.0008393600000000 ] - [ 0.0005758800000000, 0.0002919000000000, -0.0008501100000000 ] - [ -0.0002225500000000, -0.0001137400000000, 0.0004784300000000 ] - [ -0.0003197400000000, -0.0002102000000000, -0.0000503500000000 ] - [ -0.0816225400000000, -0.0486299900000000, 0.1066592900000000 ] - [ -0.0003602200000000, -0.0003515200000000, 0.0005931000000000 ] - [ -0.0006180100000000, -0.0004170200000000, 0.0002310100000000 ] - [ -0.0006188900000000, 0.0002198600000000, 0.0005635800000000 ] - [ 0.0002860300000000, 0.0003822700000000, -0.0001656200000000 ] - [ 0.0007776000000000, -0.0001718500000000, 0.0003073200000000 ] - [ 0.0000828200000000, 0.0000041200000000, -0.0004992100000000 ] - [ 0.0000271300000000, 0.0004162800000000, -0.0005012400000000 ] - [ -0.0003026100000000, 0.0024447300000000, -0.0003064700000000 ] - [ -0.0023672900000000, -0.0028086800000000, -0.0022778100000000 ] - [ -0.0003709800000000, -0.0002642000000000, 0.0006448300000000 ] - [ 0.0007785900000000, 0.0000053100000000, 0.0004367800000000 ] - [ 0.0000247400000000, 0.0009195800000000, -0.0001561700000000 ] - [ 0.0005372000000000, -0.0010387200000000, 0.0000659400000000 ] - [ 0.0372878400000000, 0.0073654000000000, -0.0412126500000000 ] - [ 0.0004409400000000, -0.0001902900000000, -0.0007007400000000 ] - [ -0.0052846700000000, 0.0006737100000000, -0.0020995600000000 ] - [ -0.0007844100000000, -0.0002266500000000, -0.0003005900000000 ] - [ -0.0032145100000000, -0.0029585900000000, 0.0009683100000000 ] - [ -0.0028438200000000, 0.0048246900000000, -0.0007094700000000 ] - [ 0.0009462100000000, -0.0002486700000000, -0.0000306000000000 ] - [ 0.0000464500000000, -0.0003619800000000, -0.0002594900000000 ] - [ 0.0001489600000000, 0.0002387900000000, -0.0001787000000000 ] - [ 0.0310070200000000, 0.0374915300000000, -0.0298757500000000 ] - [ 0.0008688100000000, 0.0003012800000000, -0.0000259500000000 ] - [ 0.0001350600000000, -0.0001934400000000, -0.0000007100000000 ] - [ 0.0000909900000000, 0.0000064600000000, 0.0003693400000000 ] - [ -0.0024230300000000, -0.0021920800000000, 0.0055495500000000 ] - [ -0.0133926600000000, 0.0011015400000000, -0.0030604400000000 ] - [ -0.0006049000000000, -0.0006486500000000, -0.0004085100000000 ] - [ 0.0000550200000000, -0.0001978500000000, 0.0010711100000000 ] - [ -0.0005614600000000, -0.0000431800000000, 0.0015205300000000 ] - [ 0.0004244800000000, -0.0002286900000000, 0.0002839500000000 ] - [ 0.0027400000000000, -0.0001420100000000, -0.0001089600000000 ] - [ 0.0109241900000000, -0.0053483700000000, -0.0081317000000000 ] - [ 0.0022534900000000, -0.0007947300000000, 0.0001753000000000 ] - [ -0.0008982000000000, 0.0001601800000000, 0.0025966600000000 ] - [ -0.0002870100000000, 0.0000519700000000, 0.0002657800000000 ] - [ -0.0004095200000000, -0.0008984000000000, 0.0000839900000000 ] - [ -0.0038603000000000, 0.0008869600000000, -0.0004377400000000 ]- atom: 49 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0019415800000000, -0.0004408400000000, -0.0005063700000000 ] - [ -0.0023461900000000, -0.0002857600000000, -0.0005015200000000 ] - [ -0.0071356600000000, -0.0014826100000000, 0.0039929300000000 ] - [ -0.0005439100000000, -0.0006491500000000, -0.0000301800000000 ] - [ 0.0004027600000000, 0.0009368800000000, 0.0009199400000000 ] - [ 0.0001978800000000, 0.0003832000000000, 0.0001497900000000 ] - [ 0.0001687400000000, 0.0005013900000000, 0.0000131100000000 ] - [ 0.0012308900000000, 0.0001104600000000, 0.0018538200000000 ] - [ 0.0000136400000000, -0.0019903800000000, 0.0003097100000000 ] - [ 0.0015417300000000, 0.0083601800000000, 0.0095244700000000 ] - [ -0.0061996500000000, 0.0061289900000000, -0.0028025700000000 ] - [ -0.0005368200000000, -0.0015302100000000, -0.0006663700000000 ] - [ 0.0002344300000000, 0.0004191400000000, 0.0000923100000000 ] - [ 0.0000255800000000, 0.0001064500000000, 0.0000556900000000 ] - [ -0.0000700000000000, 0.0003540900000000, 0.0001252600000000 ] - [ -0.0008404200000000, -0.0012119000000000, 0.0007893500000000 ] - [ -0.0002612600000000, -0.0135300600000000, 0.0041496500000000 ] - [ -0.0000461900000000, 0.0006190300000000, -0.0009220100000000 ] - [ 0.0002453700000000, -0.0006263700000000, 0.0004073600000000 ] - [ -0.0060357400000000, -0.0030828800000000, -0.0049731900000000 ] - [ 0.0004137500000000, 0.0001430900000000, 0.0003963700000000 ] - [ 0.0002732500000000, 0.0002211700000000, 0.0005363500000000 ] - [ -0.0015506700000000, 0.0012359500000000, 0.0011815100000000 ] - [ -0.0002733800000000, 0.0001864600000000, -0.0003685100000000 ] - [ -0.0004094800000000, -0.0005911200000000, 0.0001034800000000 ] - [ -0.0006970000000000, -0.0003619600000000, 0.0000745600000000 ] - [ -0.0016838100000000, -0.0036804300000000, -0.0029209900000000 ] - [ -0.0000056600000000, -0.0001647300000000, -0.0000947400000000 ] - [ 0.0001222300000000, 0.0007116200000000, 0.0000175900000000 ] - [ 0.0002494200000000, 0.0003212500000000, -0.0000101600000000 ] - [ 0.0012312300000000, 0.0019043700000000, -0.0009394700000000 ] - [ 0.0033111800000000, 0.0064019700000000, -0.0037686300000000 ] - [ -0.0001954500000000, -0.0002813200000000, 0.0007215300000000 ] - [ -0.0021491000000000, -0.0038085300000000, 0.0190461800000000 ] - [ 0.0003462700000000, -0.0003131200000000, -0.0003193500000000 ] - [ 0.0003383900000000, -0.0003972200000000, -0.0005352900000000 ] - [ -0.0047353700000000, 0.0004848500000000, -0.0008841700000000 ] - [ 0.0000632100000000, 0.0000506200000000, -0.0006820000000000 ] - [ -0.0008115200000000, -0.0001216600000000, 0.0019000800000000 ] - [ -0.0011149900000000, 0.0011981100000000, 0.0016532600000000 ] - [ -0.0001153900000000, 0.0006099700000000, 0.0008264700000000 ] - [ -0.0020730600000000, -0.0063724900000000, 0.0017691500000000 ] - [ 0.0017225800000000, 0.0000014800000000, 0.0005657500000000 ] - [ 0.0004228600000000, 0.0000092700000000, -0.0005259500000000 ] - [ -0.0011191200000000, 0.0001102500000000, -0.0006022000000000 ] - [ -0.0002432500000000, -0.0008324800000000, -0.0005847100000000 ] - [ -0.0001060300000000, -0.0004313000000000, 0.0009574000000000 ] - [ -0.0000179600000000, -0.0003244400000000, 0.0014816200000000 ] - [ 0.0819381200000000, 0.0484265300000000, -0.1079881200000000 ] - [ -0.0001214800000000, -0.0001718300000000, -0.0003009300000000 ] - [ 0.0010960500000000, -0.0001140300000000, -0.0005214300000000 ] - [ 0.0010965700000000, -0.0007310400000000, -0.0008498800000000 ] - [ 0.0002002000000000, 0.0001396600000000, -0.0001294900000000 ] - [ -0.0002918500000000, 0.0007023700000000, -0.0006151400000000 ] - [ -0.0005679000000000, 0.0005216300000000, 0.0007991400000000 ] - [ -0.0005079700000000, 0.0001020500000000, 0.0007912400000000 ] - [ -0.0005670400000000, -0.0022008300000000, 0.0012164500000000 ] - [ 0.0014890800000000, 0.0030094300000000, 0.0031821100000000 ] - [ -0.0005053000000000, 0.0000426800000000, 0.0002597400000000 ] - [ -0.0016583200000000, -0.0002315000000000, 0.0004729200000000 ] - [ 0.0008593100000000, -0.0011429200000000, -0.0007502100000000 ] - [ 0.0003413400000000, 0.0008156200000000, -0.0009739400000000 ] - [ -0.0366844300000000, -0.0075149700000000, 0.0418954600000000 ] - [ 0.0004354500000000, 0.0004154900000000, -0.0002035600000000 ] - [ 0.0046660800000000, -0.0003666100000000, 0.0017260000000000 ] - [ 0.0001549300000000, 0.0005058500000000, -0.0001290600000000 ] - [ 0.0032790800000000, 0.0028708500000000, -0.0006460000000000 ] - [ 0.0029030200000000, -0.0048851600000000, 0.0010076600000000 ] - [ -0.0015707700000000, -0.0000252200000000, -0.0004010100000000 ] - [ -0.0006845000000000, 0.0000840000000000, -0.0001775900000000 ] - [ 0.0004808200000000, -0.0005193300000000, 0.0006113900000000 ] - [ -0.0309535000000000, -0.0377290100000000, 0.0302786800000000 ] - [ -0.0009692200000000, -0.0002295100000000, -0.0002862500000000 ] - [ -0.0002353600000000, 0.0002668300000000, -0.0003132400000000 ] - [ -0.0000008500000000, 0.0000677700000000, -0.0000591800000000 ] - [ 0.0025058900000000, 0.0022757500000000, -0.0052718100000000 ] - [ 0.0132996600000000, -0.0011561900000000, 0.0027042500000000 ] - [ 0.0005133900000000, 0.0005704700000000, 0.0001024000000000 ] - [ 0.0005746100000000, 0.0004744000000000, -0.0006438200000000 ] - [ 0.0011927300000000, 0.0003103800000000, -0.0010845000000000 ] - [ -0.0001692600000000, 0.0001378800000000, -0.0002139300000000 ] - [ -0.0024686100000000, 0.0000508300000000, 0.0001713300000000 ] - [ -0.0112958000000000, 0.0053643500000000, 0.0081247900000000 ] - [ -0.0024899400000000, 0.0007167800000000, -0.0002414100000000 ] - [ 0.0006378400000000, -0.0000683000000000, -0.0026880500000000 ] - [ 0.0000325600000000, 0.0000404300000000, -0.0003365100000000 ] - [ 0.0006628000000000, 0.0009990200000000, -0.0000127300000000 ] - [ 0.0040858100000000, -0.0008238600000000, 0.0005179200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022644200000000, 0.0014870600000000, -0.0001026300000000 ] - [ -0.0008323600000000, -0.0000487000000000, 0.0009443900000000 ] - [ 0.0015388800000000, -0.0037725300000000, -0.0015498300000000 ] - [ 0.0001768300000000, 0.0010980100000000, 0.0003615300000000 ] - [ 0.0004414900000000, -0.0006196800000000, 0.0049041700000000 ] - [ 0.0000181900000000, 0.0015148700000000, -0.0011215400000000 ] - [ 0.0001181800000000, 0.0014080600000000, -0.0001348500000000 ] - [ -0.0003926900000000, -0.0002354600000000, -0.0010833100000000 ] - [ -0.0002731600000000, 0.0046939900000000, -0.0012250700000000 ] - [ -0.0056116000000000, 0.0069222600000000, 0.0163668800000000 ] - [ -0.0068586100000000, 0.0001928000000000, -0.0027792500000000 ] - [ 0.0008372500000000, 0.0033489400000000, 0.0011330700000000 ] - [ 0.0005092000000000, -0.0016733000000000, 0.0001547600000000 ] - [ -0.0003014800000000, 0.0017743700000000, -0.0003463700000000 ] - [ 0.0000990300000000, 0.0017102300000000, 0.0007726100000000 ] - [ 0.0000505300000000, -0.0001506300000000, -0.0014592700000000 ] - [ 0.0097561700000000, 0.0272070000000000, -0.0144726500000000 ] - [ -0.0003002900000000, 0.0028575800000000, 0.0006502800000000 ] - [ 0.0000580200000000, 0.0024305800000000, 0.0001463800000000 ] - [ 0.0038720000000000, -0.0038599800000000, 0.0034256400000000 ] - [ 0.0004785100000000, 0.0011230300000000, 0.0013664000000000 ] - [ 0.0000778300000000, 0.0004461100000000, -0.0011756000000000 ] - [ 0.0004971400000000, -0.0023649600000000, -0.0016465100000000 ] - [ -0.0004371600000000, 0.0020108400000000, -0.0006566200000000 ] - [ -0.0002575700000000, 0.0007340000000000, -0.0003463800000000 ] - [ -0.0000886500000000, -0.0014481600000000, 0.0001733300000000 ] - [ 0.0061116000000000, -0.0006226200000000, 0.0034920100000000 ] - [ -0.0017985800000000, 0.0030237600000000, -0.0006748900000000 ] - [ 0.0000281000000000, -0.0012559400000000, -0.0004694600000000 ] - [ 0.0002455600000000, 0.0017904900000000, 0.0001793600000000 ] - [ 0.0019849700000000, 0.0056484700000000, -0.0001818000000000 ] - [ -0.0068629600000000, 0.0175633600000000, -0.0102362900000000 ] - [ -0.0004219600000000, 0.0023980400000000, 0.0009820800000000 ] - [ 0.0036673300000000, -0.0053722400000000, -0.0086156000000000 ] - [ 0.0002810800000000, -0.0003264700000000, -0.0005273400000000 ] - [ 0.0002913100000000, 0.0002412100000000, -0.0010308600000000 ] - [ 0.0004276100000000, -0.0037669800000000, -0.0002866700000000 ] - [ -0.0000248800000000, 0.0027566500000000, -0.0004201100000000 ] - [ 0.0012817800000000, 0.0008072600000000, -0.0028206000000000 ] - [ -0.0012687300000000, 0.0020637600000000, 0.0029129400000000 ] - [ -0.0019473500000000, 0.0044940500000000, -0.0007030700000000 ] - [ 0.0064726200000000, 0.0068398700000000, 0.0001685400000000 ] - [ 0.0000154100000000, -0.0021233400000000, -0.0037357000000000 ] - [ 0.0000207100000000, 0.0022112200000000, -0.0006462600000000 ] - [ -0.0006145000000000, -0.0019780400000000, 0.0008894200000000 ] - [ 0.0003414000000000, 0.0016926600000000, -0.0015630200000000 ] - [ -0.0002033400000000, 0.0009635800000000, 0.0003044000000000 ] - [ -0.0002615700000000, -0.0016132600000000, 0.0013622100000000 ] - [ -0.0502410400000000, -0.2411362300000000, 0.1005422500000000 ] - [ -0.0003347500000000, 0.0038630400000000, 0.0003640500000000 ] - [ -0.0002308400000000, 0.0003946000000000, -0.0017982300000000 ] - [ 0.0003871200000000, 0.0003734700000000, 0.0010688700000000 ] - [ 0.0003619200000000, 0.0029416900000000, -0.0002976900000000 ] - [ -0.0001989500000000, -0.0033169200000000, -0.0001733300000000 ] - [ 0.0000196500000000, -0.0004750300000000, -0.0003164500000000 ] - [ -0.0003931700000000, 0.0010422800000000, 0.0000663600000000 ] - [ -0.0005614000000000, -0.0026237000000000, 0.0026387800000000 ] - [ -0.0018092000000000, -0.0013371800000000, -0.0049495600000000 ] - [ -0.0006281700000000, -0.0023625000000000, 0.0004799900000000 ] - [ 0.0002180000000000, 0.0026427900000000, 0.0010334800000000 ] - [ 0.0017317400000000, 0.0013828500000000, -0.0022408800000000 ] - [ 0.0001570900000000, -0.0017691100000000, 0.0007359100000000 ] - [ 0.0121979500000000, 0.0199369200000000, -0.0203940700000000 ] - [ 0.0002887600000000, -0.0048375300000000, -0.0012172000000000 ] - [ -0.0024220200000000, 0.0076316300000000, -0.0014755100000000 ] - [ 0.0004165900000000, -0.0043534300000000, -0.0001288700000000 ] - [ -0.0047417000000000, -0.0054916600000000, 0.0047485500000000 ] - [ 0.0027222600000000, -0.0056062000000000, -0.0020863700000000 ] - [ 0.0011728400000000, 0.0012994900000000, 0.0023065500000000 ] - [ -0.0003597800000000, -0.0024922000000000, -0.0008990500000000 ] - [ 0.0010142500000000, -0.0076226600000000, -0.0000230100000000 ] - [ 0.0359606200000000, 0.1335753300000000, -0.0812093400000000 ] - [ -0.0019235300000000, 0.0007192800000000, -0.0020441800000000 ] - [ 0.0002925100000000, -0.0017789200000000, 0.0014743800000000 ] - [ 0.0001527900000000, -0.0025346700000000, -0.0003460000000000 ] - [ -0.0011909200000000, 0.0011214600000000, 0.0047563600000000 ] - [ 0.0002682800000000, 0.0097075000000000, 0.0006639800000000 ] - [ -0.0004057200000000, -0.0043135700000000, -0.0007125700000000 ] - [ -0.0001762800000000, -0.0015350300000000, 0.0018628200000000 ] - [ 0.0011179700000000, 0.0008108000000000, -0.0011998600000000 ] - [ 0.0007237400000000, -0.0025715700000000, 0.0010118000000000 ] - [ -0.0011207000000000, 0.0030930300000000, -0.0016658300000000 ] - [ -0.0072822800000000, 0.0349892200000000, 0.0157330600000000 ] - [ -0.0014292200000000, -0.0103985700000000, 0.0003043000000000 ] - [ -0.0006428200000000, 0.0034052300000000, 0.0012119500000000 ] - [ -0.0000030800000000, -0.0027334000000000, -0.0000418100000000 ] - [ -0.0010205900000000, -0.0032509800000000, -0.0022692600000000 ] - [ 0.0047063600000000, 0.0013886100000000, 0.0038067400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020965600000000, -0.0025588500000000, -0.0001393400000000 ] - [ 0.0010309200000000, -0.0010444700000000, -0.0011606400000000 ] - [ -0.0016510800000000, 0.0027123100000000, 0.0017545300000000 ] - [ -0.0003476900000000, -0.0021763200000000, -0.0001106400000000 ] - [ -0.0006342200000000, 0.0017076700000000, -0.0047083700000000 ] - [ -0.0001893500000000, -0.0004366300000000, 0.0013610900000000 ] - [ 0.0000578700000000, -0.0003315200000000, -0.0001153100000000 ] - [ 0.0005670800000000, 0.0013100500000000, 0.0008216900000000 ] - [ 0.0003478000000000, -0.0051829700000000, 0.0013207600000000 ] - [ 0.0056533100000000, -0.0075094000000000, -0.0161681000000000 ] - [ 0.0068262200000000, -0.0006460100000000, 0.0027213900000000 ] - [ -0.0009069400000000, -0.0038253000000000, -0.0012071300000000 ] - [ -0.0005887700000000, 0.0021571300000000, -0.0002549400000000 ] - [ 0.0002202900000000, -0.0012858700000000, 0.0002491200000000 ] - [ -0.0000223500000000, -0.0012375900000000, -0.0006927100000000 ] - [ 0.0000213700000000, 0.0006217300000000, 0.0015330400000000 ] - [ -0.0104025000000000, -0.0281827200000000, 0.0136042100000000 ] - [ -0.0002318500000000, -0.0034878000000000, -0.0017140000000000 ] - [ 0.0004639900000000, -0.0030318300000000, 0.0009463600000000 ] - [ -0.0033688100000000, 0.0031950000000000, -0.0023360700000000 ] - [ 0.0000423000000000, -0.0005153000000000, -0.0002858800000000 ] - [ 0.0004379400000000, 0.0001490000000000, 0.0022530400000000 ] - [ -0.0010121300000000, 0.0029739400000000, 0.0005411100000000 ] - [ -0.0000858800000000, -0.0014022400000000, -0.0004342300000000 ] - [ -0.0002909200000000, -0.0016215500000000, 0.0002609400000000 ] - [ -0.0004809700000000, 0.0005378600000000, -0.0002701200000000 ] - [ -0.0055750500000000, -0.0002535100000000, -0.0034005000000000 ] - [ 0.0023529500000000, -0.0039190400000000, 0.0007622800000000 ] - [ 0.0005322200000000, 0.0021631300000000, 0.0005449700000000 ] - [ 0.0002987800000000, -0.0009077700000000, -0.0000963000000000 ] - [ -0.0025538800000000, -0.0047706600000000, 0.0001042200000000 ] - [ 0.0061022900000000, -0.0163558300000000, 0.0099486000000000 ] - [ 0.0000296900000000, -0.0029614400000000, 0.0004175200000000 ] - [ -0.0040305400000000, 0.0047180500000000, 0.0098811900000000 ] - [ 0.0001117800000000, -0.0002305100000000, -0.0008946600000000 ] - [ 0.0001105600000000, -0.0008115600000000, -0.0004005800000000 ] - [ -0.0000129700000000, 0.0043301300000000, -0.0010865100000000 ] - [ 0.0004192800000000, -0.0021823900000000, -0.0009809200000000 ] - [ -0.0016821700000000, -0.0002342200000000, 0.0042374000000000 ] - [ 0.0008898000000000, -0.0015169500000000, -0.0015300600000000 ] - [ 0.0016270000000000, -0.0039741900000000, 0.0021611000000000 ] - [ -0.0066479400000000, -0.0061219800000000, 0.0012427300000000 ] - [ 0.0003064800000000, 0.0026881100000000, 0.0022409500000000 ] - [ 0.0003208900000000, -0.0016825600000000, -0.0007846900000000 ] - [ 0.0009632600000000, 0.0014506100000000, -0.0023237900000000 ] - [ -0.0000114500000000, -0.0022306200000000, 0.0001201700000000 ] - [ -0.0001360400000000, -0.0014954300000000, 0.0011263300000000 ] - [ -0.0000693900000000, 0.0010655900000000, 0.0000623900000000 ] - [ 0.0469257500000000, 0.2369499800000000, -0.0938012300000000 ] - [ -0.0001479700000000, -0.0043860200000000, -0.0000597600000000 ] - [ 0.0007095500000000, -0.0009043700000000, 0.0015003400000000 ] - [ 0.0000867200000000, -0.0009064100000000, -0.0013554000000000 ] - [ 0.0001188200000000, -0.0024099200000000, -0.0000045400000000 ] - [ 0.0006769000000000, 0.0038322400000000, -0.0001185600000000 ] - [ -0.0004951100000000, 0.0009967900000000, 0.0006001500000000 ] - [ -0.0000869100000000, -0.0005214100000000, 0.0002221800000000 ] - [ -0.0003201400000000, 0.0028163400000000, -0.0017483500000000 ] - [ 0.0009075700000000, 0.0015888600000000, 0.0057864500000000 ] - [ -0.0002477000000000, 0.0021387800000000, 0.0004353000000000 ] - [ -0.0010890000000000, -0.0028605400000000, -0.0001140700000000 ] - [ -0.0008720800000000, -0.0016104300000000, 0.0013542600000000 ] - [ 0.0007177700000000, 0.0015456600000000, -0.0016284200000000 ] - [ -0.0112686800000000, -0.0194537300000000, 0.0194466500000000 ] - [ 0.0005880200000000, 0.0050633300000000, 0.0003017900000000 ] - [ 0.0017733200000000, -0.0073817600000000, 0.0010058000000000 ] - [ -0.0010414700000000, 0.0046221800000000, -0.0002982600000000 ] - [ 0.0047911200000000, 0.0053368200000000, -0.0044155100000000 ] - [ -0.0026643900000000, 0.0056072700000000, 0.0023512800000000 ] - [ -0.0017900100000000, -0.0016153500000000, -0.0027138500000000 ] - [ -0.0002710900000000, 0.0022277900000000, 0.0004738200000000 ] - [ -0.0003899300000000, 0.0073673100000000, 0.0004429200000000 ] - [ -0.0328466700000000, -0.1285754600000000, 0.0766202900000000 ] - [ 0.0018628100000000, -0.0006491700000000, 0.0017556500000000 ] - [ -0.0003771200000000, 0.0018501000000000, -0.0017678600000000 ] - [ -0.0000668100000000, 0.0026114100000000, 0.0006646500000000 ] - [ 0.0012832300000000, -0.0010452900000000, -0.0044454900000000 ] - [ -0.0003489900000000, -0.0097924000000000, -0.0009992600000000 ] - [ 0.0003184800000000, 0.0042371100000000, 0.0003940500000000 ] - [ 0.0008092500000000, 0.0017934800000000, -0.0014243200000000 ] - [ -0.0004877700000000, -0.0005264300000000, 0.0016499400000000 ] - [ -0.0004718300000000, 0.0024718400000000, -0.0009381400000000 ] - [ 0.0013897800000000, -0.0031611200000000, 0.0017834900000000 ] - [ 0.0074746700000000, -0.0367372900000000, -0.0170403800000000 ] - [ 0.0011833500000000, 0.0102593800000000, -0.0003787500000000 ] - [ 0.0003831300000000, -0.0033237400000000, -0.0012402500000000 ] - [ -0.0002492400000000, 0.0028328900000000, -0.0000234100000000 ] - [ 0.0012706300000000, 0.0033301600000000, 0.0023364300000000 ] - [ -0.0044425800000000, -0.0012741500000000, -0.0037312600000000 ]- atom: 49 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ -0.0025115500000000, -0.0017071300000000, -0.0016018200000000 ] - [ -0.0023188900000000, 0.0007720400000000, -0.0032031900000000 ] - [ -0.0080047500000000, -0.0021616600000000, 0.0034331900000000 ] - [ -0.0008167800000000, -0.0005806200000000, -0.0003464500000000 ] - [ 0.0009563000000000, 0.0018189300000000, 0.0026326700000000 ] - [ 0.0004236900000000, -0.0000805700000000, 0.0008928600000000 ] - [ 0.0002757300000000, 0.0005207200000000, 0.0006515200000000 ] - [ 0.0025623000000000, -0.0004070000000000, 0.0053213900000000 ] - [ 0.0001542400000000, -0.0033324500000000, 0.0003607200000000 ] - [ -0.0072073100000000, 0.0233142400000000, 0.0185642700000000 ] - [ -0.0016484800000000, 0.0003260200000000, -0.0041957000000000 ] - [ -0.0007448900000000, -0.0010354400000000, -0.0013958500000000 ] - [ 0.0004625300000000, 0.0005608700000000, 0.0017478700000000 ] - [ 0.0001360100000000, -0.0000128900000000, 0.0006585700000000 ] - [ -0.0000843300000000, 0.0008103800000000, 0.0005992700000000 ] - [ -0.0018499600000000, -0.0040219500000000, 0.0022038900000000 ] - [ -0.0047437400000000, -0.0241263300000000, 0.0034217600000000 ] - [ 0.0002511000000000, 