# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0d2e960e-4798-48c2-bcea-0009dd479b72/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 Cs2Te13 / Pbcm (57) / materials id 505464](https://mdr.nims.go.jp/datasets/023dc4d8-4eec-44b7-b2cc-669fb2f191c0) ## 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: "Pbcm" number: 57 Hall_symbol: "-P 2c 2b"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.234320350000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.619683070000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.622982230000002 ] # c points: - symbol: Cs # 1 coordinates: [ 0.382580690000000, 0.250000000000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.617419310000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cs # 3 coordinates: [ 0.617419310000000, 0.750000000000000, 0.000000000000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.382580690000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 - symbol: Cs # 5 coordinates: [ 0.129675260000000, 0.525207130000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 6 coordinates: [ 0.129675260000000, 0.974792870000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 7 coordinates: [ 0.870324740000000, 0.025207130000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 8 coordinates: [ 0.870324740000000, 0.474792870000000, 0.250000000000000 ] mass: 132.905452 - symbol: Te # 9 coordinates: [ 0.796592550000000, 0.100781220000000, 0.951225520000000 ] mass: 127.600000 - symbol: Te # 10 coordinates: [ 0.796592550000000, 0.399218780000000, 0.048774480000000 ] mass: 127.600000 - symbol: Te # 11 coordinates: [ 0.203407450000000, 0.600781220000000, 0.548774480000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.203407450000000, 0.899218780000000, 0.451225520000000 ] mass: 127.600000 - symbol: Te # 13 coordinates: [ 0.203407450000000, 0.899218780000000, 0.048774480000000 ] mass: 127.600000 - symbol: Te # 14 coordinates: [ 0.203407450000000, 0.600781220000000, 0.951225520000000 ] mass: 127.600000 - symbol: Te # 15 coordinates: [ 0.796592550000000, 0.399218780000000, 0.451225520000000 ] mass: 127.600000 - symbol: Te # 16 coordinates: [ 0.796592550000000, 0.100781220000000, 0.548774480000000 ] mass: 127.600000 - symbol: Te # 17 coordinates: [ 0.569174600000000, 0.960888910000000, 0.895173380000000 ] mass: 127.600000 - symbol: Te # 18 coordinates: [ 0.569174600000000, 0.539111090000000, 0.104826620000000 ] mass: 127.600000 - symbol: Te # 19 coordinates: [ 0.430825400000000, 0.460888910000000, 0.604826620000000 ] mass: 127.600000 - symbol: Te # 20 coordinates: [ 0.430825400000000, 0.039111090000000, 0.395173380000000 ] mass: 127.600000 - symbol: Te # 21 coordinates: [ 0.430825400000000, 0.039111090000000, 0.104826620000000 ] mass: 127.600000 - symbol: Te # 22 coordinates: [ 0.430825400000000, 0.460888910000000, 0.895173380000000 ] mass: 127.600000 - symbol: Te # 23 coordinates: [ 0.569174600000000, 0.539111090000000, 0.395173380000000 ] mass: 127.600000 - symbol: Te # 24 coordinates: [ 0.569174600000000, 0.960888910000000, 0.604826620000000 ] mass: 127.600000 - symbol: Te # 25 coordinates: [ 0.196530770000000, 0.024989410000000, 0.930418150000000 ] mass: 127.600000 - symbol: Te # 26 coordinates: [ 0.196530770000000, 0.475010590000000, 0.069581850000000 ] mass: 127.600000 - symbol: Te # 27 coordinates: [ 0.803469230000000, 0.524989410000000, 0.569581850000000 ] mass: 127.600000 - symbol: Te # 28 coordinates: [ 0.803469230000000, 0.975010590000000, 0.430418150000000 ] mass: 127.600000 - symbol: Te # 29 coordinates: [ 0.803469230000000, 0.975010590000000, 0.069581850000000 ] mass: 127.600000 - symbol: Te # 30 coordinates: [ 0.803469230000000, 0.524989410000000, 0.930418150000000 ] mass: 127.600000 - symbol: Te # 31 coordinates: [ 0.196530770000000, 0.475010590000000, 0.430418150000000 ] mass: 127.600000 - symbol: Te # 32 coordinates: [ 0.196530770000000, 0.024989410000000, 0.569581850000000 ] mass: 127.600000 - symbol: Te # 33 coordinates: [ 0.246444020000000, 0.169195710000000, 0.834612260000000 ] mass: 127.600000 - symbol: Te # 34 coordinates: [ 0.246444020000000, 0.330804290000000, 0.165387740000000 ] mass: 127.600000 - symbol: Te # 35 coordinates: [ 0.753555980000000, 0.669195710000000, 0.665387740000000 ] mass: 127.600000 - symbol: Te # 36 coordinates: [ 0.753555980000000, 0.830804290000000, 0.334612260000000 ] mass: 127.600000 - symbol: Te # 37 coordinates: [ 0.753555980000000, 0.830804290000000, 0.165387740000000 ] mass: 127.600000 - symbol: Te # 38 coordinates: [ 0.753555980000000, 0.669195710000000, 0.834612260000000 ] mass: 127.600000 - symbol: Te # 39 coordinates: [ 0.246444020000000, 0.330804290000000, 0.334612260000000 ] mass: 127.600000 - symbol: Te # 40 coordinates: [ 0.246444020000000, 0.169195710000000, 0.665387740000000 ] mass: 127.600000 - symbol: Te # 41 coordinates: [ 0.041035690000000, 0.329991280000000, 0.875895600000000 ] mass: 127.600000 - symbol: Te # 42 coordinates: [ 0.041035690000000, 0.170008720000000, 0.124104400000000 ] mass: 127.600000 - symbol: Te # 43 coordinates: [ 0.958964310000000, 0.829991280000000, 0.624104400000000 ] mass: 127.600000 - symbol: Te # 44 coordinates: [ 0.958964310000000, 0.670008720000000, 0.375895600000000 ] mass: 127.600000 - symbol: Te # 45 coordinates: [ 0.958964310000000, 0.670008720000000, 0.124104400000000 ] mass: 127.600000 - symbol: Te # 46 coordinates: [ 0.958964310000000, 0.829991280000000, 0.875895600000000 ] mass: 127.600000 - symbol: Te # 47 coordinates: [ 0.041035690000000, 0.170008720000000, 0.375895600000000 ] mass: 127.600000 - symbol: Te # 48 coordinates: [ 0.041035690000000, 0.329991280000000, 0.624104400000000 ] mass: 127.600000 - symbol: Te # 49 coordinates: [ 0.679786380000000, 0.259468690000000, 0.846890900000000 ] mass: 127.600000 - symbol: Te # 50 coordinates: [ 0.679786380000000, 0.240531310000000, 0.153109100000000 ] mass: 127.600000 - symbol: Te # 51 coordinates: [ 0.320213620000000, 0.759468690000000, 0.653109100000000 ] mass: 127.600000 - symbol: Te # 52 coordinates: [ 0.320213620000000, 0.740531310000000, 0.346890900000000 ] mass: 127.600000 - symbol: Te # 53 coordinates: [ 0.320213620000000, 0.740531310000000, 0.153109100000000 ] mass: 127.600000 - symbol: Te # 54 coordinates: [ 0.320213620000000, 0.759468690000000, 0.846890900000000 ] mass: 127.600000 - symbol: Te # 55 coordinates: [ 0.679786380000000, 0.240531310000000, 0.346890900000000 ] mass: 127.600000 - symbol: Te # 56 coordinates: [ 0.679786380000000, 0.259468690000000, 0.653109100000000 ] mass: 127.600000 - symbol: Te # 57 coordinates: [ 0.594922950000000, 0.382813950000000, 0.750000000000000 ] mass: 127.600000 - symbol: Te # 58 coordinates: [ 0.594922950000000, 0.117186050000000, 0.250000000000000 ] mass: 127.600000 - symbol: Te # 59 coordinates: [ 0.405077050000000, 0.882813950000000, 0.750000000000000 ] mass: 127.600000 - symbol: Te # 60 coordinates: [ 0.405077050000000, 0.617186050000000, 0.250000000000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.138229985903237, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.073423147576958, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.044202837178288 ] # c*unit_cell: lattice: - [ 7.234320350000000, -0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.619683070000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.622982230000002 ] # c points: - symbol: Cs # 1 coordinates: [ 0.382580690000000, 0.250000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.617419310000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.617419310000000, 0.750000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.382580690000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.129675260000000, 0.525207130000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.129675260000000, 0.974792870000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.870324740000000, 0.025207130000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.870324740000000, 0.474792870000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 8 - symbol: Te # 9 coordinates: [ 0.796592550000000, 0.100781220000000, 0.951225520000000 ] mass: 127.600000 reduced_to: 9 - symbol: Te # 10 coordinates: [ 0.796592550000000, 0.399218780000000, 0.048774480000000 ] mass: 127.600000 reduced_to: 10 - symbol: Te # 11 coordinates: [ 0.203407450000000, 0.600781220000000, 0.548774480000000 ] mass: 127.600000 reduced_to: 11 - symbol: Te # 12 coordinates: [ 0.203407450000000, 0.899218780000000, 0.451225520000000 ] mass: 127.600000 reduced_to: 12 - symbol: Te # 13 coordinates: [ 0.203407450000000, 0.899218780000000, 0.048774480000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 14 coordinates: [ 0.203407450000000, 0.600781220000000, 0.951225520000000 ] mass: 127.600000 reduced_to: 14 - symbol: Te # 15 coordinates: [ 0.796592550000000, 0.399218780000000, 0.451225520000000 ] mass: 127.600000 reduced_to: 15 - symbol: Te # 16 coordinates: [ 0.796592550000000, 0.100781220000000, 0.548774480000000 ] mass: 127.600000 reduced_to: 16 - symbol: Te # 17 coordinates: [ 0.569174600000000, 0.960888910000000, 0.895173380000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 18 coordinates: [ 0.569174600000000, 0.539111090000000, 0.104826620000000 ] mass: 127.600000 reduced_to: 18 - symbol: Te # 19 coordinates: [ 0.430825400000000, 0.460888910000000, 0.604826620000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 20 coordinates: [ 0.430825400000000, 0.039111090000000, 0.395173380000000 ] mass: 127.600000 reduced_to: 20 - symbol: Te # 21 coordinates: [ 0.430825400000000, 0.039111090000000, 0.104826620000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.430825400000000, 0.460888910000000, 0.895173380000000 ] mass: 127.600000 reduced_to: 22 - symbol: Te # 23 coordinates: [ 0.569174600000000, 0.539111090000000, 0.395173380000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 24 coordinates: [ 0.569174600000000, 0.960888910000000, 0.604826620000000 ] mass: 127.600000 reduced_to: 24 - symbol: Te # 25 coordinates: [ 0.196530770000000, 0.024989410000000, 0.930418150000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.196530770000000, 0.475010590000000, 0.069581850000000 ] mass: 127.600000 reduced_to: 26 - symbol: Te # 27 coordinates: [ 0.803469230000000, 0.524989410000000, 0.569581850000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.803469230000000, 0.975010590000000, 0.430418150000000 ] mass: 127.600000 reduced_to: 28 - symbol: Te # 29 coordinates: [ 0.803469230000000, 0.975010590000000, 0.069581850000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.803469230000000, 0.524989410000000, 0.930418150000000 ] mass: 127.600000 reduced_to: 30 - symbol: Te # 31 coordinates: [ 0.196530770000000, 0.475010590000000, 0.430418150000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.196530770000000, 0.024989410000000, 0.569581850000000 ] mass: 127.600000 reduced_to: 32 - symbol: Te # 33 coordinates: [ 0.246444020000000, 0.169195710000000, 0.834612260000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.246444020000000, 0.330804290000000, 0.165387740000000 ] mass: 127.600000 reduced_to: 34 - symbol: Te # 35 coordinates: [ 0.753555980000000, 0.669195710000000, 0.665387740000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.753555980000000, 0.830804290000000, 0.334612260000000 ] mass: 127.600000 reduced_to: 36 - symbol: Te # 37 coordinates: [ 0.753555980000000, 0.830804290000000, 0.165387740000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.753555980000000, 0.669195710000000, 0.834612260000000 ] mass: 127.600000 reduced_to: 38 - symbol: Te # 39 coordinates: [ 0.246444020000000, 0.330804290000000, 0.334612260000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.246444020000000, 0.169195710000000, 0.665387740000000 ] mass: 127.600000 reduced_to: 40 - symbol: Te # 41 coordinates: [ 0.041035690000000, 0.329991280000000, 0.875895600000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 42 coordinates: [ 0.041035690000000, 0.170008720000000, 0.124104400000000 ] mass: 127.600000 reduced_to: 42 - symbol: Te # 43 coordinates: [ 0.958964310000000, 0.829991280000000, 0.624104400000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.958964310000000, 0.670008720000000, 0.375895600000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 45 coordinates: [ 0.958964310000000, 0.670008720000000, 0.124104400000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 46 coordinates: [ 0.958964310000000, 0.829991280000000, 0.875895600000000 ] mass: 127.600000 reduced_to: 46 - symbol: Te # 47 coordinates: [ 0.041035690000000, 0.170008720000000, 0.375895600000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 48 coordinates: [ 0.041035690000000, 0.329991280000000, 0.624104400000000 ] mass: 127.600000 reduced_to: 48 - symbol: Te # 49 coordinates: [ 0.679786380000000, 0.259468690000000, 0.846890900000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.679786380000000, 0.240531310000000, 0.153109100000000 ] mass: 127.600000 reduced_to: 50 - symbol: Te # 51 coordinates: [ 0.320213620000000, 0.759468690000000, 0.653109100000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 52 coordinates: [ 0.320213620000000, 0.740531310000000, 0.346890900000000 ] mass: 127.600000 reduced_to: 52 - symbol: Te # 53 coordinates: [ 0.320213620000000, 0.740531310000000, 0.153109100000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.320213620000000, 0.759468690000000, 0.846890900000000 ] mass: 127.600000 reduced_to: 54 - symbol: Te # 55 coordinates: [ 0.679786380000000, 0.240531310000000, 0.346890900000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.679786380000000, 0.259468690000000, 0.653109100000000 ] mass: 127.600000 reduced_to: 56 - symbol: Te # 57 coordinates: [ 0.594922950000000, 0.382813950000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.594922950000000, 0.117186050000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 58 - symbol: Te # 59 coordinates: [ 0.405077050000000, 0.882813950000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.405077050000000, 0.617186050000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 60supercell: lattice: - [ 14.468640700000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.619683070000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.622982230000002 ] # c points: - symbol: Cs # 1 coordinates: [ 0.191290345000000, 0.250000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.691290345000000, 0.250000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.308709655000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 4 coordinates: [ 0.808709655000000, 0.750000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 3 - symbol: Cs # 5 coordinates: [ 0.308709655000000, 0.750000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.808709655000000, 0.750000000000000, 0.000000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 7 coordinates: [ 0.191290345000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.691290345000000, 0.250000000000000, 0.500000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 9 coordinates: [ 0.064837630000000, 0.525207130000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 10 coordinates: [ 0.564837630000000, 0.525207130000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 9 - symbol: Cs # 11 coordinates: [ 0.064837630000000, 0.974792870000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 12 coordinates: [ 0.564837630000000, 0.974792870000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 11 - symbol: Cs # 13 coordinates: [ 0.435162370000000, 0.025207130000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 14 coordinates: [ 0.935162370000000, 0.025207130000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 13 - symbol: Cs # 15 coordinates: [ 0.435162370000000, 0.474792870000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 15 - symbol: Cs # 16 coordinates: [ 0.935162370000000, 0.474792870000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 15 - symbol: Te # 17 coordinates: [ 0.398296275000000, 0.100781220000000, 0.951225520000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 18 coordinates: [ 0.898296275000000, 0.100781220000000, 0.951225520000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 19 coordinates: [ 0.398296275000000, 0.399218780000000, 0.048774480000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 20 coordinates: [ 0.898296275000000, 0.399218780000000, 0.048774480000000 ] mass: 127.600000 reduced_to: 19 - symbol: Te # 21 coordinates: [ 0.101703725000000, 0.600781220000000, 0.548774480000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 22 coordinates: [ 0.601703725000000, 0.600781220000000, 0.548774480000000 ] mass: 127.600000 reduced_to: 21 - symbol: Te # 23 coordinates: [ 0.101703725000000, 0.899218780000000, 0.451225520000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 24 coordinates: [ 0.601703725000000, 0.899218780000000, 0.451225520000000 ] mass: 127.600000 reduced_to: 23 - symbol: Te # 25 coordinates: [ 0.101703725000000, 0.899218780000000, 0.048774480000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 26 coordinates: [ 0.601703725000000, 0.899218780000000, 0.048774480000000 ] mass: 127.600000 reduced_to: 25 - symbol: Te # 27 coordinates: [ 0.101703725000000, 0.600781220000000, 0.951225520000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 28 coordinates: [ 0.601703725000000, 0.600781220000000, 0.951225520000000 ] mass: 127.600000 reduced_to: 27 - symbol: Te # 29 coordinates: [ 0.398296275000000, 0.399218780000000, 0.451225520000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 30 coordinates: [ 0.898296275000000, 0.399218780000000, 0.451225520000000 ] mass: 127.600000 reduced_to: 29 - symbol: Te # 31 coordinates: [ 0.398296275000000, 0.100781220000000, 0.548774480000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 32 coordinates: [ 0.898296275000000, 0.100781220000000, 0.548774480000000 ] mass: 127.600000 reduced_to: 31 - symbol: Te # 33 coordinates: [ 0.284587300000000, 0.960888910000000, 0.895173380000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 34 coordinates: [ 0.784587300000000, 0.960888910000000, 0.895173380000000 ] mass: 127.600000 reduced_to: 33 - symbol: Te # 35 coordinates: [ 0.284587300000000, 0.539111090000000, 0.104826620000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 36 coordinates: [ 0.784587300000000, 0.539111090000000, 0.104826620000000 ] mass: 127.600000 reduced_to: 35 - symbol: Te # 37 coordinates: [ 0.215412700000000, 0.460888910000000, 0.604826620000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 38 coordinates: [ 0.715412700000000, 0.460888910000000, 0.604826620000000 ] mass: 127.600000 reduced_to: 37 - symbol: Te # 39 coordinates: [ 0.215412700000000, 0.039111090000000, 0.395173380000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 40 coordinates: [ 0.715412700000000, 0.039111090000000, 0.395173380000000 ] mass: 127.600000 reduced_to: 39 - symbol: Te # 41 coordinates: [ 0.215412700000000, 0.039111090000000, 0.104826620000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 42 coordinates: [ 0.715412700000000, 0.039111090000000, 0.104826620000000 ] mass: 127.600000 reduced_to: 41 - symbol: Te # 43 coordinates: [ 0.215412700000000, 0.460888910000000, 0.895173380000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.715412700000000, 0.460888910000000, 0.895173380000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 45 coordinates: [ 0.284587300000000, 0.539111090000000, 0.395173380000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 46 coordinates: [ 0.784587300000000, 0.539111090000000, 0.395173380000000 ] mass: 127.600000 reduced_to: 45 - symbol: Te # 47 coordinates: [ 0.284587300000000, 0.960888910000000, 0.604826620000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 48 coordinates: [ 0.784587300000000, 0.960888910000000, 0.604826620000000 ] mass: 127.600000 reduced_to: 47 - symbol: Te # 49 coordinates: [ 0.098265385000000, 0.024989410000000, 0.930418150000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 50 coordinates: [ 0.598265385000000, 0.024989410000000, 0.930418150000000 ] mass: 127.600000 reduced_to: 49 - symbol: Te # 51 coordinates: [ 0.098265385000000, 0.475010590000000, 0.069581850000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 52 coordinates: [ 0.598265385000000, 0.475010590000000, 0.069581850000000 ] mass: 127.600000 reduced_to: 51 - symbol: Te # 53 coordinates: [ 0.401734615000000, 0.524989410000000, 0.569581850000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 54 coordinates: [ 0.901734615000000, 0.524989410000000, 0.569581850000000 ] mass: 127.600000 reduced_to: 53 - symbol: Te # 55 coordinates: [ 0.401734615000000, 0.975010590000000, 0.430418150000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 56 coordinates: [ 0.901734615000000, 0.975010590000000, 0.430418150000000 ] mass: 127.600000 reduced_to: 55 - symbol: Te # 57 coordinates: [ 0.401734615000000, 0.975010590000000, 0.069581850000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 58 coordinates: [ 0.901734615000000, 0.975010590000000, 0.069581850000000 ] mass: 127.600000 reduced_to: 57 - symbol: Te # 59 coordinates: [ 0.401734615000000, 0.524989410000000, 0.930418150000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 60 coordinates: [ 0.901734615000000, 0.524989410000000, 0.930418150000000 ] mass: 127.600000 reduced_to: 59 - symbol: Te # 61 coordinates: [ 0.098265385000000, 0.475010590000000, 0.430418150000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 62 coordinates: [ 0.598265385000000, 0.475010590000000, 0.430418150000000 ] mass: 127.600000 reduced_to: 61 - symbol: Te # 63 coordinates: [ 0.098265385000000, 0.024989410000000, 0.569581850000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 64 coordinates: [ 0.598265385000000, 0.024989410000000, 0.569581850000000 ] mass: 127.600000 reduced_to: 63 - symbol: Te # 65 coordinates: [ 0.123222010000000, 0.169195710000000, 0.834612260000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 66 coordinates: [ 0.623222010000000, 0.169195710000000, 0.834612260000000 ] mass: 127.600000 reduced_to: 65 - symbol: Te # 67 coordinates: [ 0.123222010000000, 0.330804290000000, 0.165387740000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 68 coordinates: [ 0.623222010000000, 0.330804290000000, 0.165387740000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 69 coordinates: [ 0.376777990000000, 0.669195710000000, 0.665387740000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 70 coordinates: [ 0.876777990000000, 0.669195710000000, 0.665387740000000 ] mass: 127.600000 reduced_to: 69 - symbol: Te # 71 coordinates: [ 0.376777990000000, 0.830804290000000, 0.334612260000000 ] mass: 127.600000 reduced_to: 71 - symbol: Te # 72 coordinates: [ 0.876777990000000, 0.830804290000000, 0.334612260000000 ] mass: 127.600000 reduced_to: 71 - symbol: Te # 73 coordinates: [ 0.376777990000000, 0.830804290000000, 0.165387740000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.876777990000000, 0.830804290000000, 0.165387740000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 75 coordinates: [ 0.376777990000000, 0.669195710000000, 0.834612260000000 ] mass: 127.600000 reduced_to: 75 - symbol: Te # 76 coordinates: [ 0.876777990000000, 0.669195710000000, 0.834612260000000 ] mass: 127.600000 reduced_to: 75 - symbol: Te # 77 coordinates: [ 0.123222010000000, 0.330804290000000, 0.334612260000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 78 coordinates: [ 0.623222010000000, 0.330804290000000, 0.334612260000000 ] mass: 127.600000 reduced_to: 77 - symbol: Te # 79 coordinates: [ 0.123222010000000, 0.169195710000000, 0.665387740000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 80 coordinates: [ 0.623222010000000, 0.169195710000000, 0.665387740000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 81 coordinates: [ 0.020517845000000, 0.329991280000000, 0.875895600000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 82 coordinates: [ 0.520517845000000, 0.329991280000000, 0.875895600000000 ] mass: 127.600000 reduced_to: 81 - symbol: Te # 83 coordinates: [ 0.020517845000000, 0.170008720000000, 0.124104400000000 ] mass: 127.600000 reduced_to: 83 - symbol: Te # 84 coordinates: [ 0.520517845000000, 0.170008720000000, 0.124104400000000 ] mass: 127.600000 reduced_to: 83 - symbol: Te # 85 coordinates: [ 0.479482155000000, 0.829991280000000, 0.624104400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 86 coordinates: [ 0.979482155000000, 0.829991280000000, 0.624104400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 87 coordinates: [ 0.479482155000000, 0.670008720000000, 0.375895600000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 88 coordinates: [ 0.979482155000000, 0.670008720000000, 0.375895600000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 89 coordinates: [ 0.479482155000000, 0.670008720000000, 0.124104400000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 90 coordinates: [ 0.979482155000000, 0.670008720000000, 0.124104400000000 ] mass: 127.600000 reduced_to: 89 - symbol: Te # 91 coordinates: [ 0.479482155000000, 0.829991280000000, 0.875895600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 92 coordinates: [ 0.979482155000000, 0.829991280000000, 0.875895600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 93 coordinates: [ 0.020517845000000, 0.170008720000000, 0.375895600000000 ] mass: 127.600000 reduced_to: 93 - symbol: Te # 94 coordinates: [ 0.520517845000000, 0.170008720000000, 0.375895600000000 ] mass: 127.600000 reduced_to: 93 - symbol: Te # 95 coordinates: [ 0.020517845000000, 0.329991280000000, 0.624104400000000 ] mass: 127.600000 reduced_to: 95 - symbol: Te # 96 coordinates: [ 0.520517845000000, 0.329991280000000, 0.624104400000000 ] mass: 127.600000 reduced_to: 95 - symbol: Te # 97 coordinates: [ 0.339893190000000, 0.259468690000000, 0.846890900000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 98 coordinates: [ 0.839893190000000, 0.259468690000000, 0.846890900000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 99 coordinates: [ 0.339893190000000, 0.240531310000000, 0.153109100000000 ] mass: 127.600000 reduced_to: 99 - symbol: Te # 100 coordinates: [ 0.839893190000000, 0.240531310000000, 0.153109100000000 ] mass: 127.600000 reduced_to: 99 - symbol: Te # 101 coordinates: [ 0.160106810000000, 0.759468690000000, 0.653109100000000 ] mass: 127.600000 reduced_to: 101 - symbol: Te # 102 coordinates: [ 0.660106810000000, 0.759468690000000, 0.653109100000000 ] mass: 127.600000 reduced_to: 101 - symbol: Te # 103 coordinates: [ 0.160106810000000, 0.740531310000000, 0.346890900000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 104 coordinates: [ 0.660106810000000, 0.740531310000000, 0.346890900000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 105 coordinates: [ 0.160106810000000, 0.740531310000000, 0.153109100000000 ] mass: 127.600000 reduced_to: 105 - symbol: Te # 106 coordinates: [ 0.660106810000000, 0.740531310000000, 0.153109100000000 ] mass: 127.600000 reduced_to: 105 - symbol: Te # 107 coordinates: [ 0.160106810000000, 0.759468690000000, 0.846890900000000 ] mass: 127.600000 reduced_to: 107 - symbol: Te # 108 coordinates: [ 0.660106810000000, 0.759468690000000, 0.846890900000000 ] mass: 127.600000 reduced_to: 107 - symbol: Te # 109 coordinates: [ 0.339893190000000, 0.240531310000000, 0.346890900000000 ] mass: 127.600000 reduced_to: 109 - symbol: Te # 110 coordinates: [ 0.839893190000000, 0.240531310000000, 0.346890900000000 ] mass: 127.600000 reduced_to: 109 - symbol: Te # 111 coordinates: [ 0.339893190000000, 0.259468690000000, 0.653109100000000 ] mass: 127.600000 reduced_to: 111 - symbol: Te # 112 coordinates: [ 0.839893190000000, 0.259468690000000, 0.653109100000000 ] mass: 127.600000 reduced_to: 111 - symbol: Te # 113 coordinates: [ 0.297461475000000, 0.382813950000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 113 - symbol: Te # 114 coordinates: [ 0.797461475000000, 0.382813950000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 113 - symbol: Te # 115 coordinates: [ 0.297461475000000, 0.117186050000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 115 - symbol: Te # 116 coordinates: [ 0.797461475000000, 0.117186050000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 115 - symbol: Te # 117 coordinates: [ 0.202538525000000, 0.882813950000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 117 - symbol: Te # 118 coordinates: [ 0.702538525000000, 0.882813950000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 117 - symbol: Te # 119 coordinates: [ 0.202538525000000, 0.617186050000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 119 - symbol: Te # 120 coordinates: [ 0.702538525000000, 0.617186050000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 119displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0184740500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006606600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008184700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008337500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008375600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008726600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008336500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007693300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0088641700000000, 0.0070383000000000, 0.0000255200000000 ] - [ -0.0087901300000000, 0.0070960000000000, -0.0000033200000000 ] - [ -0.0088641700000000, -0.0070383000000000, -0.0000255200000000 ] - [ -0.0087901300000000, -0.0070960000000000, 0.0000033200000000 ] - [ 0.0088848800000000, 0.0070679100000000, -0.0000309600000000 ] - [ 0.0088866300000000, 0.0071307500000000, 0.0000401800000000 ] - [ 0.0088848800000000, -0.0070679100000000, 0.0000309600000000 ] - [ 0.0088866300000000, -0.0071307500000000, -0.0000401800000000 ] - [ 0.0236397400000000, 0.1840329700000000, 0.0845808900000000 ] - [ 0.0196809400000000, 0.1865400500000000, 0.0860651400000000 ] - [ 0.0236397400000000, -0.1840329700000000, -0.0845808900000000 ] - [ 0.0196809400000000, -0.1865400500000000, -0.0860651400000000 ] - [ -0.0193361100000000, 0.1867892800000000, -0.0862004500000000 ] - [ -0.0193490000000000, 0.1867832200000000, -0.0862365800000000 ] - [ -0.0193361100000000, -0.1867892800000000, 0.0862004500000000 ] - [ -0.0193490000000000, -0.1867832200000000, 0.0862365800000000 ] - [ -0.0192238800000000, -0.1868493700000000, -0.0860017200000000 ] - [ -0.0192583700000000, -0.1867926800000000, -0.0862331700000000 ] - [ -0.0192238800000000, 0.1868493700000000, 0.0860017200000000 ] - [ -0.0192583700000000, 0.1867926800000000, 0.0862331700000000 ] - [ 0.0193460200000000, -0.1868211900000000, 0.0861988100000000 ] - [ 0.0194080300000000, -0.1867887000000000, 0.0862510600000000 ] - [ 0.0193460200000000, 0.1868211900000000, -0.0861988100000000 ] - [ 0.0194080300000000, 0.1867887000000000, -0.0862510600000000 ] - [ -0.0381226900000000, -0.0864501200000000, -0.1323621200000000 ] - [ -0.0378257100000000, -0.0858260000000000, -0.1320882500000000 ] - [ -0.0381226900000000, 0.0864501200000000, 0.1323621200000000 ] - [ -0.0378257100000000, 0.0858260000000000, 0.1320882500000000 ] - [ 0.0376431600000000, -0.0862340800000000, 0.1323937500000000 ] - [ 0.0376215100000000, -0.0862211000000000, 0.1323300600000000 ] - [ 0.0376431600000000, 0.0862340800000000, -0.1323937500000000 ] - [ 0.0376215100000000, 0.0862211000000000, -0.1323300600000000 ] - [ 0.0370346900000000, 0.0852415500000000, 0.1328569100000000 ] - [ 0.0376067300000000, 0.0862626400000000, 0.1323790100000000 ] - [ 0.0370346900000000, -0.0852415500000000, -0.1328569100000000 ] - [ 0.0376067300000000, -0.0862626400000000, -0.1323790100000000 ] - [ -0.0376056600000000, 0.0862159500000000, -0.1323310700000000 ] - [ -0.0376425400000000, 0.0862317800000000, -0.1323360300000000 ] - [ -0.0376056600000000, -0.0862159500000000, 0.1323310700000000 ] - [ -0.0376425400000000, -0.0862317800000000, 0.1323360300000000 ] - [ 0.0200738500000000, 0.0238495600000000, -0.0431535900000000 ] - [ 0.0203630200000000, 0.0198419100000000, -0.0448159700000000 ] - [ 0.0200738500000000, -0.0238495600000000, 0.0431535900000000 ] - [ 0.0203630200000000, -0.0198419100000000, 0.0448159700000000 ] - [ -0.0194492700000000, 0.0201318200000000, 0.0447526500000000 ] - [ -0.0194842700000000, 0.0201302900000000, 0.0446805600000000 ] - [ -0.0194492700000000, -0.0201318200000000, -0.0447526500000000 ] - [ -0.0194842700000000, -0.0201302900000000, -0.0446805600000000 ] - [ -0.0194266100000000, -0.0204712100000000, 0.0452214700000000 ] - [ -0.0193948000000000, -0.0199127900000000, 0.0445410000000000 ] - [ -0.0194266100000000, 0.0204712100000000, -0.0452214700000000 ] - [ -0.0193948000000000, 0.0199127900000000, -0.0445410000000000 ] - [ 0.0195335100000000, -0.0201129100000000, -0.0446812800000000 ] - [ 0.0195528000000000, -0.0201202000000000, -0.0447296100000000 ] - [ 0.0195335100000000, 0.0201129100000000, 0.0446812800000000 ] - [ 0.0195528000000000, 0.0201202000000000, 0.0447296100000000 ] - [ 0.0324333400000000, -0.1865923700000000, 0.0148732500000000 ] - [ 0.0322914600000000, -0.1867395900000000, 0.0143763300000000 ] - [ 0.0324333400000000, 0.1865923700000000, -0.0148732500000000 ] - [ 0.0322914600000000, 0.1867395900000000, -0.0143763300000000 ] - [ -0.0324912900000000, -0.1867613200000000, -0.0144040400000000 ] - [ -0.0324623900000000, -0.1867169100000000, -0.0143476700000000 ] - [ -0.0324912900000000, 0.1867613200000000, 0.0144040400000000 ] - [ -0.0324623900000000, 0.1867169100000000, 0.0143476700000000 ] - [ -0.0325046000000000, 0.1868321000000000, -0.0145966400000000 ] - [ -0.0325416200000000, 0.1867526700000000, -0.0142649500000000 ] - [ -0.0325046000000000, -0.1868321000000000, 0.0145966400000000 ] - [ -0.0325416200000000, -0.1867526700000000, 0.0142649500000000 ] - [ 0.0324996300000000, 0.1867190200000000, 0.0142694800000000 ] - [ 0.0325160000000000, 0.1867249700000000, 0.0143483800000000 ] - [ 0.0324996300000000, -0.1867190200000000, -0.0142694800000000 ] - [ 0.0325160000000000, -0.1867249700000000, -0.0143483800000000 ] - [ -0.0572121900000000, 0.0427034700000000, 0.0678125100000000 ] - [ -0.0584472800000000, 0.0439255000000000, 0.0655438900000000 ] - [ -0.0572121900000000, -0.0427034700000000, -0.0678125100000000 ] - [ -0.0584472800000000, -0.0439255000000000, -0.0655438900000000 ] - [ 0.0588465200000000, 0.0439164100000000, -0.0654799300000000 ] - [ 0.0588099700000000, 0.0438842100000000, -0.0655056800000000 ] - [ 0.0588465200000000, -0.0439164100000000, 0.0654799300000000 ] - [ 0.0588099700000000, -0.0438842100000000, 0.0655056800000000 ] - [ 0.0589917900000000, -0.0438152100000000, -0.0654024200000000 ] - [ 0.0589752300000000, -0.0440596500000000, -0.0656951100000000 ] - [ 0.0589917900000000, 0.0438152100000000, 0.0654024200000000 ] - [ 0.0589752300000000, 0.0440596500000000, 0.0656951100000000 ] - [ -0.0587834800000000, -0.0439119400000000, 0.0655210800000000 ] - [ -0.0587397900000000, -0.0439190300000000, 0.0654927700000000 ] - [ -0.0587834800000000, 0.0439119400000000, -0.0655210800000000 ] - [ -0.0587397900000000, 0.0439190300000000, -0.0654927700000000 ] - [ 0.0602208100000000, -0.0167605500000000, 0.0003202600000000 ] - [ 0.0601536500000000, -0.0160926400000000, 0.0013947500000000 ] - [ 0.0602208100000000, 0.0167605500000000, -0.0003202600000000 ] - [ 0.0601536500000000, 0.0160926400000000, -0.0013947500000000 ] - [ -0.0596504700000000, -0.0163278200000000, -0.0014643400000000 ] - [ -0.0595822200000000, -0.0163194100000000, -0.0014313300000000 ] - [ -0.0596504700000000, 0.0163278200000000, 0.0014643400000000 ] - [ -0.0595822200000000, 0.0163194100000000, 0.0014313300000000 ] - [ -0.0595471500000000, 0.0162400900000000, -0.0016344300000000 ] - [ -0.0597097100000000, 0.0164358800000000, -0.0014217400000000 ] - [ -0.0595471500000000, -0.0162400900000000, 0.0016344300000000 ] - [ -0.0597097100000000, -0.0164358800000000, 0.0014217400000000 ] - [ 0.0596726500000000, 0.0163976400000000, 0.0012748800000000 ] - [ 0.0596114100000000, 0.0162591200000000, 0.0013890400000000 ] - [ 0.0596726500000000, -0.0163976400000000, -0.0012748800000000 ] - [ 0.0596114100000000, -0.0162591200000000, -0.0013890400000000 ] - [ 0.0141021800000000, 0.0238784000000000, -0.0001204100000000 ] - [ 0.0142317200000000, 0.0235475800000000, -0.0000538800000000 ] - [ 0.0141021800000000, -0.0238784000000000, 0.0001204100000000 ] - [ 0.0142317200000000, -0.0235475800000000, 0.0000538800000000 ] - [ -0.0142091600000000, 0.0236770800000000, -0.0000966000000000 ] - [ -0.0142896800000000, 0.0235481300000000, 0.0000267900000000 ] - [ -0.0142091600000000, -0.0236770800000000, 0.0000966000000000 ] - [ -0.0142896800000000, -0.0235481300000000, -0.0000267900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0167108400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009496400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007915200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007764100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007721700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0007379100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0007769400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008410600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0088413300000000, 0.0071445400000000, -0.0000251900000000 ] - [ -0.0089143400000000, 0.0070872200000000, 0.0000036400000000 ] - [ -0.0088413300000000, -0.0071445400000000, 0.0000251900000000 ] - [ -0.0089143400000000, -0.0070872200000000, -0.0000036400000000 ] - [ 0.0088193400000000, 0.0071152900000000, 0.0000312600000000 ] - [ 0.0088178800000000, 0.0070523000000000, -0.0000395200000000 ] - [ 0.0088193400000000, -0.0071152900000000, -0.0000312600000000 ] - [ 0.0088178800000000, -0.0070523000000000, 0.0000395200000000 ] - [ 0.0152029600000000, 0.1894505500000000, 0.0878165100000000 ] - [ 0.0190440500000000, 0.1870374000000000, 0.0863833200000000 ] - [ 0.0152029600000000, -0.1894505500000000, -0.0878165100000000 ] - [ 0.0190440500000000, -0.1870374000000000, -0.0863833200000000 ] - [ -0.0193906300000000, 0.1867872600000000, -0.0862465200000000 ] - [ -0.0193776300000000, 0.1867928200000000, -0.0862105400000000 ] - [ -0.0193906300000000, -0.1867872600000000, 0.0862465200000000 ] - [ -0.0193776300000000, -0.1867928200000000, 0.0862105400000000 ] - [ -0.0195004700000000, -0.1867240900000000, -0.0864482300000000 ] - [ -0.0194642800000000, -0.1867829300000000, -0.0862139800000000 ] - [ -0.0195004700000000, 0.1867240900000000, 0.0864482300000000 ] - [ -0.0194642800000000, 0.1867829300000000, 0.0862139800000000 ] - [ 0.0193797500000000, -0.1867550600000000, 0.0862479200000000 ] - [ 0.0193183200000000, -0.1867872400000000, 0.0861959400000000 ] - [ 0.0193797500000000, 0.1867550600000000, -0.0862479200000000 ] - [ 0.0193183200000000, 0.1867872400000000, -0.0861959400000000 ] - [ -0.0371106600000000, -0.0860163900000000, -0.1323441400000000 ] - [ -0.0373975700000000, -0.0866414000000000, -0.1326192200000000 ] - [ -0.0371106600000000, 0.0860163900000000, 0.1323441400000000 ] - [ -0.0373975700000000, 0.0866414000000000, 0.1326192200000000 ] - [ 0.0375826600000000, -0.0862294100000000, 0.1323113600000000 ] - [ 0.0376042800000000, -0.0862420300000000, 0.1323750600000000 ] - [ 0.0375826600000000, 0.0862294100000000, -0.1323113600000000 ] - [ 0.0376042800000000, 0.0862420300000000, -0.1323750600000000 ] - [ 0.0381863400000000, 0.0872395700000000, 0.1318289800000000 ] - [ 0.0376194000000000, 0.0861997600000000, 0.1323251300000000 ] - [ 0.0381863400000000, -0.0872395700000000, -0.1318289800000000 ] - [ 0.0376194000000000, -0.0861997600000000, -0.1323251300000000 ] - [ -0.0376201800000000, 0.0862478300000000, -0.1323735000000000 ] - [ -0.0375838000000000, 0.0862315000000000, -0.1323689900000000 ] - [ -0.0376201800000000, -0.0862478300000000, 0.1323735000000000 ] - [ -0.0375838000000000, -0.0862315000000000, 0.1323689900000000 ] - [ 0.0189064000000000, 0.0163544600000000, -0.0462606800000000 ] - [ 0.0185920500000000, 0.0203927900000000, -0.0445814400000000 ] - [ 0.0189064000000000, -0.0163544600000000, 0.0462606800000000 ] - [ 0.0185920500000000, -0.0203927900000000, 0.0445814400000000 ] - [ -0.0195200200000000, 0.0201020400000000, 0.0446485800000000 ] - [ -0.0194849100000000, 0.0201037300000000, 0.0447202700000000 ] - [ -0.0195200200000000, -0.0201020400000000, -0.0446485800000000 ] - [ -0.0194849100000000, -0.0201037300000000, -0.0447202700000000 ] - [ -0.0195458100000000, -0.0197641400000000, 0.0441842300000000 ] - [ -0.0195760600000000, -0.0203221000000000, 0.0448625300000000 ] - [ -0.0195458100000000, 0.0197641400000000, -0.0441842300000000 ] - [ -0.0195760600000000, 0.0203221000000000, -0.0448625300000000 ] - [ 0.0194354100000000, -0.0201214800000000, -0.0447195300000000 ] - [ 0.0194157800000000, -0.0201134900000000, -0.0446718200000000 ] - [ 0.0194354100000000, 0.0201214800000000, 0.0447195300000000 ] - [ 0.0194157800000000, 0.0201134900000000, 0.0446718200000000 ] - [ 0.0325529400000000, -0.1868499400000000, 0.0138489900000000 ] - [ 0.0326968900000000, -0.1867047600000000, 0.0143414600000000 ] - [ 0.0325529400000000, 0.1868499400000000, -0.0138489900000000 ] - [ 0.0326968900000000, 0.1867047600000000, -0.0143414600000000 ] - [ -0.0324940400000000, -0.1866832200000000, -0.0143157800000000 ] - [ -0.0325229100000000, -0.1867278200000000, -0.0143721000000000 ] - [ -0.0324940400000000, 0.1866832200000000, 0.0143157800000000 ] - [ -0.0325229100000000, 0.1867278200000000, 0.0143721000000000 ] - [ -0.0324797000000000, 0.1866157100000000, -0.0141236600000000 ] - [ -0.0324457900000000, 0.1866968700000000, -0.0144546100000000 ] - [ -0.0324797000000000, -0.1866157100000000, 0.0141236600000000 ] - [ -0.0324457900000000, -0.1866968700000000, 0.0144546100000000 ] - [ 0.0324858700000000, 0.1867263500000000, 0.0144507800000000 ] - [ 0.0324691500000000, 0.1867198100000000, 0.0143715200000000 ] - [ 0.0324858700000000, -0.1867263500000000, -0.0144507800000000 ] - [ 0.0324691500000000, -0.1867198100000000, -0.0143715200000000 ] - [ -0.0604298600000000, 0.0451171000000000, 0.0631195100000000 ] - [ -0.0591533500000000, 0.0438802600000000, 0.0654446000000000 ] - [ -0.0604298600000000, -0.0451171000000000, -0.0631195100000000 ] - [ -0.0591533500000000, -0.0438802600000000, -0.0654446000000000 ] - [ 0.0587549700000000, 0.0438888000000000, -0.0655082300000000 ] - [ 0.0587914300000000, 0.0439206900000000, -0.0654829100000000 ] - [ 0.0587549700000000, -0.0438888000000000, 0.0655082300000000 ] - [ 0.0587914300000000, -0.0439206900000000, 0.0654829100000000 ] - [ 0.0586088400000000, -0.0439921800000000, -0.0655866300000000 ] - [ 0.0586308100000000, -0.0437513100000000, -0.0652942300000000 ] - [ 0.0586088400000000, 0.0439921800000000, 0.0655866300000000 ] - [ 0.0586308100000000, 0.0437513100000000, 0.0652942300000000 ] - [ -0.0588187200000000, -0.0438931500000000, 0.0654669300000000 ] - [ -0.0588618400000000, -0.0438863000000000, 0.0654953700000000 ] - [ -0.0588187200000000, 0.0438931500000000, -0.0654669300000000 ] - [ -0.0588618400000000, 0.0438863000000000, -0.0654953700000000 ] - [ 0.0590589200000000, -0.0158763500000000, 0.0025366500000000 ] - [ 0.0591248100000000, -0.0165376600000000, 0.0014825800000000 ] - [ 0.0590589200000000, 0.0158763500000000, -0.0025366500000000 ] - [ 0.0591248100000000, 0.0165376600000000, -0.0014825800000000 ] - [ -0.0596236300000000, -0.0163088500000000, -0.0014163800000000 ] - [ -0.0596915500000000, -0.0163173200000000, -0.0014495600000000 ] - [ -0.0596236300000000, 0.0163088500000000, 0.0014163800000000 ] - [ -0.0596915500000000, 0.0163173200000000, 0.0014495600000000 ] - [ -0.0597249100000000, 0.0163929800000000, -0.0012472200000000 ] - [ -0.0595611700000000, 0.0161988400000000, -0.0014606200000000 ] - [ -0.0597249100000000, -0.0163929800000000, 0.0012472200000000 ] - [ -0.0595611700000000, -0.0161988400000000, 0.0014606200000000 ] - [ 0.0596009900000000, 0.0162390200000000, 0.0016052400000000 ] - [ 0.0596620100000000, 0.0163772200000000, 0.0014916500000000 ] - [ 0.0596009900000000, -0.0162390200000000, -0.0016052400000000 ] - [ 0.0596620100000000, -0.0163772200000000, -0.0014916500000000 ] - [ 0.0144325500000000, 0.0232812000000000, 0.0001208000000000 ] - [ 0.0143014900000000, 0.0236112600000000, 0.0000531500000000 ] - [ 0.0144325500000000, -0.0232812000000000, -0.0001208000000000 ] - [ 0.0143014900000000, -0.0236112600000000, -0.0000531500000000 ] - [ -0.0143257900000000, 0.0234829700000000, 0.0000961600000000 ] - [ -0.0142459400000000, 0.0236118500000000, -0.0000274200000000 ] - [ -0.0143257900000000, -0.0234829700000000, -0.0000961600000000 ] - [ -0.0142459400000000, -0.0236118500000000, 0.0000274200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007325900000000, -0.0287949200000000, 0.0002726900000000 ] - [ -0.0008059100000000, -0.0000749600000000, 0.0000038400000000 ] - [ 0.0008054300000000, -0.0000138000000000, 0.0000033400000000 ] - [ 0.0008054100000000, 0.0000077700000000, 0.0000047100000000 ] - [ 0.0008056300000000, 0.0001700700000000, -0.0000372100000000 ] - [ 0.0008054200000000, 0.0000549100000000, -0.0000571600000000 ] - [ -0.0008058600000000, 0.0000048100000000, -0.0000252900000000 ] - [ -0.0008060200000000, -0.0000101400000000, -0.0000177700000000 ] - [ -0.0088760800000000, 0.0071115900000000, -0.0000416400000000 ] - [ -0.0088547700000000, 0.0071256200000000, 0.0000030300000000 ] - [ -0.0088274300000000, -0.0070732000000000, -0.0000418900000000 ] - [ -0.0088489500000000, -0.0070588000000000, 0.0000029400000000 ] - [ 0.0088284500000000, 0.0070571000000000, 0.0000541000000000 ] - [ 0.0088859000000000, 0.0070796100000000, 0.0000595100000000 ] - [ 0.0088744200000000, -0.0071275300000000, 0.0000545800000000 ] - [ 0.0088166300000000, -0.0071046600000000, 0.0000590200000000 ] - [ 0.0165783400000000, 0.1878840100000000, 0.0872323100000000 ] - [ 0.0195268400000000, 0.1864954200000000, 0.0861366500000000 ] - [ 0.0222031900000000, -0.1856782100000000, -0.0851990500000000 ] - [ 0.0192000700000000, -0.1870820300000000, -0.0863097900000000 ] - [ -0.0193819700000000, 0.1867110900000000, -0.0862780300000000 ] - [ -0.0193804400000000, 0.1867693500000000, -0.0862237300000000 ] - [ -0.0193457800000000, -0.1868645100000000, 0.0861685000000000 ] - [ -0.0193472500000000, -0.1868056000000000, 0.0862231700000000 ] - [ -0.0190892900000000, -0.1865016700000000, -0.0862349000000000 ] - [ -0.0190876600000000, -0.1868626700000000, -0.0862716900000000 ] - [ -0.0196388600000000, 0.1870728400000000, 0.0862136000000000 ] - [ -0.0196404100000000, 0.1867121200000000, 0.0861752000000000 ] - [ 0.0193982700000000, -0.1866899400000000, 0.0863154700000000 ] - [ 0.0193695500000000, -0.1867762200000000, 0.0862311500000000 ] - [ 0.0193287200000000, 0.1868849000000000, -0.0861321200000000 ] - [ 0.0193570500000000, 0.1867987500000000, -0.0862155500000000 ] - [ -0.0375568200000000, -0.0861311800000000, -0.1323761500000000 ] - [ -0.0370224400000000, -0.0859029800000000, -0.1323571400000000 ] - [ -0.0376741500000000, 0.0863278800000000, 0.1323240900000000 ] - [ -0.0382057500000000, 0.0865653300000000, 0.1323480500000000 ] - [ 0.0375776500000000, -0.0861853900000000, 0.1323378100000000 ] - [ 0.0375885700000000, -0.0862424800000000, 0.1323647600000000 ] - [ 0.0376491700000000, 0.0862776200000000, -0.1323667000000000 ] - [ 0.0376379700000000, 0.0862204500000000, -0.1323400800000000 ] - [ 0.0370495700000000, 0.0908225500000000, 0.1279158500000000 ] - [ 0.0375750900000000, 0.0861771000000000, 0.1324201200000000 ] - [ 0.0381992100000000, -0.0815312500000000, -0.1369178500000000 ] - [ 0.0376526900000000, -0.0862852700000000, -0.1322830600000000 ] - [ -0.0375813800000000, 0.0861955100000000, -0.1323143600000000 ] - [ -0.0375838900000000, 0.0862284900000000, -0.1323529500000000 ] - [ -0.0376465200000000, -0.0862674200000000, 0.1323908400000000 ] - [ -0.0376436100000000, -0.0862346600000000, 0.1323519700000000 ] - [ 0.0228332500000000, 0.0270068600000000, -0.0406976900000000 ] - [ 0.0186443100000000, 0.0203523200000000, -0.0444008400000000 ] - [ 0.0160309600000000, -0.0130501200000000, 0.0488277600000000 ] - [ 0.0203187900000000, -0.0198812100000000, 0.0449997400000000 ] - [ -0.0194543300000000, 0.0200818800000000, 0.0446146900000000 ] - [ -0.0194448500000000, 0.0200993800000000, 0.0446793900000000 ] - [ -0.0195145700000000, -0.0201513400000000, -0.0447861800000000 ] - [ -0.0195241200000000, -0.0201347500000000, -0.0447226100000000 ] - [ -0.0201425500000000, -0.0195504900000000, 0.0444615800000000 ] - [ -0.0191925100000000, -0.0199476900000000, 0.0445067900000000 ] - [ -0.0188237300000000, 0.0206853100000000, -0.0449398200000000 ] - [ -0.0197805900000000, 0.0202850800000000, -0.0448968700000000 ] - [ 0.0194689500000000, -0.0200757200000000, -0.0446830300000000 ] - [ 0.0194454300000000, -0.0201117600000000, -0.0446938300000000 ] - [ 0.0194985300000000, 0.0201586000000000, 0.0447186600000000 ] - [ 0.0195218100000000, 0.0201220100000000, 0.0447078100000000 ] - [ 0.0328190300000000, -0.1866939600000000, 0.0148753800000000 ] - [ 0.0326665500000000, -0.1866485600000000, 0.0142969600000000 ] - [ 0.0321636700000000, 0.1867506000000000, -0.0138439600000000 ] - [ 0.0323185700000000, 0.1867965600000000, -0.0144222400000000 ] - [ -0.0325061300000000, -0.1866669200000000, -0.0142712800000000 ] - [ -0.0324934200000000, -0.1867016400000000, -0.0143376200000000 ] - [ -0.0324787400000000, 0.1867783800000000, 0.0144478200000000 ] - [ -0.0324915800000000, 0.1867439900000000, 0.0143818400000000 ] - [ -0.0327733100000000, 0.1867465100000000, -0.0143084400000000 ] - [ -0.0324510800000000, 0.1863888800000000, -0.0143025200000000 ] - [ -0.0322107200000000, -0.1866987200000000, 0.0144115000000000 ] - [ -0.0325369900000000, -0.1870605500000000, 0.0144149400000000 ] - [ 0.0325500100000000, 0.1866752400000000, 0.0144016500000000 ] - [ 0.0324921400000000, 0.1867120400000000, 0.0143412100000000 ] - [ 0.0324339400000000, -0.1867704400000000, -0.0143176300000000 ] - [ 0.0324919800000000, -0.1867336700000000, -0.0143783300000000 ] - [ -0.0596312300000000, 0.0444774500000000, 0.0640040500000000 ] - [ -0.0585886200000000, 0.0439566200000000, 0.0655148800000000 ] - [ -0.0579744400000000, -0.0433224600000000, -0.0669811200000000 ] - [ -0.0590148400000000, -0.0438479200000000, -0.0654737300000000 ] - [ 0.0588033800000000, 0.0438882500000000, -0.0655091500000000 ] - [ 0.0587824300000000, 0.0438908800000000, -0.0655082700000000 ] - [ 0.0587982100000000, -0.0439180400000000, 0.0654792200000000 ] - [ 0.0588189700000000, -0.0439154000000000, 0.0654803100000000 ] - [ 0.0588403200000000, -0.0438530500000000, -0.0655924300000000 ] - [ 0.0585576900000000, -0.0436655900000000, -0.0654790800000000 ] - [ 0.0587626500000000, 0.0439532500000000, 0.0653958900000000 ] - [ 0.0590496300000000, 0.0441518200000000, 0.0655148500000000 ] - [ -0.0588054600000000, -0.0438752800000000, 0.0654980200000000 ] - [ -0.0588166500000000, -0.0438651600000000, 0.0655162500000000 ] - [ -0.0587976200000000, 0.0439308700000000, -0.0654903100000000 ] - [ -0.0587864000000000, 0.0439411200000000, -0.0654720800000000 ] - [ 0.0593461100000000, -0.0168049700000000, 0.0017714100000000 ] - [ 0.0593081400000000, -0.0165130700000000, 0.0017026200000000 ] - [ 0.0599207100000000, 0.0158265900000000, -0.0011148600000000 ] - [ 0.0599634200000000, 0.0161229300000000, -0.0011778200000000 ] - [ -0.0596047100000000, -0.0162576800000000, -0.0014142600000000 ] - [ -0.0596305400000000, -0.0162946900000000, -0.0014320900000000 ] - [ -0.0596679600000000, 0.0163788100000000, 0.0014658900000000 ] - [ -0.0596425200000000, 0.0163416200000000, 0.0014483600000000 ] - [ -0.0595895800000000, 0.0166410700000000, -0.0014269900000000 ] - [ -0.0595039800000000, 0.0162335300000000, -0.0015245700000000 ] - [ -0.0596845200000000, -0.0159983900000000, 0.0014494400000000 ] - [ -0.0597677600000000, -0.0164017500000000, 0.0013551700000000 ] - [ 0.0595986900000000, 0.0162434300000000, 0.0015701900000000 ] - [ 0.0596251000000000, 0.0162961700000000, 0.0014282600000000 ] - [ 0.0596730100000000, -0.0163938700000000, -0.0013106700000000 ] - [ 0.0596469800000000, -0.0163400400000000, -0.0014522300000000 ] - [ 0.0143266400000000, 0.0237497700000000, -0.0004050900000000 ] - [ 0.0143597700000000, 0.0236183100000000, -0.0000210900000000 ] - [ 0.0142090500000000, -0.0234094400000000, -0.0004063100000000 ] - [ 0.0141752100000000, -0.0235406200000000, -0.0000209500000000 ] - [ -0.0142166200000000, 0.0234333600000000, 0.0000571200000000 ] - [ -0.0142535900000000, 0.0235312700000000, 0.0000729500000000 ] - [ -0.0143204600000000, -0.0237236500000000, 0.0000570600000000 ] - [ -0.0142827400000000, -0.0236275700000000, 0.0000731700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007465700000000, 0.0002724400000000, -0.0210427100000000 ] - [ -0.0008058600000000, 0.0000034600000000, -0.0001058600000000 ] - [ 0.0008057400000000, -0.0000037700000000, 0.0000304100000000 ] - [ 0.0008058200000000, -0.0000050700000000, 0.0000333800000000 ] - [ 0.0008061100000000, -0.0000374500000000, -0.0001006100000000 ] - [ 0.0008057500000000, -0.0000573600000000, -0.0000753700000000 ] - [ -0.0008061000000000, 0.0000250500000000, 0.0000930600000000 ] - [ -0.0008058900000000, 0.0000175300000000, 0.0000540000000000 ] - [ -0.0088536400000000, 0.0070203700000000, 0.0000287700000000 ] - [ -0.0088541200000000, 0.0070586900000000, 0.0000285700000000 ] - [ -0.0088485800000000, -0.0071643900000000, 0.0000281500000000 ] - [ -0.0088484800000000, -0.0071261500000000, 0.0000285000000000 ] - [ 0.0088442100000000, 0.0071389200000000, 0.0000505700000000 ] - [ 0.0089051900000000, 0.0071479200000000, 0.0000573300000000 ] - [ 0.0088580200000000, -0.0070455600000000, 0.0000504700000000 ] - [ 0.0087976500000000, -0.0070368600000000, 0.0000569300000000 ] - [ 0.0176678500000000, 0.1876488200000000, 0.0863990800000000 ] - [ 0.0194316800000000, 0.1866744800000000, 0.0862376400000000 ] - [ 0.0210650100000000, -0.1859252100000000, -0.0860558700000000 ] - [ 0.0192961100000000, -0.1869006500000000, -0.0862091100000000 ] - [ -0.0193564800000000, 0.1867501600000000, -0.0863316900000000 ] - [ -0.0193467300000000, 0.1867721200000000, -0.0862722100000000 ] - [ -0.0193704700000000, -0.1868260600000000, 0.0861142500000000 ] - [ -0.0193807400000000, -0.1868031800000000, 0.0861749900000000 ] - [ -0.0193787800000000, -0.1867696400000000, -0.0856999500000000 ] - [ -0.0195834700000000, -0.1867768000000000, -0.0860745000000000 ] - [ -0.0193465600000000, 0.1867967200000000, 0.0867496800000000 ] - [ -0.0191448500000000, 0.1867978500000000, 0.0863731500000000 ] - [ 0.0193022600000000, -0.1868724800000000, 0.0860948700000000 ] - [ 0.0193269300000000, -0.1868352700000000, 0.0861640600000000 ] - [ 0.0194241400000000, 0.1867031500000000, -0.0863518000000000 ] - [ 0.0194001900000000, 0.1867401700000000, -0.0862826800000000 ] - [ -0.0376368800000000, -0.0863597600000000, -0.1321280400000000 ] - [ -0.0375350300000000, -0.0862246500000000, -0.1322473600000000 ] - [ -0.0375910300000000, 0.0861004300000000, 0.1325793000000000 ] - [ -0.0376878100000000, 0.0862382500000000, 0.1324567100000000 ] - [ 0.0376297500000000, -0.0862403800000000, 0.1323122900000000 ] - [ 0.0376541500000000, -0.0862297000000000, 0.1323277400000000 ] - [ 0.0375971600000000, 0.0862233500000000, -0.1323921900000000 ] - [ 0.0375734200000000, 0.0862332800000000, -0.1323771100000000 ] - [ 0.0377870600000000, 0.0814786500000000, 0.1358833100000000 ] - [ 0.0373009200000000, 0.0862945500000000, 0.1324860100000000 ] - [ 0.0374537700000000, -0.0908926000000000, -0.1288784100000000 ] - [ 0.0379235500000000, -0.0861705800000000, -0.1322201400000000 ] - [ -0.0376460000000000, 0.0861887900000000, -0.1323304300000000 ] - [ -0.0376617300000000, 0.0862123100000000, -0.1323375700000000 ] - [ -0.0375816600000000, -0.0862747100000000, 0.1323739500000000 ] - [ -0.0375664900000000, -0.0862507200000000, 0.1323669800000000 ] - [ 0.0215284500000000, 0.0243578100000000, -0.0443641900000000 ] - [ 0.0192536200000000, 0.0204811600000000, -0.0448690200000000 ] - [ 0.0174208900000000, -0.0158469000000000, 0.0450359000000000 ] - [ 0.0197091100000000, -0.0197529200000000, 0.0445313900000000 ] - [ -0.0195624600000000, 0.0201787000000000, 0.0448707700000000 ] - [ -0.0195599500000000, 0.0201835700000000, 0.0447829800000000 ] - [ -0.0194063900000000, -0.0200553100000000, -0.0445311900000000 ] - [ -0.0194088800000000, -0.0200504300000000, -0.0446187700000000 ] - [ -0.0189524500000000, -0.0200670700000000, 0.0443130300000000 ] - [ -0.0191139700000000, -0.0198656200000000, 0.0443204900000000 ] - [ -0.0200180200000000, 0.0201655000000000, -0.0450885900000000 ] - [ -0.0198513900000000, 0.0203648000000000, -0.0450793300000000 ] - [ 0.0194910300000000, -0.0200054400000000, -0.0446094800000000 ] - [ 0.0195132200000000, -0.0200719600000000, -0.0446334200000000 ] - [ 0.0194778100000000, 0.0202298900000000, 0.0447926100000000 ] - [ 0.0194555800000000, 0.0201617800000000, 0.0447683900000000 ] - [ 0.0328479700000000, -0.1863150800000000, 0.0161008100000000 ] - [ 0.0322806300000000, -0.1869048300000000, 0.0144441500000000 ] - [ 0.0321075300000000, 0.1871552900000000, -0.0125397500000000 ] - [ 0.0327057000000000, 0.1865374700000000, -0.0142760200000000 ] - [ -0.0324113100000000, -0.1867590500000000, -0.0144993900000000 ] - [ -0.0324349000000000, -0.1867426800000000, -0.0144232900000000 ] - [ -0.0325737300000000, 0.1866869800000000, 0.0142190400000000 ] - [ -0.0325502200000000, 0.1867029200000000, 