0.0019094100000000, -0.0025710900000000 ] - [ 0.0002046200000000, -0.0008972500000000, -0.0001981400000000 ] - [ 0.0021332100000000, 0.0017843900000000, -0.0012544100000000 ] - [ 0.0004279000000000, 0.0005878400000000, 0.0012539600000000 ] - [ 0.0003576400000000, -0.0002785900000000, 0.0016583700000000 ] - [ -0.0031473600000000, 0.0025559700000000, 0.0049300800000000 ] - [ -0.0004188900000000, 0.0002437200000000, 0.0002033500000000 ] - [ -0.0003858800000000, -0.0006645100000000, 0.0005242900000000 ] - [ -0.0002546800000000, -0.0002425500000000, 0.0016672900000000 ] - [ 0.0025112100000000, 0.0004554200000000, -0.0010149200000000 ] - [ 0.0008546700000000, -0.0014824400000000, 0.0000073400000000 ] - [ 0.0011221300000000, 0.0002620100000000, 0.0014201500000000 ] - [ 0.0004083400000000, 0.0006226400000000, 0.0002652900000000 ] - [ 0.0021673400000000, 0.0033088500000000, -0.0019360000000000 ] - [ 0.0041812200000000, -0.0065456800000000, -0.0024540200000000 ] - [ -0.0002464900000000, -0.0004392600000000, 0.0009340400000000 ] - [ -0.0149205100000000, -0.0091806800000000, 0.0434067500000000 ] - [ 0.0002370900000000, -0.0009071800000000, 0.0017385600000000 ] - [ 0.0001367500000000, -0.0000756000000000, 0.0009785000000000 ] - [ -0.0022079100000000, 0.0006317700000000, -0.0046575200000000 ] - [ 0.0003076000000000, 0.0000773100000000, -0.0016762900000000 ] - [ -0.0013080300000000, -0.0008027400000000, 0.0030032400000000 ] - [ -0.0023747200000000, 0.0033731700000000, 0.0035790100000000 ] - [ -0.0017406200000000, 0.0018327100000000, -0.0015993300000000 ] - [ -0.0032749300000000, -0.0056845800000000, -0.0026306300000000 ] - [ 0.0015510600000000, -0.0023884700000000, 0.0065488400000000 ] - [ 0.0004079400000000, 0.0001211200000000, -0.0003869300000000 ] - [ -0.0012530000000000, 0.0007540400000000, -0.0006726100000000 ] - [ -0.0001001100000000, -0.0013038300000000, -0.0006796800000000 ] - [ 0.0000300400000000, -0.0005346700000000, 0.0016482000000000 ] - [ 0.0001137600000000, -0.0003945900000000, 0.0034671000000000 ] - [ 0.1344743000000000, 0.1074932600000000, -0.2783674700000000 ] - [ 0.0002152600000000, -0.0000409100000000, -0.0013836000000000 ] - [ 0.0012678300000000, -0.0012768400000000, -0.0000451600000000 ] - [ 0.0009755900000000, 0.0009927100000000, -0.0001915300000000 ] - [ 0.0002062200000000, 0.0000702400000000, 0.0002307100000000 ] - [ 0.0004083800000000, 0.0004454600000000, -0.0000722700000000 ] - [ -0.0009701100000000, 0.0007887400000000, 0.0021789900000000 ] - [ -0.0009411800000000, 0.0002621200000000, 0.0023795700000000 ] - [ -0.0000108200000000, 0.0009284100000000, 0.0023814300000000 ] - [ 0.0013080600000000, -0.0011528600000000, 0.0055219800000000 ] - [ -0.0004482500000000, -0.0001183700000000, -0.0006236900000000 ] - [ -0.0026029300000000, -0.0000177700000000, -0.0023261100000000 ] - [ 0.0014345700000000, -0.0026715200000000, -0.0023296200000000 ] - [ 0.0005395300000000, 0.0021699400000000, -0.0021944300000000 ] - [ -0.0586164700000000, -0.0167297900000000, 0.1006171000000000 ] - [ 0.0003418700000000, 0.0004078900000000, 0.0006476100000000 ] - [ 0.0012027600000000, 0.0001983400000000, 0.0024135900000000 ] - [ -0.0003880800000000, 0.0010678400000000, 0.0001529600000000 ] - [ 0.0044812500000000, 0.0050114800000000, -0.0014002900000000 ] - [ 0.0054637900000000, -0.0111695600000000, 0.0056567700000000 ] - [ -0.0037989100000000, 0.0035048900000000, -0.0033424600000000 ] - [ -0.0005993600000000, -0.0009947400000000, -0.0013157200000000 ] - [ 0.0005344100000000, -0.0014571500000000, 0.0013847700000000 ] - [ -0.0403987400000000, -0.0897615800000000, 0.0865112400000000 ] - [ -0.0015706200000000, -0.0008932700000000, -0.0034520300000000 ] - [ -0.0002776100000000, 0.0007627900000000, -0.0023227000000000 ] - [ -0.0001680900000000, -0.0002765200000000, -0.0008722700000000 ] - [ 0.0037203500000000, 0.0057837200000000, -0.0150994500000000 ] - [ 0.0054959400000000, 0.0000655100000000, 0.0072990600000000 ] - [ 0.0005222000000000, 0.0003759800000000, 0.0012522700000000 ] - [ 0.0007274500000000, 0.0008763300000000, -0.0021969500000000 ] - [ 0.0016935800000000, -0.0001013400000000, -0.0040560100000000 ] - [ -0.0003227200000000, 0.0007208900000000, -0.0009916300000000 ] - [ -0.0037020500000000, -0.0016681300000000, -0.0062860700000000 ] - [ -0.0124935700000000, 0.0155407100000000, 0.0287990900000000 ] - [ -0.0006224000000000, 0.0035065700000000, 0.0014770700000000 ] - [ 0.0016236000000000, 0.0005064200000000, -0.0067492400000000 ] - [ 0.0000516100000000, -0.0004952600000000, -0.0012969400000000 ] - [ 0.0001344100000000, -0.0005775500000000, 0.0012764500000000 ] - [ 0.0002983600000000, 0.0005680200000000, 0.0014872600000000 ]- atom: 49 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ 0.0026601800000000, 0.0006274200000000, 0.0013465500000000 ] - [ 0.0024801400000000, -0.0018472900000000, 0.0029345400000000 ] - [ 0.0077248200000000, 0.0010752000000000, -0.0031526100000000 ] - [ 0.0006357400000000, -0.0005008700000000, 0.0005828500000000 ] - [ -0.0011298500000000, -0.0007540800000000, -0.0023702000000000 ] - [ -0.0006088900000000, 0.0011557900000000, -0.0006391600000000 ] - [ -0.0000984400000000, 0.0005515900000000, -0.0008900300000000 ] - [ -0.0024087600000000, 0.0014969400000000, -0.0055938400000000 ] - [ -0.0000785900000000, 0.0028234800000000, -0.0002684600000000 ] - [ 0.0072175700000000, -0.0234753000000000, -0.0182414800000000 ] - [ 0.0015264800000000, -0.0007649100000000, 0.0040835100000000 ] - [ 0.0006632100000000, 0.0005407100000000, 0.0012962600000000 ] - [ -0.0005394600000000, -0.0000787500000000, -0.0018266400000000 ] - [ -0.0002032500000000, 0.0004803900000000, -0.0007413400000000 ] - [ 0.0001590300000000, -0.0003344500000000, -0.0005044000000000 ] - [ 0.0019464200000000, 0.0045487500000000, -0.0021112100000000 ] - [ 0.0042018100000000, 0.0232964700000000, -0.0044930100000000 ] - [ -0.0007690200000000, -0.0025115000000000, 0.0014663500000000 ] - [ 0.0003176500000000, 0.0002830700000000, 0.0012778500000000 ] - [ -0.0016529000000000, -0.0023977500000000, 0.0022741800000000 ] - [ 0.0000909700000000, 0.0000133500000000, -0.0001596900000000 ] - [ 0.0001697600000000, 0.0008928500000000, -0.0005547700000000 ] - [ 0.0026484300000000, -0.0019721000000000, -0.0060432400000000 ] - [ -0.0001037000000000, 0.0003575400000000, -0.0012822500000000 ] - [ -0.0001721700000000, -0.0002336800000000, -0.0006096500000000 ] - [ -0.0003090000000000, -0.0006505100000000, -0.0017573100000000 ] - [ -0.0019273000000000, -0.0013187300000000, 0.0011261600000000 ] - [ -0.0002816000000000, 0.0005651100000000, 0.0000835300000000 ] - [ -0.0005543500000000, 0.0006389900000000, -0.0013327800000000 ] - [ 0.0001320400000000, 0.0002563200000000, -0.0001825800000000 ] - [ -0.0027368000000000, -0.0024324300000000, 0.0018449600000000 ] - [ -0.0047270400000000, 0.0073358800000000, 0.0024511000000000 ] - [ -0.0001490000000000, -0.0001286200000000, 0.0004779400000000 ] - [ 0.0148057900000000, 0.0087364400000000, -0.0428515500000000 ] - [ 0.0001594500000000, 0.0003332300000000, -0.0031330400000000 ] - [ 0.0002581900000000, -0.0004636900000000, -0.0023821000000000 ] - [ 0.0026109300000000, -0.0000581700000000, 0.0032431200000000 ] - [ 0.0000887200000000, 0.0004750500000000, 0.0002649100000000 ] - [ 0.0009046100000000, 0.0013553500000000, -0.0015837100000000 ] - [ 0.0019673400000000, -0.0027852300000000, -0.0021630100000000 ] - [ 0.0014113200000000, -0.0012968800000000, 0.0030281000000000 ] - [ 0.0029108300000000, 0.0062182400000000, 0.0040805300000000 ] - [ -0.0012117700000000, 0.0029023100000000, -0.0078937900000000 ] - [ -0.0000639600000000, 0.0004017300000000, -0.0010469500000000 ] - [ 0.0015953400000000, -0.0012961000000000, -0.0007535100000000 ] - [ 0.0004357700000000, 0.0007629400000000, -0.0007437700000000 ] - [ -0.0003602500000000, -0.0000086900000000, -0.0002076000000000 ] - [ -0.0004445400000000, -0.0001406300000000, -0.0020223300000000 ] - [ -0.1318117900000000, -0.1097519500000000, 0.2740164900000000 ] - [ -0.0006903500000000, -0.0004924500000000, 0.0016648400000000 ] - [ -0.0007780700000000, 0.0007434800000000, -0.0002563200000000 ] - [ -0.0004879900000000, -0.0015027100000000, -0.0001076400000000 ] - [ 0.0002735600000000, 0.0004431600000000, -0.0005168800000000 ] - [ 0.0000798400000000, 0.0000840900000000, -0.0002060900000000 ] - [ 0.0004890100000000, -0.0002739800000000, -0.0018786400000000 ] - [ 0.0004621800000000, 0.0002664400000000, -0.0020819200000000 ] - [ -0.0008667500000000, -0.0007155300000000, -0.0014632900000000 ] - [ -0.0021703400000000, 0.0013986500000000, -0.0045785400000000 ] - [ -0.0004264500000000, -0.0000992900000000, 0.0015193500000000 ] - [ 0.0017412600000000, -0.0002161200000000, 0.0032085800000000 ] - [ -0.0005568000000000, 0.0024633600000000, 0.0014125400000000 ] - [ 0.0003424200000000, -0.0024042400000000, 0.0012787700000000 ] - [ 0.0554655000000000, 0.0150838100000000, -0.0945154000000000 ] - [ 0.0005347200000000, -0.0001722700000000, -0.0015405100000000 ] - [ -0.0018702300000000, 0.0000763200000000, -0.0028588300000000 ] - [ -0.0002495600000000, -0.0007741800000000, -0.0005813800000000 ] - [ -0.0043830400000000, -0.0050802700000000, 0.0017165400000000 ] - [ -0.0053637000000000, 0.0110691300000000, -0.0052874700000000 ] - [ 0.0031404900000000, -0.0037507800000000, 0.0029048500000000 ] - [ -0.0000436600000000, 0.0007157000000000, 0.0008933100000000 ] - [ 0.0000949700000000, 0.0011919200000000, -0.0009525400000000 ] - [ 0.0418456700000000, 0.0936841100000000, -0.0878074000000000 ] - [ 0.0014815000000000, 0.0009698100000000, 0.0031205700000000 ] - [ 0.0001881700000000, -0.0006870200000000, 0.0019908100000000 ] - [ 0.0002519700000000, 0.0003546700000000, 0.0011782700000000 ] - [ -0.0036454800000000, -0.0057451000000000, 0.0154281700000000 ] - [ -0.0054899300000000, -0.0001611300000000, -0.0075651400000000 ] - [ -0.0006059000000000, -0.0004365400000000, -0.0015541000000000 ] - [ -0.0000994400000000, -0.0005854600000000, 0.0026113100000000 ] - [ -0.0010606200000000, 0.0003695300000000, 0.0044670100000000 ] - [ 0.0005712500000000, -0.0008033800000000, 0.0010595700000000 ] - [ 0.0039270300000000, 0.0015556100000000, 0.0063656600000000 ] - [ 0.0122863000000000, -0.0163087500000000, -0.0291020500000000 ] - [ 0.0003850100000000, -0.0035344900000000, -0.0015439100000000 ] - [ -0.0018667000000000, -0.0004179100000000, 0.0066595400000000 ] - [ -0.0003000600000000, 0.0005858000000000, 0.0012222600000000 ] - [ 0.0001154400000000, 0.0006622000000000, -0.0011999700000000 ] - [ -0.0001013600000000, -0.0004789700000000, -0.0014468600000000 ]- atom: 57 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.1078503500000000, -0.0074726600000000, -0.0167337100000000 ] - [ 0.0000796400000000, -0.0005435800000000, -0.0001612000000000 ] - [ 0.0001594200000000, -0.0022591500000000, 0.0003401600000000 ] - [ 0.0018302400000000, 0.0004166000000000, -0.0003357300000000 ] - [ -0.0001923200000000, 0.0005908500000000, 0.0003404400000000 ] - [ -0.0001591900000000, 0.0004222100000000, 0.0000295300000000 ] - [ 0.0000073100000000, 0.0005774000000000, 0.0001309000000000 ] - [ 0.0001235500000000, 0.0006032300000000, 0.0000732900000000 ] - [ -0.0114118800000000, 0.0028432200000000, -0.0024859500000000 ] - [ -0.0003489000000000, -0.0001913400000000, -0.0001578300000000 ] - [ 0.0161882100000000, -0.0042305500000000, 0.0032507300000000 ] - [ 0.0004155100000000, -0.0003630300000000, -0.0005040600000000 ] - [ -0.0005069400000000, 0.0005538100000000, 0.0003899700000000 ] - [ -0.0003069600000000, 0.0005958200000000, 0.0000904300000000 ] - [ 0.0012834400000000, 0.0006367000000000, -0.0009890700000000 ] - [ 0.0001490700000000, 0.0003549900000000, 0.0000833400000000 ] - [ -0.0133265200000000, -0.0030840800000000, 0.0000866500000000 ] - [ -0.0005093800000000, -0.0005430000000000, -0.0004013800000000 ] - [ 0.0175984800000000, 0.0045750200000000, -0.0025478100000000 ] - [ 0.0005782900000000, -0.0002080500000000, 0.0002390600000000 ] - [ -0.0012350400000000, -0.0004229400000000, 0.0022495600000000 ] - [ 0.0001901100000000, 0.0003717800000000, 0.0006335900000000 ] - [ -0.0000165100000000, 0.0000713900000000, -0.0004560900000000 ] - [ 0.0001117800000000, 0.0002661200000000, -0.0008747300000000 ] - [ 0.0016785600000000, 0.0002176700000000, -0.0012544500000000 ] - [ 0.0002561400000000, -0.0003544400000000, 0.0000547100000000 ] - [ -0.0014596300000000, -0.0021257500000000, 0.0015459600000000 ] - [ -0.0002910100000000, -0.0000042100000000, 0.0000704100000000 ] - [ 0.0025322600000000, 0.0041971700000000, 0.0015097300000000 ] - [ 0.0007924700000000, -0.0002229700000000, 0.0002478300000000 ] - [ -0.0072962700000000, 0.0008415300000000, 0.0008686800000000 ] - [ -0.0004031700000000, 0.0003539800000000, -0.0000603700000000 ] - [ -0.0008874900000000, -0.0018465600000000, -0.0014572500000000 ] - [ -0.0000996700000000, -0.0000462400000000, 0.0006141900000000 ] - [ -0.0027298700000000, -0.0001265000000000, 0.0042162800000000 ] - [ 0.0000628400000000, -0.0001391100000000, -0.0005906400000000 ] - [ 0.0012392200000000, 0.0012781900000000, -0.0018606200000000 ] - [ 0.0021971400000000, 0.0026316500000000, 0.0003798500000000 ] - [ -0.0044060500000000, -0.0011602700000000, -0.0084805800000000 ] - [ -0.0002338500000000, 0.0004709500000000, 0.0006918800000000 ] - [ 0.0240962100000000, 0.0066547300000000, 0.0216657700000000 ] - [ -0.0001460100000000, 0.0001893200000000, 0.0006726700000000 ] - [ -0.0020453400000000, 0.0018812000000000, -0.0007681700000000 ] - [ -0.0004171500000000, 0.0004093300000000, -0.0013096700000000 ] - [ 0.0016329600000000, -0.0003253100000000, -0.0006465900000000 ] - [ 0.0006029700000000, 0.0002880900000000, -0.0002987400000000 ] - [ -0.0010658500000000, 0.0007104800000000, 0.0000081800000000 ] - [ -0.0003357700000000, -0.0002512500000000, 0.0007996500000000 ] - [ -0.0001189300000000, -0.0003900900000000, 0.0007056900000000 ] - [ -0.0021829600000000, -0.0016263500000000, 0.0011134500000000 ] - [ 0.0370726300000000, -0.0118101400000000, -0.0443263400000000 ] - [ 0.0002406900000000, -0.0001079500000000, -0.0002489100000000 ] - [ -0.0001770600000000, 0.0015643000000000, 0.0007584200000000 ] - [ 0.0003400900000000, -0.0000168700000000, 0.0000130900000000 ] - [ 0.0009832000000000, -0.0003927200000000, -0.0016772700000000 ] - [ -0.0001733400000000, 0.0004540600000000, 0.0001677700000000 ] - [ -0.2381315600000000, 0.0102815800000000, 0.0443515900000000 ] - [ -0.0005539700000000, 0.0000636900000000, 0.0005110800000000 ] - [ 0.0005371300000000, -0.0001848400000000, 0.0002036200000000 ] - [ -0.0003067700000000, -0.0002267200000000, 0.0001908400000000 ] - [ -0.0004355600000000, -0.0003233800000000, -0.0000503900000000 ] - [ 0.0002124600000000, -0.0000952600000000, -0.0006785000000000 ] - [ 0.0020781600000000, 0.0006155600000000, 0.0006931700000000 ] - [ 0.0020743300000000, -0.0019217300000000, -0.0013443100000000 ] - [ -0.0015033600000000, 0.0020374700000000, -0.0010233600000000 ] - [ -0.0000176000000000, -0.0012230300000000, -0.0013582000000000 ] - [ 0.0476860700000000, 0.0042471800000000, 0.0132419900000000 ] - [ 0.0003289500000000, -0.0000621400000000, 0.0001281800000000 ] - [ 0.0055032400000000, -0.0098143900000000, -0.0092842000000000 ] - [ 0.0000592600000000, 0.0000251600000000, -0.0001539400000000 ] - [ 0.0147662800000000, 0.0092774400000000, 0.0100955900000000 ] - [ 0.0004264500000000, -0.0000745600000000, 0.0001370600000000 ] - [ 0.0013425100000000, -0.0000641900000000, -0.0025704600000000 ] - [ 0.0002701400000000, -0.0001487200000000, -0.0002813000000000 ] - [ -0.0007554700000000, -0.0001241500000000, 0.0019198800000000 ] - [ -0.0002063400000000, 0.0000194200000000, 0.0000839100000000 ] - [ -0.0019033400000000, 0.0048268000000000, -0.0007506800000000 ] - [ -0.0046882500000000, -0.0070569700000000, 0.0022998600000000 ] - [ -0.0008269700000000, -0.0028629200000000, 0.0066478700000000 ] - [ 0.0002655400000000, -0.0000064700000000, 0.0002161600000000 ] - [ 0.0009733200000000, 0.0084001700000000, -0.0058418400000000 ] - [ 0.0002566000000000, -0.0013845600000000, -0.0000346800000000 ] - [ 0.0072489400000000, -0.0086786800000000, 0.0072924000000000 ] - [ -0.0000289500000000, 0.0008657600000000, 0.0002163200000000 ] - [ -0.0011633400000000, 0.0027185600000000, 0.0010427200000000 ] - [ -0.0003345400000000, -0.0010906900000000, 0.0004203800000000 ] - [ -0.0010810500000000, -0.0025755800000000, -0.0218432100000000 ] - [ 0.0000979500000000, -0.0002165000000000, 0.0001077600000000 ]- atom: 57 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0997992500000000, 0.0057895300000000, 0.0147672300000000 ] - [ 0.0001138700000000, -0.0005320300000000, -0.0000723100000000 ] - [ -0.0002949900000000, 0.0011536200000000, -0.0000980800000000 ] - [ -0.0019737400000000, -0.0014767500000000, 0.0005805500000000 ] - [ 0.0000161600000000, 0.0004885900000000, -0.0000930000000000 ] - [ -0.0000147700000000, 0.0006544800000000, 0.0002119600000000 ] - [ 0.0001790300000000, 0.0004970400000000, -0.0003685300000000 ] - [ 0.0000672600000000, 0.0004697400000000, -0.0003051300000000 ] - [ 0.0115337800000000, -0.0032683000000000, 0.0025587900000000 ] - [ 0.0004159900000000, -0.0002826100000000, 0.0002419100000000 ] - [ -0.0161707800000000, 0.0034564500000000, -0.0032815500000000 ] - [ -0.0004828200000000, -0.0001395900000000, 0.0004065300000000 ] - [ 0.0004281800000000, -0.0000680700000000, -0.0004791200000000 ] - [ 0.0002265000000000, -0.0001050000000000, -0.0001818900000000 ] - [ -0.0012117500000000, -0.0001689600000000, 0.0010583300000000 ] - [ -0.0000845100000000, 0.0001042100000000, -0.0000024500000000 ] - [ 0.0128915100000000, 0.0024098600000000, -0.0011638400000000 ] - [ -0.0000201500000000, -0.0000730200000000, -0.0006753500000000 ] - [ -0.0169795000000000, -0.0049505600000000, 0.0035807300000000 ] - [ -0.0000548600000000, -0.0003695200000000, 0.0008568500000000 ] - [ 0.0017476000000000, 0.0010244400000000, -0.0011522400000000 ] - [ 0.0003265200000000, 0.0002296700000000, 0.0004533500000000 ] - [ -0.0005128500000000, 0.0005481800000000, -0.0006258800000000 ] - [ -0.0006376100000000, 0.0003551100000000, -0.0002067200000000 ] - [ -0.0022156700000000, -0.0011035800000000, 0.0011636600000000 ] - [ -0.0008053100000000, -0.0005398100000000, -0.0001383900000000 ] - [ 0.0020258500000000, 0.0012156300000000, -0.0014413000000000 ] - [ 0.0008358800000000, -0.0008805600000000, 0.0000153200000000 ] - [ -0.0019633300000000, -0.0032853300000000, -0.0014089300000000 ] - [ -0.0002352500000000, 0.0011086500000000, -0.0001492900000000 ] - [ 0.0067180200000000, 0.0000674100000000, -0.0009462300000000 ] - [ -0.0001493000000000, 0.0005333800000000, -0.0000234000000000 ] - [ 0.0004884400000000, 0.0012688000000000, 0.0028333900000000 ] - [ -0.0002929900000000, -0.0005055400000000, 0.0007829900000000 ] - [ 0.0030965100000000, -0.0004337600000000, -0.0055593100000000 ] - [ 0.0003326700000000, -0.0004221100000000, -0.0008238000000000 ] - [ -0.0008212100000000, -0.0006940700000000, 0.0004391400000000 ] - [ -0.0017809500000000, -0.0020672800000000, -0.0017920400000000 ] - [ 0.0039879400000000, 0.0017134300000000, 0.0097882300000000 ] - [ -0.0001576000000000, 0.0000816200000000, 0.0007083300000000 ] - [ -0.0244762200000000, -0.0062649900000000, -0.0208817900000000 ] - [ -0.0001960300000000, 0.0003388200000000, 0.0007582700000000 ] - [ 0.0023563000000000, -0.0013444700000000, -0.0006822100000000 ] - [ 0.0007419200000000, 0.0001343200000000, -0.0001301000000000 ] - [ -0.0012962900000000, -0.0002128700000000, -0.0007965400000000 ] - [ -0.0002580900000000, -0.0008134600000000, -0.0011355000000000 ] - [ 0.0007245600000000, -0.0012370000000000, 0.0014105100000000 ] - [ -0.0000049000000000, -0.0002834800000000, 0.0006332100000000 ] - [ -0.0003809900000000, -0.0001422500000000, -0.0003942800000000 ] - [ 0.0016760200000000, 0.0011041200000000, -0.0007937000000000 ] - [ -0.0369006000000000, 0.0116520800000000, 0.0455641000000000 ] - [ 0.0002363700000000, -0.0004081900000000, -0.0000418700000000 ] - [ 0.0006570900000000, -0.0010452100000000, -0.0010531000000000 ] - [ 0.0001429900000000, 0.0005391400000000, -0.0003151300000000 ] - [ -0.0014548500000000, 0.0009081100000000, 0.0019552000000000 ] - [ -0.0003076600000000, 0.0000602600000000, 0.0001257100000000 ] - [ 0.2291769800000000, -0.0095307800000000, -0.0423218200000000 ] - [ -0.0003246300000000, 0.0001614000000000, 0.0003934200000000 ] - [ -0.0014061300000000, -0.0000412400000000, 0.0007082500000000 ] - [ -0.0005698400000000, 0.0000037000000000, 0.0007156200000000 ] - [ 0.0013075400000000, 0.0000970900000000, -0.0008412900000000 ] - [ 0.0006638300000000, -0.0001242400000000, -0.0002230300000000 ] - [ -0.0011848800000000, -0.0003130100000000, -0.0015752800000000 ] - [ -0.0011904700000000, 0.0020799800000000, 0.0004248100000000 ] - [ 0.0008538600000000, -0.0017523600000000, 0.0006047400000000 ] - [ -0.0006149500000000, 0.0014910100000000, 0.0009333100000000 ] - [ -0.0473598700000000, -0.0043704300000000, -0.0129901600000000 ] - [ -0.0002463900000000, -0.0000072600000000, 0.0001802400000000 ] - [ -0.0060720600000000, 0.0095093300000000, 0.0088826400000000 ] - [ -0.0006819400000000, -0.0002917800000000, -0.0002813500000000 ] - [ -0.0140813700000000, -0.0095864700000000, -0.0097806500000000 ] - [ 0.0002085600000000, -0.0001936600000000, 0.0002868500000000 ] - [ -0.0014208600000000, 0.0001304500000000, 0.0022481100000000 ] - [ -0.0003549200000000, 0.0002168900000000, -0.0000314000000000 ] - [ 0.0008454300000000, 0.0001963800000000, -0.0015911300000000 ] - [ 0.0002984700000000, 0.0000577100000000, 0.0002247600000000 ] - [ 0.0017284200000000, -0.0049134100000000, 0.0004238500000000 ] - [ 0.0045094200000000, 0.0070042000000000, -0.0026071300000000 ] - [ 