0.0142957900000000 ] - [ -0.0323712200000000, 0.1864150600000000, -0.0141639400000000 ] - [ -0.0324308400000000, 0.1864331400000000, -0.0142205800000000 ] - [ -0.0326124500000000, -0.1870297000000000, 0.0145553600000000 ] - [ -0.0325530400000000, -0.1870128400000000, 0.0144991300000000 ] - [ 0.0325713900000000, 0.1866936300000000, 0.0144727100000000 ] - [ 0.0325335800000000, 0.1867102300000000, 0.0143176400000000 ] - [ 0.0324138800000000, -0.1867527700000000, -0.0142485000000000 ] - [ 0.0324511500000000, -0.1867352200000000, -0.0144011000000000 ] - [ -0.0566168300000000, 0.0424975700000000, 0.0680547400000000 ] - [ -0.0588627800000000, 0.0437949100000000, 0.0654386700000000 ] - [ -0.0610413800000000, -0.0453277200000000, -0.0628806100000000 ] - [ -0.0587397500000000, -0.0440116000000000, -0.0655503900000000 ] - [ 0.0587854900000000, 0.0438832400000000, -0.0654978400000000 ] - [ 0.0587878200000000, 0.0438724500000000, -0.0654959600000000 ] - [ 0.0588171000000000, -0.0439230800000000, 0.0654905600000000 ] - [ 0.0588150200000000, -0.0439336200000000, 0.0654928000000000 ] - [ 0.0587097100000000, -0.0438867000000000, -0.0654893000000000 ] - [ 0.0585768800000000, -0.0437343900000000, -0.0654274700000000 ] - [ 0.0588911800000000, 0.0439193100000000, 0.0654990300000000 ] - [ 0.0590262600000000, 0.0440745900000000, 0.0655613300000000 ] - [ -0.0588275400000000, -0.0439406700000000, 0.0654795800000000 ] - [ -0.0587827400000000, -0.0439816000000000, 0.0654718800000000 ] - [ -0.0587747000000000, 0.0438651900000000, -0.0655089800000000 ] - [ -0.0588196500000000, 0.0438248300000000, -0.0655167900000000 ] - [ 0.0578194400000000, -0.0157407100000000, 0.0028692000000000 ] - [ 0.0602572400000000, -0.0158665000000000, 0.0012692500000000 ] - [ 0.0614844200000000, 0.0168953900000000, 0.0000363400000000 ] - [ 0.0590143000000000, 0.0167696100000000, -0.0016101100000000 ] - [ -0.0596443300000000, -0.0162708400000000, -0.0014656200000000 ] - [ -0.0596232200000000, -0.0162619600000000, -0.0014376500000000 ] - [ -0.0596287900000000, 0.0163654700000000, 0.0014151600000000 ] - [ -0.0596494000000000, 0.0163742600000000, 0.0014424400000000 ] - [ -0.0597003800000000, 0.0166166100000000, -0.0013586200000000 ] - [ -0.0596041100000000, 0.0163536300000000, -0.0014569000000000 ] - [ -0.0595720600000000, -0.0160210000000000, 0.0015166800000000 ] - [ -0.0596690400000000, -0.0162828300000000, 0.0014231200000000 ] - [ 0.0597097300000000, 0.0165438300000000, 0.0012530500000000 ] - [ 0.0596989800000000, 0.0164214000000000, 0.0014718500000000 ] - [ 0.0595625300000000, -0.0160935000000000, -0.0016254700000000 ] - [ 0.0595739100000000, -0.0162149000000000, -0.0014088100000000 ] - [ 0.0145803600000000, 0.0230748700000000, 0.0002843200000000 ] - [ 0.0141515800000000, 0.0234393700000000, -0.0000657600000000 ] - [ 0.0139542100000000, -0.0240870400000000, 0.0002841900000000 ] - [ 0.0143835500000000, -0.0237197800000000, -0.0000665700000000 ] - [ -0.0142666100000000, 0.0234179700000000, 0.0000905800000000 ] - [ -0.0142765800000000, 0.0234976300000000, 0.0000279900000000 ] - [ -0.0142695000000000, -0.0237409200000000, 0.0000883300000000 ] - [ -0.0142591600000000, -0.0236613300000000, 0.0000276200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008156100000000, -0.0000235000000000, -0.0000061800000000 ] - [ -0.0007421200000000, -0.0000022100000000, -0.0000063700000000 ] - [ 0.0008363300000000, 0.0000236700000000, -0.0000032400000000 ] - [ 0.0008376300000000, -0.0000337300000000, 0.0000572600000000 ] - [ 0.0008363300000000, 0.0000236700000000, 0.0000032400000000 ] - [ 0.0008376300000000, -0.0000337300000000, -0.0000572600000000 ] - [ -0.0008156100000000, -0.0000235000000000, 0.0000061800000000 ] - [ -0.0007421200000000, -0.0000022100000000, 0.0000063700000000 ] - [ -0.0227724100000000, 0.0113693400000000, 0.0000000000000000 ] - [ -0.0087225600000000, 0.0070848100000000, 0.0000000000000000 ] - [ -0.0088689100000000, -0.0070948100000000, 0.0000000000000000 ] - [ -0.0088031500000000, -0.0070857100000000, 0.0000000000000000 ] - [ 0.0089082100000000, 0.0070541100000000, 0.0000000000000000 ] - [ 0.0088680800000000, 0.0071178700000000, 0.0000000000000000 ] - [ 0.0088811300000000, -0.0070871500000000, 0.0000000000000000 ] - [ 0.0088681900000000, -0.0070977500000000, 0.0000000000000000 ] - [ 0.0191091500000000, 0.1869304800000000, 0.0858347600000000 ] - [ 0.0195121900000000, 0.1866298600000000, 0.0864104000000000 ] - [ 0.0193344200000000, -0.1867997800000000, -0.0862734100000000 ] - [ 0.0193785800000000, -0.1868970900000000, -0.0860681100000000 ] - [ -0.0194775700000000, 0.1867888000000000, -0.0861287300000000 ] - [ -0.0195530000000000, 0.1867993500000000, -0.0862608100000000 ] - [ -0.0193336300000000, -0.1867825300000000, 0.0862264500000000 ] - [ -0.0193426100000000, -0.1868028700000000, 0.0862092200000000 ] - [ -0.0193336300000000, -0.1867825300000000, -0.0862264500000000 ] - [ -0.0193426100000000, -0.1868028700000000, -0.0862092200000000 ] - [ -0.0194775700000000, 0.1867888000000000, 0.0861287300000000 ] - [ -0.0195530000000000, 0.1867993500000000, 0.0862608100000000 ] - [ 0.0193344200000000, -0.1867997800000000, 0.0862734100000000 ] - [ 0.0193785800000000, -0.1868970900000000, 0.0860681100000000 ] - [ 0.0191091500000000, 0.1869304800000000, -0.0858347600000000 ] - [ 0.0195121900000000, 0.1866298600000000, -0.0864104000000000 ] - [ -0.0374842500000000, -0.0860978600000000, -0.1321595800000000 ] - [ -0.0375290500000000, -0.0862811100000000, -0.1324319200000000 ] - [ -0.0375787500000000, 0.0862580100000000, 0.1323621800000000 ] - [ -0.0376097600000000, 0.0862058200000000, 0.1323568300000000 ] - [ 0.0379800100000000, -0.0866054700000000, 0.1311758300000000 ] - [ 0.0377383100000000, -0.0863454500000000, 0.1324117600000000 ] - [ 0.0376227000000000, 0.0862280400000000, -0.1323233300000000 ] - [ 0.0376525300000000, 0.0862342400000000, -0.1323521600000000 ] - [ 0.0376227000000000, 0.0862280400000000, 0.1323233300000000 ] - [ 0.0376525300000000, 0.0862342400000000, 0.1323521600000000 ] - [ 0.0379800100000000, -0.0866054700000000, -0.1311758300000000 ] - [ 0.0377383100000000, -0.0863454500000000, -0.1324117600000000 ] - [ -0.0375787500000000, 0.0862580100000000, -0.1323621800000000 ] - [ -0.0376097600000000, 0.0862058200000000, -0.1323568300000000 ] - [ -0.0374842500000000, -0.0860978600000000, 0.1321595800000000 ] - [ -0.0375290500000000, -0.0862811100000000, 0.1324319200000000 ] - [ 0.0196302300000000, 0.0203553200000000, -0.0446137200000000 ] - [ 0.0194969500000000, 0.0201080200000000, -0.0448029200000000 ] - [ 0.0194424700000000, -0.0202510700000000, 0.0447529100000000 ] - [ 0.0195878100000000, -0.0200993500000000, 0.0447332500000000 ] - [ -0.0189794800000000, 0.0202748800000000, 0.0447331100000000 ] - [ -0.0195835400000000, 0.0205121700000000, 0.0449705700000000 ] - [ -0.0194775400000000, -0.0202092400000000, -0.0449330600000000 ] - [ -0.0194600800000000, -0.0200704600000000, -0.0445749400000000 ] - [ -0.0194775400000000, -0.0202092400000000, 0.0449330600000000 ] - [ -0.0194600800000000, -0.0200704600000000, 0.0445749400000000 ] - [ -0.0189794800000000, 0.0202748800000000, -0.0447331100000000 ] - [ -0.0195835400000000, 0.0205121700000000, -0.0449705700000000 ] - [ 0.0194424700000000, -0.0202510700000000, -0.0447529100000000 ] - [ 0.0195878100000000, -0.0200993500000000, -0.0447332500000000 ] - [ 0.0196302300000000, 0.0203553200000000, 0.0446137200000000 ] - [ 0.0194969500000000, 0.0201080200000000, 0.0448029200000000 ] - [ 0.0324268100000000, -0.1867191100000000, 0.0144030600000000 ] - [ 0.0325230900000000, -0.1866989500000000, 0.0144093300000000 ] - [ 0.0325042700000000, 0.1867548400000000, -0.0143728500000000 ] - [ 0.0325175400000000, 0.1867150400000000, -0.0143749900000000 ] - [ -0.0322942100000000, -0.1868987400000000, -0.0143075600000000 ] - [ -0.0294997100000000, -0.1886221900000000, -0.0126005700000000 ] - [ -0.0324453700000000, 0.1868029700000000, 0.0145338200000000 ] - [ -0.0324885300000000, 0.1866751100000000, 0.0142743400000000 ] - [ -0.0324453700000000, 0.1868029700000000, -0.0145338200000000 ] - [ -0.0324885300000000, 0.1866751100000000, -0.0142743400000000 ] - [ -0.0322942100000000, -0.1868987400000000, 0.0143075600000000 ] - [ -0.0294997100000000, -0.1886221900000000, 0.0126005700000000 ] - [ 0.0325042700000000, 0.1867548400000000, 0.0143728500000000 ] - [ 0.0325175400000000, 0.1867150400000000, 0.0143749900000000 ] - [ 0.0324268100000000, -0.1867191100000000, -0.0144030600000000 ] - [ 0.0325230900000000, -0.1866989500000000, -0.0144093300000000 ] - [ -0.0590179000000000, 0.0444320600000000, 0.0649176600000000 ] - [ -0.0587513800000000, 0.0438882500000000, 0.0653738700000000 ] - [ -0.0588016000000000, -0.0439033200000000, -0.0654990000000000 ] - [ -0.0587699800000000, -0.0438890100000000, -0.0655014300000000 ] - [ 0.0588044700000000, 0.0441525800000000, -0.0655063900000000 ] - [ 0.0581869700000000, 0.0434710300000000, -0.0655282000000000 ] - [ 0.0588303000000000, -0.0439152800000000, 0.0654754100000000 ] - [ 0.0588105200000000, -0.0438849800000000, 0.0655184200000000 ] - [ 0.0588303000000000, -0.0439152800000000, -0.0654754100000000 ] - [ 0.0588105200000000, -0.0438849800000000, -0.0655184200000000 ] - [ 0.0588044700000000, 0.0441525800000000, 0.0655063900000000 ] - [ 0.0581869700000000, 0.0434710300000000, 0.0655282000000000 ] - [ -0.0588016000000000, -0.0439033200000000, 0.0654990000000000 ] - [ -0.0587699800000000, -0.0438890100000000, 0.0655014300000000 ] - [ -0.0590179000000000, 0.0444320600000000, -0.0649176600000000 ] - [ -0.0587513800000000, 0.0438882500000000, -0.0653738700000000 ] - [ 0.0598536900000000, -0.0169105500000000, 0.0020402200000000 ] - [ 0.0594943200000000, -0.0157414300000000, 0.0007735600000000 ] - [ 0.0596595000000000, 0.0163051900000000, -0.0014395700000000 ] - [ 0.0596927400000000, 0.0164078300000000, -0.0014814100000000 ] - [ -0.0596342300000000, -0.0156324500000000, -0.0020551700000000 ] - [ -0.0592071100000000, -0.0164867500000000, -0.0014532300000000 ] - [ -0.0596717200000000, 0.0163186500000000, 0.0014667000000000 ] - [ -0.0595679800000000, 0.0163454200000000, 0.0014335800000000 ] - [ -0.0596717200000000, 0.0163186500000000, -0.0014667000000000 ] - [ -0.0595679800000000, 0.0163454200000000, -0.0014335800000000 ] - [ -0.0596342300000000, -0.0156324500000000, 0.0020551700000000 ] - [ -0.0592071100000000, -0.0164867500000000, 0.0014532300000000 ] - [ 0.0596595000000000, 0.0163051900000000, 0.0014395700000000 ] - [ 0.0596927400000000, 0.0164078300000000, 0.0014814100000000 ] - [ 0.0598536900000000, -0.0169105500000000, -0.0020402200000000 ] - [ 0.0594943200000000, -0.0157414300000000, -0.0007735600000000 ] - [ 0.0181435900000000, 0.0218988300000000, 0.0000000000000000 ] - [ 0.0150689500000000, 0.0230415400000000, 0.0000000000000000 ] - [ 0.0142852800000000, -0.0235537200000000, 0.0000000000000000 ] - [ 0.0142504400000000, -0.0237043500000000, 0.0000000000000000 ] - [ -0.0140957500000000, 0.0236760400000000, 0.0000000000000000 ] - [ -0.0142354900000000, 0.0235514100000000, 0.0000000000000000 ] - [ -0.0142046400000000, -0.0235945000000000, 0.0000000000000000 ] - [ -0.0142647100000000, -0.0236022300000000, 0.0000000000000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007939600000000, 0.0000240800000000, 0.0000023900000000 ] - [ -0.0008675100000000, 0.0000024900000000, 0.0000028500000000 ] - [ 0.0007734300000000, -0.0000234200000000, 0.0000070100000000 ] - [ 0.0007717800000000, 0.0000344200000000, -0.0000536500000000 ] - [ 0.0007734300000000, -0.0000234200000000, -0.0000070100000000 ] - [ 0.0007717800000000, 0.0000344200000000, 0.0000536500000000 ] - [ -0.0007939600000000, 0.0000240800000000, -0.0000023900000000 ] - [ -0.0008675100000000, 0.0000024900000000, -0.0000028500000000 ] - [ 0.0050767700000000, 0.0028085400000000, 0.0000000000000000 ] - [ -0.0089851200000000, 0.0070975000000000, 0.0000000000000000 ] - [ -0.0088400300000000, -0.0070872500000000, 0.0000000000000000 ] - [ -0.0089058700000000, -0.0070962600000000, 0.0000000000000000 ] - [ 0.0088001300000000, 0.0071281200000000, 0.0000000000000000 ] - [ 0.0088406200000000, 0.0070646100000000, 0.0000000000000000 ] - [ 0.0088282300000000, -0.0070948600000000, 0.0000000000000000 ] - [ 0.0088414200000000, -0.0070840900000000, 0.0000000000000000 ] - [ 0.0196169000000000, 0.1866476400000000, 0.0866146500000000 ] - [ 0.0192127400000000, 0.1869473500000000, 0.0860382400000000 ] - [ 0.0193917600000000, -0.1867785400000000, -0.0861725100000000 ] - [ 0.0193481000000000, -0.1866806200000000, -0.0863789100000000 ] - [ -0.0192491900000000, 0.1867852600000000, -0.0863217200000000 ] - [ -0.0191725000000000, 0.1867758100000000, -0.0861895200000000 ] - [ -0.0193924100000000, -0.1867961100000000, 0.0862189600000000 ] - [ -0.0193838600000000, -0.1867756800000000, 0.0862364300000000 ] - [ -0.0193924100000000, -0.1867961100000000, -0.0862189600000000 ] - [ -0.0193838600000000, -0.1867756800000000, -0.0862364300000000 ] - [ -0.0192491900000000, 0.1867852600000000, 0.0863217200000000 ] - [ -0.0191725000000000, 0.1867758100000000, 0.0861895200000000 ] - [ 0.0193917600000000, -0.1867785400000000, 0.0861725100000000 ] - [ 0.0193481000000000, -0.1866806200000000, 0.0863789100000000 ] - [ 0.0196169000000000, 0.1866476400000000, -0.0866146500000000 ] - [ 0.0192127400000000, 0.1869473500000000, -0.0860382400000000 ] - [ -0.0377521800000000, -0.0863716800000000, -0.1325435300000000 ] - [ -0.0377068500000000, -0.0861867100000000, -0.1322696000000000 ] - [ -0.0376519400000000, 0.0862098500000000, 0.1323370400000000 ] - [ -0.0376209200000000, 0.0862623900000000, 0.1323428500000000 ] - [ 0.0372693100000000, -0.0858672900000000, 0.1335023600000000 ] - [ 0.0374945200000000, -0.0861214200000000, 0.1322905800000000 ] - [ 0.0376084400000000, 0.0862400600000000, -0.1323758500000000 ] - [ 0.0375785000000000, 0.0862338900000000, -0.1323471600000000 ] - [ 0.0376084400000000, 0.0862400600000000, 0.1323758500000000 ] - [ 0.0375785000000000, 0.0862338900000000, 0.1323471600000000 ] - [ 0.0372693100000000, -0.0858672900000000, -0.1335023600000000 ] - [ 0.0374945200000000, -0.0861214200000000, -0.1322905800000000 ] - [ -0.0376519400000000, 0.0862098500000000, -0.1323370400000000 ] - [ -0.0376209200000000, 0.0862623900000000, -0.1323428500000000 ] - [ -0.0377521800000000, -0.0863716800000000, 0.1325435300000000 ] - [ -0.0377068500000000, -0.0861867100000000, 0.1322696000000000 ] - [ 0.0193425900000000, 0.0198788700000000, -0.0447956900000000 ] - [ 0.0194764000000000, 0.0201274200000000, -0.0446065300000000 ] - [ 0.0195257600000000, -0.0199804300000000, 0.0446439800000000 ] - [ 0.0193799500000000, -0.0201332200000000, 0.0446635200000000 ] - [ -0.0199965800000000, 0.0199580800000000, 0.0446736400000000 ] - [ -0.0193858300000000, 0.0197234300000000, 0.0444387500000000 ] - [ -0.0194900900000000, -0.0200234800000000, -0.0444656000000000 ] - [ -0.0195073700000000, -0.0201621600000000, -0.0448232300000000 ] - [ -0.0194900900000000, -0.0200234800000000, 0.0444656000000000 ] - [ -0.0195073700000000, -0.0201621600000000, 0.0448232300000000 ] - [ -0.0199965800000000, 0.0199580800000000, -0.0446736400000000 ] - [ -0.0193858300000000, 0.0197234300000000, -0.0444387500000000 ] - [ 0.0195257600000000, -0.0199804300000000, -0.0446439800000000 ] - [ 0.0193799500000000, -0.0201332200000000, -0.0446635200000000 ] - [ 0.0193425900000000, 0.0198788700000000, 0.0447956900000000 ] - [ 0.0194764000000000, 0.0201274200000000, 0.0446065300000000 ] - [ 0.0325561600000000, -0.1867278900000000, 0.0143198400000000 ] - [ 0.0324606800000000, -0.1867494500000000, 0.0143125300000000 ] - [ 0.0324818700000000, 0.1866902200000000, -0.0143452500000000 ] - [ 0.0324685300000000, 0.1867301900000000, -0.0143437200000000 ] - [ -0.0326907000000000, -0.1865517600000000, -0.0144124300000000 ] - [ -0.0355529500000000, -0.1847675300000000, -0.0161725800000000 ] - [ -0.0325405200000000, 0.1866426300000000, 0.0141860200000000 ] - [ -0.0324971900000000, 0.1867704200000000, 0.0144452800000000 ] - [ -0.0325405200000000, 0.1866426300000000, -0.0141860200000000 ] - [ -0.0324971900000000, 0.1867704200000000, -0.0144452800000000 ] - [ -0.0326907000000000, -0.1865517600000000, 0.0144124300000000 ] - [ -0.0355529500000000, -0.1847675300000000, 0.0161725800000000 ] - [ 0.0324818700000000, 0.1866902200000000, 0.0143452500000000 ] - [ 0.0324685300000000, 0.1867301900000000, 0.0143437200000000 ] - [ 0.0325561600000000, -0.1867278900000000, -0.0143198400000000 ] - [ 0.0324606800000000, -0.1867494500000000, -0.0143125300000000 ] - [ -0.0585814400000000, 0.0433775100000000, 0.0660676400000000 ] - [ -0.0588521100000000, 0.0439187300000000, 0.0656170000000000 ] - [ -0.0588035200000000, -0.0439062800000000, -0.0654955400000000 ] - [ -0.0588349300000000, -0.0439205400000000, -0.0654932300000000 ] - [ 0.0587985300000000, 0.0436588700000000, -0.0654855700000000 ] - [ 0.0594201800000000, 0.0443373200000000, -0.0654611500000000 ] - [ 0.0587752100000000, -0.0438944100000000, 0.0655192100000000 ] - [ 0.0587951900000000, -0.0439247500000000, 0.0654762000000000 ] - [ 0.0587752100000000, -0.0438944100000000, -0.0655192100000000 ] - [ 0.0587951900000000, -0.0439247500000000, -0.0654762000000000 ] - [ 0.0587985300000000, 0.0436588700000000, 0.0654855700000000 ] - [ 0.0594201800000000, 0.0443373200000000, 0.0654611500000000 ] - [ -0.0588035200000000, -0.0439062800000000, 0.0654955400000000 ] - [ -0.0588349300000000, -0.0439205400000000, 0.0654932300000000 ] - [ -0.0585814400000000, 0.0433775100000000, -0.0660676400000000 ] - [ -0.0588521100000000, 0.0439187300000000, -0.0656170000000000 ] - [ 0.0594198800000000, -0.0157219500000000, 0.0008381000000000 ] - [ 0.0597770000000000, -0.0168871500000000, 0.0021084800000000 ] - [ 0.0596100600000000, 0.0163292300000000, -0.0014462500000000 ] - [ 0.0595768100000000, 0.0162253800000000, -0.0014039900000000 ] - [ -0.0596349900000000, -0.0169893300000000, -0.0008288100000000 ] - [ -0.0600530900000000, -0.0161424600000000, -0.0014265800000000 ] - [ -0.0595979600000000, 0.0163156800000000, 0.0014190500000000 ] - [ -0.0597016500000000, 0.0162889600000000, 0.0014522600000000 ] - [ -0.0595979600000000, 0.0163156800000000, -0.0014190500000000 ] - [ -0.0597016500000000, 0.0162889600000000, -0.0014522600000000 ] - [ -0.0596349900000000, -0.0169893300000000, 0.0008288100000000 ] - [ -0.0600530900000000, -0.0161424600000000, 0.0014265800000000 ] - [ 0.0596100600000000, 0.0163292300000000, 0.0014462500000000 ] - [ 0.0595768100000000, 0.0162253800000000, 0.0014039900000000 ] - [ 0.0594198800000000, -0.0157219500000000, -0.0008381000000000 ] - [ 0.0597770000000000, -0.0168871500000000, -0.0021084800000000 ] - [ 0.0104871600000000, 0.0251814200000000, 0.0000000000000000 ] - [ 0.0134292500000000, 0.0240956200000000, 0.0000000000000000 ] - [ 0.0142512600000000, -0.0236095600000000, 0.0000000000000000 ] - [ 0.0142863500000000, -0.0234570800000000, 0.0000000000000000 ] - [ -0.0144415900000000, 0.0234768800000000, 0.0000000000000000 ] - [ -0.0143018800000000, 0.0236013700000000, 0.0000000000000000 ] - [ -0.0143313600000000, -0.0235682300000000, 0.0000000000000000 ] - [ -0.0142714100000000, -0.0235606300000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008579500000000, 0.0000174000000000, -0.0000717900000000 ] - [ -0.0008004000000000, 0.0000316800000000, -0.0000335700000000 ] - [ 0.0008302000000000, -0.0000370100000000, -0.0000467700000000 ] - [ 0.0007669800000000, -0.0000143200000000, -0.0000555100000000 ] - [ 0.0008302000000000, -0.0000370100000000, 0.0000467700000000 ] - [ 0.0007669800000000, -0.0000143200000000, 0.0000555100000000 ] - [ -0.0008579500000000, 0.0000174000000000, 0.0000717900000000 ] - [ -0.0008004000000000, 0.0000316800000000, 0.0000335700000000 ] - [ -0.0046329400000000, -0.0031419300000000, 0.0000000000000000 ] - [ -0.0088572700000000, 0.0070067100000000, 0.0000000000000000 ] - [ -0.0088462400000000, -0.0071091900000000, 0.0000000000000000 ] - [ -0.0088552400000000, -0.0071070000000000, 0.0000000000000000 ] - [ 0.0088899900000000, 0.0071409100000000, 0.0000000000000000 ] - [ 0.0088256400000000, 0.0072576000000000, 0.0000000000000000 ] - [ 0.0088554400000000, -0.0070842800000000, 0.0000000000000000 ] - [ 0.0088447300000000, -0.0070662700000000, 0.0000000000000000 ] - [ 0.0193061100000000, 0.1863624100000000, 0.0860868000000000 ] - [ 0.0195100100000000, 0.1867816200000000, 0.0862153600000000 ] - [ 0.0193807600000000, -0.1867417200000000, -0.0862901000000000 ] - [ 0.0193623200000000, -0.1865851100000000, -0.0865039200000000 ] - [ -0.0192339700000000, 0.1868786000000000, -0.0861736200000000 ] - [ -0.0191319100000000, 0.1868481100000000, -0.0862561800000000 ] - [ -0.0193540600000000, -0.1869168900000000, 0.0860351100000000 ] - [ -0.0193532000000000, -0.1868122600000000, 0.0861791500000000 ] - [ -0.0193540600000000, -0.1869168900000000, -0.0860351100000000 ] - [ -0.0193532000000000, -0.1868122600000000, -0.0861791500000000 ] - [ -0.0192339700000000, 0.1868786000000000, 0.0861736200000000 ] - [ -0.0191319100000000, 0.1868481100000000, 0.0862561800000000 ] - [ 0.0193807600000000, -0.1867417200000000, 0.0862901000000000 ] - [ 0.0193623200000000, -0.1865851100000000, 0.0865039200000000 ] - [ 0.0193061100000000, 0.1863624100000000, -0.0860868000000000 ] - [ 0.0195100100000000, 0.1867816200000000, -0.0862153600000000 ] - [ -0.0371586100000000, -0.0858476000000000, -0.1321760500000000 ] - [ -0.0374290500000000, -0.0862891700000000, -0.1323573000000000 ] - [ -0.0376440600000000, 0.0862099300000000, 0.1323392700000000 ] - [ -0.0375994300000000, 0.0862408600000000, 0.1324548100000000 ] - [ 0.0375732800000000, -0.0860540400000000, 0.1330626900000000 ] - [ 0.0378117200000000, -0.0861764200000000, 0.1323134100000000 ] - [ 0.0376097300000000, 0.0862344000000000, -0.1323399800000000 ] - [ 0.0375888300000000, 0.0862446900000000, -0.1323579700000000 ] - [ 0.0376097300000000, 0.0862344000000000, 0.1323399800000000 ] - [ 0.0375888300000000, 0.0862446900000000, 0.1323579700000000 ] - [ 0.0375732800000000, -0.0860540400000000, -0.1330626900000000 ] - [ 0.0378117200000000, -0.0861764200000000, -0.1323134100000000 ] - [ -0.0376440600000000, 0.0862099300000000, -0.1323392700000000 ] - [ -0.0375994300000000, 0.0862408600000000, -0.1324548100000000 ] - [ -0.0371586100000000, -0.0858476000000000, 0.1321760500000000 ] - [ -0.0374290500000000, -0.0862891700000000, 0.1323573000000000 ] - [ 0.0193309700000000, 0.0202829300000000, -0.0449985200000000 ] - [ 0.0192819300000000, 0.0201821600000000, -0.0447604900000000 ] - [ 0.0195135400000000, -0.0201679300000000, 0.0448932500000000 ] - [ 0.0194944500000000, -0.0200742200000000, 0.0446184500000000 ] - [ -0.0199132600000000, 0.0199269700000000, 0.0445267700000000 ] - [ -0.0195759600000000, 0.0195408800000000, 0.0443932700000000 ] - [ -0.0194602700000000, -0.0201626800000000, -0.0447167100000000 ] - [ -0.0194224800000000, -0.0200937800000000, -0.0446161700000000 ] - [ -0.0194602700000000, -0.0201626800000000, 0.0447167100000000 ] - [ -0.0194224800000000, -0.0200937800000000, 0.0446161700000000 ] - [ -0.0199132600000000, 0.0199269700000000, -0.0445267700000000 ] - [ -0.0195759600000000, 0.0195408800000000, -0.0443932700000000 ] - [ 0.0195135400000000, -0.0201679300000000, -0.0448932500000000 ] - [ 0.0194944500000000, -0.0200742200000000, -0.0446184500000000 ] - [ 0.0193309700000000, 0.0202829300000000, 0.0449985200000000 ] - [ 0.0192819300000000, 0.0201821600000000, 0.0447604900000000 ] - [ 0.0322060100000000, -0.1863930500000000, 0.0146169400000000 ] - [ 0.0323777800000000, -0.1867803600000000, 0.0143843400000000 ] - [ 0.0324622800000000, 0.1867912000000000, -0.0144605100000000 ] - [ 0.0324952400000000, 0.1867110000000000, -0.0143403700000000 ] - [ -0.0324662200000000, -0.1868088000000000, -0.0143899500000000 ] - [ -0.0344354300000000, -0.1857355200000000, -0.0155251800000000 ] - [ -0.0325012800000000, 0.1867188500000000, 0.0143461400000000 ] - [ -0.0325205500000000, 0.1866631600000000, 0.0142967600000000 ] - [ -0.0325012800000000, 0.1867188500000000, -0.0143461400000000 ] - [ -0.0325205500000000, 0.1866631600000000, -0.0142967600000000 ] - [ -0.0324662200000000, -0.1868088000000000, 0.0143899500000000 ] - [ -0.0344354300000000, -0.1857355200000000, 0.0155251800000000 ] - [ 0.0324622800000000, 0.1867912000000000, 0.0144605100000000 ] - [ 0.0324952400000000, 0.1867110000000000, 0.0143403700000000 ] - [ 0.0322060100000000, -0.1863930500000000, -0.0146169400000000 ] - [ 0.0323777800000000, -0.1867803600000000, -0.0143843400000000 ] - [ -0.0584396300000000, 0.0453921700000000, 0.0632238200000000 ] - [ -0.0587438000000000, 0.0438089100000000, 0.0656396900000000 ] - [ -0.0588042100000000, -0.0439118900000000, -0.0654870800000000 ] - [ -0.0588106300000000, -0.0439036300000000, -0.0655044400000000 ] - [ 0.0590470900000000, 0.0439805800000000, -0.0654598800000000 ] - [ 0.0586494400000000, 0.0443998000000000, -0.0655064600000000 ] - [ 0.0588062100000000, -0.0438961000000000, 0.0655005400000000 ] - [ 0.0587751800000000, -0.0439106300000000, 0.0654782000000000 ] - [ 0.0588062100000000, -0.0438961000000000, -0.0655005400000000 ] - [ 0.0587751800000000, -0.0439106300000000, -0.0654782000000000 ] - [ 0.0590470900000000, 0.0439805800000000, 0.0654598800000000 ] - [ 0.0586494400000000, 0.0443998000000000, 0.0655064600000000 ] - [ -0.0588042100000000, -0.0439118900000000, 0.0654870800000000 ] - [ -0.0588106300000000, -0.0439036300000000, 0.0655044400000000 ] - [ -0.0584396300000000, 0.0453921700000000, -0.0632238200000000 ] - [ -0.0587438000000000, 0.0438089100000000, -0.0656396900000000 ] - [ 0.0594238600000000, -0.0159347500000000, 0.0009782700000000 ] - [ 0.0600308900000000, -0.0158082000000000, 0.0011819200000000 ] - [ 0.0596781400000000, 0.0163126000000000, -0.0014503000000000 ] - [ 0.0595980600000000, 0.0162435000000000, -0.0014139800000000 ] - [ -0.0589810500000000, -0.0155521400000000, -0.0028094800000000 ] - [ -0.0601105200000000, -0.0161737900000000, -0.0014595400000000 ] - [ -0.0596471800000000, 0.0163796400000000, 0.0014528300000000 ] - [ -0.0596296100000000, 0.0163276100000000, 0.0014222400000000 ] - [ -0.0596471800000000, 0.0163796400000000, -0.0014528300000000 ] - [ -0.0596296100000000, 0.0163276100000000, -0.0014222400000000 ] - [ -0.0589810500000000, -0.0155521400000000, 0.0028094800000000 ] - [ -0.0601105200000000, -0.0161737900000000, 0.0014595400000000 ] - [ 0.0596781400000000, 0.0163126000000000, 0.0014503000000000 ] - [ 0.0595980600000000, 0.0162435000000000, 0.0014139800000000 ] - [ 0.0594238600000000, -0.0159347500000000, -0.0009782700000000 ] - [ 0.0600308900000000, -0.0158082000000000, -0.0011819200000000 ] - [ 0.0121254800000000, 0.0240767400000000, 0.0000000000000000 ] - [ 0.0142962700000000, 0.0232309700000000, 0.0000000000000000 ] - [ 0.0142465800000000, -0.0235513700000000, 0.0000000000000000 ] - [ 0.0142915300000000, -0.0234801700000000, 0.0000000000000000 ] - [ -0.0141307600000000, 0.0240516300000000, 0.0000000000000000 ] - [ -0.0143072200000000, 0.0235881500000000, 0.0000000000000000 ] - [ -0.0142570800000000, -0.0236580200000000, 0.0000000000000000 ] - [ -0.0142614700000000, -0.0236137700000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007525700000000, -0.0000183600000000, 0.0000717000000000 ] - [ -0.0008100000000000, -0.0000324500000000, 0.0000333800000000 ] - [ 0.0007823400000000, 0.0000360200000000, 0.0000471500000000 ] - [ 0.0008449800000000, 0.0000133800000000, 0.0000560900000000 ] - [ 0.0007823400000000, 0.0000360200000000, -0.0000471500000000 ] - [ 0.0008449800000000, 0.0000133800000000, -0.0000560900000000 ] - [ -0.0007525700000000, -0.0000183600000000, -0.0000717000000000 ] - [ -0.0008100000000000, -0.0000324500000000, -0.0000333800000000 ] - [ -0.0131658600000000, 0.0174298700000000, 0.0000000000000000 ] - [ -0.0088462400000000, 0.0071767900000000, 0.0000000000000000 ] - [ -0.0088571700000000, -0.0070759000000000, 0.0000000000000000 ] - [ -0.0088482300000000, -0.0070781100000000, 0.0000000000000000 ] - [ 0.0088158500000000, 0.0070424100000000, 0.0000000000000000 ] - [ 0.0088789100000000, 0.0069258200000000, 0.0000000000000000 ] - [ 0.0088498500000000, -0.0071007500000000, 0.0000000000000000 ] - [ 0.0088605900000000, -0.0071187400000000, 0.0000000000000000 ] - [ 0.0194224900000000, 0.1872101500000000, 0.0863608000000000 ] - [ 0.0192183600000000, 0.1867913300000000, 0.0862322200000000 ] - [ 0.0193477800000000, -0.1868341600000000, -0.0861565800000000 ] - [ 0.0193659800000000, -0.1869901400000000, -0.0859447300000000 ] - [ -0.0194919600000000, 0.1866950000000000, -0.0862737000000000 ] - [ -0.0195942600000000, 0.1867258400000000, -0.0861908100000000 ] - [ -0.0193716200000000, -0.1866586500000000, 0.0864127600000000 ] - [ -0.0193732500000000, -0.1867637600000000, 0.0862679100000000 ] - [ -0.0193716200000000, -0.1866586500000000, -0.0864127600000000 ] - [ -0.0193732500000000, -0.1867637600000000, -0.0862679100000000 ] - [ -0.0194919600000000, 0.1866950000000000, 0.0862737000000000 ] - [ -0.0195942600000000, 0.1867258400000000, 0.0861908100000000 ] - [ 0.0193477800000000, -0.1868341600000000, 0.0861565800000000 ] - [ 0.0193659800000000, -0.1869901400000000, 0.0859447300000000 ] - [ 0.0194224900000000, 0.1872101500000000, -0.0863608000000000 ] - [ 0.0192183600000000, 0.1867913300000000, -0.0862322200000000 ] - [ -0.0380672800000000, -0.0866167900000000, -0.1325292300000000 ] - [ -0.0377956900000000, -0.0861752100000000, -0.1323482900000000 ] - [ -0.0375816700000000, 0.0862519300000000, 0.1323660600000000 ] - [ -0.0376265100000000, 0.0862215900000000, 0.1322507600000000 ] - [ 0.0376546000000000, -0.0864081100000000, 0.1316424500000000 ] - [ 0.0374159900000000, -0.0862868200000000, 0.1323914700000000 ] - [ 0.0376178100000000, 0.0862278100000000, -0.1323653400000000 ] - [ 0.0376386900000000, 0.0862173700000000, -0.1323473800000000 ] - [ 0.0376178100000000, 0.0862278100000000, 0.1323653400000000 ] - [ 0.0376386900000000, 0.0862173700000000, 0.1323473800000000 ] - [ 0.0376546000000000, -0.0864081100000000, -0.1316424500000000 ] - [ 0.0374159900000000, -0.0862868200000000, -0.1323914700000000 ] - [ -0.0375816700000000, 0.0862519300000000, -0.1323660600000000 ] - [ -0.0376265100000000, 0.0862215900000000, -0.1322507600000000 ] - [ -0.0380672800000000, -0.0866167900000000, 0.1325292300000000 ] - [ -0.0377956900000000, -0.0861752100000000, 0.1323482900000000 ] - [ 0.0196372900000000, 0.0199496300000000, -0.0443991800000000 ] - [ 0.0196865800000000, 0.0200508600000000, -0.0446411400000000 ] - [ 0.0194560500000000, -0.0200653000000000, 0.0445076200000000 ] - [ 0.0194746400000000, -0.0201604700000000, 0.0447828100000000 ] - [ -0.0190551800000000, 0.0203051500000000, 0.0448758500000000 ] - [ -0.0193897900000000, 0.0206911200000000, 0.0450104300000000 ] - [ -0.0195067500000000, -0.0200715200000000, -0.0446838700000000 ] - [ -0.0195453200000000, -0.0201399500000000, -0.0447843000000000 ] - [ -0.0195067500000000, -0.0200715200000000, 0.0446838700000000 ] - [ -0.0195453200000000, -0.0201399500000000, 0.0447843000000000 ] - [ -0.0190551800000000, 0.0203051500000000, -0.0448758500000000 ] - [ -0.0193897900000000, 0.0206911200000000, -0.0450104300000000 ] - [ 0.0194560500000000, -0.0200653000000000, -0.0445076200000000 ] - [ 0.0194746400000000, -0.0201604700000000, -0.0447828100000000 ] - [ 0.0196372900000000, 0.0199496300000000, 0.0443991800000000 ] - [ 0.0196865800000000, 0.0200508600000000, 0.0446411400000000 ] - [ 0.0327786800000000, -0.1870512300000000, 0.0141017300000000 ] - [ 0.0326080800000000, -0.1866658200000000, 0.0143355200000000 ] - [ 0.0325234300000000, 0.1866529100000000, -0.0142582500000000 ] - [ 0.0324903700000000, 0.1867335000000000, -0.0143784500000000 ] - [ -0.0325169000000000, -0.1866384400000000, -0.0143304900000000 ] - [ -0.0305860500000000, -0.1876993300000000, -0.0132153300000000 ] - [ -0.0324825500000000, 0.1867254400000000, 0.0143718900000000 ] - [ -0.0324631400000000, 0.1867812000000000, 0.0144220700000000 ] - [ -0.0324825500000000, 0.1867254400000000, -0.0143718900000000 ] - [ -0.0324631400000000, 0.1867812000000000, -0.0144220700000000 ] - [ -0.0325169000000000, -0.1866384400000000, 0.0143304900000000 ] - [ -0.0305860500000000, -0.1876993300000000, 0.0132153300000000 ] - [ 0.0325234300000000, 0.1866529100000000, 0.0142582500000000 ] - [ 0.0324903700000000, 0.1867335000000000, 0.0143784500000000 ] - [ 0.0327786800000000, -0.1870512300000000, -0.0141017300000000 ] - [ 0.0326080800000000, -0.1866658200000000, -0.0143355200000000 ] - [ -0.0591727200000000, 0.0423711500000000, 0.0678251000000000 ] - [ -0.0588578800000000, 0.0439958300000000, 0.0653486300000000 ] - [ -0.0587969400000000, -0.0438951400000000, -0.0655012300000000 ] - [ -0.0587904500000000, -0.0439034400000000, -0.0654838400000000 ] - [ 0.0585555100000000, 0.0438257300000000, -0.0655283400000000 ] - [ 0.0589526800000000, 0.0434048700000000, -0.0654804800000000 ] - [ 0.0587968400000000, -0.0439109000000000, 0.0654877000000000 ] - [ 0.0588281200000000, -0.0438968900000000, 0.0655101000000000 ] - [ 0.0587968400000000, -0.0439109000000000, -0.0654877000000000 ] - [ 0.0588281200000000, -0.0438968900000000, -0.0655101000000000 ] - [ 0.0585555100000000, 0.0438257300000000, 0.0655283400000000 ] - [ 0.0589526800000000, 0.0434048700000000, 0.0654804800000000 ] - [ -0.0587969400000000, -0.0438951400000000, 0.0655012300000000 ] - [ -0.0587904500000000, -0.0439034400000000, 0.0654838400000000 ] - [ -0.0591727200000000, 0.0423711500000000, -0.0678251000000000 ] - [ -0.0588578800000000, 0.0439958300000000, -0.0653486300000000 ] - [ 0.0598531200000000, -0.0167004400000000, 0.0019002900000000 ] - [ 0.0592430500000000, -0.0168290600000000, 0.0016979900000000 ] - [ 0.0595958200000000, 0.0163231100000000, -0.0014299200000000 ] - [ 0.0596759300000000, 0.0163916900000000, -0.0014661500000000 ] - [ -0.0602700400000000, -0.0170471200000000, -0.0001098300000000 ] - [ -0.0591594500000000, -0.0164628600000000, -0.0014211700000000 ] - [ -0.0596247700000000, 0.0162559000000000, 0.0014276700000000 ] - [ -0.0596424700000000, 0.0163079700000000, 0.0014580200000000 ] - [ -0.0596247700000000, 0.0162559000000000, -0.0014276700000000 ] - [ -0.0596424700000000, 0.0163079700000000, -0.0014580200000000 ] - [ -0.0602700400000000, -0.0170471200000000, 0.0001098300000000 ] - [ -0.0591594500000000, -0.0164628600000000, 0.0014211700000000 ] - [ 0.0595958200000000, 0.0163231100000000, 0.0014299200000000 ] - [ 0.0596759300000000, 0.0163916900000000, 0.0014661500000000 ] - [ 0.0598531200000000, -0.0167004400000000, -0.0019002900000000 ] - [ 0.0592430500000000, -0.0168290600000000, -0.0016979900000000 ] - [ 0.0164453300000000, 0.0230683600000000, 0.0000000000000000 ] - [ 0.0142348900000000, 0.0239242000000000, 0.0000000000000000 ] - [ 0.0142899100000000, -0.0236091600000000, 0.0000000000000000 ] - [ 0.0142449200000000, -0.0236795100000000, 0.0000000000000000 ] - [ -0.0144049700000000, 0.0231057700000000, 0.0000000000000000 ] - [ -0.0142271000000000, 0.0235691500000000, 0.0000000000000000 ] - [ -0.0142777700000000, -0.0235021300000000, 0.0000000000000000 ] - [ -0.0142729200000000, -0.0235463700000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007802500000000, -0.0000414800000000, 0.0000271600000000 ] - [ -0.0008089900000000, 0.0000031600000000, 0.0000278200000000 ] - [ 0.0007748700000000, -0.0000538300000000, 0.0000496100000000 ] - [ 0.0008453300000000, -0.0000584800000000, 0.0000559100000000 ] - [ 0.0008370600000000, 0.0000548500000000, 0.0000496200000000 ] - [ 0.0007656000000000, 0.0000599700000000, 0.0000564600000000 ] - [ -0.0008310000000000, 0.0000418900000000, 0.0000284000000000 ] - [ -0.0008020900000000, -0.0000028700000000, 0.0000278200000000 ] - [ -0.0088604000000000, 0.0070935700000000, -0.0114291400000000 ] - [ -0.0088519200000000, 0.0070924300000000, -0.0000962100000000 ] - [ -0.0088517000000000, -0.0070920400000000, 0.0000577000000000 ] - [ -0.0088516800000000, -0.0070919800000000, 0.0000415200000000 ] - [ 0.0088519100000000, 0.0070924100000000, -0.0000619200000000 ] - [ 0.0088519100000000, 0.0070925600000000, -0.0001104900000000 ] - [ 0.0088518500000000, -0.0070919300000000, 0.0000540400000000 ] - [ 0.0088518000000000, -0.0070918700000000, 0.0000815600000000 ] - [ 0.0193698600000000, 0.1864679400000000, 0.0862146300000000 ] - [ 0.0193656500000000, 0.1866532500000000, 0.0862799400000000 ] - [ 0.0193577100000000, -0.1867865500000000, -0.0862861400000000 ] - [ 0.0194075300000000, -0.1867766200000000, -0.0862815000000000 ] - [ -0.0193175600000000, 0.1864921800000000, -0.0864243700000000 ] - [ -0.0188875100000000, 0.1868765700000000, -0.0861802500000000 ] - [ -0.0193108500000000, -0.1868789300000000, 0.0860594300000000 ] - [ -0.0193358400000000, -0.1868376400000000, 0.0861777300000000 ] - [ -0.0194155900000000, -0.1866961600000000, -0.0863875800000000 ] - [ -0.0193908800000000, -0.1867375900000000, -0.0862694700000000 ] - [ -0.0194063800000000, 0.1870878300000000, 0.0860194100000000 ] - [ -0.0198423400000000, 0.1866997700000000, 0.0862669600000000 ] - [ 0.0193699100000000, -0.1867884200000000, 0.0861606700000000 ] - [ 0.0193202900000000, -0.1867998100000000, 0.0861649500000000 ] - [ 0.0193583300000000, 0.1871078100000000, -0.0862333000000000 ] - [ 0.0193607600000000, 0.1869213500000000, -0.0861677700000000 ] - [ -0.0372481500000000, -0.0858767500000000, -0.1322766600000000 ] - [ -0.0374932200000000, -0.0861783600000000, -0.1323262700000000 ] - [ -0.0376378600000000, 0.0862487300000000, 0.1322902700000000 ] - [ -0.0376869000000000, 0.0862649300000000, 0.1322225900000000 ] - [ 0.0366174100000000, -0.0853278600000000, 0.1342235200000000 ] - [ 0.0376741000000000, -0.0861570300000000, 0.1323168900000000 ] - [ 0.0375975000000000, 0.0862318400000000, -0.1324042100000000 ] - [ 0.0376169600000000, 0.0862558900000000, -0.1323994900000000 ] - [ 0.0376296000000000, 0.0862315800000000, 0.1323006300000000 ] - [ 0.0376098500000000, 0.0862079300000000, 0.1323053400000000 ] - [ 0.0386552600000000, -0.0871547900000000, -0.1304243000000000 ] - [ 0.0375534500000000, -0.0863075300000000, -0.1323893500000000 ] - [ -0.0375888900000000, 0.0862151800000000, -0.1324137200000000 ] - [ -0.0375400300000000, 0.0861993500000000, -0.1324813100000000 ] - [ -0.0379796500000000, -0.0865871500000000, 0.1324295900000000 ] - [ -0.0377330300000000, -0.0862839600000000, 0.1323785800000000 ] - [ 0.0193420800000000, 0.0199621800000000, -0.0443503600000000 ] - [ 0.0193807800000000, 0.0200939800000000, -0.0445845300000000 ] - [ 0.0195307200000000, -0.0205579100000000, 0.0451050500000000 ] - [ 0.0195094500000000, -0.0202032200000000, 0.0447678600000000 ] - [ -0.0203210100000000, 0.0197946900000000, 0.0447821200000000 ] - [ -0.0191050900000000, 0.0203663700000000, 0.0449934500000000 ] - [ -0.0194930000000000, -0.0201174000000000, -0.0447099800000000 ] - [ -0.0194523200000000, -0.0200756200000000, -0.0446979500000000 ] - [ -0.0194750000000000, -0.0201153000000000, 0.0446907700000000 ] - [ -0.0195154000000000, -0.0201570400000000, 0.0447017300000000 ] - [ -0.0186460500000000, 0.0204406100000000, -0.0446195100000000 ] - [ -0.0198687600000000, 0.0198701200000000, -0.0444096700000000 ] - [ 0.0194374400000000, -0.0196807500000000, -0.0443008900000000 ] - [ 0.0194585800000000, -0.0200305300000000, -0.0446335200000000 ] - [ 0.0196265100000000, 0.0202737800000000, 0.0450499700000000 ] - [ 0.0195873100000000, 0.0201406600000000, 0.0448175900000000 ] - [ 0.0327502600000000, -0.1868000400000000, 0.0140327900000000 ] - [ 0.0325821900000000, -0.1866087500000000, 0.0142843000000000 ] - [ 0.0324057600000000, 0.1868594200000000, -0.0145171600000000 ] - [ 0.0324743800000000, 0.1867200000000000, -0.0143783100000000 ] - [ -0.0325269500000000, -0.1867908700000000, -0.0144724700000000 ] - [ -0.0305506800000000, -0.1883254000000000, -0.0134314000000000 ] - [ -0.0324907200000000, 0.1867784200000000, 0.0143875200000000 ] - [ -0.0324877000000000, 0.1867354800000000, 0.0143520500000000 ] - [ -0.0324941400000000, 0.1866674000000000, -0.0143315300000000 ] - [ -0.0324970600000000, 0.1867099200000000, -0.0143668900000000 ] - [ -0.0324576600000000, -0.1866554500000000, 0.0142463900000000 ] - [ -0.0344693100000000, -0.1850943800000000, 0.0152966700000000 ] - [ 0.0325783900000000, 0.1865885900000000, 0.0142038900000000 ] - [ 0.0325104600000000, 0.1867261200000000, 0.0143410900000000 ] - [ 0.0322341500000000, -0.1866427700000000, -0.0146872900000000 ] - [ 0.0324036400000000, -0.1868359300000000, -0.0144356800000000 ] - [ -0.0591457200000000, 0.0416425200000000, 0.0679920300000000 ] - [ -0.0588148400000000, 0.0437504700000000, 0.0656071400000000 ] - [ -0.0587836800000000, -0.0438588300000000, -0.0655153500000000 ] - [ -0.0587959200000000, -0.0438814900000000, -0.0655217200000000 ] - [ 0.0587049800000000, 0.0438978700000000, -0.0655013000000000 ] - [ 0.0589522400000000, 0.0437316300000000, -0.0654242500000000 ] - [ 0.0588211700000000, -0.0439291700000000, 0.0654715200000000 ] - [ 0.0588085400000000, -0.0439725100000000, 0.0654490600000000 ] - [ 0.0587811500000000, -0.0438764900000000, -0.0655172500000000 ] - [ 0.0587939200000000, -0.0438330300000000, -0.0655396900000000 ] - [ 0.0588959500000000, 0.0439095100000000, 0.0654879300000000 ] - [ 0.0586495800000000, 0.0440733300000000, 0.0655647400000000 ] - [ -0.0588189300000000, -0.0439470500000000, 0.0654729900000000 ] - [ -0.0588064700000000, -0.0439241600000000, 0.0654670200000000 ] - [ -0.0584689400000000, 0.0460989000000000, -0.0630487400000000 ] - [ -0.0587862100000000, 0.0440559400000000, -0.0653819900000000 ] - [ 0.0597305300000000, -0.0160834700000000, 0.0013148100000000 ] - [ 0.0590954700000000, -0.0164880800000000, 0.0013679100000000 ] - [ 0.0596379400000000, 0.0162593400000000, -0.0013989000000000 ] - [ 0.0595504100000000, 0.0162404200000000, -0.0013630800000000 ] - [ -0.0602367400000000, -0.0171363000000000, -0.0008536000000000 ] - [ -0.0593537400000000, -0.0165572300000000, -0.0014909200000000 ] - [ -0.0597215700000000, 0.0164064700000000, 0.0015073800000000 ] - [ -0.0596860300000000, 0.0163787700000000, 0.0014533600000000 ] - [ -0.0595512200000000, 0.0162308800000000, -0.0013732600000000 ] - [ -0.0595863200000000, 0.0162582400000000, -0.0014272400000000 ] - [ -0.0590256600000000, -0.0154773800000000, 0.0020361300000000 ] - [ -0.0599154600000000, -0.0160775100000000, 0.0013898700000000 ] - [ 0.0596359100000000, 0.0163775900000000, 0.0014818400000000 ] - [ 0.0597226400000000, 0.0163961800000000, 0.0015175300000000 ] - [ 0.0595418600000000, -0.0165507900000000, -0.0015626200000000 ] - [ 0.0601784200000000, -0.0161443100000000, -0.0015107400000000 ] - [ 0.0142622200000000, 0.0235820600000000, -0.0002775500000000 ] - [ 0.0142675000000000, 0.0235785200000000, 0.0000568600000000 ] - [ 0.0142676000000000, -0.0235793900000000, 0.0000266500000000 ] - [ 0.0142678700000000, -0.0235792200000000, 0.0000256100000000 ] - [ -0.0142686200000000, 0.0235775000000000, -0.0005113600000000 ] - [ -0.0142674700000000, 0.0235796200000000, -0.0000705000000000 ] - [ -0.0142676300000000, -0.0235795800000000, 0.0000414600000000 ] - [ -0.0142677600000000, -0.0235795100000000, 0.0001068000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033304400000000, -0.0027654300000000, -0.0016728100000000 ] - [ -0.0005082300000000, 0.0001634700000000, 0.0000693500000000 ] - [ 0.0008107300000000, 0.0000182400000000, 0.0000070600000000 ] - [ 0.0007987900000000, 0.0000170400000000, 0.0000161700000000 ] - [ 0.0009219400000000, 0.0002751900000000, -0.0000168000000000 ] - [ 0.0008880600000000, 0.0002774700000000, -0.0002200500000000 ] - [ -0.0008433000000000, -0.0000347600000000, -0.0000614200000000 ] - [ -0.0007811900000000, -0.0000060900000000, -0.0000370100000000 ] - [ -0.0091275700000000, 0.0070335000000000, 0.0000060100000000 ] - [ -0.0087219500000000, 0.0072370400000000, 0.0000025100000000 ] - [ -0.0089017900000000, -0.0071077300000000, 0.0000055100000000 ] - [ -0.0088563200000000, -0.0070890000000000, -0.0000441000000000 ] - [ 0.0087159700000000, 0.0069625200000000, 0.0000438900000000 ] - [ 0.0086404800000000, 0.0068600400000000, 0.0004798900000000 ] - [ 0.0088600900000000, -0.0070839300000000, -0.0000521500000000 ] - [ 0.0088507100000000, -0.0070827200000000, -0.0000276800000000 ] - [ -0.0215183800000000, 0.1764546600000000, 0.0779648900000000 ] - [ 0.0190474300000000, 0.1850602200000000, 0.0852992800000000 ] - [ 0.0192167900000000, -0.1868701200000000, -0.0860903900000000 ] - [ 0.0192710200000000, -0.1869397400000000, -0.0861050600000000 ] - [ -0.0194585800000000, 0.1869171700000000, -0.0861078100000000 ] - [ -0.0195780500000000, 0.1866479000000000, -0.0864216900000000 ] - [ -0.0194242800000000, -0.1868106300000000, 0.0862589300000000 ] - [ -0.0193245600000000, -0.1868051600000000, 0.0862818500000000 ] - [ -0.0192562400000000, -0.1870151700000000, -0.0858886400000000 ] - [ -0.0191523700000000, -0.1873945300000000, -0.0854668500000000 ] - [ -0.0191465100000000, 0.1866400300000000, 0.0859113500000000 ] - [ -0.0194866700000000, 0.1867404200000000, 0.0862612700000000 ] - [ 0.0193089900000000, -0.1868539000000000, 0.0861062700000000 ] - [ 0.0193510500000000, -0.1868006800000000, 0.0862380900000000 ] - [ 0.0189483400000000, 0.1870303100000000, -0.0861326900000000 ] - [ 0.0193948600000000, 0.1868024200000000, -0.0862614000000000 ] - [ -0.0222367900000000, -0.0727584200000000, -0.1222993700000000 ] - [ -0.0282010000000000, -0.0882871800000000, -0.1348280000000000 ] - [ -0.0375694800000000, 0.0861855800000000, 0.1324274800000000 ] - [ -0.0376543800000000, 0.0861834900000000, 0.1324486200000000 ] - [ 0.0377558900000000, -0.0868846500000000, 0.1325109600000000 ] - [ 0.0376122200000000, -0.0861919600000000, 0.1323601100000000 ] - [ 0.0376355200000000, 0.0862811100000000, -0.1323046200000000 ] - [ 0.0375872200000000, 0.0862209400000000, -0.1323547200000000 ] - [ 0.0375616100000000, 0.0868416800000000, 0.1314254100000000 ] - [ 0.0378301000000000, 0.0864017500000000, 0.1322092300000000 ] - [ 0.0375942300000000, -0.0858187100000000, -0.1321290300000000 ] - [ 0.0378486100000000, -0.0863672000000000, -0.1326063100000000 ] - [ -0.0375827300000000, 0.0862735400000000, -0.1323273800000000 ] - [ -0.0376561300000000, 0.0862360200000000, -0.1323950800000000 ] - [ -0.0376679500000000, -0.0862726900000000, 0.1323469100000000 ] - [ -0.0378579100000000, -0.0861680000000000, 0.1323498800000000 ] - [ 0.0203215300000000, 0.0219594900000000, -0.0437947100000000 ] - [ 0.0221841500000000, 0.0178524900000000, -0.0440195000000000 ] - [ 0.0196745200000000, -0.0201938400000000, 0.0446199100000000 ] - [ 0.0194446300000000, -0.0199090200000000, 0.0446011700000000 ] - [ -0.0191604700000000, 0.0202272800000000, 0.0446838200000000 ] - [ -0.0194695900000000, 0.0200935900000000, 0.0447452600000000 ] - [ -0.0195290400000000, -0.0201788100000000, -0.0448325100000000 ] - [ -0.0194546600000000, -0.0201002000000000, -0.0446415800000000 ] - [ -0.0168553900000000, -0.0214027900000000, 0.0459589700000000 ] - [ -0.0194075700000000, -0.0196620700000000, 0.0444018400000000 ] - [ -0.0192041500000000, 0.0205763200000000, -0.0450482100000000 ] - [ -0.0196251600000000, 0.0200616000000000, -0.0447247500000000 ] - [ 0.0196903400000000, -0.0204450400000000, -0.0447571700000000 ] - [ 0.0194831600000000, -0.0200794000000000, -0.0445609400000000 ] - [ 0.0195429400000000, 0.0201374200000000, 0.0446012900000000 ] - [ 0.0197338900000000, 0.0200162800000000, 0.0447761400000000 ] - [ 0.0321087500000000, -0.1865611900000000, 0.0142924300000000 ] - [ 0.0341618700000000, -0.1857339900000000, 0.0135549200000000 ] - [ 0.0326071700000000, 0.1867274600000000, -0.0143505200000000 ] - [ 0.0324012500000000, 0.1866736000000000, -0.0144190400000000 ] - [ -0.0326401900000000, -0.1867872300000000, -0.0144108100000000 ] - [ -0.0325396700000000, -0.1867000700000000, -0.0143461400000000 ] - [ -0.0324265200000000, 0.1867525800000000, 0.0145048800000000 ] - [ -0.0324527600000000, 0.1866995900000000, 0.0143740800000000 ] - [ -0.0326650800000000, 0.1872015400000000, -0.0150937200000000 ] - [ -0.0324648500000000, 0.1865210900000000, -0.0143586300000000 ] - [ -0.0305061600000000, -0.1862558000000000, 0.0150272800000000 ] - [ -0.0318596400000000, -0.1864136800000000, 0.0145496100000000 ] - [ 0.0322776300000000, 0.1868471200000000, 0.0144309800000000 ] - [ 0.0325134300000000, 0.1866108000000000, 0.0142876600000000 ] - [ 0.0326332200000000, -0.1867496900000000, -0.0144036400000000 ] - [ 0.0325260800000000, -0.1866942500000000, -0.0144893700000000 ] - [ -0.0590555800000000, 0.0442592200000000, 0.0652628300000000 ] - [ -0.0582116000000000, 0.0438383400000000, 0.0648242900000000 ] - [ -0.0589241400000000, -0.0440640200000000, -0.0654425300000000 ] - [ -0.0587102900000000, -0.0438105500000000, -0.0653020100000000 ] - [ 0.0589137500000000, 0.0439087900000000, -0.0655641300000000 ] - [ 0.0588658300000000, 0.0437429100000000, -0.0656369700000000 ] - [ 0.0587812200000000, -0.0438650700000000, 0.0655053500000000 ] - [ 0.0587777100000000, -0.0438204200000000, 0.0655097600000000 ] - [ 0.0588898700000000, -0.0445167400000000, -0.0652530000000000 ] - [ 0.0586898300000000, -0.0437660700000000, -0.0654060500000000 ] - [ 0.0576025700000000, 0.0425926500000000, 0.0649664600000000 ] - [ 0.0590244100000000, 0.0455142300000000, 0.0642872500000000 ] - [ -0.0587895200000000, -0.0439028600000000, 0.0654703800000000 ] - [ -0.0587746100000000, -0.0438646400000000, 0.0654894700000000 ] - [ -0.0588709600000000, 0.0439109700000000, -0.0654637800000000 ] - [ -0.0587172100000000, 0.0440066700000000, -0.0654030800000000 ] - [ 0.0608610300000000, -0.0156647600000000, 0.0000783700000000 ] - [ 0.0598510100000000, -0.0164281800000000, 0.0015173400000000 ] - [ 0.0598286700000000, 0.0165517200000000, -0.0015360900000000 ] - [ 0.0596532400000000, 0.0164112900000000, -0.0015005500000000 ] - [ -0.0596647900000000, -0.0157566200000000, -0.0011565000000000 ] - [ -0.0596312400000000, -0.0162287200000000, -0.0013886300000000 ] - [ -0.0596408000000000, 0.0162541100000000, 0.0014132400000000 ] - [ -0.0596554800000000, 0.0162838400000000, 0.0013586000000000 ] - [ -0.0596053600000000, 0.0164036100000000, -0.0013829000000000 ] - [ -0.0597726700000000, 0.0164700400000000, -0.0014356900000000 ] - [ -0.0603025000000000, -0.0146685800000000, 0.0033748400000000 ] - [ -0.0591880100000000, -0.0155496200000000, 0.0017965400000000 ] - [ 0.0597186400000000, 0.0162532800000000, 0.0014444300000000 ] - [ 0.0595974800000000, 0.0163397200000000, 0.0014457200000000 ] - [ 0.0598651700000000, -0.0167788200000000, -0.0016456800000000 ] - [ 0.0596120000000000, -0.0163136800000000, -0.0014508700000000 ] - [ 0.0142538100000000, 0.0223807500000000, 0.0022937800000000 ] - [ 0.0143309400000000, 0.0235708600000000, 0.0001476400000000 ] - [ 0.0143303800000000, -0.0235809300000000, 0.0001903300000000 ] - [ 0.0142979100000000, -0.0236606900000000, -0.0000288400000000 ] - [ -0.0139312700000000, 0.0237599700000000, -0.0002579200000000 ] - [ -0.0140546300000000, 0.0235838500000000, 0.0006085400000000 ] - [ -0.0143007200000000, -0.0235842500000000, 0.0000086600000000 ] - [ -0.0142564100000000, -0.0236561900000000, -0.0000775200000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0050632300000000, 0.0028599100000000, 0.0017298600000000 ] - [ -0.0011019500000000, -0.0001624400000000, -0.0000626200000000 ] - [ 0.0007986500000000, -0.0000184400000000, -0.0000118600000000 ] - [ 0.0008108400000000, -0.0000170100000000, -0.0000208600000000 ] - [ 0.0006865400000000, -0.0002738300000000, 0.0000186800000000 ] - [ 0.0007242500000000, -0.0002756700000000, 0.0002222500000000 ] - [ -0.0007665900000000, 0.0000341000000000, 0.0000562700000000 ] - [ -0.0008280600000000, 0.0000058500000000, 0.0000322300000000 ] - [ -0.0085837100000000, 0.0071490600000000, -0.0000060300000000 ] - [ -0.0089857300000000, 0.0069450800000000, -0.0000035700000000 ] - [ -0.0088062900000000, -0.0070741000000000, -0.0000059000000000 ] - [ -0.0088506100000000, -0.0070914900000000, 0.0000441900000000 ] - [ 0.0089911900000000, 0.0072179100000000, -0.0000456900000000 ] - [ 0.0090695200000000, 0.0073197200000000, -0.0004755900000000 ] - [ 0.0088486000000000, -0.0070993200000000, 0.0000530400000000 ] - [ 0.0088577500000000, -0.0071000900000000, 0.0000281200000000 ] - [ 0.0601945900000000, 0.1977292400000000, 0.0949297800000000 ] - [ 0.0196522300000000, 0.1885041800000000, 0.0871336800000000 ] - [ 0.0195128400000000, -0.1867046500000000, -0.0863598300000000 ] - [ 0.0194550100000000, -0.1866353300000000, -0.0863425500000000 ] - [ -0.0192714600000000, 0.1866571600000000, -0.0863408700000000 ] - [ -0.0191490300000000, 0.1869278000000000, -0.0860230000000000 ] - [ -0.0193025500000000, -0.1867638500000000, 0.0861901900000000 ] - [ -0.0194017600000000, -0.1867689200000000, 0.0861692800000000 ] - [ -0.0194730000000000, -0.1865592000000000, -0.0865616100000000 ] - [ -0.0195716900000000, -0.1861871100000000, -0.0869705700000000 ] - [ -0.0195805600000000, 0.1869407400000000, 0.0865361000000000 ] - [ -0.0192393900000000, 0.1868392500000000, 0.0861811100000000 ] - [ 0.0194184600000000, -0.1867195600000000, 0.0863443400000000 ] - [ 0.0193760300000000, -0.1867730400000000, 0.0862122400000000 ] - [ 0.0197764700000000, 0.1865454000000000, -0.0863146600000000 ] - [ 0.0193315000000000, 0.1867746800000000, -0.0861825400000000 ] - [ -0.0533351200000000, -0.1002105400000000, -0.1427648000000000 ] - [ -0.0468342400000000, -0.0842195800000000, -0.1299105900000000 ] - [ -0.0376667500000000, 0.0862802600000000, 0.1322717900000000 ] - [ -0.0375786000000000, 0.0862835400000000, 0.1322551300000000 ] - [ 0.0374763600000000, -0.0855831000000000, 0.1321940100000000 ] - [ 0.0376169700000000, -0.0862753000000000, 0.1323398700000000 ] - [ 0.0375992000000000, 0.0861854200000000, -0.1323975500000000 ] - [ 0.0376474400000000, 0.0862455100000000, -0.1323476200000000 ] - [ 0.0376582800000000, 0.0856226600000000, 0.1332996900000000 ] - [ 0.0374018300000000, 0.0860692000000000, 0.1324946400000000 ] - [ 0.0376373000000000, -0.0866488900000000, -0.1325716000000000 ] - [ 0.0373810000000000, -0.0861050700000000, -0.1320939700000000 ] - [ -0.0376508500000000, 0.0861926600000000, -0.1323743400000000 ] - [ -0.0375776600000000, 0.0862305800000000, -0.1323078100000000 ] - [ -0.0375637200000000, -0.0861946500000000, 0.1323542000000000 ] - [ -0.0373749100000000, -0.0862986900000000, 0.1323501000000000 ] - [ 0.0186372200000000, 0.0182275600000000, -0.0456453900000000 ] - [ 0.0171175000000000, 0.0222354900000000, -0.0454141700000000 ] - [ 0.0192954300000000, -0.0200411800000000, 0.0447872800000000 ] - [ 0.0195285300000000, -0.0203269700000000, 0.0448075600000000 ] - [ -0.0198056400000000, 0.0200047900000000, 0.0447129700000000 ] - [ -0.0194972100000000, 0.0201387100000000, 0.0446513300000000 ] - [ -0.0194435700000000, -0.0200549100000000, -0.0445747300000000 ] - [ -0.0195176900000000, -0.0201365000000000, -0.0447651700000000 ] - [ -0.0221106600000000, -0.0188515500000000, 0.0434631600000000 ] - [ -0.0195616000000000, -0.0205750400000000, 0.0450023000000000 ] - [ -0.0197598200000000, 0.0196608000000000, -0.0443529300000000 ] - [ -0.0193400200000000, 0.0201722500000000, -0.0446790400000000 ] - [ 0.0192816400000000, -0.0197903400000000, -0.0446469500000000 ] - [ 0.0194885000000000, -0.0201572200000000, -0.0448459500000000 ] - [ 0.0194260100000000, 0.0200955300000000, 0.0447966900000000 ] - [ 0.0192366900000000, 0.0202143700000000, 0.0446227400000000 ] - [ 0.0328764300000000, -0.1868937100000000, 0.0144244800000000 ] - [ 0.0308593400000000, -0.1876801300000000, 0.0151408000000000 ] - [ 0.0323760300000000, 0.1867184300000000, -0.0143707000000000 ] - [ 0.0325817700000000, 0.1867714900000000, -0.0143033500000000 ] - [ -0.0323469800000000, -0.1866589200000000, -0.0143071400000000 ] - [ -0.0324460400000000, -0.1867448900000000, -0.0143702800000000 ] - [ -0.0325601000000000, 0.1866915700000000, 0.0142171600000000 ] - [ -0.0325311400000000, 0.1867466700000000, 0.0143470200000000 ] - [ -0.0323133800000000, 0.1862695800000000, -0.0136571900000000 ] - [ -0.0325223900000000, 0.1869247200000000, -0.0143598700000000 ] - [ -0.0344548800000000, -0.1871764200000000, 0.0137004600000000 ] - [ -0.0331392100000000, -0.1870409100000000, 0.0141647300000000 ] - [ 0.0327081500000000, 0.1865974200000000, 0.0142887200000000 ] - [ 0.0324703600000000, 0.1868351500000000, 0.0144326700000000 ] - [ 0.0323529400000000, -0.1866950200000000, -0.0143140800000000 ] - [ 0.0324605300000000, -0.1867495100000000, -0.0142294900000000 ] - [ -0.0585478600000000, 0.0435554900000000, 0.0657316500000000 ] - [ -0.0593734100000000, 0.0439665500000000, 0.0661556300000000 ] - [ -0.0586793000000000, -0.0437439000000000, -0.0655455800000000 ] - [ -0.0588879000000000, -0.0439941400000000, -0.0656766800000000 ] - [ 0.0586918600000000, 0.0439000700000000, -0.0654291900000000 ] - [ 0.0587391200000000, 0.0440653100000000, -0.0653574700000000 ] - [ 0.0588234800000000, -0.0439434200000000, 0.0654851800000000 ] - [ 0.0588258600000000, -0.0439865900000000, 0.0654804800000000 ] - [ 0.0587138800000000, -0.0432940300000000, -0.0657346400000000 ] - [ 0.0589151100000000, -0.0440422500000000, -0.0655867200000000 ] - [ 0.0599778700000000, 0.0451916600000000, 0.0660175300000000 ] - [ 0.0585660100000000, 0.0423397700000000, 0.0667066300000000 ] - [ -0.0588141300000000, -0.0439043900000000, 0.0655197900000000 ] - [ -0.0588285500000000, -0.0439422400000000, 0.0655011200000000 ] - [ -0.0587340800000000, 0.0438970700000000, -0.0655294100000000 ] - [ -0.0588868400000000, 