0.0014231800000000, 0.0030977300000000, -0.0061479400000000 ] - [ 0.0003656700000000, 0.0002788200000000, 0.0002102000000000 ] - [ -0.0006567100000000, -0.0084820000000000, 0.0059262000000000 ] - [ 0.0000028900000000, 0.0012952900000000, 0.0000994800000000 ] - [ -0.0074610700000000, 0.0086209000000000, -0.0074854800000000 ] - [ -0.0002138900000000, -0.0009532600000000, -0.0002873300000000 ] - [ 0.0008975800000000, -0.0025984700000000, -0.0010978000000000 ] - [ 0.0000750500000000, 0.0011687000000000, -0.0004849200000000 ] - [ 0.0012994300000000, 0.0026537900000000, 0.0218371700000000 ] - [ 0.0001515400000000, 0.0003067000000000, -0.0000342100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0070251900000000, 0.0147104300000000, 0.0026019300000000 ] - [ -0.0000450500000000, -0.0039126500000000, -0.0000343600000000 ] - [ -0.0082570200000000, -0.0042607800000000, -0.0043087400000000 ] - [ 0.0086451800000000, -0.0048749500000000, 0.0023937700000000 ] - [ -0.0001056000000000, 0.0016385600000000, 0.0010254900000000 ] - [ -0.0001888800000000, -0.0004243500000000, -0.0003183100000000 ] - [ 0.0000039700000000, 0.0010655200000000, 0.0008760400000000 ] - [ 0.0002663500000000, -0.0002699200000000, -0.0003610800000000 ] - [ -0.0028265600000000, 0.0054775700000000, 0.0007018600000000 ] - [ 0.0000899900000000, -0.0045011600000000, -0.0001421000000000 ] - [ -0.0012293200000000, 0.0331810000000000, -0.0041635600000000 ] - [ -0.0007665200000000, -0.0110824400000000, -0.0024629800000000 ] - [ -0.0002232400000000, 0.0008451000000000, -0.0003387300000000 ] - [ 0.0002309200000000, -0.0007133000000000, 0.0002005500000000 ] - [ 0.0004415600000000, 0.0026662300000000, -0.0006180500000000 ] - [ -0.0002208400000000, -0.0019256800000000, 0.0001496900000000 ] - [ 0.0047516800000000, 0.0052648700000000, -0.0007528300000000 ] - [ -0.0003554700000000, -0.0043838400000000, -0.0005084800000000 ] - [ 0.0010158200000000, 0.0284423000000000, -0.0026385700000000 ] - [ 0.0011057600000000, -0.0112853000000000, -0.0018458800000000 ] - [ 0.0008035900000000, 0.0028453400000000, -0.0000539300000000 ] - [ -0.0000841700000000, -0.0017453200000000, 0.0007646300000000 ] - [ -0.0000844500000000, -0.0001275800000000, -0.0007784700000000 ] - [ -0.0003026900000000, 0.0000256100000000, -0.0001809400000000 ] - [ 0.0014859100000000, 0.0020578700000000, 0.0028472000000000 ] - [ -0.0010456900000000, -0.0024232000000000, -0.0008437700000000 ] - [ 0.0003588000000000, 0.0017677700000000, 0.0015433500000000 ] - [ 0.0007171300000000, -0.0033327000000000, -0.0010615500000000 ] - [ 0.0012035200000000, -0.0006166900000000, -0.0040543000000000 ] - [ -0.0005005400000000, -0.0027362900000000, 0.0038709500000000 ] - [ -0.0023173500000000, 0.0041486000000000, -0.0008827500000000 ] - [ -0.0003210100000000, -0.0025008600000000, 0.0003443100000000 ] - [ -0.0002089600000000, 0.0002274600000000, -0.0005742800000000 ] - [ 0.0000103600000000, -0.0015864300000000, 0.0019172700000000 ] - [ 0.0010559500000000, 0.0021049600000000, -0.0025738300000000 ] - [ -0.0001881000000000, -0.0025495800000000, -0.0003508700000000 ] - [ -0.0048495300000000, -0.0072565800000000, 0.0078116100000000 ] - [ 0.0044754500000000, -0.0024878000000000, -0.0097768300000000 ] - [ -0.0006411400000000, 0.0043127100000000, 0.0002275000000000 ] - [ -0.0002220700000000, -0.0022588200000000, 0.0009328800000000 ] - [ 0.0047897300000000, 0.0203791000000000, 0.0108671900000000 ] - [ -0.0003373400000000, -0.0039624000000000, 0.0009502400000000 ] - [ 0.0005059100000000, 0.0003532500000000, -0.0023386700000000 ] - [ -0.0002027800000000, -0.0015406600000000, 0.0011664600000000 ] - [ 0.0003061000000000, 0.0027096400000000, 0.0032509100000000 ] - [ -0.0001244000000000, -0.0027941400000000, -0.0022622300000000 ] - [ -0.0004238500000000, 0.0012984000000000, 0.0012158900000000 ] - [ -0.0000385200000000, -0.0017887600000000, 0.0004378800000000 ] - [ 0.0020841200000000, -0.0029786000000000, 0.0022921900000000 ] - [ -0.0031421400000000, -0.0017291000000000, -0.0028098500000000 ] - [ -0.0070777300000000, 0.0192961400000000, 0.0136660200000000 ] - [ 0.0005434500000000, -0.0052139000000000, -0.0003194100000000 ] - [ 0.0012694200000000, 0.0017506900000000, -0.0024972900000000 ] - [ -0.0006891100000000, -0.0013923400000000, 0.0019492600000000 ] - [ -0.0003615300000000, 0.0030184900000000, -0.0000233700000000 ] - [ -0.0000853600000000, -0.0019921300000000, 0.0002360600000000 ] - [ 0.0100193900000000, -0.1378243700000000, -0.0236374500000000 ] - [ -0.0004864700000000, 0.0112261300000000, -0.0015074700000000 ] - [ -0.0003646300000000, -0.0014825800000000, 0.0007545500000000 ] - [ -0.0003229500000000, 0.0015092900000000, -0.0000474800000000 ] - [ 0.0002258200000000, -0.0032335900000000, -0.0015059400000000 ] - [ 0.0004521200000000, 0.0023766000000000, 0.0000144200000000 ] - [ 0.0024512300000000, 0.0019587600000000, -0.0001784400000000 ] - [ -0.0000192700000000, 0.0019750300000000, -0.0009506600000000 ] - [ 0.0032297400000000, -0.0009321200000000, -0.0085813700000000 ] - [ -0.0019271900000000, 0.0043896400000000, 0.0061169700000000 ] - [ -0.0008104800000000, -0.0120604300000000, 0.0001527500000000 ] - [ 0.0001871900000000, 0.0062944400000000, -0.0002013600000000 ] - [ -0.0079741500000000, 0.0006871300000000, 0.0133515800000000 ] - [ 0.0011534400000000, 0.0063444300000000, -0.0013713800000000 ] - [ 0.0102975900000000, 0.0004321200000000, 0.0123402500000000 ] - [ -0.0001834100000000, 0.0057109200000000, -0.0022332000000000 ] - [ -0.0009023400000000, -0.0024364200000000, 0.0004772800000000 ] - [ 0.0004082600000000, 0.0023707200000000, -0.0003736500000000 ] - [ -0.0003712700000000, -0.0013482500000000, 0.0008495300000000 ] - [ 0.0003416700000000, 0.0021515600000000, -0.0004713500000000 ] - [ 0.0138675100000000, 0.0322242600000000, 0.0033036900000000 ] - [ -0.0158766900000000, 0.0306106800000000, 0.0098832600000000 ] - [ -0.0012982000000000, -0.0061939600000000, 0.0004218700000000 ] - [ 0.0007701700000000, 0.0040656800000000, 0.0003188300000000 ] - [ 0.0083627700000000, -0.0083143600000000, -0.0168026600000000 ] - [ -0.0012970800000000, 0.0052181800000000, 0.0031232100000000 ] - [ -0.0108348900000000, -0.0073645900000000, -0.0127107800000000 ] - [ 0.0010842200000000, 0.0052232900000000, 0.0024125200000000 ] - [ 0.0015766400000000, -0.0001906100000000, 0.0050436600000000 ] - [ -0.0017222400000000, 0.0022013400000000, -0.0045244100000000 ] - [ -0.0021582200000000, -0.0114121900000000, 0.0029551400000000 ] - [ 0.0004531800000000, 0.0068839100000000, -0.0007870800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064219300000000, -0.0156632300000000, -0.0027085700000000 ] - [ 0.0002141200000000, 0.0028337200000000, -0.0002096300000000 ] - [ 0.0080301700000000, 0.0031590400000000, 0.0045350100000000 ] - [ -0.0088489200000000, 0.0038184600000000, -0.0021630900000000 ] - [ -0.0000686500000000, -0.0005553700000000, -0.0007772600000000 ] - [ 0.0000179900000000, 0.0014988500000000, 0.0005649800000000 ] - [ 0.0001644900000000, 0.0000075100000000, -0.0011255300000000 ] - [ -0.0000964400000000, 0.0013501200000000, 0.0001148800000000 ] - [ 0.0029358500000000, -0.0060123500000000, -0.0005987900000000 ] - [ -0.0000132700000000, 0.0040065500000000, 0.0002315700000000 ] - [ 0.0009669800000000, -0.0297706700000000, 0.0031615300000000 ] - [ 0.0006883000000000, 0.0105843300000000, 0.0023489400000000 ] - [ 0.0001400800000000, -0.0003490500000000, 0.0002499300000000 ] - [ -0.0003117800000000, 0.0011944900000000, -0.0002893100000000 ] - [ -0.0003587400000000, -0.0021802600000000, 0.0006969700000000 ] - [ 0.0003012900000000, 0.0024148300000000, -0.0000567800000000 ] - [ -0.0052402500000000, -0.0058031400000000, -0.0003419600000000 ] - [ -0.0001677300000000, 0.0037870600000000, -0.0005786200000000 ] - [ -0.0008338100000000, -0.0327647000000000, 0.0047109400000000 ] - [ -0.0005851100000000, 0.0106903900000000, 0.0029489000000000 ] - [ -0.0002825900000000, -0.0022439900000000, 0.0011381700000000 ] - [ 0.0006035800000000, 0.0023446100000000, 0.0003241500000000 ] - [ -0.0004346600000000, 0.0007300900000000, -0.0003086400000000 ] - [ -0.0002125000000000, 0.0005641100000000, -0.0009074600000000 ] - [ -0.0020559500000000, -0.0029797300000000, -0.0029505500000000 ] - [ 0.0004871300000000, 0.0015302300000000, 0.0007507900000000 ] - [ 0.0002031500000000, -0.0026575200000000, -0.0014503000000000 ] - [ -0.0001581200000000, 0.0024358700000000, 0.0011593500000000 ] - [ -0.0006248500000000, 0.0015322600000000, 0.0041253500000000 ] - [ 0.0010664700000000, 0.0036213100000000, -0.0037754300000000 ] - [ 0.0017317400000000, -0.0032598300000000, 0.0007792900000000 ] - [ -0.0002403600000000, 0.0033979000000000, -0.0004340500000000 ] - [ -0.0001895200000000, -0.0008211600000000, 0.0019786500000000 ] - [ -0.0004056300000000, 0.0010238000000000, -0.0005019400000000 ] - [ -0.0006709400000000, -0.0026641300000000, 0.0012105500000000 ] - [ 0.0005861100000000, 0.0019803100000000, -0.0010645600000000 ] - [ 0.0052620500000000, 0.0078246100000000, -0.0092156900000000 ] - [ -0.0041138500000000, 0.0030846600000000, 0.0084436200000000 ] - [ 0.0002509400000000, -0.0037283400000000, 0.0012049100000000 ] - [ -0.0001759400000000, 0.0028286000000000, 0.0004762000000000 ] - [ -0.0050024100000000, -0.0196850700000000, -0.0091924600000000 ] - [ 0.0000100400000000, 0.0045023000000000, 0.0004868700000000 ] - [ -0.0001849200000000, 0.0002142100000000, 0.0009033300000000 ] - [ 0.0005307000000000, 0.0020714600000000, -0.0026016900000000 ] - [ 0.0000230700000000, -0.0032380900000000, -0.0046672800000000 ] - [ 0.0004564800000000, 0.0022553800000000, 0.0008367400000000 ] - [ 0.0000987000000000, -0.0018499500000000, 0.0002209400000000 ] - [ -0.0002933300000000, 0.0012535300000000, 0.0009937000000000 ] - [ -0.0025638900000000, 0.0024614000000000, -0.0019916800000000 ] - [ 0.0026728900000000, 0.0011958500000000, 0.0031126600000000 ] - [ 0.0078100900000000, -0.0201028100000000, -0.0144052800000000 ] - [ -0.0000610700000000, 0.0046906800000000, 0.0000217600000000 ] - [ -0.0007926200000000, -0.0012415400000000, 0.0022176400000000 ] - [ 0.0011689900000000, 0.0019216800000000, -0.0022407500000000 ] - [ -0.0001249400000000, -0.0024843400000000, 0.0003238900000000 ] - [ -0.0003926800000000, 0.0025085400000000, 0.0000534200000000 ] - [ -0.0097875200000000, 0.1378743400000000, 0.0244551700000000 ] - [ -0.0003906600000000, -0.0110000500000000, 0.0024101400000000 ] - [ -0.0005076700000000, 0.0012695400000000, 0.0001441100000000 ] - [ -0.0005527700000000, -0.0017389400000000, 0.0009494500000000 ] - [ 0.0006472600000000, 0.0029975100000000, 0.0005982100000000 ] - [ 0.0004231600000000, -0.0025947300000000, -0.0009213000000000 ] - [ -0.0015489700000000, -0.0017525300000000, -0.0007268200000000 ] - [ 0.0009094600000000, -0.0017345100000000, 0.0000548900000000 ] - [ -0.0038393600000000, 0.0012066500000000, 0.0081290700000000 ] - [ 0.0013034400000000, -0.0041245400000000, -0.0065961500000000 ] - [ 0.0008585200000000, 0.0119653300000000, 0.0001418400000000 ] - [ -0.0001036700000000, -0.0063660400000000, 0.0005126300000000 ] - [ 0.0073058100000000, -0.0010571600000000, -0.0137367500000000 ] - [ -0.0017755600000000, -0.0066106900000000, 0.0009500600000000 ] - [ -0.0096922500000000, -0.0006086700000000, -0.0119700900000000 ] - [ 0.0008056500000000, -0.0059927900000000, 0.0026516300000000 ] - [ 0.0008183600000000, 0.0024950000000000, -0.0007987100000000 ] - [ -0.0004881200000000, -0.0022917400000000, 0.0000643400000000 ] - [ 0.0004498700000000, 0.0014342400000000, -0.0005296900000000 ] - [ -0.0002546200000000, -0.0020771400000000, 0.0007737100000000 ] - [ -0.0139524800000000, -0.0319859600000000, -0.0036875100000000 ] - [ 0.0158309700000000, -0.0310434200000000, -0.0101371700000000 ] - [ 0.0019239100000000, 0.0064912100000000, -0.0000178900000000 ] - [ -0.0001492500000000, -0.0037902700000000, 0.0001098500000000 ] - [ -0.0081475300000000, 0.0082929000000000, 0.0169357600000000 ] - [ 0.0015421800000000, -0.0053074900000000, -0.0030415100000000 ] - [ 0.0105324100000000, 0.0072032300000000, 0.0125957500000000 ] - [ -0.0013317900000000, -0.0053104800000000, -0.0024929700000000 ] - [ -0.0018159200000000, 0.0002626200000000, -0.0050954100000000 ] - [ 0.0014722900000000, -0.0021036900000000, 0.0044678000000000 ] - [ 0.0023799000000000, 0.0115294800000000, -0.0028144100000000 ] - [ -0.0002028600000000, -0.0067946500000000, 0.0008536700000000 ]- atom: 57 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ -0.0634987500000000, 0.0045759900000000, 0.0293693400000000 ] - [ 0.0002070500000000, -0.0001973100000000, 0.0005718500000000 ] - [ 0.0018776100000000, 0.0003190900000000, 0.0030710600000000 ] - [ -0.0028165000000000, 0.0001224900000000, 0.0017312100000000 ] - [ -0.0012632400000000, 0.0006449300000000, -0.0038689500000000 ] - [ -0.0004236900000000, 0.0001705900000000, -0.0009299300000000 ] - [ -0.0009573200000000, 0.0009161800000000, -0.0043861600000000 ] - [ -0.0002021100000000, 0.0003228800000000, -0.0014005300000000 ] - [ 0.0095794500000000, -0.0010195000000000, 0.0060960800000000 ] - [ 0.0004958600000000, -0.0008597700000000, 0.0013958300000000 ] - [ -0.0046542100000000, -0.0039427100000000, 0.0164383100000000 ] - [ -0.0001525800000000, 0.0024863100000000, 0.0023009400000000 ] - [ 0.0004390300000000, -0.0008205800000000, -0.0022965700000000 ] - [ -0.0000246200000000, 0.0002575100000000, -0.0013788900000000 ] - [ -0.0007894400000000, -0.0000986100000000, -0.0038882100000000 ] - [ -0.0000485200000000, 0.0002181900000000, -0.0007216200000000 ] - [ 0.0074418700000000, 0.0018250900000000, 0.0048897800000000 ] - [ -0.0006139400000000, -0.0008984900000000, 0.0008853800000000 ] - [ -0.0095872800000000, -0.0072598900000000, 0.0206246700000000 ] - [ -0.0001668900000000, 0.0025528500000000, 0.0027612000000000 ] - [ 0.0022444800000000, 0.0015442600000000, -0.0045657300000000 ] - [ 0.0004153500000000, 0.0003683700000000, -0.0003753000000000 ] - [ -0.0002901600000000, 0.0004230500000000, -0.0026693300000000 ] - [ 0.0000469200000000, -0.0000699500000000, -0.0027110200000000 ] - [ -0.0039837500000000, 0.0017297500000000, -0.0033308900000000 ] - [ -0.0010250300000000, -0.0014500000000000, -0.0003638800000000 ] - [ 0.0005257900000000, 0.0020258200000000, -0.0016076500000000 ] - [ 0.0007001700000000, -0.0015203100000000, -0.0002503600000000 ] - [ -0.0029600500000000, -0.0086876800000000, -0.0030819900000000 ] - [ -0.0006871500000000, 0.0030603400000000, -0.0002220400000000 ] - [ -0.0056399900000000, 0.0005804700000000, -0.0020791800000000 ] - [ -0.0003944500000000, 0.0006189100000000, 0.0000833100000000 ] - [ -0.0006787300000000, -0.0039210800000000, -0.0043550300000000 ] - [ 0.0000822500000000, 0.0009280000000000, -0.0006238900000000 ] - [ 0.0045966300000000, -0.0013337700000000, -0.0133240900000000 ] - [ 0.0005679800000000, -0.0002643200000000, -0.0018320900000000 ] - [ 0.0000266000000000, 0.0012285800000000, -0.0000731700000000 ] - [ -0.0006229000000000, -0.0040124000000000, 0.0019963500000000 ] - [ -0.0003574000000000, 0.0012484200000000, 0.0070256000000000 ] - [ -0.0003695900000000, 0.0004723800000000, 0.0013403700000000 ] - [ 0.0073390000000000, 0.0076438200000000, 0.0531351800000000 ] - [ 0.0002517400000000, 0.0008819400000000, 0.0013098000000000 ] - [ 0.0048102700000000, -0.0058081900000000, 0.0002924800000000 ] - [ 0.0014799300000000, 0.0017418700000000, 0.0004846900000000 ] - [ -0.0000383100000000, 0.0020559300000000, -0.0036672900000000 ] - [ -0.0001495300000000, -0.0012617800000000, -0.0014725300000000 ] - [ -0.0001555100000000, 0.0000455600000000, -0.0009069300000000 ] - [ -0.0001805400000000, -0.0008410600000000, -0.0000150500000000 ] - [ -0.0009824900000000, 0.0017440700000000, 0.0014619400000000 ] - [ -0.0017708800000000, -0.0043861200000000, 0.0034890600000000 ] - [ -0.0558094600000000, 0.0238095600000000, 0.1024994100000000 ] - [ 0.0000172400000000, 0.0003510300000000, 0.0008847400000000 ] - [ 0.0006982800000000, -0.0019285200000000, -0.0023012800000000 ] - [ 0.0006561500000000, 0.0014337800000000, -0.0017223900000000 ] - [ -0.0008228900000000, 0.0000506200000000, -0.0017872800000000 ] - [ -0.0001029700000000, 0.0001502500000000, -0.0008437900000000 ] - [ 0.1474682100000000, -0.0262342200000000, -0.2543487100000000 ] - [ -0.0003334100000000, -0.0016029000000000, -0.0003001700000000 ] - [ -0.0011120600000000, -0.0003509400000000, 0.0043643500000000 ] - [ -0.0007326400000000, 0.0003829100000000, 0.0025207200000000 ] - [ 0.0011868400000000, -0.0009464900000000, 0.0044673200000000 ] - [ 0.0003405500000000, 0.0002956300000000, 0.0011784500000000 ] - [ -0.0011038800000000, 0.0003465100000000, -0.0057915000000000 ] - [ 0.0006908200000000, 0.0007900300000000, -0.0048519800000000 ] - [ -0.0005000100000000, -0.0043053700000000, 0.0016972000000000 ] - [ -0.0006403400000000, 0.0027845000000000, 0.0015408500000000 ] - [ -0.0230528900000000, -0.0026910200000000, -0.0175716100000000 ] - [ -0.0000806500000000, 0.0000215500000000, -0.0012604900000000 ] - [ -0.0116398000000000, 0.0239407300000000, 0.0202987200000000 ] - [ -0.0013017500000000, -0.0024503100000000, -0.0001961500000000 ] - [ 0.0111432600000000, 0.0144898500000000, 0.0015896500000000 ] - [ 0.0000081500000000, -0.0016114700000000, 0.0002816300000000 ] - [ -0.0016121300000000, 0.0007827700000000, 0.0090934100000000 ] - [ 0.0001072500000000, 0.0001487300000000, 0.0017937200000000 ] - [ 0.0008460100000000, 0.0005456900000000, 0.0071109600000000 ] - [ 0.0002789900000000, -0.0000286100000000, 0.0026065300000000 ] - [ -0.0024172500000000, -0.0050292900000000, -0.0042747400000000 ] - [ 0.0065444900000000, 0.0021742200000000, -0.0103279800000000 ] - [ 0.0041885000000000, 0.0018578500000000, 0.0025810100000000 ] - [ 0.0005573800000000, 0.0006977400000000, 0.0005748700000000 ] - [ -0.0073979200000000, -0.0208421600000000, 0.0155564400000000 ] - [ 0.0001419000000000, 0.0039893700000000, -0.0005402500000000 ] - [ 0.0059559100000000, -0.0097944300000000, 0.0021694300000000 ] - [ -0.0007071500000000, 0.0023301800000000, -0.0008760000000000 ] - [ 0.0019446300000000, 0.0013529500000000, 0.0014225200000000 ] - [ 0.0009368700000000, -0.0019852100000000, 0.0013757300000000 ] - [ -0.0122504900000000, 0.0032521800000000, 0.0269284400000000 ] - [ 0.0002638700000000, -0.0002778000000000, 0.0001021300000000 ]- atom: 57 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ 0.0666000400000000, -0.0058803700000000, -0.0297156300000000 ] - [ -0.0000227800000000, -0.0008777200000000, -0.0008132100000000 ] - [ -0.0020273000000000, -0.0013871600000000, -0.0028110000000000 ] - [ 0.0026628700000000, -0.0012043000000000, -0.0014876300000000 ] - [ 0.0010928300000000, 0.0004332600000000, 0.0041150400000000 ] - [ 0.0002517300000000, 0.0009085900000000, 0.0011739500000000 ] - [ 0.0011306300000000, 0.0001616700000000, 0.0041334500000000 ] - [ 0.0003838600000000, 0.0007494900000000, 0.0011591500000000 ] - [ -0.0094608600000000, 0.0005500500000000, -0.0059818600000000 ] - [ -0.0004225000000000, 0.0003869400000000, -0.0013046300000000 ] - [ 0.0045612200000000, 0.0032794000000000, -0.0164363400000000 ] - [ 0.0000822800000000, -0.0029834700000000, -0.0024021300000000 ] - [ -0.0005170000000000, 0.0013032400000000, 0.0022094300000000 ] - [ -0.0000568000000000, 0.0002364700000000, 0.0012891400000000 ] - [ 0.0008737900000000, 0.0005813300000000, 0.0039738200000000 ] - [ 0.0001195500000000, 0.0002551000000000, 0.0008047700000000 ] - [ -0.0079363500000000, -0.0024240100000000, -0.0059462600000000 ] - [ 0.0000903700000000, 0.0002872200000000, -0.0019678700000000 ] - [ 0.0100985100000000, 0.0065615600000000, -0.0195352800000000 ] - [ 0.0006881500000000, -0.0031363500000000, -0.0016607900000000 ] - [ -0.0017373300000000, -0.0009479200000000, 0.0056733500000000 ] - [ 0.0001015800000000, 0.0002343300000000, 0.0014637700000000 ] - [ -0.0002351300000000, 0.0001836400000000, 0.0015856800000000 ] - [ -0.0005680300000000, 0.0006836500000000, 0.0016255400000000 ] - [ 0.0034043000000000, -0.0026075500000000, 0.0032323600000000 ] - [ 0.0004657800000000, 0.0005490700000000, 0.0002808700000000 ] - [ 0.0000195700000000, -0.0029387700000000, 0.0016960400000000 ] - [ -0.0001502500000000, 0.0006327200000000, 0.0003377000000000 ] - [ 0.0035158300000000, 0.0095488600000000, 0.0031539500000000 ] - [ 0.0012424100000000, -0.0021655200000000, 0.0003254300000000 ] - [ 0.0050530900000000, 0.0003193400000000, 0.0019892200000000 ] - [ -0.0001648900000000, 0.0002786400000000, -0.0001716600000000 ] - [ 0.0002838000000000, 0.0033359500000000, 0.0057395900000000 ] - [ -0.0004748700000000, -0.0014917600000000, 0.0020188000000000 ] - [ -0.0042157900000000, 0.0007711200000000, 0.0119954900000000 ] - [ -0.0001720100000000, -0.0003024300000000, 0.0004221400000000 ] - [ 0.0003892300000000, -0.0006497600000000, -0.0013646400000000 ] - [ 0.0010198100000000, 0.0046035300000000, -0.0034082400000000 ] - [ -0.0000461300000000, -0.0006860500000000, -0.0056214200000000 ] - [ -0.0000245600000000, 0.0000881200000000, 0.0000678700000000 ] - [ -0.0088066000000000, -0.0076520000000000, -0.0535905800000000 ] - [ -0.0005874300000000, -0.0003450100000000, 0.0001191900000000 ] - [ -0.0044680900000000, 0.0063432300000000, -0.0017245000000000 ] - [ -0.0011450900000000, -0.0012014200000000, -0.0019102700000000 ] - [ 0.0003748500000000, -0.0026089500000000, 0.0022406300000000 ] - [ 0.0004859900000000, 0.0007317500000000, 0.0000362100000000 ] - [ -0.0001777600000000, -0.0005843000000000, 0.0023424800000000 ] - [ -0.0001557400000000, 0.0003016600000000, 0.0014492900000000 ] - [ 0.0004923500000000, -0.0022610200000000, -0.0011684900000000 ] - [ 0.0012819000000000, 0.0038629000000000, -0.0031975000000000 ] - [ 0.0522582900000000, -0.0224230600000000, -0.0957798800000000 ] - [ 0.0004598600000000, -0.0008681700000000, -0.0011710700000000 ] - [ -0.0002191900000000, 0.0024664400000000, 0.0020106500000000 ] - [ -0.0001746500000000, -0.0009150000000000, 0.0014221600000000 ] - [ 0.0003397600000000, 0.0004692500000000, 0.0020819200000000 ] - [ -0.0003804000000000, 0.0003726100000000, 0.0011395300000000 ] - [ -0.1461127100000000, 0.0256672700000000, 0.2500180900000000 ] - [ -0.0005434000000000, 0.0018233800000000, 0.0012040500000000 ] - [ 0.0002388600000000, 0.0001240900000000, -0.0034619200000000 ] - [ -0.0001442500000000, -0.0006051300000000, -0.0016142200000000 ] - [ -0.0003196300000000, 0.0007248100000000, -0.0053716000000000 ] - [ 0.0005359000000000, -0.0005197700000000, -0.0020806600000000 ] - [ 0.0019717600000000, -0.0001159000000000, 0.0048766900000000 ] - [ 0.0001891900000000, -0.0005787800000000, 0.0039451900000000 ] - [ -0.0001229600000000, 0.0046113500000000, -0.0021065700000000 ] - [ 0.0000113800000000, -0.0025267700000000, -0.0019739200000000 ] - [ 0.0231235300000000, 0.0026151100000000, 0.0178327700000000 ] - [ 0.0001617500000000, -0.0000975800000000, 0.0015689900000000 ] - [ 0.0108854800000000, -0.0241708300000000, -0.0205428600000000 ] - [ 0.0006740200000000, 0.0021806800000000, -0.0002473100000000 ] - [ -0.0104885100000000, -0.0147307400000000, -0.0011668400000000 ] - [ 0.0006208700000000, 0.0013304900000000, 0.0001535000000000 ] - [ 0.0015395600000000, -0.0007048700000000, -0.0094107400000000 ] - [ -0.0001911300000000, -0.0000829700000000, -0.0021079300000000 ] - [ -0.0007669300000000, -0.0004799200000000, -0.0067846500000000 ] - [ -0.0001993500000000, 0.0001086900000000, -0.0022870400000000 ] - [ 0.0023133000000000, 0.0049188300000000, 0.0039580300000000 ] - [ -0.0066807000000000, -0.0021871500000000, 0.0100869200000000 ] - [ -0.0035436500000000, -0.0015799200000000, -0.0021529700000000 ] - [ 0.0000745600000000, -0.0004218500000000, -0.0001494100000000 ] - [ 0.0075863500000000, 0.0206055700000000, -0.0153553200000000 ] - [ 0.0001106800000000, -0.0040620400000000, 0.0006003800000000 ] - [ -0.0061914500000000, 0.0096861600000000, -0.0021902700000000 ] - [ 0.0004609300000000, -0.0024197900000000, 0.0008107500000000 ] - [ -0.0021866200000000, -0.0012524900000000, -0.0015012600000000 ] - [ -0.0011895700000000, 0.0020636600000000, -0.0014581300000000 ] - [ 0.0127184200000000, -0.0032158400000000, -0.0272068200000000 ] - [ -0.0000124000000000, 0.0003631500000000, -0.0000227000000000 ]- atom: 65 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.0018728500000000, -0.0000403900000000, -0.0016907400000000 ] - [ 0.0006750400000000, 0.0011024300000000, -0.0000004400000000 ] - [ 0.0028709700000000, -0.0017800500000000, 0.0026477200000000 ] - [ -0.0000353100000000, -0.0003801700000000, -0.0000977300000000 ] - [ -0.0102664400000000, 0.0008823600000000, 0.0011060700000000 ] - [ -0.0008004100000000, 0.0003898000000000, 0.0001882800000000 ] - [ -0.0014207200000000, 0.0004744500000000, -0.0002814100000000 ] - [ -0.0035114300000000, 0.0007134700000000, -0.0004156200000000 ] - [ -0.0000552900000000, 0.0001380900000000, -0.0003683500000000 ] - [ 0.0003250200000000, -0.0002858100000000, -0.0001539800000000 ] - [ -0.0023113900000000, -0.0031893300000000, 0.0049144500000000 ] - [ 0.0000151100000000, 0.0003148400000000, -0.0002103200000000 ] - [ 0.0000236100000000, 0.0012061600000000, 0.0067056500000000 ] - [ -0.0000445700000000, -0.0000623800000000, 0.0002657500000000 ] - [ -0.0019984000000000, -0.0066293000000000, -0.0017961000000000 ] - [ 0.0016899300000000, 0.0018344500000000, -0.0000348800000000 ] - [ -0.0017372400000000, 0.0003193700000000, -0.0035783900000000 ] - [ -0.0000775500000000, -0.0000347500000000, -0.0007508500000000 ] - [ 0.0005398500000000, -0.0003934100000000, 0.0004477900000000 ] - [ -0.0010761400000000, 0.0008829700000000, 0.0013644100000000 ] - [ 0.0010943300000000, 0.0040819000000000, 0.0035361400000000 ] - [ -0.0006419500000000, -0.0014882300000000, 0.0010469600000000 ] - [ -0.0025043000000000, 0.0052862100000000, -0.0085502300000000 ] - [ -0.0002638400000000, -0.0009010800000000, -0.0005624700000000 ] - [ -0.0003205400000000, -0.0008572300000000, -0.0005063900000000 ] - [ 0.0000379800000000, 0.0002939800000000, -0.0004326100000000 ] - [ 0.1515460600000000, -0.1080045000000000, 0.0272979500000000 ] - [ 0.0001018100000000, -0.0004475500000000, 0.0001143900000000 ] - [ -0.0004050400000000, 0.0003024400000000, 0.0001169800000000 ] - [ 0.0002088400000000, 0.0004608600000000, 0.0000293700000000 ] - [ -0.0030099900000000, 0.0041163400000000, -0.0010722200000000 ] - [ -0.0025978000000000, -0.0004716500000000, -0.0002421800000000 ] - [ -0.0012712800000000, -0.0005759300000000, 0.0018491800000000 ] - [ -0.0105040800000000, 0.0030591800000000, 0.0018373300000000 ] - [ -0.0008992600000000, 0.0003693100000000, 0.0007510800000000 ] - [ -0.0000890600000000, -0.0002467300000000, -0.0001634400000000 ] - [ 0.0264876500000000, -0.0204797000000000, -0.0295728000000000 ] - [ 0.0002806700000000, 0.0010449000000000, -0.0014978200000000 ] - [ 0.0004804100000000, -0.0000135300000000, -0.0005303900000000 ] - [ 0.0000514700000000, 0.0003209600000000, 0.0008852100000000 ] - [ -0.0024387100000000, -0.0014473400000000, 0.0011377000000000 ] - [ -0.0010834300000000, 0.0012507900000000, 0.0011358700000000 ] - [ 0.0001408100000000, -0.0001758900000000, -0.0004699400000000 ] - [ 0.0000733300000000, 0.0004194900000000, -0.0007826900000000 ] - [ 0.0903547500000000, 0.0568657800000000, 0.0204210100000000 ] - [ 0.0006213200000000, -0.0001980200000000, -0.0002285600000000 ] - [ 0.0003658200000000, -0.0001866100000000, 0.0013369000000000 ] - [ 0.0004904100000000, -0.0009499100000000, 0.0023887100000000 ] - [ -0.0052229600000000, -0.0023560500000000, -0.0007492700000000 ] - [ -0.0007113500000000, 0.0004590100000000, -0.0001716700000000 ] - [ -0.0006320300000000, -0.0010614500000000, 0.0009485100000000 ] - [ -0.0000175200000000, 0.0002328500000000, 0.0001870500000000 ] - [ 0.0000722200000000, 0.0009584600000000, 0.0000132500000000 ] - [ 0.0309532800000000, 0.0346102400000000, -0.0302730500000000 ] - [ 0.0010156600000000, -0.0012123700000000, -0.0031129300000000 ] - [ 0.0001237200000000, 0.0003033100000000, 0.0000307900000000 ] - [ -0.0016177000000000, 0.0036369100000000, -0.0003812900000000 ] - [ -0.0001351300000000, -0.0015022900000000, 0.0002453500000000 ] - [ -0.0000666500000000, -0.0015757900000000, -0.0004604100000000 ] - [ 0.0053166300000000, 0.0075409400000000, -0.0092494900000000 ] - [ 0.0148596800000000, 0.0098209100000000, 0.0193112500000000 ] - [ 0.0005495100000000, -0.0005926600000000, -0.0007409400000000 ] - [ -0.0007026500000000, 0.0017179100000000, 0.0033454700000000 ] - [ 0.0003905300000000, -0.0003452600000000, -0.0002045600000000 ] - [ -0.3147519400000000, 0.0319765300000000, 0.0125113700000000 ] - [ -0.0006007800000000, -0.0001644300000000, -0.0003372100000000 ] - [ -0.0006424000000000, -0.0014094500000000, 0.0030876100000000 ] - [ -0.0008496300000000, -0.0003733500000000, -0.0000058000000000 ] - [ 0.0016466900000000, 0.0005581700000000, -0.0016766300000000 ] - [ -0.0000899400000000, -0.0003309100000000, -0.0005263300000000 ] - [ 0.0034924500000000, -0.0006510400000000, 0.0003737300000000 ] - [ 0.0089499800000000, -0.0005824200000000, -0.0043155000000000 ] - [ 0.0064791100000000, -0.0066172400000000, -0.0107643400000000 ] - [ 0.0005886500000000, 0.0006483800000000, -0.0008599300000000 ] - [ 0.0019740500000000, 0.0023079500000000, -0.0001299500000000 ] - [ 0.0067292300000000, -0.0089350800000000, 0.0051110800000000 ] - [ 0.0019057100000000, -0.0004985000000000, -0.0135828200000000 ] - [ -0.0003943700000000, -0.0003355300000000, 0.0004084400000000 ] - [ -0.0011560400000000, 0.0013228200000000, 0.0013207500000000 ] - [ -0.0011541800000000, 0.0000445200000000, -0.0003252300000000 ] - [ 0.0006250100000000, -0.0001110800000000, 0.0001815300000000 ] - [ 0.0013792200000000, -0.0001731000000000, -0.0007877300000000 ] - [ 0.0406855700000000, -0.0012512100000000, 0.0007904500000000 ] - [ 0.0004634300000000, -0.0001559100000000, 0.0001587500000000 ] - [ -0.0038553100000000, -0.0002166900000000, 0.0009884500000000 ] - [ -0.0004754400000000, 0.0000919600000000, 0.0001611300000000 ] - [ -0.0201123200000000, -0.0048627800000000, -0.0034140500000000 ] - [ -0.0059958200000000, 0.0021926900000000, 0.0053598200000000 ]- atom: 65 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.0016973500000000, -0.0010365100000000, 0.0014592800000000 ] - [ -0.0004907700000000, -0.0021684800000000, -0.0002299900000000 ] - [ -0.0030275000000000, 0.0006956200000000, -0.0023707400000000 ] - [ -0.0001492800000000, -0.0006969800000000, 0.0003387700000000 ] - [ 0.0100710900000000, 0.0002292100000000, -0.0008581100000000 ] - [ 0.0006271000000000, 0.0006797400000000, 0.0000580900000000 ] - [ 0.0015864800000000, 0.0006000500000000, 0.0000327500000000 ] - [ 0.0037050500000000, 0.0003503700000000, 0.0002070700000000 ] - [ 0.0001316200000000, -0.0006194000000000, 0.0004622500000000 ] - [ -0.0002446200000000, -0.0002017400000000, 0.0002363500000000 ] - [ 0.0022031800000000, 0.0027065100000000, -0.0050223100000000 ] - [ -0.0000898800000000, -0.0007930600000000, 0.0001239600000000 ] - [ -0.0000742600000000, -0.0007199500000000, -0.0067783300000000 ] - [ -0.0000301400000000, 0.0005382700000000, -0.0003556600000000 ] - [ 0.0020596800000000, 0.0070758100000000, 0.0018577400000000 ] - [ -0.0016407500000000, -0.0013901300000000, 0.0001324400000000 ] - [ 0.0012211600000000, -0.0009008900000000, 0.0024863600000000 ] - [ -0.0004450500000000, -0.0005790600000000, -0.0003363900000000 ] - [ -0.0000134800000000, -0.0002227000000000, 0.0006387700000000 ] - [ 0.0015600500000000, -0.0014737300000000, -0.0002449300000000 ] - [ -0.0005650500000000, -0.0034714000000000, -0.0024581700000000 ] - [ 0.0011740400000000, 0.0021043500000000, 0.0000332300000000 ] - [ 0.0019644200000000, -0.0046780800000000, 0.0075385200000000 ] - [ -0.0002597200000000, 0.0014898000000000, -0.0005268700000000 ] - [ -0.0002313700000000, -0.0000289900000000, 0.0004185000000000 ] - [ -0.0006036800000000, -0.0011933600000000, 0.0003535600000000 ] - [ -0.1457794200000000, 0.1010639000000000, -0.0257904000000000 ] - [ 0.0004620200000000, -0.0004431000000000, -0.0000253300000000 ] - [ 0.0009689100000000, 0.0005991800000000, -0.0000217400000000 ] - [ 0.0003437100000000, 0.0004285600000000, 0.0000562400000000 ] - [ 0.0024785500000000, -0.0032352600000000, 0.0009951500000000 ] - [ 0.0020675100000000, 0.0013187100000000, 0.0001419700000000 ] - [ 0.0008732900000000, -0.0000025100000000, -0.0004413100000000 ] - [ 0.0101843200000000, -0.0037212200000000, -0.0004175700000000 ] - [ 0.0012941800000000, -0.0009302500000000, -0.0021531200000000 ] - [ 0.0004868200000000, -0.0003163600000000, -0.0012444800000000 ] - [ -0.0256696200000000, 0.0210208900000000, 0.0281114700000000 ] - [ 0.0001104900000000, -0.0004970400000000, 0.0001025800000000 ] - [ -0.0008801800000000, 0.0005779300000000, 0.0019499800000000 ] - [ -0.0004497600000000, 0.0002406900000000, 0.0005227300000000 ] - [ 0.0021026500000000, 0.0019925300000000, 0.0003090400000000 ] - [ 0.0007241900000000, -0.0007394800000000, 0.0002767100000000 ] - [ 0.0001896900000000, 0.0007187700000000, -0.0009646500000000 ] - [ 0.0002623200000000, 0.0001138500000000, -0.0006503000000000 ] - [ -0.0931435100000000, -0.0612405800000000, -0.0231741100000000 ] - [ -0.0002958400000000, -0.0003402400000000, -0.0012087200000000 ] - [ -0.0007045300000000, -0.0003457600000000, 0.0000941400000000 ] - [ -0.0008230900000000, 0.0004100700000000, -0.0009611100000000 ] - [ 0.0047274700000000, 0.0018421000000000, 0.0009840500000000 ] - [ 0.0002290000000000, -0.0009991100000000, 0.0004738800000000 ] - [ 0.0011140100000000, 0.0005441300000000, -0.0012421000000000 ] - [ 0.0004961900000000, -0.0007539300000000, -0.0004765300000000 ] - [ 0.0004102400000000, -0.0004507200000000, -0.0003085700000000 ] - [ -0.0310050900000000, -0.0340910500000000, 0.0300536000000000 ] - [ -0.0014997400000000, 0.0017432200000000, 0.0033980800000000 ] - [ -0.0006097400000000, 0.0002085800000000, 0.0002681400000000 ] - [ 0.0007438200000000, -0.0034246400000000, 0.0012739700000000 ] - [ -0.0007279400000000, 0.0017195800000000, 0.0006705200000000 ] - [ -0.0008100600000000, 0.0013515300000000, 0.0013715600000000 ] - [ -0.0062537000000000, -0.0077293100000000, 0.0100978800000000 ] - [ -0.0139825300000000, -0.0101763800000000, -0.0201911000000000 ] - [ 0.0003276800000000, 0.0003996600000000, -0.0001644700000000 ] - [ 0.0015445800000000, -0.0015031800000000, -0.0042092300000000 ] - [ 0.0004854900000000, 0.0005741700000000, -0.0007032900000000 ] - [ 0.3122598700000000, -0.0215644800000000, -0.0130621400000000 ] - [ -0.0000293500000000, 0.0004481500000000, -0.0000913200000000 ] - [ 0.0007136000000000, 0.0013272500000000, -0.0027817100000000 ] - [ 0.0009168200000000, 0.0003076900000000, 0.0003201200000000 ] - [ -0.0022759400000000, -0.0008429600000000, 0.0012471100000000 ] - [ -0.0005471500000000, 0.0000580900000000, 0.0000932100000000 ] - [ -0.0028717200000000, 0.0003804200000000, 0.0000470600000000 ] - [ -0.0083273600000000, 0.0004371200000000, 0.0048672600000000 ] - [ -0.0065881500000000, 0.0066426400000000, 0.0104208900000000 ] - [ -0.0006783200000000, -0.0005613800000000, 0.0005469700000000 ] - [ -0.0018782100000000, -0.0022209900000000, 0.0004431000000000 ] - [ -0.0066307900000000, 0.0091028500000000, -0.0049487100000000 ] - [ -0.0019035400000000, 0.0004630500000000, 0.0132170000000000 ] - [ 0.0003043600000000, 0.0002663100000000, -0.0007214900000000 ] - [ 0.0017918400000000, -0.0010509500000000, -0.0008865300000000 ] - [ 0.0017847800000000, 0.0002406600000000, 0.0007526600000000 ] - [ -0.0003751700000000, 0.0000164300000000, -0.0001067700000000 ] - [ -0.0011282300000000, 0.0000909000000000, 0.0008399600000000 ] - [ -0.0409601100000000, 0.0009304900000000, -0.0008355000000000 ] - [ -0.0007146500000000, 0.0001021500000000, -0.0002308500000000 ] - [ 0.0036128700000000, 0.0002998000000000, -0.0010861800000000 ] - [ 0.0002219300000000, 0.0000049800000000, -0.0002281500000000 ] - [ 0.0203405800000000, 0.0051113600000000, 0.0034742000000000 ] - [ 0.0062287100000000, -0.0022128000000000, -0.0052898600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000107200000000, -0.0016450000000000, 0.0047998500000000 ] - [ -0.0007164200000000, -0.0027002200000000, -0.0037345800000000 ] - [ -0.0033157600000000, 0.0036269600000000, -0.0060157000000000 ] - [ 0.0001063200000000, -0.0021504400000000, 0.0004794000000000 ] - [ -0.0019755200000000, 0.0019012700000000, -0.0066912500000000 ] - [ -0.0007117400000000, -0.0020192500000000, 0.0003851300000000 ] - [ -0.0001325200000000, -0.0016448700000000, -0.0015355500000000 ] - [ -0.0022831600000000, 0.0019323600000000, 0.0029623600000000 ] - [ 0.0005870300000000, -0.0019692700000000, 0.0009359900000000 ] - [ -0.0005666200000000, 0.0003535600000000, -0.0004803300000000 ] - [ 0.0033247700000000, 0.0122264400000000, 0.0040396700000000 ] - [ -0.0004948300000000, -0.0039218000000000, -0.0003643800000000 ] - [ -0.0019232300000000, 0.0131206900000000, 0.0005346400000000 ] - [ 0.0004821300000000, -0.0042151700000000, 0.0000708600000000 ] - [ -0.0023347500000000, -0.0061592600000000, -0.0029041600000000 ] - [ 0.0040874200000000, -0.0023907300000000, 0.0029469800000000 ] - [ 0.0000383400000000, 0.0014890300000000, 0.0046737200000000 ] - [ -0.0007854400000000, -0.0029735800000000, -0.0011137800000000 ] - [ 0.0002021500000000, -0.0026725400000000, 0.0015165000000000 ] - [ 0.0036941800000000, -0.0008349500000000, -0.0053638500000000 ] - [ 0.0022681700000000, -0.0041418400000000, -0.0054475500000000 ] - [ -0.0016884800000000, -0.0069784800000000, 0.0040936100000000 ] - [ 0.0012615000000000, 0.0121536800000000, -0.0022907200000000 ] - [ 0.0000758100000000, -0.0038322800000000, -0.0008922400000000 ] - [ -0.0002743300000000, -0.0017569600000000, -0.0006210700000000 ] - [ -0.0004595800000000, 0.0004048000000000, 0.0000282600000000 ] - [ -0.1049038800000000, 0.1123102900000000, -0.0223437400000000 ] - [ -0.0007390200000000, -0.0068979400000000, 0.0002269100000000 ] - [ 0.0006725400000000, 0.0028412200000000, -0.0002040600000000 ] - [ 0.0000086200000000, -0.0014866400000000, -0.0000099500000000 ] - [ 0.0028912100000000, -0.0030401400000000, 0.0014036000000000 ] - [ -0.0055881400000000, -0.0026359800000000, -0.0023905900000000 ] - [ -0.0002037300000000, -0.0042049100000000, 0.0008693600000000 ] - [ 0.0018901000000000, 0.0058507500000000, 0.0006265400000000 ] - [ 0.0002366000000000, 0.0013808500000000, -0.0034685300000000 ] - [ -0.0003410000000000, -0.0018415400000000, 0.0007549700000000 ] - [ -0.0199313700000000, 0.0751124000000000, 0.0606776200000000 ] - [ -0.0001551800000000, -0.0046725200000000, 0.0007334500000000 ] - [ -0.0002536900000000, 0.0012020000000000, 0.0015782400000000 ] - [ -0.0002729800000000, -0.0008621700000000, 0.0000132800000000 ] - [ -0.0010826400000000, -0.0029187500000000, 0.0039612100000000 ] - [ 0.0017475900000000, -0.0018059200000000, -0.0008645200000000 ] - [ -0.0002465100000000, 0.0029475800000000, -0.0006189300000000 ] - [ 0.0004070100000000, -0.0017671100000000, -0.0005582800000000 ] - [ 0.0610786500000000, 0.0750450800000000, 0.0178837400000000 ] - [ 0.0010244000000000, -0.0056425300000000, -0.0000686400000000 ] - [ -0.0004666300000000, -0.0021727800000000, -0.0007502600000000 ] - [ 0.0000075600000000, 0.0004545500000000, 0.0040356600000000 ] - [ 0.0002840800000000, 0.0072517800000000, 0.0004896900000000 ] - [ -0.0006049600000000, -0.0047521700000000, 0.0009934400000000 ] - [ 0.0004178300000000, 0.0004038900000000, 0.0002137200000000 ] - [ 0.0005766100000000, -0.0019277500000000, -0.0007971300000000 ] - [ 0.0006163200000000, -0.0072233700000000, -0.0014330400000000 ] - [ 0.0391144800000000, 0.1340598900000000, -0.0865262000000000 ] - [ -0.0001239600000000, 0.0017083800000000, -0.0038877100000000 ] - [ -0.0000184500000000, -0.0020991400000000, 0.0012270200000000 ] - [ 0.0014507200000000, -0.0009524100000000, -0.0035876800000000 ] - [ -0.0018005400000000, 0.0043566500000000, 0.0027431700000000 ] - [ -0.0005957400000000, 0.0063564700000000, 0.0029708700000000 ] - [ 0.0092375400000000, 0.0007740100000000, -0.0216562200000000 ] - [ 0.0098319000000000, 0.0004145300000000, 0.0209689800000000 ] - [ 0.0004987500000000, 0.0057421300000000, -0.0020843200000000 ] - [ 0.0034130300000000, -0.0062316700000000, -0.0008369900000000 ] - [ 0.0005825200000000, 0.0040396200000000, -0.0010037600000000 ] - [ 0.0248894400000000, -0.4711958500000000, 0.0200608100000000 ] - [ -0.0006215800000000, 0.0102261500000000, -0.0008059500000000 ] - [ -0.0015327200000000, 0.0009073000000000, -0.0045583500000000 ] - [ 0.0025224200000000, 0.0022617900000000, 0.0028932100000000 ] - [ -0.0010092200000000, -0.0042548100000000, 0.0000938100000000 ] - [ -0.0001192000000000, 0.0033787200000000, -0.0004858900000000 ] - [ -0.0002050000000000, 0.0075340900000000, -0.0007808800000000 ] - [ -0.0001934500000000, -0.0042721600000000, 0.0036708500000000 ] - [ -0.0023299400000000, -0.0047580500000000, 0.0152587900000000 ] - [ 0.0016682900000000, 0.0062623400000000, -0.0029917800000000 ] - [ 0.0010922500000000, 0.0067489900000000, 0.0017926700000000 ] - [ -0.0046606300000000, -0.0064158800000000, -0.0055037300000000 ] - [ -0.0080602000000000, -0.0185197900000000, 0.0193330800000000 ] - [ 0.0003533100000000, 0.0046272200000000, -0.0012799300000000 ] - [ 0.0004047100000000, 0.0015669700000000, 0.0023253000000000 ] - [ -0.0008748300000000, 0.0015532100000000, -0.0013852300000000 ] - [ -0.0000656900000000, 0.0020751700000000, 0.0006204000000000 ] - [ -0.0000965000000000, -0.0019498500000000, 0.0004305400000000 ] - [ -0.0060367500000000, -0.0064590900000000, -0.0119757300000000 ] - [ 0.0005828700000000, 0.0074107900000000, 0.0008290800000000 ] - [ -0.0001041000000000, -0.0055580700000000, 0.0014261100000000 ] - [ -0.0004167400000000, 0.0041598900000000, 0.0000669300000000 ] - [ -0.0021595900000000, 0.0481263300000000, -0.0047140400000000 ] - [ -0.0001415300000000, 0.0422257900000000, 0.0063872100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001727900000000, 0.0005678900000000, -0.0050741400000000 ] - [ 0.0008954400000000, 0.0016351500000000, 0.0034776200000000 ] - [ 0.0031661000000000, -0.0047127200000000, 0.0062905600000000 ] - [ -0.0002734300000000, 0.0010746100000000, -0.0002357500000000 ] - [ 0.0017949600000000, -0.0008357100000000, 0.0069191600000000 ] - [ 0.0005599500000000, 0.0030992600000000, -0.0001290200000000 ] - [ 0.0002961600000000, 0.0027224600000000, 0.0012962700000000 ] - [ 0.0024720700000000, -0.0008463400000000, -0.0032004600000000 ] - [ -0.0005003700000000, 0.0014687500000000, -0.0008424400000000 ] - [ 0.0006498800000000, -0.0008309800000000, 0.0005733900000000 ] - [ -0.0034081800000000, -0.0127563500000000, -0.0041370300000000 ] - [ 0.0004046700000000, 0.0034287500000000, 0.0002630700000000 ] - [ 0.0018279300000000, -0.0126069900000000, -0.0006381400000000 ] - [ -0.0005740200000000, 0.0047300100000000, -0.0001616100000000 ] - [ 0.0024379000000000, 0.0066321600000000, 0.0030008000000000 ] - [ -0.0039799900000000, 0.0028766100000000, -0.0028283500000000 ] - [ -0.0005597400000000, -0.0020969300000000, -0.0057554200000000 ] - [ 0.0002668200000000, 0.0023782500000000, 0.0000201300000000 ] - [ 0.0003159800000000, 0.0020790700000000, -0.0004290600000000 ] - [ -0.0032117100000000, 0.0002730900000000, 0.0065008600000000 ] - [ -0.0017852600000000, 0.0047341300000000, 0.0065723600000000 ] - [ 0.0022077100000000, 0.0076149500000000, -0.0029978700000000 ] - [ -0.0017933600000000, -0.0115402000000000, 0.0011947600000000 ] - [ -0.0005915700000000, 0.0044227000000000, -0.0001919800000000 ] - [ -0.0002904400000000, 0.0008541300000000, 0.0005275300000000 ] - [ -0.0001093200000000, -0.0013022000000000, -0.0001215700000000 ] - [ 0.1104614100000000, -0.1158475100000000, 0.0234397400000000 ] - [ 0.0012896700000000, 0.0059769100000000, -0.0001311300000000 ] - [ -0.0001175700000000, -0.0019515000000000, 0.0002967400000000 ] - [ 0.0005569900000000, 0.0023892400000000, 0.0001053100000000 ] - [ -0.0034764500000000, 0.0039197900000000, -0.0014997300000000 ] - [ 0.0049881400000000, 0.0035304100000000, 0.0022865300000000 ] - [ -0.0001938300000000, 0.0036266900000000, 0.0005486200000000 ] - [ -0.0022794100000000, -0.0064004900000000, 0.0007757000000000 ] - [ 0.0001579900000000, -0.0019654500000000, 0.0020452200000000 ] - [ 0.0007386500000000, 0.0012745100000000, -0.0021734500000000 ] - [ 0.0194527100000000, -0.0733908700000000, -0.0593510100000000 ] - [ 0.0005581900000000, 0.0052630700000000, -0.0021635100000000 ] - [ -0.0001454500000000, -0.0006335900000000, -0.0001626300000000 ] - [ -0.0001209500000000, 0.0014460700000000, 0.0013863600000000 ] - [ 0.0007648000000000, 0.0034475300000000, -0.0025327000000000 ] - [ -0.0020744700000000, 0.0023605100000000, 0.0022823000000000 ] - [ 0.0005803400000000, -0.0024105100000000, -0.0008112100000000 ] - [ -0.0000796200000000, 0.0023121600000000, -0.0008744200000000 ] - [ -0.0642054500000000, -0.0779245200000000, -0.0204332100000000 ] - [ -0.0006868900000000, 0.0050877900000000, -0.0013573900000000 ] - [ 0.0001412300000000, 0.0016298100000000, 0.0021899200000000 ] - [ -0.0003343300000000, -0.0009910200000000, -0.0026112200000000 ] - [ -0.0007554200000000, -0.0077530800000000, -0.0001939000000000 ] - [ 0.0001279600000000, 0.0042311800000000, -0.0007034700000000 ] - [ 0.0000602100000000, -0.0009258700000000, -0.0005063100000000 ] - [ -0.0000990200000000, 0.0014192800000000, 0.0005029300000000 ] - [ -0.0001410100000000, 0.0077692200000000, 0.0011541800000000 ] - [ -0.0362111800000000, -0.1280876600000000, 0.0811484500000000 ] - [ -0.0003497900000000, -0.0011984400000000, 0.0041844100000000 ] - [ -0.0004660100000000, 0.0026289700000000, -0.0009220200000000 ] - [ -0.0023401700000000, 0.0011870000000000, 0.0044957800000000 ] - [ 0.0009212400000000, -0.0041588500000000, -0.0018285500000000 ] - [ -0.0002761300000000, -0.0065920600000000, -0.0020905400000000 ] - [ -0.0101015900000000, -0.0009661500000000, 0.0225190400000000 ] - [ -0.0090187800000000, -0.0006223000000000, -0.0218720800000000 ] - [ 0.0003760400000000, -0.0059593100000000, 0.0011692400000000 ] - [ -0.0025531800000000, 0.0064520900000000, -0.0000786900000000 ] - [ 0.0002952800000000, -0.0038143400000000, 0.0001100000000000 ] - [ -0.0285652500000000, 0.4698607400000000, -0.0180344100000000 ] - [ -0.0000073100000000, -0.0099483700000000, 0.0003844000000000 ] - [ 0.0016351300000000, -0.0009625200000000, 0.0048739700000000 ] - [ -0.0024317800000000, -0.0023498200000000, -0.0025704600000000 ] - [ 0.0003892800000000, 0.0039887400000000, -0.0005205300000000 ] - [ -0.0005039200000000, -0.0036681300000000, 0.0000594300000000 ] - [ 0.0008255800000000, -0.0078096300000000, 0.0012093700000000 ] - [ 0.0008282000000000, 0.0039365400000000, -0.0032296800000000 ] - [ 0.0022800300000000, 0.0048971900000000, -0.0155694300000000 ] - [ -0.0017616800000000, -0.0061920900000000, 0.0026755300000000 ] - [ -0.0010063400000000, -0.0066694700000000, -0.0014913900000000 ] - [ 0.0047243800000000, 0.0064276800000000, 0.0057981500000000 ] - [ 0.0080072000000000, 0.0184930000000000, -0.0197168100000000 ] - [ -0.0004397900000000, -0.0047044800000000, 0.0009897700000000 ] - [ 0.0002110700000000, -0.0012772600000000, -0.0019020300000000 ] - [ 0.0015008500000000, -0.0012907300000000, 0.0018110300000000 ] - [ 0.0003150600000000, -0.0021581300000000, -0.0005487300000000 ] - [ 0.0003491300000000, 0.0018539100000000, -0.0003657100000000 ] - [ 0.0057835900000000, 0.0064076800000000, 0.0118822100000000 ] - [ -0.0008257900000000, -0.0074946800000000, -0.0008946400000000 ] - [ -0.0001451700000000, 0.0056534200000000, -0.0014927600000000 ] - [ 0.0001662300000000, -0.0040735300000000, -0.0001410800000000 ] - [ 0.0024189400000000, -0.0486343700000000, 0.0048467300000000 ] - [ 0.0004172200000000, -0.0417079500000000, -0.0062899200000000 ]- atom: 65 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ -0.0018751200000000, 0.0016954700000000, 0.0001492500000000 ] - [ -0.0015445700000000, -0.0049340900000000, -0.0007508600000000 ] - [ -0.0054183600000000, 0.0010536200000000, -0.0113252500000000 ] - [ -0.0001406100000000, -0.0006048200000000, -0.0002629600000000 ] - [ 0.0032276600000000, -0.0010959900000000, 0.0024750900000000 ] - [ 0.0005522800000000, 0.0015401300000000, 0.0007382400000000 ] - [ 0.0009717700000000, 0.0001953200000000, -0.0003892500000000 ] - [ 0.0027232800000000, 0.0024368300000000, -0.0020866200000000 ] - [ -0.0002846600000000, 0.0004843500000000, -0.0004940000000000 ] - [ -0.0007415700000000, -0.0018444500000000, -0.0015415300000000 ] - [ 0.0073086400000000, 0.0103775100000000, -0.0080489400000000 ] - [ 0.0000115500000000, -0.0014212000000000, 0.0001851600000000 ] - [ 0.0045197600000000, -0.0040509500000000, -0.0117151600000000 ] - [ -0.0001422900000000, 0.0014689500000000, -0.0005851000000000 ] - [ 0.0008324600000000, 0.0016118900000000, 0.0010180500000000 ] - [ -0.0023007400000000, 0.0028714200000000, 0.0009976400000000 ] - [ -0.0001499900000000, 0.0013629300000000, 0.0004253900000000 ] - [ -0.0006984700000000, -0.0012646200000000, -0.0004259000000000 ] - [ 0.0003788100000000, 0.0002600600000000, 0.0002292500000000 ] - [ 0.0047441700000000, -0.0056591900000000, -0.0073032900000000 ] - [ 0.0005237900000000, -0.0036822000000000, 0.0005725000000000 ] - [ 0.0013288800000000, 0.0066814500000000, -0.0005849200000000 ] - [ -0.0052244200000000, -0.0012617100000000, -0.0028828200000000 ] - [ -0.0002152500000000, 0.0008276300000000, -0.0005945800000000 ] - [ -0.0005687800000000, -0.0006955400000000, -0.0007244100000000 ] - [ -0.0011305900000000, -0.0003004000000000, -0.0023339700000000 ] - [ -0.0458629700000000, 0.0291029800000000, 0.0106844000000000 ] - [ 0.0007607100000000, -0.0005617200000000, 0.0005055800000000 ] - [ 0.0001540300000000, 0.0005105900000000, -0.0033839200000000 ] - [ 0.0000888700000000, 0.0002958100000000, -0.0006103300000000 ] - [ 0.0013447800000000, -0.0003756800000000, 0.0009675100000000 ] - [ 0.0017382300000000, 0.0002408900000000, 0.0032122600000000 ] - [ -0.0000468300000000, -0.0001179700000000, 0.0015404100000000 ] - [ 0.0046931700000000, -0.0013614900000000, 0.0076059700000000 ] - [ 0.0021513100000000, -0.0022793300000000, -0.0048143900000000 ] - [ 0.0009711300000000, 0.0001714200000000, -0.0029689700000000 ] - [ -0.0383533900000000, 0.0670385800000000, 0.1095187200000000 ] - [ -0.0001014100000000, 0.0002405700000000, 0.0005331800000000 ] - [ -0.0001530700000000, 0.0006960300000000, -0.0017467400000000 ] - [ -0.0000517500000000, 0.0002720100000000, -0.0017453700000000 ] - [ 0.0010367500000000, 0.0022680200000000, 0.0028265700000000 ] - [ 0.0029830100000000, -0.0037354300000000, 0.0022529000000000 ] - [ -0.0003289900000000, 0.0009773400000000, -0.0042100200000000 ] - [ 0.0001604600000000, 0.0002565300000000, -0.0014765600000000 ] - [ -0.0236089100000000, -0.0112574900000000, 0.0178581600000000 ] - [ 0.0001265300000000, 0.0002966800000000, -0.0002148700000000 ] - [ -0.0004575000000000, -0.0005120400000000, -0.0004617700000000 ] - [ -0.0010014400000000, 0.0018613800000000, -0.0037690500000000 ] - [ 0.0003794800000000, -0.0003949100000000, 0.0023107700000000 ] - [ -0.0000957200000000, -0.0005137400000000, 0.0006248100000000 ] - [ 0.0018044600000000, 0.0013870800000000, -0.0043200800000000 ] - [ 0.0011183100000000, -0.0019463100000000, -0.0023028700000000 ] - [ -0.0000316600000000, -0.0002682800000000, 0.0007560700000000 ] - [ -0.0404022600000000, -0.0835547900000000, 0.0861915300000000 ] - [ -0.0006520000000000, -0.0012686500000000, -0.0013834900000000 ] - [ -0.0004460800000000, 0.0008465400000000, -0.0009253700000000 ] - [ -0.0006113400000000, -0.0089781600000000, 0.0023583900000000 ] - [ -0.0015860900000000, 0.0064899400000000, 0.0017669500000000 ] - [ -0.0005529900000000, 0.0015797000000000, 0.0009390200000000 ] - [ -0.0111690800000000, -0.0155091100000000, 0.0211409400000000 ] - [ 0.0025698000000000, 0.0060263200000000, -0.0035710800000000 ] - [ 0.0003213300000000, -0.0020471800000000, -0.0002810600000000 ] - [ 0.0066328700000000, -0.0008183200000000, 0.0031145300000000 ] - [ 0.0004649400000000, 0.0002255400000000, -0.0002042500000000 ] - [ 0.1568915900000000, -0.0002649800000000, -0.2363495000000000 ] - [ -0.0002874900000000, -0.0002528500000000, -0.0014238300000000 ] - [ 0.0012660300000000, -0.0018058700000000, 0.0019832700000000 ] - [ 0.0018854600000000, 0.0028388300000000, 0.0026253400000000 ] - [ -0.0025193700000000, -0.0007336900000000, 0.0063792300000000 ] - [ -0.0006988900000000, 0.0001976100000000, 0.0021092800000000 ] - [ -0.0010148900000000, -0.0007855300000000, -0.0011846600000000 ] - [ -0.0077718700000000, 0.0031706100000000, -0.0052821100000000 ] - [ -0.0096559400000000, 0.0131716500000000, 0.0046791600000000 ] - [ -0.0018452800000000, -0.0025147200000000, 0.0014839500000000 ] - [ -0.0003072500000000, 0.0001867100000000, -0.0004835300000000 ] - [ 0.0047285400000000, -0.0018825000000000, -0.0059150400000000 ] - [ -0.0124368400000000, 0.0000473600000000, 0.0468801700000000 ] - [ 0.0004194300000000, 0.0002469000000000, -0.0006302300000000 ] - [ 0.0005131600000000, 0.0009891900000000, 0.0030382000000000 ] - [ 0.0019684400000000, -0.0016802100000000, 0.0038040300000000 ] - [ -0.0000425300000000, -0.0000677000000000, 0.0020584400000000 ] - [ -0.0015524100000000, -0.0002881400000000, 0.0079692400000000 ] - [ -0.0153376200000000, -0.0036197100000000, -0.0080871000000000 ] - [ -0.0009421900000000, 0.0009322900000000, -0.0023768500000000 ] - [ 0.0028589700000000, 0.0002305400000000, 0.0118975500000000 ] - [ 0.0001739200000000, -0.0000723200000000, 0.0014133600000000 ] - [ 0.0058883000000000, -0.0008556700000000, -0.0068352900000000 ] - [ 0.0071444200000000, 0.0014764200000000, -0.0208125000000000 ]- atom: 65 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ 0.0020367200000000, -0.0027523500000000, -0.0003754700000000 ] - [ 0.0017323200000000, 0.0038700500000000, 0.0005384700000000 ] - [ 0.0052367500000000, -0.0021597600000000, 0.0115774600000000 ] - [ -0.0000378900000000, -0.0004664600000000, 0.0005133100000000 ] - [ -0.0034773800000000, 0.0021918800000000, -0.0022622100000000 ] - [ -0.0007196900000000, -0.0004586600000000, -0.0004958200000000 ] - [ -0.0008096300000000, 0.0008900200000000, 0.0001369000000000 ] - [ -0.0025623800000000, -0.0013941400000000, 0.0018350300000000 ] - [ 0.0003590100000000, -0.0009527600000000, 0.0005884700000000 ] - [ 0.0008157000000000, 0.0013513700000000, 0.0016431500000000 ] - [ -0.0073281900000000, -0.0108223500000000, 0.0078645400000000 ] - [ -0.0000904200000000, 0.0009478300000000, -0.0002671700000000 ] - [ -0.0046834400000000, 0.0045415300000000, 0.0117931100000000 ] - [ 0.0000617200000000, -0.0009684500000000, 0.0004860600000000 ] - [ -0.0007690900000000, -0.0011450700000000, -0.0009471400000000 ] - [ 0.0023511000000000, -0.0024021400000000, -0.0009273000000000 ] - [ -0.0003684800000000, -0.0019623300000000, -0.0014942100000000 ] - [ 0.0001756800000000, 0.0006603600000000, -0.0006474900000000 ] - [ 0.0001377200000000, -0.0008510600000000, 0.0008642800000000 ] - [ -0.0042667500000000, 0.0050390900000000, 0.0084593700000000 ] - [ 0.0000052500000000, 0.0043311100000000, 0.0004910200000000 ] - [ -0.0007859900000000, -0.0060278500000000, 0.0016344600000000 ] - [ 0.0047345800000000, 0.0018608600000000, 0.0017634100000000 ] - [ -0.0003062600000000, -0.0002260500000000, -0.0004966800000000 ] - [ 0.0000097000000000, -0.0001880200000000, 0.0006352200000000 ] - [ 0.0005731000000000, -0.0006072500000000, 0.0022500200000000 ] - [ 0.0457448700000000, -0.0296291700000000, -0.0101759800000000 ] - [ -0.0002064900000000, -0.0003146500000000, -0.0004166100000000 ] - [ 0.0004000600000000, 0.0003715900000000, 0.0034688600000000 ] - [ 0.0004603300000000, 0.0006027900000000, 0.0006984900000000 ] - [ -0.0018731000000000, 0.0012574400000000, -0.0010457500000000 ] - [ -0.0022748700000000, 0.0006605000000000, -0.0032899400000000 ] - [ -0.0003511800000000, -0.0004316000000000, -0.0001224400000000 ] - [ -0.0050935700000000, 0.0007846500000000, -0.0061950500000000 ] - [ -0.0017734600000000, 0.0017530400000000, 0.0034236100000000 ] - [ -0.0005715100000000, -0.0007348700000000, 0.0015454400000000 ] - [ 0.0373129200000000, -0.0620447200000000, -0.1057716000000000 ] - [ 0.0004887800000000, 0.0003140800000000, -0.0019271600000000 ] - [ -0.0002431900000000, -0.0001235700000000, 0.0031598900000000 ] - [ -0.0003429000000000, 0.0002847500000000, 0.0031624200000000 ] - [ -0.0013725200000000, -0.0017251700000000, -0.0013686500000000 ] - [ -0.0033230800000000, 0.0042759100000000, -0.0008109200000000 ] - [ 0.0006630500000000, -0.0004535600000000, 0.0027996100000000 ] - [ 0.0001735500000000, 0.0002857200000000, 0.0000457600000000 ] - [ 0.0244627800000000, 0.0110920800000000, -0.0192926700000000 ] - [ 0.0001988300000000, -0.0008188100000000, -0.0012223000000000 ] - [ 0.0001239100000000, -0.0000120500000000, 0.0018947900000000 ] - [ 0.0006755200000000, -0.0024330000000000, 0.0052060500000000 ] - [ -0.0008410100000000, -0.0001400400000000, -0.0019946500000000 ] - [ -0.0003815500000000, 0.0000039400000000, -0.0003273900000000 ] - [ -0.0013214400000000, -0.0018795900000000, 0.0040147500000000 ] - [ -0.0006419700000000, 0.0014224000000000, 0.0020150100000000 ] - [ 0.0005149100000000, 0.0007905600000000, -0.0010610800000000 ] - [ 0.0416888500000000, 0.0881366900000000, -0.0882050400000000 ] - [ 0.0001844300000000, 0.0018069800000000, 0.0016720900000000 ] - [ -0.0000356100000000, -0.0003292300000000, 0.0012132500000000 ] - [ -0.0002621500000000, 0.0091094600000000, -0.0014598700000000 ] - [ 0.0007226900000000, -0.0062732800000000, -0.0008822700000000 ] - [ -0.0003253500000000, -0.0018374800000000, -0.0000271900000000 ] - [ 0.0103072200000000, 0.0155760600000000, -0.0202435300000000 ] - [ -0.0016719100000000, -0.0062487200000000, 0.0027687600000000 ] - [ 0.0005539200000000, 0.0018224000000000, -0.0006071700000000 ] - [ -0.0057468500000000, 0.0010628000000000, -0.0040438600000000 ] - [ 0.0004090000000000, -0.0000139000000000, -0.0007052000000000 ] - [ -0.1565932000000000, -0.0091496900000000, 0.2316253000000000 ] - [ -0.0003381500000000, 0.0005168900000000, 0.0010012400000000 ] - [ -0.0011791500000000, 0.0017178200000000, -0.0016770800000000 ] - [ -0.0018209400000000, -0.0029063300000000, -0.0023370000000000 ] - [ 0.0018928200000000, 0.0004561500000000, -0.0068176000000000 ] - [ 0.0000646400000000, -0.0004742300000000, -0.0025339400000000 ] - [ 0.0016399900000000, 0.0004965900000000, 0.0016066300000000 ] - [ 0.0083698200000000, -0.0034211900000000, 0.0057078100000000 ] - [ 0.0096910500000000, -0.0132965800000000, -0.0049992500000000 ] - [ 0.0017472200000000, 0.0025801800000000, -0.0017757000000000 ] - [ 0.0003947300000000, -0.0001200700000000, 0.0008087800000000 ] - [ -0.0045922000000000, 0.0019832300000000, 0.0062848700000000 ] - [ 0.0123164100000000, 0.0002207700000000, -0.0468864100000000 ] - [ -0.0004982200000000, -0.0003342900000000, 0.0003026600000000 ] - [ 0.0001078400000000, -0.0007377900000000, -0.0026110700000000 ] - [ -0.0013496200000000, 0.0019771300000000, -0.0033706700000000 ] - [ 0.0002932200000000, -0.0000554600000000, -0.0019831300000000 ] - [ 0.0018079700000000, 0.0002361300000000, -0.0079198400000000 ] - [ 0.0150316600000000, 0.0035147800000000, 0.0079823200000000 ] - [ 0.0006871300000000, -0.0010341000000000, 0.0022991900000000 ] - [ -0.0031552200000000, -0.0001236100000000, -0.0120017200000000 ] - [ -0.0004235300000000, 0.0001513500000000, -0.0014766800000000 ] - [ -0.0056703100000000, 0.0010811200000000, 0.0068771200000000 ] - [ -0.0068796900000000, -0.0015486100000000, 0.0208409300000000 ]- atom: 67 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ 0.1336634500000000, 0.0154451600000000, 0.0649086500000000 ] - [ 0.0004839900000000, -0.0004571600000000, 0.0000410500000000 ] - [ 0.0054766500000000, 0.0017392000000000, -0.0019105600000000 ] - [ 0.0061624800000000, 0.0001992400000000, 0.0016237500000000 ] - [ 0.0000698600000000, 0.0008680600000000, 0.0012677000000000 ] - [ -0.0001468800000000, 0.0003777500000000, 0.0001922000000000 ] - [ -0.0001651000000000, 0.0002900000000000, -0.0006916400000000 ] - [ 0.0000484500000000, 0.0006647800000000, -0.0001465200000000 ] - [ 0.0577028400000000, -0.0657880500000000, 0.0175129200000000 ] - [ 0.0007711100000000, -0.0007722900000000, -0.0002326700000000 ] - [ -0.0085159800000000, 0.0057469100000000, -0.0006990500000000 ] - [ -0.0004405000000000, -0.0015346400000000, 0.0003953900000000 ] - [ 0.0005684900000000, 0.0005853900000000, -0.0002197500000000 ] - [ 0.0002749100000000, -0.0005254700000000, -0.0005336300000000 ] - [ -0.0014074000000000, -0.0004801400000000, -0.0001752900000000 ] - [ -0.0001631000000000, 0.0000645500000000, 0.0001714300000000 ] - [ 0.0655132500000000, 0.0674798600000000, -0.0328493400000000 ] - [ 0.0001107700000000, 0.0003612200000000, -0.0003433700000000 ] - [ -0.0081228100000000, -0.0053970000000000, 0.0035164700000000 ] - [ -0.0003534800000000, 0.0007210100000000, 0.0008006900000000 ] - [ 0.0022971000000000, 0.0010182600000000, -0.0011239000000000 ] - [ 0.0003740000000000, 0.0002259800000000, 0.0004556100000000 ] - [ -0.0008158000000000, 0.0011763100000000, -0.0001220300000000 ] - [ -0.0004399700000000, -0.0003043500000000, -0.0004759000000000 ] - [ -0.0032555600000000, -0.0030130800000000, 0.0020246400000000 ] - [ -0.0009096800000000, 0.0003468700000000, -0.0002055600000000 ] - [ 0.0040646400000000, 0.0015978400000000, 0.0004673800000000 ] - [ 0.0013725800000000, -0.0013376500000000, 0.0001386100000000 ] - [ -0.0019876200000000, 0.0000496300000000, -0.0002553200000000 ] - [ -0.0010697300000000, 0.0003648700000000, 0.0000173300000000 ] - [ 0.0044361000000000, 0.0021026100000000, 0.0055893100000000 ] - [ 0.0003712800000000, -0.0002382900000000, 0.0004875300000000 ] - [ -0.0012922400000000, -0.0003874100000000, 0.0019585600000000 ] - [ -0.0008528100000000, -0.0006491800000000, 0.0022923000000000 ] - [ 0.0015479000000000, -0.0004401200000000, -0.0027031700000000 ] - [ 0.0001410200000000, 0.0000198900000000, -0.0015984000000000 ] - [ 0.0004554900000000, 0.0010490000000000, -0.0011380000000000 ] - [ -0.0004907400000000, -0.0039619400000000, -0.0024314800000000 ] - [ 0.0256637400000000, -0.0097139200000000, -0.0231254900000000 ] - [ 0.0001728900000000, 0.0002733300000000, 0.0003030300000000 ] - [ -0.0089286000000000, 0.0000755300000000, 0.0001537200000000 ] - [ -0.0009541300000000, -0.0004567600000000, 0.0007290000000000 ] - [ -0.0004607900000000, -0.0022961200000000, -0.0064944600000000 ] - [ -0.0021712200000000, 0.0041966400000000, -0.0031861700000000 ] - [ -0.0011798300000000, 0.0009099400000000, -0.0009860800000000 ] - [ -0.0003749300000000, -0.0012723800000000, -0.0012064500000000 ] - [ 0.0019032600000000, -0.0032677600000000, -0.0000435100000000 ] - [ 0.0002748400000000, 0.0000232100000000, 0.0004897700000000 ] - [ -0.0034811100000000, -0.0050132900000000, 0.0034421900000000 ] - [ -0.0031101000000000, 0.0024337200000000, 0.0047527600000000 ] - [ -0.0131432200000000, -0.0005873600000000, -0.0009800500000000 ] - [ -0.0003153700000000, 0.0000950400000000, 0.0001952700000000 ] - [ 0.0011584700000000, -0.0016340900000000, -0.0013935100000000 ] - [ 0.0004268300000000, 0.0005948200000000, -0.0003161000000000 ] - [ -0.0027263000000000, 0.0015073000000000, 0.0030437000000000 ] - [ -0.0001970500000000, 0.0001510500000000, -0.0000606800000000 ] - [ 0.0470053700000000, -0.0007531100000000, -0.0008912900000000 ] - [ -0.0001507100000000, 0.0002561200000000, 0.0004655200000000 ] - [ -0.0012435200000000, 0.0003006300000000, 0.0009414300000000 ] - [ -0.0006930200000000, -0.0004096400000000, 0.0005904300000000 ] - [ 0.0018241800000000, -0.0009732000000000, -0.0015057800000000 ] - [ 0.0007525400000000, 0.0003376800000000, -0.0001188900000000 ] - [ -0.0041624400000000, 0.0159532700000000, 0.0045871500000000 ] - [ -0.0013717100000000, -0.0137942900000000, -0.0040628300000000 ] - [ -0.0009867600000000, -0.0014527200000000, 0.0008058700000000 ] - [ -0.0011979100000000, 0.0026125000000000, 0.0014073100000000 ] - [ -0.3226811600000000, -0.0138261500000000, -0.0330956800000000 ] - [ -0.0008946400000000, -0.0001109000000000, 0.0002961800000000 ] - [ 0.0063424200000000, 0.0046323900000000, 0.0086026000000000 ] - [ 0.0016003800000000, -0.0011892000000000, 0.0003950400000000 ] - [ 0.0068396100000000, -0.0024428600000000, -0.0073004500000000 ] - [ 0.0009533500000000, 0.0015775600000000, -0.0014751800000000 ] - [ -0.0018237400000000, -0.0006845400000000, 0.0006968400000000 ] - [ -0.0004579800000000, 0.0005238300000000, 0.0005102300000000 ] - [ 0.0013112400000000, 0.0012984600000000, -0.0007256700000000 ] - [ 0.0008074500000000, -0.0001940100000000, -0.0007979900000000 ] - [ 0.0013315100000000, -0.0066010600000000, -0.0002890600000000 ] - [ 0.0013380200000000, 0.0090004000000000, -0.0021410700000000 ] - [ 0.0022662900000000, 0.0081873900000000, -0.0127597400000000 ] - [ -0.0000292600000000, -0.0002593500000000, 0.0005566700000000 ] - [ 0.0116010200000000, -0.0043815900000000, 0.0075331600000000 ] - [ 0.0012247000000000, 0.0006275600000000, 0.0004947500000000 ] - [ 0.0075004500000000, 0.0026331000000000, -0.0130757000000000 ] - [ 0.0001274800000000, -0.0005269200000000, -0.0011096700000000 ] - [ 0.0001361000000000, -0.0060041600000000, -0.0016952400000000 ] - [ -0.0019258300000000, 0.0009590900000000, 0.0016056400000000 ] - [ -0.0031763700000000, 0.0012411600000000, 0.0205585200000000 ] - [ -0.0002013800000000, 0.0002360300000000, -0.0003259700000000 ]- atom: 67 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ -0.1402893500000000, -0.0176408100000000, -0.0702988800000000 ] - [ -0.0003051900000000, -0.0006190600000000, -0.0002805100000000 ] - [ -0.0056870900000000, -0.0028331900000000, 0.0021492600000000 ] - [ -0.0063672600000000, -0.0012689100000000, -0.0013829100000000 ] - [ -0.0002555800000000, 0.0002072700000000, -0.0010329900000000 ] - [ -0.0000281000000000, 0.0006987400000000, 0.0000535000000000 ] - [ 0.0003443400000000, 0.0007866900000000, 0.0004395800000000 ] - [ 0.0001314900000000, 0.0004112200000000, -0.0000981300000000 ] - [ -0.0574359600000000, 0.0632964700000000, -0.0169208500000000 ] - [ -0.0007034400000000, 0.0002952600000000, 0.0003253600000000 ] - [ 0.0084540700000000, -0.0062735900000000, 0.0006542700000000 ] - [ 0.0003680300000000, 0.0010684800000000, -0.0004808500000000 ] - [ -0.0006352400000000, -0.0001112800000000, 0.0001290400000000 ] - [ -0.0003511700000000, 0.0010062400000000, 0.0004447100000000 ] - [ 0.0014753200000000, 0.0009512700000000, 0.0002672200000000 ] - [ 0.0002358900000000, 0.0004115500000000, -0.0000849900000000 ] - [ -0.0655050600000000, -0.0656997900000000, 0.0306426200000000 ] - [ -0.0006396400000000, -0.0009769500000000, -0.0007419000000000 ] - [ 0.0086519600000000, 0.0048567200000000, -0.0024080200000000 ] - [ 0.0008770000000000, -0.0013369400000000, 0.0002901100000000 ] - [ -0.0017620200000000, -0.0004031900000000, 0.0022022900000000 ] - [ 0.0001443800000000, 0.0003761100000000, 0.0006328300000000 ] - [ 0.0002890000000000, -0.0005589000000000, -0.0009632200000000 ] - [ -0.0000845100000000, 0.0009148600000000, -0.0006118200000000 ] - [ 0.0026536900000000, 0.0021062300000000, -0.0021287200000000 ] - [ 0.0003485400000000, -0.0012357000000000, 0.0001158700000000 ] - [ -0.0035064100000000, -0.0024900200000000, -0.0003825100000000 ] - [ -0.0008147500000000, 0.0004393200000000, -0.0000474100000000 ] - [ 0.0025342300000000, 0.0008104000000000, 0.0003231100000000 ] - [ 0.0016361500000000, 0.0005509500000000, 0.0000695200000000 ] - [ -0.0049573300000000, -0.0012103000000000, -0.0056742700000000 ] - [ -0.0009403900000000, 0.0011455400000000, -0.0005768600000000 ] - [ 0.0008995400000000, -0.0001679900000000, -0.0005514900000000 ] - [ 0.0004610500000000, 0.0000836000000000, -0.0008991900000000 ] - [ -0.0011251600000000, -0.0001293600000000, 0.0012525200000000 ] - [ 0.0002590300000000, -0.0005991800000000, 0.0001964900000000 ] - [ -0.0000664300000000, -0.0004921400000000, -0.0002542800000000 ] - [ 0.0008785900000000, 0.0045340300000000, 0.0010468000000000 ] - [ -0.0258195600000000, 0.0103378400000000, 0.0246342500000000 ] - [ -0.0005693900000000, 0.0002809400000000, 0.0010994900000000 ] - [ 0.0085385900000000, 0.0004561500000000, 0.0013076400000000 ] - [ 0.0006315600000000, 0.0010060300000000, 0.0007089500000000 ] - [ 0.0008185800000000, 0.0028190600000000, 0.0050634100000000 ] - [ 0.0025209800000000, -0.0036790800000000, 0.0017735800000000 ] - [ 0.0015124400000000, -0.0014426200000000, -0.0004431100000000 ] - [ 0.0007082500000000, 0.0007335800000000, -0.0002269400000000 ] - [ -0.0022228400000000, 0.0027006400000000, 0.0015071400000000 ] - [ -0.0006089100000000, -0.0005551300000000, 0.0009439000000000 ] - [ 0.0030167400000000, 0.0045142100000000, -0.0031624500000000 ] - [ 0.0026431000000000, -0.0029535800000000, -0.0044673300000000 ] - [ 0.0135508600000000, 0.0000251900000000, 0.0005819500000000 ] - [ 0.0008021100000000, -0.0006307500000000, -0.0004931100000000 ] - [ -0.0006771400000000, 0.0021527500000000, 0.0011027000000000 ] - [ 0.0000536100000000, -0.0000681900000000, 0.0000234700000000 ] - [ 0.0022014300000000, -0.0009587300000000, -0.0026811400000000 ] - [ -0.0002867300000000, 0.0003679900000000, 0.0003531200000000 ] - [ -0.0480513800000000, 0.0009168200000000, 0.0015116500000000 ] - [ -0.0007272300000000, -0.0000340300000000, 0.0004361800000000 ] - [ 0.0003571900000000, -0.0005206600000000, -0.0000461500000000 ] - [ -0.0001853600000000, 0.0001873600000000, 0.0003154800000000 ] - [ -0.0009391400000000, 0.0007488400000000, 0.0005954700000000 ] - [ 0.0001244700000000, -0.0005608600000000, -0.0007837900000000 ] - [ 0.0050348000000000, -0.0157492800000000, -0.0055209700000000 ] - [ 0.0022524000000000, 0.0140287100000000, 0.0031739600000000 ] - [ 0.0003634900000000, 0.0017194000000000, -0.0012440200000000 ] - [ 0.0005747900000000, -0.0023405100000000, -0.0018467000000000 ] - [ 0.3288634100000000, 0.0144968000000000, 0.0392108800000000 ] - [ 0.0009842000000000, 0.0000401200000000, 0.0000141000000000 ] - [ -0.0070140800000000, -0.0047556300000000, -0.0088956100000000 ] - [ -0.0022487900000000, 0.0009119500000000, -0.0008257800000000 ] - [ -0.0062307800000000, 0.0021492500000000, 0.0076918100000000 ] - [ -0.0003199100000000, -0.0018536400000000, 0.0019102800000000 ] - [ 0.0017182400000000, 0.0007615200000000, -0.0009788900000000 ] - [ 0.0003698700000000, -0.0004525600000000, -0.0008228100000000 ] - [ -0.0012176000000000, -0.0012209800000000, 0.0010411100000000 ] - [ -0.0007114400000000, 0.0002654700000000, 0.0011108600000000 ] - [ -0.0013986800000000, 0.0065917300000000, -0.0000302200000000 ] - [ -0.0013976000000000, -0.0091311100000000, 0.0018036900000000 ] - [ -0.0015461500000000, -0.0078658800000000, 0.0131434200000000 ] - [ 0.0006609900000000, 0.0005346300000000, -0.0001208000000000 ] - [ -0.0113743000000000, 0.0041776900000000, -0.0073633400000000 ] - [ -0.0009753900000000, -0.0006992300000000, -0.0004167500000000 ] - [ -0.0077900000000000, -0.0026972700000000, 0.0129777000000000 ] - [ -0.0003819000000000, 0.0004348500000000, 0.0010336800000000 ] - [ -0.0003614700000000, 0.0060516800000000, 0.0016377800000000 ] - [ 0.0016908300000000, -0.0008539300000000, -0.0016778400000000 ] - [ 0.0034232800000000, -0.0011480500000000, -0.0204708800000000 ] - [ 0.0004573400000000, -0.0001431700000000, 0.0003956800000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0159258000000000, 0.0224108400000000, 0.0097205900000000 ] - [ 0.0000127200000000, -0.0032591500000000, -0.0001967700000000 ] - [ 0.0077396000000000, -0.0096720600000000, -0.0018273700000000 ] - [ -0.0070524900000000, -0.0090792000000000, 0.0003960000000000 ] - [ 0.0005644100000000, 0.0019370900000000, 0.0020548300000000 ] - [ -0.0000754600000000, -0.0003664700000000, -0.0002083700000000 ] - [ -0.0000618800000000, 0.0012737500000000, 0.0015333800000000 ] - [ 0.0003029200000000, -0.0004451500000000, -0.0002370700000000 ] - [ -0.0617301600000000, 0.1416234500000000, -0.0232363100000000 ] - [ 0.0000004900000000, -0.0059594500000000, -0.0001397900000000 ] - [ -0.0030926500000000, 0.0039563200000000, 0.0010943300000000 ] - [ -0.0012066300000000, -0.0042494100000000, -0.0011738900000000 ] - [ -0.0004685500000000, 0.0006752200000000, -0.0007799000000000 ] - [ 0.0001811000000000, -0.0005737200000000, 0.0006384500000000 ] - [ 0.0003999200000000, 0.0030508000000000, -0.0004664200000000 ] - [ -0.0002942100000000, -0.0020077200000000, 0.0001329100000000 ] - [ 0.0685038600000000, 0.1304949600000000, -0.0445038000000000 ] - [ -0.0002616800000000, -0.0055297300000000, -0.0009671000000000 ] - [ 0.0023514800000000, 0.0008680700000000, -0.0008681300000000 ] - [ 0.0018641200000000, -0.0040798200000000, 0.0004538700000000 ] - [ 0.0006655000000000, 0.0034629800000000, 0.0000785100000000 ] - [ -0.0000795200000000, -0.0017147500000000, 0.0007356500000000 ] - [ 0.0001833700000000, -0.0006504500000000, -0.0012925900000000 ] - [ -0.0003705900000000, 0.0002328100000000, -0.0000449000000000 ] - [ 0.0034808900000000, 0.0055153300000000, 0.0013727700000000 ] - [ -0.0006227200000000, -0.0027995900000000, -0.0006823600000000 ] - [ 0.0028626500000000, 0.0011436700000000, 0.0038910800000000 ] - [ -0.0001101500000000, -0.0023704000000000, -0.0007232700000000 ] - [ 0.0005204000000000, 0.0007514800000000, -0.0010064400000000 ] - [ 0.0009583500000000, -0.0013619700000000, 0.0012767800000000 ] - [ 0.0018261200000000, 0.0088528500000000, -0.0047707200000000 ] - [ -0.0000436400000000, -0.0028825800000000, 0.0005106600000000 ] - [ 0.0005869200000000, 0.0003050900000000, -0.0013920600000000 ] - [ -0.0006345900000000, -0.0019754200000000, 0.0022122000000000 ] - [ -0.0005127700000000, 0.0030243900000000, -0.0011362500000000 ] - [ 0.0002395800000000, -0.0029699500000000, 0.0004112000000000 ] - [ 0.0007504000000000, -0.0012814800000000, 0.0021216300000000 ] - [ -0.0004280400000000, 0.0000569400000000, -0.0043203700000000 ] - [ -0.0097873300000000, 0.0398352300000000, 0.0325590600000000 ] - [ -0.0002734400000000, -0.0028435000000000, 0.0011112100000000 ] - [ -0.0006382000000000, 0.0052301200000000, -0.0001234200000000 ] - [ -0.0006451400000000, -0.0032290300000000, 0.0008786900000000 ] - [ -0.0043765800000000, -0.0043349700000000, -0.0085107400000000 ] - [ 0.0031495100000000, -0.0064854800000000, 0.0036396500000000 ] - [ -0.0003555300000000, 0.0015063500000000, 0.0000392600000000 ] - [ 0.0001018300000000, -0.0019787700000000, -0.0014626200000000 ] - [ -0.0022709000000000, 0.0043647700000000, 0.0036350400000000 ] - [ 0.0000065800000000, -0.0024804000000000, 0.0002493200000000 ] - [ -0.0031626100000000, -0.0056613000000000, 0.0043249800000000 ] - [ 0.0045968000000000, -0.0058613500000000, -0.0098398000000000 ] - [ -0.0008901900000000, 0.0094936200000000, -0.0008734300000000 ] - [ 0.0008550100000000, -0.0045424000000000, -0.0003005200000000 ] - [ 0.0005084800000000, 0.0009388300000000, -0.0010640400000000 ] - [ 0.0000100200000000, -0.0015497800000000, 0.0005479500000000 ] - [ 0.0019780800000000, 0.0013601200000000, -0.0051483200000000 ] - [ -0.0002112300000000, -0.0023134700000000, 0.0005220900000000 ] - [ 0.0038843300000000, -0.0119032400000000, -0.0002721700000000 ] - [ -0.0004714100000000, 0.0064468500000000, 0.0005012800000000 ] - [ -0.0002775400000000, -0.0014969600000000, -0.0000457000000000 ] - [ -0.0004216700000000, 0.0020020300000000, 0.0005376000000000 ] - [ 0.0003454600000000, -0.0025802600000000, 0.0003299100000000 ] - [ 0.0002574900000000, 0.0022255900000000, -0.0004168300000000 ] - [ 0.0075687000000000, 0.0310815000000000, 0.0007309000000000 ] - [ -0.0043444200000000, 0.0321176300000000, 0.0026479500000000 ] - [ -0.0016845000000000, 0.0010554700000000, -0.0029349000000000 ] - [ -0.0006543700000000, 0.0024414300000000, 0.0028346000000000 ] - [ -0.0192217900000000, -0.3627969600000000, 0.0452643100000000 ] - [ -0.0000251600000000, 0.0077447800000000, -0.0003165400000000 ] - [ 0.0087165700000000, -0.0065926100000000, 0.0066871300000000 ] - [ -0.0025838400000000, 0.0065908200000000, -0.0015703900000000 ] - [ -0.0063108900000000, -0.0049250200000000, 0.0116634300000000 ] - [ 0.0009247200000000, 0.0061025300000000, -0.0023448400000000 ] - [ -0.0007713400000000, -0.0031354100000000, 0.0002296500000000 ] - [ 0.0004408300000000, 0.0023860500000000, -0.0009825600000000 ] - [ -0.0012125500000000, -0.0020179800000000, 0.0005616000000000 ] - [ 0.0002771000000000, 0.0025121900000000, -0.0004137200000000 ] - [ -0.0091753500000000, 0.0045326100000000, -0.0051151200000000 ] - [ 0.0065030400000000, 0.0045340300000000, 0.0054698300000000 ] - [ 0.0008092000000000, -0.0183241500000000, 0.0005187700000000 ] - [ 0.0006159000000000, 0.0048012500000000, 0.0000529500000000 ] - [ -0.0138340100000000, -0.0042443800000000, -0.0138677900000000 ] - [ 0.0010170000000000, 0.0060955400000000, 0.0016224500000000 ] - [ 0.0072666000000000, -0.0048610300000000, -0.0177966100000000 ] - [ -0.0000414600000000, 0.0060363100000000, 0.0024916500000000 ] - [ -0.0023167100000000, 0.0043683500000000, 0.0087257000000000 ] - [ 0.0018812600000000, 0.0045005500000000, -0.0079146900000000 ] - [ 0.0010902500000000, -0.0071028800000000, 0.0045227500000000 ] - [ 0.0002786000000000, 0.0045492100000000, -0.0002459100000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0150043700000000, -0.0231676600000000, -0.0095611500000000 ] - [ 0.0001596300000000, 0.0021771900000000, -0.0000505300000000 ] - [ -0.0078050000000000, 0.0084705700000000, 0.0020706200000000 ] - [ 0.0069373600000000, 0.0080770700000000, -0.0001530500000000 ] - [ -0.0007398600000000, -0.0008572400000000, -0.0018055200000000 ] - [ -0.0000928000000000, 0.0014401000000000, 0.0004641000000000 ] - [ 0.0002353600000000, -0.0002028800000000, -0.0017771500000000 ] - [ -0.0001323900000000, 0.0015239300000000, -0.0000208400000000 ] - [ 0.0666284300000000, -0.1493544000000000, 0.0255196300000000 ] - [ 0.0000759800000000, 0.0054461200000000, 0.0002320200000000 ] - [ 0.0030259600000000, -0.0044075000000000, -0.0011814500000000 ] - [ 0.0011274200000000, 0.0037579500000000, 0.0010826800000000 ] - [ 0.0003771500000000, -0.0001687700000000, 0.0006809400000000 ] - [ -0.0002682200000000, 0.0010537500000000, -0.0007309200000000 ] - [ -0.0003145000000000, -0.0025691500000000, 0.0005603800000000 ] - [ 0.0003835800000000, 0.0024979300000000, -0.0000396000000000 ] - [ -0.0646651900000000, -0.1260176700000000, 0.0403494100000000 ] - [ -0.0002661200000000, 0.0049334300000000, -0.0001249000000000 ] - [ -0.0018214000000000, -0.0015001200000000, 0.0019503600000000 ] - [ -0.0013202300000000, 0.0034675100000000, 0.0006382700000000 ] - [ -0.0001404200000000, -0.0028613400000000, 0.0010101900000000 ] - [ 0.0005986100000000, 0.0023087200000000, 0.0003570100000000 ] - [ -0.0007022700000000, 0.0012615400000000, 0.0001958900000000 ] - [ -0.0001472900000000, 0.0003580800000000, -0.0010467800000000 ] - [ -0.0040448400000000, -0.0064438200000000, -0.0014641000000000 ] - [ 0.0000669400000000, 0.0019089900000000, 0.0005810300000000 ] - [ -0.0023087400000000, -0.0020196900000000, -0.0037849800000000 ] - [ 0.0006650900000000, 0.0014778900000000, 0.0008187300000000 ] - [ 0.0000334000000000, 0.0001590800000000, 0.0010859700000000 ] - [ -0.0003914200000000, 0.0022419900000000, -0.0011934300000000 ] - [ -0.0023748400000000, -0.0079955700000000, 0.0046686500000000 ] - [ -0.0005177000000000, 0.0037831800000000, -0.0006015400000000 ] - [ -0.0009831400000000, -0.0009195300000000, 0.0028076600000000 ] - [ 0.0002402800000000, 0.0013815300000000, -0.0008071300000000 ] - [ 0.0009203500000000, -0.0036133300000000, -0.0002689800000000 ] - [ 0.0001623200000000, 0.0023583400000000, -0.0018184900000000 ] - [ -0.0003441900000000, 0.0018827600000000, -0.0035039900000000 ] - [ 0.0008362100000000, 0.0005344600000000, 0.0029288600000000 ] - [ 0.0093137800000000, -0.0394688900000000, -0.0307950800000000 ] - [ -0.0001257500000000, 0.0034416200000000, 0.0002860300000000 ] - [ 0.0002885900000000, -0.0047003800000000, 0.0015407900000000 ] - [ 0.0003172600000000, 0.0037773600000000, 0.0005604600000000 ] - [ 0.0046579400000000, 0.0048672700000000, 0.0070332500000000 ] - [ -0.0028158500000000, 0.0069802500000000, -0.0050545700000000 ] - [ 0.0007014400000000, -0.0020344300000000, -0.0014675900000000 ] - [ 0.0002368700000000, 0.0014344500000000, 0.0000337200000000 ] - [ 0.0019462200000000, -0.0049396000000000, -0.0021939200000000 ] - [ -0.0003422600000000, 0.0019403500000000, 0.0011756400000000 ] - [ 0.0026683400000000, 0.0051645300000000, -0.0040231400000000 ] - [ -0.0051158900000000, 0.0053511300000000, 0.0101645700000000 ] - [ 0.0013619700000000, -0.0100110700000000, 0.0005729000000000 ] - [ -0.0003645800000000, 0.0040015700000000, -0.0000107000000000 ] - [ -0.0000282000000000, -0.0004309100000000, 0.0007709100000000 ] - [ 0.0004685700000000, 0.0020752800000000, -0.0008381200000000 ] - [ -0.0024951800000000, -0.0008025700000000, 0.0055180700000000 ] - [ -0.0002690200000000, 0.0028308500000000, -0.0002281700000000 ] - [ -0.0047298900000000, 0.0121232800000000, 0.0012091100000000 ] - [ -0.0004133900000000, -0.0062176200000000, 0.0003985400000000 ] - [ -0.0005986200000000, 0.0012829100000000, 0.0009409900000000 ] - [ -0.0004554500000000, -0.0022295200000000, 0.0003657200000000 ] - [ 0.0005387200000000, 0.0023457600000000, -0.0012469900000000 ] - [ 0.0006206400000000, -0.0024413800000000, -0.0004885300000000 ] - [ -0.0064936000000000, -0.0305725400000000, -0.0017008800000000 ] - [ 0.0053982200000000, -0.0320947100000000, -0.0034831200000000 ] - [ 0.0010553300000000, -0.0008053400000000, 0.0024788500000000 ] - [ 0.0000359300000000, -0.0021656800000000, -0.0032870100000000 ] - [ 0.0090723900000000, 0.3648282300000000, -0.0448113000000000 ] - [ 0.0001165000000000, -0.0078077300000000, 0.0006251000000000 ] - [ -0.0093106400000000, 0.0062356100000000, -0.0071029700000000 ] - [ 0.0019479600000000, -0.0068448200000000, 0.0011485300000000 ] - [ 0.0069529600000000, 0.0047162800000000, -0.0112688200000000 ] - [ -0.0002946000000000, -0.0063747800000000, 0.0027676500000000 ] - [ 0.0006818900000000, 0.0031923700000000, -0.0005469900000000 ] - [ -0.0005298400000000, -0.0023042000000000, 0.0006685500000000 ] - [ 0.0013012400000000, 0.0021070500000000, -0.0002611000000000 ] - [ -0.0001840100000000, -0.0024433600000000, 0.0007248700000000 ] - [ 0.0089590700000000, -0.0046034600000000, 0.0047284500000000 ] - [ -0.0066775200000000, -0.0046034800000000, -0.0058095300000000 ] - [ -0.0001559400000000, 0.0186943700000000, -0.0001861600000000 ] - [ 0.0000074100000000, -0.0045274100000000, 0.0003884700000000 ] - [ 0.0140812600000000, 0.0041687200000000, 0.0139314700000000 ] - [ -0.0007539500000000, -0.0061650000000000, -0.0015342800000000 ] - [ -0.0075127800000000, 0.0047582200000000, 0.0177408500000000 ] - [ -0.0002144200000000, -0.0061282800000000, -0.0025791900000000 ] - [ 0.0020466700000000, -0.0043385100000000, -0.0087013600000000 ] - [ -0.0021375000000000, -0.0044070800000000, 0.0078877300000000 ] - [ -0.0008280500000000, 0.0072022900000000, -0.0044109500000000 ] - [ -0.0000193600000000, -0.0044604000000000, 0.0003013400000000 ]- atom: 67 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ 0.0022161100000000, 0.0010089200000000, 0.0300143800000000 ] - [ 0.0002606000000000, -0.0004246300000000, 0.0005470300000000 ] - [ -0.0034093500000000, -0.0014321000000000, 0.0079372100000000 ] - [ -0.0008457500000000, -0.0002784400000000, 0.0023141100000000 ] - [ -0.0002422100000000, 0.0004703000000000, -0.0049399800000000 ] - [ -0.0003983100000000, 0.0005920800000000, -0.0010899800000000 ] - [ -0.0003921300000000, 0.0009831600000000, -0.0029648000000000 ] - [ -0.0000318600000000, 0.0002176400000000, -0.0011302300000000 ] - [ -0.0102009100000000, 0.0045914100000000, 0.0198166800000000 ] - [ -0.0002591400000000, 0.0003271500000000, 0.0015765500000000 ] - [ 0.0028539600000000, 0.0023426800000000, 0.0021428000000000 ] - [ 0.0002569800000000, -0.0005067200000000, 0.0007831600000000 ] - [ -0.0012379700000000, -0.0009159500000000, -0.0024852900000000 ] - [ -0.0008446700000000, 0.0022703800000000, -0.0015607700000000 ] - [ 0.0003662800000000, 0.0010361000000000, -0.0041184600000000 ] - [ 0.0000922900000000, 0.0002273500000000, -0.0011090200000000 ] - [ -0.0598698300000000, -0.0704451800000000, 0.0534305600000000 ] - [ -0.0007315700000000, -0.0008069200000000, 0.0005291700000000 ] - [ -0.0000098200000000, -0.0015723400000000, 0.0044244600000000 ] - [ 0.0004404400000000, 0.0005037200000000, 0.0021151100000000 ] - [ -0.0006137400000000, 0.0001062400000000, -0.0041712100000000 ] - [ 0.0003733400000000, 0.0007563200000000, -0.0005487300000000 ] - [ 0.0011565100000000, -0.0017135300000000, -0.0037154100000000 ] - [ 0.0002585600000000, 0.0011956700000000, -0.0030158000000000 ] - [ 0.0078057300000000, 0.0084008300000000, -0.0050511300000000 ] - [ 0.0010532700000000, -0.0029062600000000, 0.0003337100000000 ] - [ -0.0028163600000000, 0.0016755500000000, -0.0044045200000000 ] - [ 0.0000550900000000, -0.0007797500000000, -0.0005224100000000 ] - [ 0.0030397100000000, -0.0014668700000000, 0.0012401900000000 ] - [ 0.0015933500000000, 0.0020591800000000, 0.0009812600000000 ] - [ 0.0039125800000000, -0.0043013400000000, -0.0139167800000000 ] - [ -0.0009228000000000, 0.0015482000000000, -0.0005923900000000 ] - [ 0.0022018600000000, -0.0029717000000000, -0.0035103500000000 ] - [ 0.0008397800000000, 0.0011122600000000, -0.0026947200000000 ] - [ -0.0028290900000000, -0.0016040700000000, -0.0032202900000000 ] - [ 0.0002841400000000, -0.0002565300000000, -0.0007182300000000 ] - [ -0.0000587800000000, 0.0014855900000000, -0.0001903200000000 ] - [ -0.0002149900000000, -0.0011130500000000, -0.0002113500000000 ] - [ -0.0352801600000000, 0.0342078200000000, 0.1065976700000000 ] - [ -0.0007481500000000, 0.0006890900000000, 0.0022237800000000 ] - [ 0.0042947600000000, -0.0011113000000000, 0.0003803700000000 ] - [ 0.0005584900000000, 0.0011883400000000, 0.0008524800000000 ] - [ -0.0012025100000000, -0.0004254600000000, 0.0088042400000000 ] - [ 0.0014518500000000, -0.0008150900000000, 0.0011860700000000 ] - [ -0.0002703900000000, 0.0000432100000000, -0.0037270700000000 ] - [ 0.0000018200000000, -0.0006134800000000, -0.0017833800000000 ] - [ -0.0044963400000000, 0.0083366500000000, -0.0066999900000000 ] - [ -0.0013725000000000, -0.0017545800000000, 0.0002548200000000 ] - [ 0.0019947900000000, 0.0060299400000000, -0.0025972100000000 ] - [ 0.0003338900000000, -0.0034536300000000, 0.0030568200000000 ] - [ 0.0038890900000000, -0.0008559700000000, 0.0063161700000000 ] - [ 0.0002706000000000, 0.0000689800000000, 0.0009814000000000 ] - [ -0.0000581900000000, -0.0005346500000000, -0.0027944300000000 ] - [ 0.0002965000000000, 0.0015446300000000, -0.0021506100000000 ] - [ 0.0056708800000000, -0.0043836900000000, -0.0138776900000000 ] - [ -0.0000773900000000, 0.0007689800000000, -0.0006806200000000 ] - [ -0.0107936300000000, 0.0005107100000000, -0.0106172300000000 ] - [ -0.0005960700000000, -0.0002758300000000, -0.0009839000000000 ] - [ 0.0014859200000000, -0.0009185000000000, 0.0079819400000000 ] - [ -0.0003847000000000, 0.0005799600000000, 0.0027969100000000 ] - [ -0.0023339900000000, 0.0008610500000000, 0.0081612400000000 ] - [ 0.0001818100000000, -0.0005208700000000, 0.0012860800000000 ] - [ 0.0047535900000000, -0.0161423000000000, -0.0118789400000000 ] - [ 0.0007378500000000, 0.0034890600000000, -0.0031436600000000 ] - [ 0.0025889900000000, -0.0032958000000000, 0.0025071900000000 ] - [ -0.0000503600000000, 0.0014011800000000, 0.0014495000000000 ] - [ 0.1193686000000000, 0.0429338600000000, -0.2365973400000000 ] - [ 0.0006035500000000, -0.0004222000000000, -0.0017501700000000 ] - [ 0.0010368400000000, 0.0026940700000000, -0.0080661100000000 ] - [ -0.0014597700000000, -0.0011035700000000, -0.0012747200000000 ] - [ -0.0120019000000000, 0.0144942100000000, 0.0036346000000000 ] - [ -0.0006077000000000, -0.0034459700000000, 0.0023120400000000 ] - [ 0.0015137400000000, 0.0007307200000000, 0.0075902200000000 ] - [ 0.0007396700000000, -0.0009259000000000, 0.0011767600000000 ] - [ -0.0013283200000000, -0.0009130500000000, 0.0075785500000000 ] - [ -0.0011577400000000, 0.0006458900000000, 0.0039240200000000 ] - [ -0.0024180400000000, -0.0019940600000000, -0.0045888800000000 ] - [ -0.0007737400000000, 0.0001354900000000, -0.0037245300000000 ] - [ -0.0125031600000000, -0.0208291200000000, 0.0470987400000000 ] - [ 0.0009746000000000, 0.0013203200000000, -0.0001497500000000 ] - [ -0.0022243200000000, -0.0037774200000000, -0.0048313200000000 ] - [ -0.0006157700000000, 0.0010749600000000, -0.0014131700000000 ] - [ -0.0111962500000000, -0.0107382300000000, 0.0163914900000000 ] - [ -0.0002883400000000, 0.0015286900000000, 0.0008003300000000 ] - [ -0.0027631000000000, 0.0203286500000000, 0.0048601000000000 ] - [ 0.0004408600000000, -0.0071281600000000, -0.0008735400000000 ] - [ 0.0102480200000000, 0.0019602000000000, 0.0106486900000000 ] - [ 0.0004345300000000, -0.0006031800000000, 0.0010478100000000 ]- atom: 67 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ -0.0013879700000000, -0.0019674800000000, -0.0296148400000000 ] - [ -0.0000828000000000, -0.0006498200000000, -0.0007906100000000 ] - [ 0.0032241000000000, 0.0003581700000000, -0.0076687600000000 ] - [ 0.0006525300000000, -0.0008286300000000, -0.0020596800000000 ] - [ 0.0000685900000000, 0.0005944400000000, 0.0052062100000000 ] - [ 0.0002311000000000, 0.0004925700000000, 0.0013392800000000 ] - [ 0.0005605300000000, 0.0000973200000000, 0.0027348200000000 ] - [ 0.0002092900000000, 0.0008569900000000, 0.0008961300000000 ] - [ 0.0097812700000000, -0.0042119900000000, -0.0198159500000000 ] - [ 0.0003374000000000, -0.0007997500000000, -0.0014845700000000 ] - [ -0.0029593000000000, -0.0028054000000000, -0.0022521500000000 ] - [ -0.0003484100000000, 0.0000134300000000, -0.0008833100000000 ] - [ 0.0011609300000000, 0.0013976800000000, 0.0024046100000000 ] - [ 0.0007586200000000, -0.0017662700000000, 0.0014719700000000 ] - [ -0.0002874800000000, -0.0005553400000000, 0.0042258500000000 ] - [ -0.0000149900000000, 0.0002567600000000, 0.0012018900000000 ] - [ 0.0608082000000000, 0.0728908400000000, -0.0548626900000000 ] - [ 0.0002152500000000, 0.0002111400000000, -0.0016222800000000 ] - [ 0.0005053600000000, 0.0009620500000000, -0.0033298400000000 ] - [ 0.0000783500000000, -0.0010949200000000, -0.0010299600000000 ] - [ 0.0011397100000000, 0.0004731300000000, 0.0052823200000000 ] - [ 0.0001428500000000, -0.0001582800000000, 0.0016401200000000 ] - [ -0.0016827800000000, 0.0023168000000000, 0.0026387500000000 ] - [ -0.0007803300000000, -0.0005874500000000, 0.0019356500000000 ] - [ -0.0083408600000000, -0.0092827900000000, 0.0049258500000000 ] - [ -0.0016233700000000, 0.0020130900000000, -0.0004227500000000 ] - [ 0.0034016500000000, -0.0026058100000000, 0.0045028200000000 ] - [ 0.0005080700000000, -0.0001097300000000, 0.0006114700000000 ] - [ -0.0024818600000000, 0.0023576600000000, -0.0011432500000000 ] - [ -0.0010286800000000, -0.0011647200000000, -0.0008814200000000 ] - [ -0.0045771500000000, 0.0052819800000000, 0.0140491100000000 ] - [ 0.0003603300000000, -0.0006403200000000, 0.0004930800000000 ] - [ -0.0026310300000000, 0.0024413900000000, 0.0049456200000000 ] - [ -0.0012329000000000, -0.0016848400000000, 0.0040931900000000 ] - [ 0.0032166500000000, 0.0010298800000000, 0.0018186800000000 ] - [ 0.0001124100000000, -0.0003052800000000, -0.0006867600000000 ] - [ 0.0004596700000000, -0.0009212100000000, -0.0012377600000000 ] - [ 0.0006124300000000, 0.0016766700000000, -0.0012347300000000 ] - [ 0.0329953200000000, -0.0309839500000000, -0.0979889000000000 ] - [ 0.0003528700000000, -0.0001196100000000, -0.0008151700000000 ] - [ -0.0047285300000000, 0.0016309500000000, 0.0010056900000000 ] - [ -0.0008881400000000, -0.0006412800000000, 0.0005736900000000 ] - [ 0.0015218600000000, 0.0009613500000000, -0.0102061700000000 ] - [ -0.0011093700000000, 0.0013271900000000, -0.0025946900000000 ] - [ 0.0006043200000000, -0.0005930100000000, 0.0022994800000000 ] - [ 0.0003243500000000, 0.0000802600000000, 0.0003460600000000 ] - [ 0.0041653500000000, -0.0088779600000000, 0.0081204400000000 ] - [ 0.0010447300000000, 0.0012179400000000, 0.0011838400000000 ] - [ -0.0024525900000000, -0.0065094200000000, 0.0028372300000000 ] - [ -0.0008084500000000, 0.0029782400000000, -0.0028149500000000 ] - [ -0.0033734800000000, 0.0003347100000000, -0.0066019800000000 ] - [ 0.0002086800000000, -0.0005797500000000, -0.0012699800000000 ] - [ 0.0005512500000000, 0.0010702700000000, 0.0024996900000000 ] - [ 0.0001830800000000, -0.0010359200000000, 0.0018620300000000 ] - [ -0.0062117700000000, 0.0049109800000000, 0.0142914800000000 ] - [ -0.0004057900000000, -0.0002384300000000, 0.0009798500000000 ] - [ 0.0100094500000000, -0.0002725700000000, 0.0115165700000000 ] - [ -0.0002826100000000, 0.0004934300000000, 0.0018894500000000 ] - [ -0.0023602300000000, 0.0006819900000000, -0.0070814800000000 ] - [ -0.0004920400000000, -0.0008011300000000, -0.0019029400000000 ] - [ 0.0032222900000000, -0.0010694900000000, -0.0090842300000000 ] - [ 0.0006961400000000, 0.0002837600000000, -0.0021912400000000 ] - [ -0.0038633800000000, 0.0163037600000000, 0.0109500700000000 ] - [ 0.0001004200000000, -0.0032136600000000, 0.0022828900000000 ] - [ -0.0032324900000000, 0.0035997800000000, -0.0029203200000000 ] - [ -0.0005786700000000, -0.0011423200000000, -0.0018526700000000 ] - [ -0.1188322500000000, -0.0498901400000000, 0.2288145000000000 ] - [ -0.0005199800000000, 0.0003431600000000, 0.0020654800000000 ] - [ -0.0016890100000000, -0.0029788000000000, 0.0075758300000000 ] - [ 0.0008229900000000, 0.0008328400000000, 0.0008408600000000 ] - [ 0.0128363100000000, -0.0149666500000000, -0.0031697600000000 ] - [ 0.0012333800000000, 0.0031633000000000, -0.0018644800000000 ] - [ -0.0016020400000000, -0.0006306900000000, -0.0079299100000000 ] - [ -0.0008256100000000, 0.0009867000000000, -0.0014972000000000 ] - [ 0.0014205200000000, 0.0009826100000000, -0.0072969700000000 ] - [ 0.0012446900000000, -0.0005736700000000, -0.0036177500000000 ] - [ 0.0023411600000000, 0.0018885400000000, 0.0042906600000000 ] - [ 0.0007189800000000, -0.0001844000000000, 0.0034425400000000 ] - [ 0.0130485700000000, 0.0212231300000000, -0.0462481000000000 ] - [ -0.0003468200000000, -0.0010574200000000, 0.0005716200000000 ] - [ 0.0024256600000000, 0.0036931700000000, 0.0048332500000000 ] - [ 0.0008648400000000, -0.0011699900000000, 0.0014784800000000 ] - [ 0.0110391500000000, 0.0108430300000000, -0.0164668200000000 ] - [ 0.0000404000000000, -0.0016520200000000, -0.0008638700000000 ] - [ 0.0025143700000000, -0.0202462200000000, -0.0049172400000000 ] - [ -0.0006816700000000, 0.0071880600000000, 0.0007690600000000 ] - [ -0.0101454900000000, -0.0018613800000000, -0.0105552300000000 ] - [ -0.0001860700000000, 0.0006887400000000, -0.0009648400000000 ]- atom: 81 displacement: [ 0.0099999993424133, 0.0000000000000000, 0.0000036265317747 ] forces: - [ -0.0059232400000000, -0.0003019900000000, -0.0005539100000000 ] - [ -0.0005310700000000, -0.0003673300000000, -0.0001271400000000 ] - [ -0.0004443900000000, -0.0002582000000000, 0.0003248900000000 ] - [ -0.0073948500000000, -0.0006431700000000, 0.0011859600000000 ] - [ 0.0011419300000000, 0.0005557700000000, 0.0007779400000000 ] - [ 0.0009870800000000, 0.0006803500000000, 0.0000066800000000 ] - [ 0.0111690000000000, 0.0001647000000000, 0.0030595300000000 ] - [ 0.0003255800000000, 0.0005581900000000, -0.0001644900000000 ] - [ -0.0020175500000000, 0.0038253500000000, -0.0060016300000000 ] - [ 0.0000246300000000, -0.0001918200000000, 0.0002011500000000 ] - [ -0.0002793200000000, -0.0002990300000000, 0.0001076200000000 ] - [ 0.0001833400000000, 0.0022072400000000, 0.0010583900000000 ] - [ -0.0008468200000000, 0.0010684900000000, 0.0000857600000000 ] - [ -0.0002383700000000, -0.0028560500000000, 0.0023795600000000 ] - [ 0.0000666500000000, -0.0002960300000000, -0.0020433100000000 ] - [ 0.0001231900000000, 0.0004432600000000, -0.0001280500000000 ] - [ -0.0000069500000000, 0.0029666500000000, -0.0006598000000000 ] - [ -0.0011170400000000, -0.0018034600000000, -0.0020759100000000 ] - [ 0.0092330400000000, -0.0006262200000000, -0.0039826300000000 ] - [ 0.0001823800000000, -0.0001428500000000, 0.0006046700000000 ] - [ 0.0005584700000000, 0.0016531500000000, 0.0026749800000000 ] - [ 0.0002292800000000, -0.0002427700000000, 0.0005141900000000 ] - [ -0.0000231000000000, -0.0000793900000000, -0.0007830700000000 ] - [ -0.0007792700000000, 0.0022225100000000, -0.0035029600000000 ] - [ 0.0266929900000000, 0.0036868700000000, 0.0053965700000000 ] - [ -0.0003043800000000, -0.0003118400000000, 0.0000607800000000 ] - [ 0.0000332300000000, -0.0002254300000000, 0.0000605000000000 ] - [ -0.0000794800000000, -0.0003702100000000, 0.0003038400000000 ] - [ 0.0010264200000000, 0.0002105500000000, -0.0005509400000000 ] - [ 0.0195419800000000, -0.0110860800000000, -0.0002392500000000 ] - [ 0.0000864800000000, 0.0006617800000000, -0.0013472200000000 ] - [ -0.0003059500000000, 0.0004237900000000, -0.0001713800000000 ] - [ 0.0007513700000000, -0.0003687300000000, 0.0000442500000000 ] - [ -0.0000383900000000, -0.0001280800000000, 0.0005038000000000 ] - [ 0.0056005700000000, 0.0015017700000000, -0.0011259200000000 ] - [ 0.0030386200000000, -0.0001292600000000, -0.0007580200000000 ] - [ 0.0000798200000000, 0.0003498600000000, -0.0006732900000000 ] - [ -0.0014081500000000, 0.0005087500000000, 0.0017221800000000 ] - [ -0.0086713300000000, 0.0003173900000000, 0.0047155800000000 ] - [ -0.0012544300000000, 0.0003340500000000, 0.0015474200000000 ] - [ 0.0008428000000000, -0.0009885000000000, 0.0024329200000000 ] - [ 0.0001746300000000, 0.0007106500000000, 0.0009470000000000 ] - [ 0.0007003400000000, 0.0001024500000000, -0.0010266400000000 ] - [ 0.0141916000000000, 0.0011217000000000, 0.0042688900000000 ] - [ -0.0000414100000000, -0.0005453000000000, -0.0010325200000000 ] - [ -0.0000457900000000, 0.0001553900000000, -0.0010357000000000 ] - [ -0.0137154800000000, 0.0023224800000000, 0.0018809000000000 ] - [ -0.0003426600000000, -0.0000202000000000, 0.0005837500000000 ] - [ 0.0000567000000000, 0.0003400100000000, -0.0002039500000000 ] - [ 0.0023588900000000, -0.0015060500000000, -0.0027928700000000 ] - [ 0.0113152900000000, 0.0071390800000000, -0.0083410300000000 ] - [ 0.0026093500000000, 0.0010474300000000, 0.0005245400000000 ] - [ -0.0005285000000000, -0.0002523200000000, 0.0014096200000000 ] - [ 0.0000798000000000, 0.0003864500000000, -0.0000335700000000 ] - [ -0.0042178000000000, -0.0043625900000000, -0.0017353900000000 ] - [ -0.0007709900000000, 0.0014152500000000, -0.0001280000000000 ] - [ 0.0003295000000000, 0.0083681700000000, -0.0075493700000000 ] - [ -0.0003111000000000, -0.0013056100000000, 0.0005357700000000 ] - [ -0.0015542500000000, 0.0021467500000000, -0.0141714000000000 ] - [ -0.0004632100000000, -0.0004470300000000, 0.0005949400000000 ] - [ -0.0006110700000000, 0.0015952200000000, 0.0013651900000000 ] - [ 0.0002284900000000, -0.0017174400000000, 0.0006460200000000 ] - [ 0.0005372700000000, -0.0010920000000000, -0.0010555600000000 ] - [ 0.0078041500000000, 0.0107548700000000, 0.0102224700000000 ] - [ 0.0001851400000000, -0.0000518300000000, -0.0001402000000000 ] - [ 0.0009452300000000, -0.0000821700000000, -0.0014413300000000 ] - [ 0.0115229200000000, -0.0139820100000000, 0.0034607400000000 ] - [ 0.0011467700000000, 0.0008426100000000, -0.0001120000000000 ] - [ -0.0064187700000000, 0.0000542600000000, 0.0044750400000000 ] - [ -0.0205289100000000, 0.0022182100000000, -0.0042723500000000 ] - [ -0.0034116400000000, -0.0001184100000000, 0.0016536000000000 ] - [ -0.0000364200000000, -0.0004296000000000, 0.0003681700000000 ] - [ 0.0002324800000000, -0.0021417100000000, -0.0030437500000000 ] - [ -0.0018392200000000, 0.0020437500000000, -0.0004664800000000 ] - [ -0.0033424700000000, -0.0009203900000000, 0.0099633400000000 ] - [ -0.0002909400000000, -0.0001067700000000, 0.0003321600000000 ] - [ 0.0001964300000000, -0.0001361900000000, -0.0002081100000000 ] - [ 0.0075634900000000, -0.0074047400000000, -0.0087220300000000 ] - [ 0.0412367300000000, 0.0061866100000000, 0.0045055200000000 ] - [ 0.0009031800000000, -0.0005741900000000, -0.0004031900000000 ] - [ -0.1195323700000000, -0.0093264400000000, 0.0044477000000000 ] - [ -0.0001324100000000, -0.0002646400000000, 0.0001056800000000 ] - [ -0.0011371900000000, -0.0002312200000000, 0.0006083700000000 ] - [ -0.0011406800000000, 0.0003061600000000, 0.0003199100000000 ] - [ 0.0007478000000000, 0.0005897900000000, -0.0008347900000000 ] - [ 0.0226182700000000, -0.0057679400000000, 0.0007048100000000 ] - [ 0.0019549500000000, 0.0005968200000000, 0.0000363200000000 ] - [ 0.0005190900000000, -0.0002813200000000, -0.0000904600000000 ]- atom: 81 displacement: [ -0.0099999993424133, 0.0000000000000000, -0.0000036265317747 ] forces: - [ 0.0061196600000000, -0.0007678400000000, 0.0003347200000000 ] - [ 0.0007138400000000, -0.0007060600000000, -0.0001085800000000 ] - [ 0.0002753000000000, -0.0008262400000000, -0.0000767500000000 ] - [ 0.0072386400000000, -0.0004161300000000, -0.0008986200000000 ] - [ -0.0013069900000000, 0.0005248300000000, -0.0005241600000000 ] - [ -0.0011692000000000, 0.0003965100000000, 0.0002262400000000 ] - [ -0.0110239300000000, 0.0008905100000000, -0.0032086900000000 ] - [ -0.0001424600000000, 0.0005209200000000, -0.0000709300000000 ] - [ 0.0017010200000000, -0.0042654700000000, 0.0058393700000000 ] - [ 0.0000436600000000, -0.0002770200000000, -0.0001138000000000 ] - [ 0.0002184300000000, -0.0001565000000000, -0.0002270100000000 ] - [ -0.0002513900000000, -0.0027012100000000, -0.0011490900000000 ] - [ 0.0007455400000000, -0.0005638000000000, -0.0001601200000000 ] - [ 0.0001296400000000, 0.0033577900000000, -0.0024962600000000 ] - [ 0.0000349000000000, 0.0007872900000000, 0.0021046000000000 ] - [ -0.0000484000000000, 0.0000340200000000, 0.0002095900000000 ] - [ -0.0005400300000000, -0.0035978100000000, -0.0004074000000000 ] - [ 0.0005862100000000, 0.0011952600000000, 0.0009861300000000 ] - [ -0.0085432600000000, -0.0000670000000000, 0.0046947600000000 ] - [ 0.0003404700000000, -0.0004558900000000, 0.0004810700000000 ] - [ -0.0000735300000000, -0.0010670100000000, -0.0016069400000000 ] - [ 0.0002958200000000, 0.0008630400000000, 0.0005636200000000 ] - [ -0.0004909700000000, 0.0006710000000000, -0.0003051100000000 ] - [ 0.0002878900000000, -0.0015984200000000, 0.0023750600000000 ] - [ -0.0249205500000000, -0.0043712000000000, -0.0048774500000000 ] - [ -0.0002348700000000, -0.0005723600000000, -0.0001422500000000 ] - [ 0.0005189600000000, -0.0006679900000000, 0.0000272100000000 ] - [ 0.0006316000000000, -0.0005214300000000, -0.0002224400000000 ] - [ -0.0004336800000000, 0.0007153900000000, 0.0006579700000000 ] - [ -0.0186709600000000, 0.0114320700000000, 0.0003177600000000 ] - [ -0.0006473700000000, 0.0002289300000000, 0.0012669700000000 ] - [ -0.0002491800000000, 0.0004647500000000, 0.0000837600000000 ] - [ -0.0011328900000000, -0.0001988000000000, 0.0013864700000000 ] - [ -0.0003539600000000, -0.0004292000000000, 0.0009008900000000 ] - [ -0.0052795000000000, -0.0019873100000000, -0.0001894900000000 ] - [ -0.0026471300000000, -0.0004220600000000, -0.0006415500000000 ] - [ 0.0003204800000000, 0.0002145300000000, -0.0007370800000000 ] - [ 0.0018272000000000, 0.0000338300000000, -0.0031603500000000 ] - [ 0.0082562500000000, 0.0001616400000000, -0.0032526500000000 ] - [ 0.0008511900000000, 0.0002257600000000, -0.0001239200000000 ] - [ -0.0011841500000000, 0.0015298400000000, -0.0010216000000000 ] - [ -0.0005118800000000, -0.0001779400000000, 0.0004826200000000 ] - [ -0.0003982600000000, 0.0004570300000000, -0.0004152200000000 ] - [ -0.0141760100000000, -0.0009987300000000, -0.0058486400000000 ] - [ 0.0003786000000000, 0.0000108400000000, -0.0004093200000000 ] - [ 0.0003820800000000, -0.0006859200000000, -0.0004078800000000 ] - [ 0.0128651500000000, -0.0028295200000000, -0.0002663300000000 ] - [ -0.0000038500000000, -0.0005052900000000, 0.0008466500000000 ] - [ -0.0005409700000000, -0.0008559200000000, 0.0004976200000000 ] - [ -0.0028525400000000, 0.0009992600000000, 0.0031013800000000 ] - [ -0.0109053200000000, -0.0075983100000000, 0.0079743500000000 ] - [ -0.0021322400000000, -0.0015682100000000, -0.0008223600000000 ] - [ 0.0010028300000000, 0.0007681500000000, -0.0017215400000000 ] - [ 0.0004007700000000, 0.0001331300000000, -0.0002606900000000 ] - [ 0.0037285400000000, 0.0047902000000000, 0.0019727500000000 ] - [ 0.0002991500000000, -0.0008794300000000, 0.0004143300000000 ] - [ -0.0013023100000000, -0.0081314300000000, 0.0084905600000000 ] - [ -0.0005668700000000, 0.0015318400000000, 0.0003681800000000 ] - [ 0.0008304000000000, -0.0023887300000000, 0.0152317300000000 ] - [ -0.0004121800000000, 0.0002099700000000, 0.0003078500000000 ] - [ 0.0014517100000000, -0.0018011400000000, -0.0022176000000000 ] - [ 0.0006425200000000, 0.0014815100000000, -0.0015373100000000 ] - [ 0.0003517500000000, 0.0013236700000000, 0.0001666100000000 ] - [ -0.0069014900000000, -0.0106221900000000, -0.0111826000000000 ] - [ -0.0008204200000000, 0.0003222300000000, -0.0002884600000000 ] - [ -0.0015757600000000, 0.0003609000000000, 0.0010275900000000 ] - [ -0.0114546700000000, 0.0139499900000000, -0.0033072000000000 ] - [ -0.0010485400000000, -0.0009207400000000, 0.0004133100000000 ] - [ 0.0058099100000000, -0.0005028100000000, -0.0049334400000000 ] - [ 0.0199209600000000, -0.0023612700000000, 0.0038480500000000 ] - [ 0.0040616300000000, -0.0001580700000000, -0.0012314400000000 ] - [ 0.0006650900000000, 0.0001563400000000, 0.0000635100000000 ] - [ -0.0002679100000000, 0.0022085000000000, 0.0026473500000000 ] - [ 0.0017733500000000, -0.0019771200000000, 0.0001548300000000 ] - [ 0.0032508600000000, 0.0009935700000000, -0.0096067000000000 ] - [ 0.0003719800000000, 0.0001849800000000, -0.0000217000000000 ] - [ -0.0003117800000000, 0.0000458200000000, -0.0001076400000000 ] - [ -0.0077261200000000, 0.0073683700000000, 0.0083550200000000 ] - [ -0.0404087900000000, -0.0056423800000000, -0.0039214300000000 ] - [ -0.0002702900000000, 0.0008329700000000, 0.0008238500000000 ] - [ 0.1182644100000000, 0.0099644100000000, -0.0045096500000000 ] - [ 0.0003830000000000, 0.0001583200000000, -0.0000422200000000 ] - [ 0.0008973100000000, 0.0001373100000000, -0.0006785700000000 ] - [ 0.0008923300000000, -0.0003918500000000, -0.0003860700000000 ] - [ -0.0010018400000000, -0.0004352800000000, 0.0007552200000000 ] - [ -0.0228558500000000, 0.0055719900000000, -0.0007614400000000 ] - [ -0.0017039100000000, -0.0005090200000000, 0.0000409200000000 ] - [ -0.0002668100000000, 0.0003688600000000, 0.0001672900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004137900000000, 0.0020325200000000, 0.0019199200000000 ] - [ -0.0001707900000000, -0.0024261200000000, -0.0010457800000000 ] - [ -0.0000546900000000, -0.0025710400000000, 0.0011218500000000 ] - [ -0.0001131900000000, 0.0022953100000000, -0.0039966500000000 ] - [ -0.0024590900000000, -0.0001524800000000, -0.0049424200000000 ] - [ 0.0010086700000000, -0.0001561300000000, 0.0023959900000000 ] - [ -0.0005470200000000, 0.0093044800000000, -0.0002130200000000 ] - [ 0.0001310500000000, -0.0021462600000000, 0.0000501500000000 ] - [ -0.0000830600000000, 0.0146471800000000, -0.0001388600000000 ] - [ 0.0005193900000000, -0.0053446200000000, 0.0003163200000000 ] - [ -0.0014485900000000, -0.0046447300000000, 0.0040223500000000 ] - [ 0.0004333000000000, -0.0000988900000000, -0.0033531400000000 ] - [ 0.0026306100000000, -0.0064109100000000, -0.0029890700000000 ] - [ -0.0018098400000000, 0.0001283600000000, 0.0055430400000000 ] - [ 0.0007284200000000, 0.0039388500000000, -0.0003058900000000 ] - [ -0.0002524600000000, -0.0025331700000000, 0.0003369900000000 ] - [ 0.0018446500000000, -0.0005135300000000, 0.0021147400000000 ] - [ -0.0013480200000000, -0.0039980800000000, -0.0041681900000000 ] - [ -0.0017622100000000, 0.0166192400000000, 0.0011752600000000 ] - [ 0.0009347000000000, -0.0052828200000000, 0.0003822300000000 ] - [ 0.0021831000000000, 0.0046905900000000, -0.0033403100000000 ] - [ -0.0005399500000000, -0.0030553800000000, 0.0020931300000000 ] - [ -0.0000212300000000, -0.0022866800000000, -0.0016062100000000 ] - [ 0.0000399300000000, 0.0033808200000000, 0.0028463200000000 ] - [ 0.0003272800000000, 0.0125055900000000, -0.0000431100000000 ] - [ -0.0008501600000000, -0.0049993100000000, -0.0000928100000000 ] - [ 0.0009103200000000, -0.0007279300000000, -0.0001317800000000 ] - [ -0.0002795200000000, -0.0004510100000000, 0.0002211000000000 ] - [ -0.0031727100000000, -0.0093616700000000, -0.0006225300000000 ] - [ -0.0024421700000000, 0.0176352100000000, -0.0000138900000000 ] - [ -0.0006861200000000, 0.0026031500000000, 0.0000158600000000 ] - [ -0.0000331900000000, -0.0014462800000000, -0.0001850200000000 ] - [ -0.0002533300000000, 0.0015965700000000, 0.0012374900000000 ] - [ -0.0001750900000000, -0.0021348200000000, 0.0004878700000000 ] - [ 0.0036921500000000, 0.0012888300000000, -0.0090985600000000 ] - [ -0.0021383000000000, -0.0074928700000000, 0.0041427600000000 ] - [ -0.0000963800000000, -0.0018719500000000, 0.0001983300000000 ] - [ 0.0001770600000000, 0.0023336800000000, -0.0019655100000000 ] - [ 0.0017382800000000, 0.0021495700000000, 0.0011397300000000 ] - [ -0.0008182500000000, -0.0035336100000000, 0.0006200700000000 ] - [ -0.0001013600000000, 0.0033615200000000, 0.0018389500000000 ] - [ -0.0004960700000000, -0.0018859700000000, 0.0000936400000000 ] - [ 0.0033294700000000, -0.0075304500000000, 0.0016868500000000 ] - [ 0.0005875100000000, 0.0165029300000000, -0.0003012500000000 ] - [ -0.0002760600000000, -0.0003353800000000, -0.0008744200000000 ] - [ 0.0005267100000000, -0.0005816200000000, -0.0002943200000000 ] - [ -0.0000340800000000, 0.0108626400000000, -0.0003393100000000 ] - [ 0.0000236400000000, -0.0045955400000000, 0.0010767300000000 ] - [ -0.0004178200000000, -0.0027746400000000, 0.0009150600000000 ] - [ -0.0003376900000000, 0.0028480600000000, -0.0017175800000000 ] - [ 0.0057903100000000, 0.0365078800000000, -0.0158957400000000 ] - [ 0.0009900100000000, -0.0105711800000000, -0.0037170500000000 ] - [ 0.0003483600000000, 0.0036149100000000, 0.0004361800000000 ] - [ 0.0002432200000000, -0.0025248800000000, -0.0007556600000000 ] - [ -0.0010989400000000, 0.0016203500000000, -0.0008843600000000 ] - [ 0.0007063300000000, -0.0030370800000000, 0.0013470100000000 ] - [ 0.0080441800000000, -0.0082367700000000, -0.0185799200000000 ] - [ -0.0017738500000000, 0.0053760200000000, 0.0042752300000000 ] - [ 0.0022177900000000, -0.0115589300000000, -0.0018885600000000 ] - [ -0.0001796800000000, 0.0067277800000000, 0.0009509300000000 ] - [ 0.0031074300000000, -0.0003557500000000, 0.0024154000000000 ] - [ -0.0006843400000000, 0.0020536100000000, -0.0033194600000000 ] - [ -0.0004719400000000, 0.0053764800000000, -0.0036177100000000 ] - [ 0.0090603400000000, -0.0071333800000000, 0.0150285200000000 ] - [ -0.0003727700000000, 0.0022495900000000, -0.0002539100000000 ] - [ -0.0004450200000000, -0.0017479300000000, -0.0005810000000000 ] - [ -0.0042432700000000, -0.0042958000000000, -0.0063001000000000 ] - [ 0.0007017300000000, 0.0060941200000000, 0.0017686700000000 ] - [ -0.0025257600000000, 0.0420844500000000, -0.0031031100000000 ] - [ 0.0046435700000000, 0.0479180000000000, 0.0034395700000000 ] - [ 0.0000593600000000, -0.0057494700000000, 0.0002800600000000 ] - [ 0.0003577300000000, 0.0039801900000000, 0.0001123200000000 ] - [ -0.0060972600000000, 0.0044062400000000, 0.0196504000000000 ] - [ 0.0008636100000000, 0.0044965800000000, -0.0077280700000000 ] - [ -0.0011983100000000, -0.0070868400000000, -0.0026671300000000 ] - [ -0.0001455700000000, 0.0045432300000000, 0.0007882600000000 ] - [ 0.0004446700000000, 0.0060383200000000, -0.0017071700000000 ] - [ -0.0027091800000000, -0.0047974700000000, 0.0106139600000000 ] - [ 0.0013886500000000, -0.0063897100000000, 0.0048144700000000 ] - [ 0.0004401000000000, 0.0076006200000000, -0.0008249000000000 ] - [ -0.0097333600000000, -0.1703846900000000, 0.0151202400000000 ] - [ -0.0000858600000000, 0.0136194200000000, -0.0002585100000000 ] - [ -0.0004749800000000, 0.0003157900000000, -0.0008470700000000 ] - [ 0.0000583300000000, 0.0003433900000000, 0.0011914700000000 ] - [ 0.0003927400000000, 0.0063040000000000, 0.0015202000000000 ] - [ -0.0057699400000000, -0.0067676600000000, -0.0074261300000000 ] - [ -0.0004315800000000, -0.0035044300000000, 0.0003993700000000 ] - [ 0.0004491100000000, 0.0034897400000000, -0.0000098100000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005652800000000, -0.0030830800000000, -0.0021728800000000 ] - [ 0.0003348900000000, 0.0013454700000000, 0.0008016800000000 ] - [ -0.0001238000000000, 0.0014990400000000, -0.0008748100000000 ] - [ -0.0000565600000000, -0.0034030700000000, 0.0042549000000000 ] - [ 0.0022820900000000, 0.0012359600000000, 0.0051668300000000 ] - [ -0.0011838000000000, 0.0012232200000000, -0.0021621800000000 ] - [ 0.0007475700000000, -0.0081936900000000, 0.0000165400000000 ] - [ 0.0000318600000000, 0.0032251800000000, -0.0003078800000000 ] - [ 0.0001732200000000, -0.0151655800000000, 0.0001998000000000 ] - [ -0.0004212300000000, 0.0048363200000000, -0.0002123200000000 ] - [ 0.0013635600000000, 0.0041639500000000, -0.0041072700000000 ] - [ -0.0005261300000000, -0.0004117000000000, 0.0032762300000000 ] - [ -0.0027212900000000, 0.0069108900000000, 0.0028852000000000 ] - [ 0.0017414600000000, 0.0003297600000000, -0.0056806700000000 ] - [ -0.0006196700000000, -0.0034178500000000, 0.0004220600000000 ] - [ 0.0003397500000000, 0.0030248500000000, -0.0002440400000000 ] - [ -0.0023392800000000, -0.0000531200000000, -0.0031962800000000 ] - [ 0.0008422700000000, 0.0034012300000000, 0.0030801100000000 ] - [ 0.0022616600000000, -0.0171787500000000, -0.0000436500000000 ] - [ -0.0004215400000000, 0.0046872400000000, 0.0007179000000000 ] - [ -0.0016594700000000, -0.0040479200000000, 0.0044184600000000 ] - [ 0.0010573800000000, 0.0036453300000000, -0.0010116500000000 ] - [ -0.0004970700000000, 0.0028867800000000, 0.0005098000000000 ] - [ -0.0005459600000000, -0.0028375000000000, -0.0039460000000000 ] - [ -0.0009615100000000, -0.0134844100000000, -0.0000952400000000 ] - [ 0.0002724000000000, 0.0040881700000000, -0.0000063300000000 ] - [ -0.0003472400000000, -0.0001613500000000, 0.0002243900000000 ] - [ 0.0008419500000000, -0.0004605300000000, -0.0001309300000000 ] - [ 0.0037231200000000, 0.0102311300000000, 0.0007171200000000 ] - [ 0.0037907500000000, -0.0181389100000000, 0.0000891200000000 ] - [ 0.0001150900000000, -0.0016821100000000, -0.0001126300000000 ] - [ -0.0005269100000000, 0.0023382900000000, 0.0000933200000000 ] - [ -0.0001340200000000, -0.0021864400000000, 0.0002050800000000 ] - [ -0.0002225800000000, 0.0015679900000000, 0.0009285800000000 ] - [ -0.0033924600000000, -0.0011499800000000, 0.0079288100000000 ] - [ 0.0025530100000000, 0.0069439200000000, -0.0055879000000000 ] - [ 0.0004876800000000, 0.0024413300000000, -0.0015980000000000 ] - [ 0.0002248400000000, -0.0017857000000000, 0.0005427500000000 ] - [ -0.0021059400000000, -0.0015158500000000, 0.0002644500000000 ] - [ 0.0004228700000000, 0.0040945300000000, 0.0007957100000000 ] - [ -0.0002281200000000, -0.0027925600000000, -0.0004049000000000 ] - [ 0.0001649600000000, 0.0024205600000000, 0.0013429600000000 ] - [ -0.0029858900000000, 0.0080570400000000, -0.0031033600000000 ] - [ -0.0008307100000000, -0.0169990700000000, -0.0014284600000000 ] - [ 0.0006084900000000, -0.0001915000000000, -0.0005539600000000 ] - [ -0.0001933900000000, 0.0000297600000000, -0.0011361600000000 ] - [ -0.0002883100000000, -0.0114033500000000, 0.0017967500000000 ] - [ -0.0003479100000000, 0.0040506700000000, 0.0003506300000000 ] - [ -0.0000574600000000, 0.0022620700000000, -0.0006153900000000 ] - [ -0.0001434400000000, -0.0033990700000000, 0.0020145100000000 ] - [ -0.0049347700000000, -0.0352263500000000, 0.0144521200000000 ] - [ -0.0005202800000000, 0.0100796300000000, 0.0034389900000000 ] - [ 0.0001253000000000, -0.0031079400000000, -0.0007244300000000 ] - [ 0.0002362400000000, 0.0030463300000000, 0.0004567500000000 ] - [ 0.0006068300000000, -0.0010400200000000, 0.0011877300000000 ] - [ -0.0011882000000000, 0.0035401700000000, -0.0010522300000000 ] - [ -0.0088521900000000, 0.0083698800000000, 0.0193597600000000 ] - [ 0.0009100800000000, -0.0051476400000000, -0.0034049300000000 ] - [ -0.0030136600000000, 0.0113794900000000, 0.0026765900000000 ] - [ -0.0007002600000000, -0.0069518700000000, -0.0000403600000000 ] - [ -0.0022099800000000, 0.0000968400000000, -0.0033119200000000 ] - [ 0.0015704200000000, -0.0022533600000000, 0.0024284700000000 ] - [ 0.0013412700000000, -0.0051568900000000, 0.0026892000000000 ] - [ -0.0082323000000000, 0.0074323600000000, -0.0160017500000000 ] - [ -0.0002496800000000, -0.0019873500000000, -0.0001744400000000 ] - [ -0.0001834200000000, 0.0020538500000000, 0.0001553900000000 ] - [ 0.0043091600000000, 0.0041242900000000, 0.0066078700000000 ] - [ -0.0006293100000000, -0.0061556500000000, -0.0014606900000000 ] - [ 0.0018758800000000, -0.0418472200000000, 0.0026172600000000 ] - [ -0.0053296000000000, -0.0488415000000000, -0.0039615900000000 ] - [ 0.0005730100000000, 0.0054600600000000, 0.0001488800000000 ] - [ 0.0002643900000000, -0.0042531100000000, 0.0003124400000000 ] - [ 0.0059722600000000, -0.0043028500000000, -0.0198286100000000 ] - [ -0.0009531700000000, -0.0044137200000000, 0.0074782100000000 ] - [ 0.0011853800000000, 0.0072166800000000, 0.0028883000000000 ] - [ 0.0002347700000000, -0.0044670000000000, -0.0004705600000000 ] - [ -0.0005184900000000, -0.0061183400000000, 0.0013800300000000 ] - [ 0.0026285200000000, 0.0048257300000000, -0.0109468600000000 ] - [ -0.0007881500000000, 0.0064658100000000, -0.0043765100000000 ] - [ 0.0001823000000000, -0.0073102900000000, 0.0012557700000000 ] - [ 0.0095701700000000, 0.1702884400000000, -0.0134945600000000 ] - [ 0.0003369200000000, -0.0137094900000000, 0.0003369000000000 ] - [ 0.0002198500000000, -0.0004303900000000, 0.0007690700000000 ] - [ -0.0003104900000000, -0.0004050400000000, -0.0012700100000000 ] - [ -0.0006343600000000, -0.0062300500000000, -0.0015747400000000 ] - [ 0.0055632900000000, 0.0069885400000000, 0.0073897100000000 ] - [ 0.0006761600000000, 0.0035782900000000, -0.0003280100000000 ] - [ -0.0001983300000000, -0.0033878700000000, 0.0000819900000000 ]- atom: 81 displacement: [ -0.0046352591237359, 0.0000000000000000, 0.0088608336433895 ] forces: - [ 0.0038314100000000, 0.0028328900000000, -0.0037019300000000 ] - [ 0.0008434800000000, -0.0013827900000000, -0.0003640900000000 ] - [ 0.0000331200000000, -0.0001086300000000, 0.0009103000000000 ] - [ 0.0061342200000000, -0.0046182200000000, 0.0023760300000000 ] - [ -0.0011303200000000, -0.0014991700000000, -0.0026392800000000 ] - [ -0.0009247100000000, 0.0023855700000000, -0.0015145100000000 ] - [ -0.0078837900000000, 0.0015385700000000, 0.0070349900000000 ] - [ -0.0002878300000000, 0.0003029700000000, 0.0002356700000000 ] - [ -0.0025179100000000, 0.0009202600000000, 0.0071122800000000 ] - [ 0.0001163700000000, -0.0004234900000000, 0.0003955800000000 ] - [ 0.0002473000000000, 0.0025118500000000, -0.0016642100000000 ] - [ -0.0002454200000000, -0.0069181400000000, -0.0023541900000000 ] - [ 0.0011479500000000, -0.0028875000000000, -0.0002831700000000 ] - [ 0.0026976800000000, 0.0086425800000000, -0.0022286000000000 ] - [ -0.0038478900000000, -0.0024418700000000, -0.0033844800000000 ] - [ -0.0001639500000000, 0.0005636200000000, -0.0004244200000000 ] - [ -0.0008451400000000, 0.0021750000000000, -0.0014888100000000 ] - [ 0.0001797100000000, -0.0014674400000000, -0.0002648000000000 ] - [ -0.0065797500000000, -0.0027531500000000, 0.0145995300000000 ] - [ 0.0002430800000000, -0.0000930500000000, 0.0007943900000000 ] - [ 0.0028866300000000, -0.0041796200000000, -0.0043860600000000 ] - [ 0.0004858200000000, 0.0022046100000000, 0.0000162700000000 ] - [ -0.0003291400000000, -0.0006651700000000, -0.0004766900000000 ] - [ -0.0038918700000000, 0.0042183600000000, -0.0001639200000000 ] - [ -0.0064644000000000, -0.0015872200000000, 0.0074249400000000 ] - [ 0.0002051300000000, -0.0002444200000000, 0.0006370400000000 ] - [ -0.0000262000000000, -0.0006264600000000, -0.0016223400000000 ] - [ 0.0004011700000000, -0.0005858800000000, -0.0021336500000000 ] - [ 0.0002401500000000, 0.0022456000000000, 0.0036789500000000 ] - [ -0.0070495200000000, 0.0054699200000000, 0.0107658100000000 ] - [ -0.0010777500000000, 0.0006239600000000, -0.0029596500000000 ] - [ -0.0006079000000000, 0.0004442500000000, -0.0007126500000000 ] - [ -0.0008352900000000, 0.0005746000000000, -0.0085663700000000 ] - [ -0.0000004400000000, -0.0005320500000000, -0.0006250000000000 ] - [ -0.0039283600000000, -0.0021765900000000, 0.0107335700000000 ] - [ -0.0017828100000000, -0.0001512700000000, 0.0026665500000000 ] - [ 0.0006802200000000, 0.0004521900000000, -0.0021094100000000 ] - [ 0.0036845300000000, -0.0013268000000000, -0.0099347500000000 ] - [ 0.0011752800000000, 0.0000380600000000, 0.0071035100000000 ] - [ -0.0004199300000000, 0.0000476200000000, 0.0024329500000000 ] - [ -0.0018912500000000, 0.0022471100000000, -0.0067246300000000 ] - [ -0.0006820000000000, -0.0007986200000000, -0.0004317800000000 ] - [ -0.0006586700000000, 0.0009228500000000, 0.0023922300000000 ] - [ -0.0030433800000000, 0.0009312600000000, 0.0081448600000000 ] - [ -0.0001501200000000, -0.0011384700000000, -0.0025529200000000 ] - [ -0.0002667000000000, -0.0001302300000000, -0.0033934200000000 ] - [ 0.0100374100000000, -0.0027708500000000, 0.0070701400000000 ] - [ -0.0000193400000000, -0.0005574700000000, 0.0016728000000000 ] - [ -0.0001575800000000, 0.0003290000000000, -0.0006054500000000 ] - [ -0.0015538600000000, -0.0012054700000000, -0.0048806400000000 ] - [ -0.0120485700000000, -0.0177597300000000, 0.0285970700000000 ] - [ -0.0006717800000000, -0.0011932400000000, 0.0011293200000000 ] - [ 0.0029441600000000, 0.0015838200000000, -0.0063572500000000 ] - [ 0.0005822900000000, 0.0001958800000000, -0.0013186400000000 ] - [ 0.0011820600000000, -0.0009479300000000, 0.0022660000000000 ] - [ 0.0000528300000000, 0.0017709600000000, 0.0015466200000000 ] - [ -0.0060078500000000, -0.0185198600000000, 0.0168282000000000 ] - [ -0.0005628100000000, 0.0034890800000000, -0.0001676700000000 ] - [ -0.0193881100000000, -0.0037461100000000, 0.0243858100000000 ] - [ -0.0003622100000000, 0.0007662100000000, 0.0004760700000000 ] - [ 0.0018682200000000, 0.0036048400000000, 0.0006636800000000 ] - [ 0.0009345700000000, -0.0033648800000000, 0.0006579700000000 ] - [ 0.0006212900000000, -0.0015028700000000, -0.0008909900000000 ] - [ 0.0035836500000000, 0.0063775100000000, 0.0002547900000000 ] - [ -0.0004223500000000, 0.0007486900000000, 0.0018405600000000 ] - [ -0.0016234600000000, 0.0005817200000000, 0.0079229600000000 ] - [ 0.0013520800000000, -0.0059154900000000, -0.0027713800000000 ] - [ -0.0000559200000000, 0.0009585000000000, -0.0009459300000000 ] - [ 0.0072551900000000, -0.0059263300000000, -0.0207674900000000 ] - [ 0.0060219500000000, 0.0031482400000000, -0.0067806300000000 ] - [ 0.0029422200000000, 0.0011506300000000, 0.0119651900000000 ] - [ 0.0006492400000000, 0.0000869500000000, 0.0016818600000000 ] - [ -0.0016346200000000, 0.0088112000000000, 0.0052657400000000 ] - [ 0.0022670300000000, -0.0079342700000000, -0.0000892800000000 ] - [ 0.0198196500000000, -0.0034896600000000, 0.0157806200000000 ] - [ -0.0001292000000000, 0.0003441500000000, 0.0009122500000000 ] - [ -0.0011139700000000, -0.0022382900000000, 0.0002078500000000 ] - [ -0.0150437500000000, 0.0190370400000000, 0.0141203500000000 ] - [ -0.0179641900000000, 0.0079626000000000, -0.0094049700000000 ] - [ 0.0002096000000000, -0.0002962000000000, -0.0017591300000000 ] - [ 0.0590385100000000, 0.0166269900000000, -0.1165737100000000 ] - [ 0.0003134700000000, -0.0002012500000000, -0.0018315500000000 ] - [ 0.0006540000000000, -0.0010389400000000, 0.0048953600000000 ] - [ 0.0009101200000000, 0.0004972700000000, 0.0050256800000000 ] - [ -0.0012364700000000, 0.0011757000000000, -0.0029398500000000 ] - [ -0.0100505200000000, -0.0038998700000000, -0.0110125400000000 ] - [ -0.0007226300000000, -0.0005255600000000, 0.0091828800000000 ] - [ -0.0001711200000000, 0.0002298500000000, 0.0023975900000000 ]- atom: 81 displacement: [ 0.0046352591237359, 0.0000000000000000, -0.0088608336433895 ] forces: - [ -0.0037325200000000, -0.0039275500000000, 0.0034514600000000 ] - [ -0.0006707100000000, 0.0003120200000000, 0.0001128400000000 ] - [ -0.0002124000000000, -0.0009692100000000, -0.0006711600000000 ] - [ -0.0064064000000000, 0.0035670500000000, -0.0021626500000000 ] - [ 0.0009533600000000, 0.0025609600000000, 0.0028883000000000 ] - [ 0.0007409900000000, -0.0012945300000000, 0.0017636100000000 ] - [ 0.0080490000000000, -0.0005196700000000, -0.0061880400000000 ] - [ 0.0004646200000000, 0.0007725000000000, -0.0004701900000000 ] - [ 0.0024452400000000, -0.0013360200000000, -0.0071584500000000 ] - [ -0.0000462700000000, -0.0000556500000000, -0.0003150700000000 ] - [ -0.0003173900000000, -0.0029918400000000, 0.0015488800000000 ] - [ 0.0001699100000000, 0.0065017700000000, 0.0022647300000000 ] - [ -0.0012274700000000, 0.0033683700000000, 0.0002109500000000 ] - [ -0.0027386000000000, -0.0080718300000000, 0.0021311300000000 ] - [ 0.0038990500000000, 0.0029063300000000, 0.0034725500000000 ] - [ 0.0002388200000000, -0.0000785100000000, 0.0005188100000000 ] - [ 0.0003187100000000, -0.0027705000000000, 0.0003875100000000 ] - [ -0.0007096100000000, 0.0008559000000000, -0.0008500800000000 ] - [ 0.0078832200000000, 0.0020103100000000, -0.0151153600000000 ] - [ 0.0002823800000000, -0.0005202400000000, 0.0002835700000000 ] - [ -0.0023434100000000, 0.0047431100000000, 0.0054523400000000 ] - [ 0.0000367200000000, -0.0015818800000000, 0.0010781700000000 ] - [ -0.0001950600000000, 0.0012691600000000, -0.0006020700000000 ] - [ 0.0033356200000000, -0.0035871300000000, -0.0008947300000000 ] - [ 0.0060118700000000, 0.0007272900000000, -0.0074091700000000 ] - [ -0.0007631800000000, -0.0006560700000000, -0.0007210200000000 ] - [ 0.0005761900000000, -0.0002727800000000, 0.0017029800000000 ] - [ 0.0001557200000000, -0.0002979700000000, 0.0022157300000000 ] - [ 0.0003241700000000, -0.0013442000000000, -0.0035796800000000 ] - [ 0.0077670300000000, -0.0047702100000000, -0.0106640900000000 ] - [ 0.0005291600000000, 0.0002581500000000, 0.0028633400000000 ] - [ 0.0000519700000000, 0.0004529100000000, 0.0006220100000000 ] - [ 0.0004381500000000, -0.0011353200000000, 0.0099731600000000 ] - [ -0.0003948800000000, -0.0000308900000000, 0.0020314600000000 ] - [ 0.0042577200000000, 0.0017927800000000, -0.0119797100000000 ] - [ 0.0021600100000000, -0.0004273300000000, -0.0040165000000000 ] - [ -0.0002807100000000, 0.0001066200000000, 0.0006926100000000 ] - [ -0.0032975800000000, 0.0018955700000000, 0.0085339600000000 ] - [ -0.0015689200000000, 0.0005421600000000, -0.0056908600000000 ] - [ 0.0000191800000000, 0.0005008300000000, -0.0010363900000000 ] - [ 0.0015627300000000, -0.0017374000000000, 0.0081931400000000 ] - [ 0.0003495100000000, 0.0013452500000000, 0.0018635700000000 ] - [ 0.0009838900000000, -0.0003802400000000, -0.0038246300000000 ] - [ 0.0033091300000000, -0.0004093700000000, -0.0095708700000000 ] - [ 0.0004880600000000, 0.0005933400000000, 0.0011185500000000 ] - [ 0.0006028700000000, -0.0003974500000000, 0.0019619600000000 ] - [ -0.0106805300000000, 0.0022443000000000, -0.0052937900000000 ] - [ -0.0003121800000000, 0.0000168200000000, -0.0002312000000000 ] - [ -0.0003217800000000, -0.0008468600000000, 0.0008894000000000 ] - [ 0.0011077900000000, 0.0006962000000000, 0.0051652700000000 ] - [ 0.0126771800000000, 0.0181071800000000, -0.0293323800000000 ] - [ 0.0011594800000000, 0.0006239700000000, -0.0014611700000000 ] - [ -0.0024533900000000, -0.0010581900000000, 0.0060512000000000 ] - [ -0.0001019000000000, 0.0003203700000000, 0.0010311100000000 ] - [ -0.0016542300000000, 0.0014928400000000, -0.0019427100000000 ] - [ -0.0005275500000000, -0.0012490500000000, -0.0012269400000000 ] - [ 0.0051887800000000, 0.0190295500000000, -0.0160632100000000 ] - [ -0.0003228600000000, -0.0032900600000000, 0.0011136900000000 ] - [ 0.0182341900000000, 0.0034701800000000, -0.0231321000000000 ] - [ -0.0005132000000000, -0.0009920900000000, 0.0004166700000000 ] - [ -0.0009835100000000, -0.0038052900000000, -0.0015898000000000 ] - [ -0.0000579400000000, 0.0031209400000000, -0.0015832800000000 ] - [ 0.0002573600000000, 0.0017242500000000, -0.0000052200000000 ] - [ -0.0026938900000000, -0.0061403200000000, -0.0010364800000000 ] - [ -0.0002116200000000, -0.0004646300000000, -0.0022679900000000 ] - [ 0.0009933100000000, -0.0003299600000000, -0.0083557000000000 ] - [ -0.0012011900000000, 0.0057707900000000, 0.0031245800000000 ] - [ 0.0001519900000000, -0.0010251400000000, 0.0012837100000000 ] - [ -0.0078616400000000, 0.0055658400000000, 0.0203087800000000 ] - [ -0.0066296500000000, -0.0032006700000000, 0.0063582200000000 ] - [ -0.0023470200000000, -0.0014162300000000, -0.0115501400000000 ] - [ -0.0000210400000000, -0.0003675900000000, -0.0012460300000000 ] - [ 0.0015562800000000, -0.0086458100000000, -0.0056053000000000 ] - [ -0.0023169500000000, 0.0079367400000000, -0.0002595800000000 ] - [ -0.0195852500000000, 0.0035431600000000, -0.0153710800000000 ] - [ 0.0002050200000000, -0.0002707300000000, -0.0006048300000000 ] - [ 0.0010272100000000, 0.0021663100000000, -0.0005130000000000 ] - [ 0.0151419200000000, -0.0193105100000000, -0.0145803300000000 ] - [ 0.0184328900000000, -0.0076972000000000, 0.0098162900000000 ] - [ 0.0004107900000000, 0.0005800300000000, 0.0021702700000000 ] - [ -0.0592126900000000, -0.0176744500000000, 0.1169265000000000 ] - [ -0.0000578500000000, 0.0001290100000000, 0.0018948500000000 ] - [ -0.0009090300000000, 0.0009692400000000, -0.0049505700000000 ] - [ -0.0011718900000000, -0.0006112600000000, -0.0050912800000000 ] - [ 0.0009812000000000, -0.0010898100000000, 0.0028621500000000 ] - [ 0.0097184200000000, 0.0039778700000000, 0.0108853700000000 ] - [ 0.0009803700000000, 0.0006342300000000, -0.0090964300000000 ] - [ 0.0004247100000000, -0.0001525500000000, -0.0023240900000000 ]