0.0438033800000000, -0.0655896100000000 ] - [ 0.0583931300000000, -0.0169612500000000, 0.0027841600000000 ] - [ 0.0594162600000000, -0.0162124300000000, 0.0013691100000000 ] - [ 0.0594395200000000, 0.0160787900000000, -0.0013430700000000 ] - [ 0.0596153500000000, 0.0162180700000000, -0.0013800800000000 ] - [ -0.0596039800000000, -0.0168747800000000, -0.0017239500000000 ] - [ -0.0596385000000000, -0.0164068700000000, -0.0014973700000000 ] - [ -0.0596277600000000, 0.0163763300000000, 0.0014673900000000 ] - [ -0.0596120100000000, 0.0163459800000000, 0.0015195600000000 ] - [ -0.0596693600000000, 0.0162238300000000, -0.0014994700000000 ] - [ -0.0594911600000000, 0.0161636400000000, -0.0014424200000000 ] - [ -0.0589848200000000, -0.0179784400000000, -0.0004912700000000 ] - [ -0.0600712100000000, -0.0170809500000000, 0.0010944600000000 ] - [ 0.0595480900000000, 0.0163770300000000, 0.0014337100000000 ] - [ 0.0596694900000000, 0.0162893900000000, 0.0014332500000000 ] - [ 0.0594046600000000, -0.0158556000000000, -0.0012359400000000 ] - [ 0.0596579400000000, -0.0163205500000000, -0.0014329700000000 ] - [ 0.0142805300000000, 0.0247797000000000, -0.0022971800000000 ] - [ 0.0142079200000000, 0.0235931000000000, -0.0001489400000000 ] - [ 0.0142050100000000, -0.0235759400000000, -0.0001914400000000 ] - [ 0.0142387100000000, -0.0234937700000000, 0.0000287600000000 ] - [ -0.0145999000000000, 0.0234029900000000, 0.0002687200000000 ] - [ -0.0144779400000000, 0.0235798300000000, -0.0006008700000000 ] - [ -0.0142327200000000, -0.0235683600000000, -0.0000083000000000 ] - [ -0.0142805300000000, -0.0234994200000000, 0.0000770200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035346400000000, 0.0011069200000000, 0.0008688600000000 ] - [ -0.0010574700000000, -0.0002958100000000, -0.0001136500000000 ] - [ 0.0008047300000000, -0.0000781400000000, 0.0000380500000000 ] - [ 0.0008108900000000, -0.0000187700000000, 0.0000149900000000 ] - [ 0.0007427600000000, 0.0002866300000000, 0.0000123900000000 ] - [ 0.0008010900000000, -0.0000758500000000, 0.0000112100000000 ] - [ -0.0007719800000000, 0.0000970600000000, 0.0000851700000000 ] - [ -0.0008051300000000, 0.0000106700000000, 0.0000476500000000 ] - [ -0.0087095200000000, 0.0066679000000000, -0.0003210300000000 ] - [ -0.0090124000000000, 0.0070888200000000, -0.0001350300000000 ] - [ -0.0088430000000000, -0.0070454900000000, 0.0000007200000000 ] - [ -0.0087460700000000, -0.0068896600000000, 0.0000118300000000 ] - [ 0.0088511700000000, 0.0071856600000000, 0.0002961900000000 ] - [ 0.0088409500000000, 0.0071543000000000, -0.0000895200000000 ] - [ 0.0088603900000000, -0.0072213500000000, 0.0000911000000000 ] - [ 0.0088397300000000, -0.0071159400000000, 0.0000502900000000 ] - [ 0.0090431800000000, 0.1387112400000000, 0.0753541300000000 ] - [ 0.0176479100000000, 0.1853212200000000, 0.0853151700000000 ] - [ 0.0194453500000000, -0.1873369200000000, -0.0864335000000000 ] - [ 0.0195150900000000, -0.1866380900000000, -0.0862890900000000 ] - [ -0.0194939000000000, 0.1863422500000000, -0.0868408400000000 ] - [ -0.0192231100000000, 0.1868371700000000, -0.0862309200000000 ] - [ -0.0193858200000000, -0.1868842600000000, 0.0861371900000000 ] - [ -0.0193809200000000, -0.1868232600000000, 0.0861519700000000 ] - [ -0.0195888900000000, -0.1867483000000000, -0.0860812000000000 ] - [ -0.0199620300000000, -0.1866408300000000, -0.0864988700000000 ] - [ -0.0192144500000000, 0.1872392300000000, 0.0862968200000000 ] - [ -0.0193169500000000, 0.1867132900000000, 0.0859864700000000 ] - [ 0.0194303100000000, -0.1867208600000000, 0.0862547900000000 ] - [ 0.0193767000000000, -0.1867647300000000, 0.0862400900000000 ] - [ 0.0196078900000000, 0.1861655700000000, -0.0867046300000000 ] - [ 0.0193782900000000, 0.1868065200000000, -0.0862480500000000 ] - [ -0.0225100400000000, -0.0593713400000000, -0.1160062500000000 ] - [ -0.0393521100000000, -0.0854800100000000, -0.1313333800000000 ] - [ -0.0377463700000000, 0.0863117400000000, 0.1322966200000000 ] - [ -0.0373935900000000, 0.0863454500000000, 0.1324924800000000 ] - [ 0.0372685800000000, -0.0854946200000000, 0.1317187400000000 ] - [ 0.0377152300000000, -0.0861898600000000, 0.1323181200000000 ] - [ 0.0376349600000000, 0.0862094300000000, -0.1324319900000000 ] - [ 0.0376617500000000, 0.0862347600000000, -0.1323753900000000 ] - [ 0.0381801800000000, 0.0859403000000000, 0.1325301900000000 ] - [ 0.0377926800000000, 0.0862366500000000, 0.1327342600000000 ] - [ 0.0379251600000000, -0.0864396700000000, -0.1329052600000000 ] - [ 0.0373779000000000, -0.0862130400000000, -0.1328074600000000 ] - [ -0.0375961800000000, 0.0861620000000000, -0.1323615600000000 ] - [ -0.0375115400000000, 0.0862131800000000, -0.1323668000000000 ] - [ -0.0376765100000000, -0.0863010300000000, 0.1324624900000000 ] - [ -0.0375502700000000, -0.0862738500000000, 0.1324009900000000 ] - [ 0.0217271200000000, 0.0182254900000000, -0.0463215700000000 ] - [ 0.0151345400000000, 0.0266781100000000, -0.0430199300000000 ] - [ 0.0192829400000000, -0.0201991300000000, 0.0449252500000000 ] - [ 0.0192356800000000, -0.0199993300000000, 0.0448534400000000 ] - [ -0.0199339600000000, 0.0199728600000000, 0.0448126300000000 ] - [ -0.0194050100000000, 0.0201062400000000, 0.0447017600000000 ] - [ -0.0193281600000000, -0.0194502100000000, -0.0442909400000000 ] - [ -0.0194662000000000, -0.0200983500000000, -0.0446819600000000 ] - [ -0.0198702800000000, -0.0144867500000000, 0.0433196100000000 ] - [ -0.0194682600000000, -0.0203943400000000, 0.0447549000000000 ] - [ -0.0195447300000000, 0.0201803600000000, -0.0447475200000000 ] - [ -0.0193733800000000, 0.0201258100000000, -0.0447198800000000 ] - [ 0.0193824200000000, -0.0198196700000000, -0.0444270200000000 ] - [ 0.0193620600000000, -0.0200347600000000, -0.0446440400000000 ] - [ 0.0194572500000000, 0.0201967800000000, 0.0448680800000000 ] - [ 0.0194816300000000, 0.0202359500000000, 0.0447837700000000 ] - [ 0.0331405100000000, -0.1867177700000000, 0.0142817800000000 ] - [ 0.0330965300000000, -0.1867994600000000, 0.0144908900000000 ] - [ 0.0324250000000000, 0.1867215600000000, -0.0144233000000000 ] - [ 0.0324663400000000, 0.1866992200000000, -0.0144216500000000 ] - [ -0.0323273200000000, -0.1867221700000000, -0.0143946000000000 ] - [ -0.0324679500000000, -0.1867342300000000, -0.0144179600000000 ] - [ -0.0328982500000000, 0.1862727700000000, 0.0140500100000000 ] - [ -0.0325316600000000, 0.1867220200000000, 0.0143363300000000 ] - [ -0.0313507300000000, 0.1893047800000000, -0.0191402500000000 ] - [ -0.0327063300000000, 0.1866438200000000, -0.0143474200000000 ] - [ -0.0326060600000000, -0.1880610500000000, 0.0139275300000000 ] - [ -0.0324305600000000, -0.1871309400000000, 0.0142107900000000 ] - [ 0.0325695300000000, 0.1865989900000000, 0.0142494500000000 ] - [ 0.0324842100000000, 0.1867217700000000, 0.0143262000000000 ] - [ 0.0325260000000000, -0.1867434900000000, -0.0144126800000000 ] - [ 0.0324982400000000, -0.1868089100000000, -0.0143764500000000 ] - [ -0.0584917800000000, 0.0440204700000000, 0.0656598900000000 ] - [ -0.0571813100000000, 0.0450584600000000, 0.0657726100000000 ] - [ -0.0588845900000000, -0.0437923000000000, -0.0654699300000000 ] - [ -0.0590699500000000, -0.0440786300000000, -0.0651684900000000 ] - [ 0.0587697600000000, 0.0438628300000000, -0.0654687400000000 ] - [ 0.0587623000000000, 0.0439226100000000, -0.0654879100000000 ] - [ 0.0589814000000000, -0.0440808800000000, 0.0654323000000000 ] - [ 0.0588629900000000, -0.0439759100000000, 0.0654275200000000 ] - [ 0.0590092300000000, -0.0440454600000000, -0.0650359300000000 ] - [ 0.0589885800000000, -0.0438942300000000, -0.0654345200000000 ] - [ 0.0588266000000000, 0.0455096500000000, 0.0663720600000000 ] - [ 0.0591988300000000, 0.0449719800000000, 0.0663322700000000 ] - [ -0.0588358700000000, -0.0439424200000000, 0.0654270700000000 ] - [ -0.0588095500000000, -0.0438843000000000, 0.0654945700000000 ] - [ -0.0587562400000000, 0.0439371700000000, -0.0654963300000000 ] - [ -0.0589894500000000, 0.0437915100000000, -0.0655334100000000 ] - [ 0.0582723300000000, -0.0163667900000000, 0.0016956100000000 ] - [ 0.0591961400000000, -0.0163322400000000, 0.0012022800000000 ] - [ 0.0598090600000000, 0.0162291300000000, -0.0015208100000000 ] - [ 0.0596647800000000, 0.0162066800000000, -0.0013854900000000 ] - [ -0.0597016900000000, -0.0161825900000000, -0.0009648600000000 ] - [ -0.0596630000000000, -0.0162538800000000, -0.0014475100000000 ] - [ -0.0597997600000000, 0.0164818100000000, 0.0015880200000000 ] - [ -0.0596161700000000, 0.0164145800000000, 0.0015336100000000 ] - [ -0.0606948000000000, 0.0160742400000000, -0.0018198800000000 ] - [ -0.0593059000000000, 0.0165493900000000, -0.0015370600000000 ] - [ -0.0568160400000000, -0.0129207900000000, 0.0041616800000000 ] - [ -0.0600553400000000, -0.0165630900000000, 0.0010932700000000 ] - [ 0.0596779200000000, 0.0163883000000000, 0.0014942300000000 ] - [ 0.0596486400000000, 0.0163240100000000, 0.0014555900000000 ] - [ 0.0594526900000000, -0.0157472000000000, -0.0008743600000000 ] - [ 0.0596507200000000, -0.0162860300000000, -0.0014639700000000 ] - [ 0.0136301000000000, 0.0261791100000000, -0.0027603200000000 ] - [ 0.0143413500000000, 0.0235858400000000, -0.0000390600000000 ] - [ 0.0141769200000000, -0.0236215400000000, -0.0001275100000000 ] - [ 0.0142458800000000, -0.0235477400000000, 0.0000017700000000 ] - [ -0.0137257300000000, 0.0242591100000000, -0.0007257200000000 ] - [ -0.0142599300000000, 0.0234582800000000, -0.0001668000000000 ] - [ -0.0139559500000000, -0.0235342100000000, -0.0000747400000000 ] - [ -0.0142843100000000, -0.0237071500000000, 0.0001092000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018823700000000, -0.0010993700000000, -0.0008543200000000 ] - [ -0.0005589500000000, 0.0002902800000000, 0.0001121300000000 ] - [ 0.0008064600000000, 0.0000775400000000, -0.0000377300000000 ] - [ 0.0008006200000000, 0.0000185500000000, -0.0000149500000000 ] - [ 0.0008690500000000, -0.0002836300000000, -0.0000137100000000 ] - [ 0.0008104800000000, 0.0000753500000000, -0.0000104000000000 ] - [ -0.0008384200000000, -0.0000963900000000, -0.0000836400000000 ] - [ -0.0008067900000000, -0.0000105900000000, -0.0000471400000000 ] - [ -0.0089917700000000, 0.0075140200000000, 0.0003187700000000 ] - [ -0.0086934600000000, 0.0070967700000000, 0.0001326000000000 ] - [ -0.0088616900000000, -0.0071391800000000, -0.0000005200000000 ] - [ -0.0089595700000000, -0.0072958700000000, -0.0000120100000000 ] - [ 0.0088541100000000, 0.0069998800000000, -0.0002982400000000 ] - [ 0.0088642600000000, 0.0070308500000000, 0.0000872400000000 ] - [ 0.0088446300000000, -0.0069631900000000, -0.0000907700000000 ] - [ 0.0088651100000000, -0.0070686100000000, -0.0000500900000000 ] - [ 0.0303199200000000, 0.2355277600000000, 0.0975490600000000 ] - [ 0.0210885900000000, 0.1882612900000000, 0.0871329500000000 ] - [ 0.0192802700000000, -0.1862477500000000, -0.0860189100000000 ] - [ 0.0192111200000000, -0.1869357100000000, -0.0861598300000000 ] - [ -0.0192314800000000, 0.1872313100000000, -0.0856096600000000 ] - [ -0.0195013800000000, 0.1867381600000000, -0.0862150600000000 ] - [ -0.0193403000000000, -0.1866909700000000, 0.0863090000000000 ] - [ -0.0193456500000000, -0.1867519000000000, 0.0862945900000000 ] - [ -0.0191333400000000, -0.1868262700000000, -0.0863689700000000 ] - [ -0.0187544100000000, -0.1869477200000000, -0.0859365500000000 ] - [ -0.0195123900000000, 0.1863415000000000, 0.0861494000000000 ] - [ -0.0194122400000000, 0.1868633200000000, 0.0864609100000000 ] - [ 0.0192967400000000, -0.1868546000000000, 0.0861913600000000 ] - [ 0.0193499600000000, -0.1868101900000000, 0.0862069700000000 ] - [ 0.0191209100000000, 0.1874076800000000, -0.0857425000000000 ] - [ 0.0193484800000000, 0.1867682400000000, -0.0861982600000000 ] - [ -0.0533732000000000, -0.1136457600000000, -0.1491909800000000 ] - [ -0.0358823800000000, -0.0869799200000000, -0.1333594700000000 ] - [ -0.0374796800000000, 0.0861540100000000, 0.1324100100000000 ] - [ -0.0378344900000000, 0.0861167500000000, 0.1322114300000000 ] - [ 0.0379566900000000, -0.0869595000000000, 0.1329847600000000 ] - [ 0.0375125100000000, -0.0862728700000000, 0.1323868600000000 ] - [ 0.0375922500000000, 0.0862531800000000, -0.1322728900000000 ] - [ 0.0375649900000000, 0.0862284700000000, -0.1323291900000000 ] - [ 0.0370404500000000, 0.0865259400000000, 0.1321759800000000 ] - [ 0.0374330600000000, 0.0862271500000000, 0.1319637400000000 ] - [ 0.0373039400000000, -0.0860290300000000, -0.1318030900000000 ] - [ 0.0378419700000000, -0.0862523300000000, -0.1319083900000000 ] - [ -0.0376308200000000, 0.0863009400000000, -0.1323429600000000 ] - [ -0.0377154800000000, 0.0862493200000000, -0.1323386600000000 ] - [ -0.0375490800000000, -0.0861612000000000, 0.1322421900000000 ] - [ -0.0376740700000000, -0.0861902700000000, 0.1323049500000000 ] - [ 0.0172330300000000, 0.0220028500000000, -0.0430777700000000 ] - [ 0.0239229900000000, 0.0135373100000000, -0.0464237500000000 ] - [ 0.0196863600000000, -0.0200360200000000, 0.0444769200000000 ] - [ 0.0197344300000000, -0.0202384000000000, 0.0445494900000000 ] - [ -0.0190400700000000, 0.0202600700000000, 0.0445913900000000 ] - [ -0.0195632000000000, 0.0201268300000000, 0.0446995500000000 ] - [ -0.0196400400000000, -0.0207838000000000, -0.0451089800000000 ] - [ -0.0195017500000000, -0.0201356400000000, -0.0447198700000000 ] - [ -0.0191066700000000, -0.0258551000000000, 0.0462011500000000 ] - [ -0.0195008500000000, -0.0198382100000000, 0.0446484900000000 ] - [ -0.0194256400000000, 0.0200487600000000, -0.0446505000000000 ] - [ -0.0195896600000000, 0.0201079700000000, -0.0446744700000000 ] - [ 0.0195840400000000, -0.0204101800000000, -0.0449731500000000 ] - [ 0.0196060900000000, -0.0201993700000000, -0.0447580000000000 ] - [ 0.0195108800000000, 0.0200381800000000, 0.0445349600000000 ] - [ 0.0194843200000000, 0.0199993600000000, 0.0446166100000000 ] - [ 0.0318601000000000, -0.1867309800000000, 0.0144390200000000 ] - [ 0.0318966100000000, -0.1866422900000000, 0.0142258600000000 ] - [ 0.0325589800000000, 0.1867250700000000, -0.0142958700000000 ] - [ 0.0325171700000000, 0.1867428800000000, -0.0142944000000000 ] - [ -0.0326557600000000, -0.1867243700000000, -0.0143255100000000 ] - [ -0.0325170700000000, -0.1867116400000000, -0.0143024100000000 ] - [ -0.0320858000000000, 0.1871717000000000, 0.0146607000000000 ] - [ -0.0324531800000000, 0.1867239200000000, 0.0143828400000000 ] - [ -0.0336324900000000, 0.1841193400000000, -0.0095246100000000 ] - [ -0.0322784400000000, 0.1868023000000000, -0.0143730100000000 ] - [ -0.0323884800000000, -0.1853891200000000, 0.0147836200000000 ] - [ -0.0325587700000000, -0.1863207400000000, 0.0145036600000000 ] - [ 0.0324168500000000, 0.1868449400000000, 0.0144692600000000 ] - [ 0.0325004700000000, 0.1867243000000000, 0.0143934500000000 ] - [ 0.0324586000000000, -0.1867024600000000, -0.0143064100000000 ] - [ 0.0324865400000000, -0.1866368200000000, -0.0143427600000000 ] - [ -0.0591105200000000, 0.0437927300000000, 0.0653324500000000 ] - [ -0.0603979200000000, 0.0427645200000000, 0.0652263900000000 ] - [ -0.0587170100000000, -0.0440137400000000, -0.0655194400000000 ] - [ -0.0585268000000000, -0.0437162400000000, -0.0658161900000000 ] - [ 0.0588315900000000, 0.0439424200000000, -0.0655189600000000 ] - [ 0.0588390700000000, 0.0438846300000000, -0.0654993500000000 ] - [ 0.0586203900000000, -0.0437256500000000, 0.0655564500000000 ] - [ 0.0587391200000000, -0.0438314400000000, 0.0655607700000000 ] - [ 0.0585876900000000, -0.0437537400000000, -0.0659558300000000 ] - [ 0.0586141800000000, -0.0439118500000000, -0.0655531600000000 ] - [ 0.0587864700000000, 0.0422805100000000, 0.0646103800000000 ] - [ 0.0583899700000000, 0.0428499000000000, 0.0646711000000000 ] - [ -0.0587656000000000, -0.0438642300000000, 0.0655618900000000 ] - [ -0.0587919900000000, -0.0439223200000000, 0.0654941400000000 ] - [ -0.0588454300000000, 0.0438693400000000, -0.0654930000000000 ] - [ -0.0586148900000000, 0.0440138100000000, -0.0654561500000000 ] - [ 0.0609731300000000, -0.0162501600000000, 0.0011481700000000 ] - [ 0.0600735200000000, -0.0163074600000000, 0.0016746700000000 ] - [ 0.0594669000000000, 0.0164059500000000, -0.0013614200000000 ] - [ 0.0596073300000000, 0.0164289600000000, -0.0014952500000000 ] - [ -0.0595717000000000, -0.0164620000000000, -0.0019189400000000 ] - [ -0.0596101100000000, -0.0163831000000000, -0.0014335700000000 ] - [ -0.0594721900000000, 0.0161558700000000, 0.0012916500000000 ] - [ -0.0596578700000000, 0.0162224900000000, 0.0013461400000000 ] - [ -0.0585767900000000, 0.0165636500000000, -0.0010592600000000 ] - [ -0.0599643900000000, 0.0160916500000000, -0.0013435000000000 ] - [ -0.0624563200000000, -0.0197465400000000, -0.0012958000000000 ] - [ -0.0592157600000000, -0.0160806600000000, 0.0017863000000000 ] - [ 0.0595935200000000, 0.0162479700000000, 0.0013847300000000 ] - [ 0.0596241300000000, 0.0163127700000000, 0.0014248200000000 ] - [ 0.0598183300000000, -0.0168853500000000, -0.0019991600000000 ] - [ 0.0596222200000000, -0.0163520700000000, -0.0014173100000000 ] - [ 0.0148889500000000, 0.0210203500000000, 0.0026996500000000 ] - [ 0.0141940900000000, 0.0235746500000000, 0.0000388400000000 ] - [ 0.0143587700000000, -0.0235374400000000, 0.0001291500000000 ] - [ 0.0142902800000000, -0.0236113500000000, -0.0000015800000000 ] - [ -0.0148119800000000, 0.0229049900000000, 0.0007305800000000 ] - [ -0.0142771200000000, 0.0237027000000000, 0.0001622900000000 ] - [ -0.0145807400000000, -0.0236260600000000, 0.0000748100000000 ] - [ -0.0142520500000000, -0.0234545600000000, -0.0001090300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0024197700000000, 0.0010151200000000, 0.0001575200000000 ] - [ -0.0009643600000000, -0.0000902300000000, 0.0000053200000000 ] - [ 0.0008258500000000, 0.0000559300000000, -0.0001035200000000 ] - [ 0.0007894000000000, 0.0000004000000000, -0.0000435200000000 ] - [ 0.0010277100000000, -0.0000104200000000, 0.0005187900000000 ] - [ 0.0007942300000000, -0.0000482500000000, 0.0001412300000000 ] - [ -0.0008272500000000, -0.0000910300000000, -0.0001231300000000 ] - [ -0.0007751300000000, -0.0000068000000000, -0.0000541000000000 ] - [ -0.0092441500000000, 0.0069524900000000, -0.0000116000000000 ] - [ -0.0086702000000000, 0.0070821300000000, 0.0000547000000000 ] - [ -0.0088039300000000, -0.0071572100000000, -0.0000637900000000 ] - [ -0.0090115500000000, -0.0073710300000000, -0.0000583300000000 ] - [ 0.0089520200000000, 0.0070406000000000, -0.0002011200000000 ] - [ 0.0088204900000000, 0.0071237600000000, 0.0000421200000000 ] - [ 0.0088511200000000, -0.0069003500000000, -0.0001651500000000 ] - [ 0.0088689600000000, -0.0070447700000000, -0.0000469800000000 ] - [ 0.0110337900000000, 0.1758908100000000, 0.0573782600000000 ] - [ 0.0184445600000000, 0.1858672600000000, 0.0856392700000000 ] - [ 0.0192357200000000, -0.1869961600000000, -0.0864955800000000 ] - [ 0.0192537100000000, -0.1868507800000000, -0.0864394000000000 ] - [ -0.0192488100000000, 0.1873962500000000, -0.0856217600000000 ] - [ -0.0195646000000000, 0.1867927700000000, -0.0862630500000000 ] - [ -0.0194060800000000, -0.1866995400000000, 0.0864166600000000 ] - [ -0.0194273600000000, -0.1867157100000000, 0.0863958900000000 ] - [ -0.0190332700000000, -0.1866400600000000, -0.0861552300000000 ] - [ -0.0186138700000000, -0.1870636600000000, -0.0863588900000000 ] - [ -0.0190554600000000, 0.1868556200000000, 0.0862010100000000 ] - [ -0.0194041800000000, 0.1865459600000000, 0.0863897600000000 ] - [ 0.0192520100000000, -0.1868180700000000, 0.0862531000000000 ] - [ 0.0193841300000000, -0.1868025700000000, 0.0862706100000000 ] - [ 0.0192736600000000, 0.1872664600000000, -0.0853067500000000 ] - [ 0.0194059500000000, 0.1868088700000000, -0.0862508000000000 ] - [ -0.0268413400000000, -0.0698705500000000, -0.1186629000000000 ] - [ -0.0385490500000000, -0.0858586200000000, -0.1326982700000000 ] - [ -0.0374193000000000, 0.0862794200000000, 0.1326948900000000 ] - [ -0.0380347300000000, 0.0862073400000000, 0.1321964800000000 ] - [ 0.0379844000000000, -0.0871644500000000, 0.1330210900000000 ] - [ 0.0376411100000000, -0.0862233000000000, 0.1323590400000000 ] - [ 0.0375988400000000, 0.0862985900000000, -0.1322595000000000 ] - [ 0.0375999800000000, 0.0862184400000000, -0.1323491100000000 ] - [ 0.0366328700000000, 0.0862283100000000, 0.1326120100000000 ] - [ 0.0377253600000000, 0.0861343200000000, 0.1320322200000000 ] - [ 0.0376540300000000, -0.0861359800000000, -0.1321511300000000 ] - [ 0.0381602900000000, -0.0859714400000000, -0.1323640200000000 ] - [ -0.0376198000000000, 0.0863351300000000, -0.1323637600000000 ] - [ -0.0377610100000000, 0.0862482800000000, -0.1322998900000000 ] - [ -0.0375566900000000, -0.0860805700000000, 0.1323080300000000 ] - [ -0.0376294700000000, -0.0862276600000000, 0.1324010200000000 ] - [ 0.0206248100000000, 0.0188975000000000, -0.0459136900000000 ] - [ 0.0182948600000000, 0.0224878000000000, -0.0407603400000000 ] - [ 0.0197729900000000, -0.0202086800000000, 0.0449816000000000 ] - [ 0.0196618500000000, -0.0200534200000000, 0.0445509500000000 ] - [ -0.0189200900000000, 0.0201907500000000, 0.0444716100000000 ] - [ -0.0195703200000000, 0.0200865900000000, 0.0447264300000000 ] - [ -0.0197227800000000, -0.0211593900000000, -0.0455468100000000 ] - [ -0.0194934400000000, -0.0201791300000000, -0.0447316400000000 ] - [ -0.0194072200000000, -0.0225188000000000, 0.0471821300000000 ] - [ -0.0196179500000000, -0.0200103500000000, 0.0451711600000000 ] - [ -0.0192253900000000, 0.0198351100000000, -0.0448623700000000 ] - [ -0.0197629000000000, 0.0198060400000000, -0.0443607600000000 ] - [ 0.0197351400000000, -0.0207496800000000, -0.0451516600000000 ] - [ 0.0196792000000000, -0.0202393800000000, -0.0448124200000000 ] - [ 0.0194521800000000, 0.0199034100000000, 0.0444187400000000 ] - [ 0.0193417100000000, 0.0200591600000000, 0.0444583400000000 ] - [ 0.0322376900000000, -0.1865863300000000, 0.0141858000000000 ] - [ 0.0316036900000000, -0.1867470600000000, 0.0147332900000000 ] - [ 0.0326375300000000, 0.1868374300000000, -0.0144455500000000 ] - [ 0.0323601900000000, 0.1866221900000000, -0.0144951600000000 ] - [ -0.0327355100000000, -0.1866917500000000, -0.0142476000000000 ] - [ -0.0324617000000000, -0.1866752300000000, -0.0143062500000000 ] - [ -0.0320298700000000, 0.1872716200000000, 0.0151894600000000 ] - [ -0.0324424500000000, 0.1867251200000000, 0.0144025700000000 ] - [ -0.0345770400000000, 0.1824024800000000, -0.0094122400000000 ] - [ -0.0322335100000000, 0.1869755200000000, -0.0144659400000000 ] - [ -0.0326054400000000, -0.1876258300000000, 0.0142754600000000 ] - [ -0.0326745400000000, -0.1869672800000000, 0.0140723200000000 ] - [ 0.0322856900000000, 0.1870861500000000, 0.0146067500000000 ] - [ 0.0324798200000000, 0.1867593600000000, 0.0144601400000000 ] - [ 0.0325666200000000, -0.1866618800000000, -0.0142600300000000 ] - [ 0.0325784700000000, -0.1866471200000000, -0.0142334800000000 ] - [ -0.0585518800000000, 0.0437352200000000, 0.0652368900000000 ] - [ -0.0601167500000000, 0.0444357600000000, 0.0651595800000000 ] - [ -0.0586823300000000, -0.0440774700000000, -0.0656549600000000 ] - [ -0.0585238800000000, -0.0436438100000000, -0.0658494800000000 ] - [ 0.0588944200000000, 0.0440134900000000, -0.0654897900000000 ] - [ 0.0588114900000000, 0.0438990200000000, -0.0654894100000000 ] - [ 0.0585498000000000, -0.0436191400000000, 0.0656568600000000 ] - [ 0.0587190100000000, -0.0437525600000000, 0.0656202700000000 ] - [ 0.0586712700000000, -0.0442230000000000, -0.0657343700000000 ] - [ 0.0584585400000000, -0.0440695600000000, -0.0656557100000000 ] - [ 0.0588096300000000, 0.0447341600000000, 0.0656295400000000 ] - [ 0.0593238000000000, 0.0446312100000000, 0.0656009400000000 ] - [ -0.0588019100000000, -0.0438573100000000, 0.0655223800000000 ] - [ -0.0588571300000000, -0.0439022500000000, 0.0654904900000000 ] - [ -0.0589449200000000, 0.0439018200000000, -0.0654109200000000 ] - [ -0.0586877500000000, 0.0440030700000000, -0.0654462900000000 ] - [ 0.0606233700000000, -0.0151615200000000, 0.0038201500000000 ] - [ 0.0596484000000000, -0.0162907600000000, 0.0014431000000000 ] - [ 0.0593900300000000, 0.0163983400000000, -0.0016874500000000 ] - [ 0.0596645200000000, 0.0164058200000000, -0.0013554500000000 ] - [ -0.0597129900000000, -0.0166047600000000, -0.0018831400000000 ] - [ -0.0596255000000000, -0.0163197000000000, -0.0013792600000000 ] - [ -0.0593689700000000, 0.0160629200000000, 0.0011739100000000 ] - [ -0.0595497200000000, 0.0161353400000000, 0.0012833800000000 ] - [ -0.0578112800000000, 0.0167413800000000, -0.0008559000000000 ] - [ -0.0603070800000000, 0.0160739300000000, -0.0014377800000000 ] - [ -0.0583286400000000, -0.0142041300000000, 0.0024625300000000 ] - [ -0.0597961500000000, -0.0162986400000000, 0.0015616000000000 ] - [ 0.0597125700000000, 0.0162432600000000, 0.0014742300000000 ] - [ 0.0596000300000000, 0.0162867000000000, 0.0014305600000000 ] - [ 0.0596978000000000, -0.0164980100000000, -0.0021049000000000 ] - [ 0.0595443200000000, -0.0163523500000000, -0.0014819000000000 ] - [ 0.0152036200000000, 0.0199164700000000, 0.0023111500000000 ] - [ 0.0142022100000000, 0.0236166000000000, 0.0000781400000000 ] - [ 0.0143401700000000, -0.0236476500000000, 0.0000324700000000 ] - [ 0.0142908300000000, -0.0235458100000000, -0.0000714900000000 ] - [ -0.0143757600000000, 0.0243503800000000, -0.0003807100000000 ] - [ -0.0143012800000000, 0.0235711600000000, -0.0001013500000000 ] - [ -0.0147423800000000, -0.0236943800000000, 0.0000694600000000 ] - [ -0.0142306500000000, -0.0234232300000000, -0.0000459600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008169600000000, -0.0010190500000000, -0.0001698400000000 ] - [ -0.0006463700000000, 0.0000816700000000, -0.0000084000000000 ] - [ 0.0007789700000000, -0.0000554700000000, 0.0001047400000000 ] - [ 0.0008164000000000, -0.0000009800000000, 0.0000438800000000 ] - [ 0.0005795900000000, 0.0000108500000000, -0.0005145600000000 ] - [ 0.0008124500000000, 0.0000460100000000, -0.0001408300000000 ] - [ -0.0007776000000000, 0.0000906200000000, 0.0001237900000000 ] - [ -0.0008298000000000, 0.0000073700000000, 0.0000550600000000 ] - [ -0.0084640600000000, 0.0072248600000000, 0.0000093100000000 ] - [ -0.0090428300000000, 0.0070972800000000, -0.0000554700000000 ] - [ -0.0089062100000000, -0.0070226200000000, 0.0000640800000000 ] - [ -0.0087019500000000, -0.0068121700000000, 0.0000590900000000 ] - [ 0.0087585200000000, 0.0071401900000000, 0.0002051400000000 ] - [ 0.0088920200000000, 0.0070569500000000, -0.0000439600000000 ] - [ 0.0088600500000000, -0.0072767100000000, 0.0001648600000000 ] - [ 0.0088437500000000, -0.0071336500000000, 0.0000476100000000 ] - [ 0.0280054200000000, 0.1980847700000000, 0.1149766800000000 ] - [ 0.0202856300000000, 0.1876874400000000, 0.0867958000000000 ] - [ 0.0195013400000000, -0.1865792900000000, -0.0859544200000000 ] - [ 0.0194866000000000, -0.1867191800000000, -0.0860088900000000 ] - [ -0.0194894000000000, 0.1861673500000000, -0.0868298800000000 ] - [ -0.0191735300000000, 0.1867795000000000, -0.0861851600000000 ] - [ -0.0193337900000000, -0.1868681300000000, 0.0860314400000000 ] - [ -0.0193111500000000, -0.1868552100000000, 0.0860508700000000 ] - [ -0.0197024200000000, -0.1869252900000000, -0.0862911900000000 ] - [ -0.0201137000000000, -0.1864987500000000, -0.0861012600000000 ] - [ -0.0196872700000000, 0.1867105900000000, 0.0862462200000000 ] - [ -0.0193308400000000, 0.1870226400000000, 0.0860641600000000 ] - [ 0.0194864500000000, -0.1867520700000000, 0.0861938300000000 ] - [ 0.0193544200000000, -0.1867665200000000, 0.0861784900000000 ] - [ 0.0194625700000000, 0.1863065800000000, -0.0871395300000000 ] - [ 0.0193348300000000, 0.1867617300000000, -0.0861965500000000 ] - [ -0.0486809900000000, -0.1028455300000000, -0.1461038300000000 ] - [ -0.0367239000000000, -0.0865844300000000, -0.1319668900000000 ] - [ -0.0378227800000000, 0.0861863200000000, 0.1319966800000000 ] - [ -0.0372158000000000, 0.0862554700000000, 0.1324925800000000 ] - [ 0.0372650300000000, -0.0852945700000000, 0.1316715400000000 ] - [ 0.0376124000000000, -0.0862411900000000, 0.1323305000000000 ] - [ 0.0376528400000000, 0.0861653500000000, -0.1324295200000000 ] - [ 0.0376512900000000, 0.0862459400000000, -0.1323391900000000 ] - [ 0.0385959400000000, 0.0862345000000000, 0.1320938800000000 ] - [ 0.0375231400000000, 0.0863269800000000, 0.1326592900000000 ] - [ 0.0375943800000000, -0.0863266700000000, -0.1325497200000000 ] - [ 0.0370905000000000, -0.0864893100000000, -0.1323255500000000 ] - [ -0.0376314400000000, 0.0861289000000000, -0.1323259800000000 ] - [ -0.0374907400000000, 0.0862166800000000, -0.1323895600000000 ] - [ -0.0376948500000000, -0.0863841300000000, 0.1323821800000000 ] - [ -0.0376223300000000, -0.0862381400000000, 0.1322897800000000 ] - [ 0.0183519100000000, 0.0213290400000000, -0.0434986900000000 ] - [ 0.0207373200000000, 0.0177185300000000, -0.0486033300000000 ] - [ 0.0191894000000000, -0.0200346400000000, 0.0444310600000000 ] - [ 0.0192997800000000, -0.0201853600000000, 0.0448491400000000 ] - [ -0.0200458900000000, 0.0200508800000000, 0.0449415500000000 ] - [ -0.0193921300000000, 0.0201565500000000, 0.0446846800000000 ] - [ -0.0192401300000000, -0.0190839800000000, -0.0438668400000000 ] - [ -0.0194679700000000, -0.0200641500000000, -0.0446815000000000 ] - [ -0.0195306900000000, -0.0178554200000000, 0.0424299100000000 ] - [ -0.0193425200000000, -0.0202343600000000, 0.0442426900000000 ] - [ -0.0197417100000000, 0.0204082600000000, -0.0445458900000000 ] - [ -0.0192017600000000, 0.0204388700000000, -0.0450465600000000 ] - [ 0.0192279600000000, -0.0194911800000000, -0.0442598500000000 ] - [ 0.0192847600000000, -0.0200034100000000, -0.0445999800000000 ] - [ 0.0195093900000000, 0.0203381400000000, 0.0449945500000000 ] - [ 0.0196201300000000, 0.0201838700000000, 0.0449526900000000 ] - [ 0.0327518500000000, -0.1868649900000000, 0.0145365300000000 ] - [ 0.0334011800000000, -0.1867078400000000, 0.0139783700000000 ] - [ 0.0323560900000000, 0.1866114900000000, -0.0142791800000000 ] - [ 0.0326241900000000, 0.1868196700000000, -0.0142294700000000 ] - [ -0.0322539100000000, -0.1867594300000000, -0.0144770200000000 ] - [ -0.0325263100000000, -0.1867743900000000, -0.0144196200000000 ] - [ -0.0329559400000000, 0.1861797700000000, 0.0135219000000000 ] - [ -0.0325470100000000, 0.1867248100000000, 0.0143225500000000 ] - [ -0.0304408200000000, 0.1909476700000000, -0.0192270500000000 ] - [ -0.0327552400000000, 0.1864762500000000, -0.0142593000000000 ] - [ -0.0323890200000000, -0.1858299000000000, 0.0144444200000000 ] - [ -0.0323183200000000, -0.1864888800000000, 0.0146479900000000 ] - [ 0.0327026400000000, 0.1863626600000000, 0.0141152000000000 ] - [ 0.0325099000000000, 0.1866911500000000, 0.0142662900000000 ] - [ 0.0324253000000000, -0.1867885300000000, -0.0144644700000000 ] - [ 0.0324095400000000, -0.1868031600000000, -0.0144875500000000 ] - [ -0.0590647900000000, 0.0440720600000000, 0.0657638000000000 ] - [ -0.0574964900000000, 0.0433690000000000, 0.0658408600000000 ] - [ -0.0589343000000000, -0.0437298000000000, -0.0653451800000000 ] - [ -0.0590877800000000, -0.0441570400000000, -0.0651568200000000 ] - [ 0.0587224500000000, 0.0437916800000000, -0.0655082200000000 ] - [ 0.0588065400000000, 0.0439064800000000, -0.0655082000000000 ] - [ 0.0590656400000000, -0.0441863300000000, 0.0653408900000000 ] - [ 0.0588984200000000, -0.0440523100000000, 0.0653780500000000 ] - [ 0.0589348600000000, -0.0435719000000000, -0.0652546700000000 ] - [ 0.0591527800000000, -0.0437366400000000, -0.0653444900000000 ] - [ 0.0588156500000000, 0.0430759400000000, 0.0653697000000000 ] - [ 0.0582941200000000, 0.0431893900000000, 0.0654127600000000 ] - [ -0.0588161400000000, -0.0439484300000000, 0.0654746300000000 ] - [ -0.0587619900000000, -0.0439029300000000, 0.0655060000000000 ] - [ -0.0586712200000000, 0.0439061300000000, -0.0655902100000000 ] - [ -0.0589309600000000, 0.0438015700000000, -0.0655524300000000 ] - [ 0.0585717100000000, -0.0174055000000000, -0.0010854800000000 ] - [ 0.0596025100000000, -0.0163353500000000, 0.0014317800000000 ] - [ 0.0598565200000000, 0.0162276700000000, -0.0011909900000000 ] - [ 0.0595892000000000, 0.0162169600000000, -0.0015208300000000 ] - [ -0.0595436600000000, -0.0160170100000000, -0.0009957900000000 ] - [ -0.0596285100000000, -0.0163031200000000, -0.0014981100000000 ] - [ -0.0598824400000000, 0.0165563300000000, 0.0017004600000000 ] - [ -0.0597031400000000, 0.0164875000000000, 0.0015952500000000 ] - [ -0.0614162000000000, 0.0158877500000000, -0.0020086400000000 ] - [ -0.0589516500000000, 0.0165435100000000, -0.0014356700000000 ] - [ -0.0609201300000000, -0.0184278500000000, 0.0004215500000000 ] - [ -0.0594636700000000, -0.0163298600000000, 0.0013136600000000 ] - [ 0.0595414400000000, 0.0163793600000000, 0.0014050300000000 ] - [ 0.0596528800000000, 0.0163344800000000, 0.0014464800000000 ] - [ 0.0595589600000000, -0.0161321400000000, -0.0007567900000000 ] - [ 0.0597077700000000, -0.0162717400000000, -0.0013964200000000 ] - [ 0.0133087700000000, 0.0273136700000000, -0.0023586800000000 ] - [ 0.0143419100000000, 0.0235317200000000, -0.0000780800000000 ] - [ 0.0142043300000000, -0.0235013000000000, -0.0000299000000000 ] - [ 0.0142539800000000, -0.0235999100000000, 0.0000729400000000 ] - [ -0.0141579700000000, 0.0228052500000000, 0.0003936200000000 ] - [ -0.0142441100000000, 0.0235743800000000, 0.0000966500000000 ] - [ -0.0138108100000000, -0.0234576300000000, -0.0000672300000000 ] - [ -0.0143142000000000, -0.0237195300000000, 0.0000442100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013288700000000, 0.0000567700000000, -0.0000265300000000 ] - [ -0.0010416100000000, 0.0005884200000000, 0.0000730400000000 ] - [ 0.0008112700000000, 0.0000363200000000, 0.0000191500000000 ] - [ 0.0007898500000000, 0.0000248200000000, 0.0000433500000000 ] - [ 0.0002037700000000, -0.0005654800000000, 0.0001582300000000 ] - [ 0.0007747900000000, -0.0000381400000000, -0.0003153700000000 ] - [ -0.0008176300000000, -0.0000330400000000, -0.0000288100000000 ] - [ -0.0008540700000000, -0.0000297200000000, -0.0000450100000000 ] - [ -0.0087426900000000, 0.0075460100000000, 0.0003660500000000 ] - [ -0.0087880500000000, 0.0072767400000000, 0.0001208300000000 ] - [ -0.0088446500000000, -0.0070615800000000, 0.0000244800000000 ] - [ -0.0088757500000000, -0.0071062100000000, 0.0000724900000000 ] - [ 0.0092011600000000, 0.0071388700000000, -0.0010332400000000 ] - [ 0.0089554900000000, 0.0068954100000000, 0.0000601900000000 ] - [ 0.0088458500000000, -0.0070972700000000, 0.0000161400000000 ] - [ 0.0088763700000000, -0.0071180000000000, -0.0000036200000000 ] - [ 0.0350918000000000, 0.2024687200000000, 0.0973270800000000 ] - [ 0.0285788200000000, 0.1850706700000000, 0.0853042200000000 ] - [ 0.0194084700000000, -0.1866535400000000, -0.0864281200000000 ] - [ 0.0193212500000000, -0.1870066400000000, -0.0858158000000000 ] - [ -0.0192210400000000, 0.1871323500000000, -0.0858598400000000 ] - [ -0.0193642600000000, 0.1866846400000000, -0.0862077500000000 ] - [ -0.0193418900000000, -0.1867656300000000, 0.0862504300000000 ] - [ -0.0193902000000000, -0.1867383300000000, 0.0862498400000000 ] - [ -0.0194097600000000, -0.1862153400000000, -0.0872034900000000 ] - [ -0.0191447700000000, -0.1866062500000000, -0.0861216600000000 ] - [ -0.0193802100000000, 0.1864755300000000, 0.0861915500000000 ] - [ -0.0191282900000000, 0.1870219100000000, 0.0856847100000000 ] - [ 0.0193934900000000, -0.1868042700000000, 0.0862297100000000 ] - [ 0.0193204600000000, -0.1868880700000000, 0.0860898200000000 ] - [ 0.0193089500000000, 0.1867229300000000, -0.0862897200000000 ] - [ 0.0191198200000000, 0.1868486800000000, -0.0862170700000000 ] - [ -0.0876387100000000, -0.0908696400000000, -0.1393909000000000 ] - [ -0.0379866200000000, -0.0890557700000000, -0.1343034300000000 ] - [ -0.0379033600000000, 0.0861912400000000, 0.1325161400000000 ] - [ -0.0376974700000000, 0.0860477200000000, 0.1323668300000000 ] - [ 0.0377510300000000, -0.0862964800000000, 0.1324309100000000 ] - [ 0.0377224100000000, -0.0863260600000000, 0.1324733700000000 ] - [ 0.0376324800000000, 0.0862217600000000, -0.1323638100000000 ] - [ 0.0375915900000000, 0.0862017400000000, -0.1323322500000000 ] - [ 0.0375996100000000, 0.0861996900000000, 0.1323352600000000 ] - [ 0.0378283400000000, 0.0862556000000000, 0.1318365400000000 ] - [ 0.0371058700000000, -0.0863407200000000, -0.1322301200000000 ] - [ 0.0370350100000000, -0.0863677600000000, -0.1321062100000000 ] - [ -0.0376331000000000, 0.0861947000000000, -0.1323256700000000 ] - [ -0.0375879500000000, 0.0862472200000000, -0.1323340600000000 ] - [ -0.0377461100000000, -0.0860792600000000, 0.1320054200000000 ] - [ -0.0376018900000000, -0.0862895400000000, 0.1321625300000000 ] - [ 0.0350690400000000, 0.0167961900000000, -0.0502748700000000 ] - [ 0.0212889300000000, 0.0217335100000000, -0.0430278400000000 ] - [ 0.0193959400000000, -0.0198057300000000, 0.0441312400000000 ] - [ 0.0195979100000000, -0.0200274400000000, 0.0445717300000000 ] - [ -0.0194664200000000, 0.0201413100000000, 0.0447856400000000 ] - [ -0.0194958800000000, 0.0202805000000000, 0.0447803600000000 ] - [ -0.0194485200000000, -0.0200002900000000, -0.0446326300000000 ] - [ -0.0195090900000000, -0.0200536500000000, -0.0447296300000000 ] - [ -0.0193707900000000, -0.0202853100000000, 0.0465719200000000 ] - [ -0.0192503200000000, -0.0214759900000000, 0.0463744200000000 ] - [ -0.0192782600000000, 0.0201042400000000, -0.0447798100000000 ] - [ -0.0188033700000000, 0.0207936500000000, -0.0459238700000000 ] - [ 0.0195057600000000, -0.0201214400000000, -0.0448179800000000 ] - [ 0.0194670900000000, -0.0201342200000000, -0.0446825400000000 ] - [ 0.0197944600000000, 0.0200666100000000, 0.0448186200000000 ] - [ 0.0196067400000000, 0.0200914600000000, 0.0446968800000000 ] - [ 0.0331874900000000, -0.1893277800000000, 0.0150563800000000 ] - [ 0.0319907500000000, -0.1867895900000000, 0.0141529100000000 ] - [ 0.0326981800000000, 0.1864128200000000, -0.0140577100000000 ] - [ 0.0326149400000000, 0.1866978100000000, -0.0142888200000000 ] - [ -0.0324967200000000, -0.1867229400000000, -0.0144483500000000 ] - [ -0.0325901800000000, -0.1867080100000000, -0.0144310400000000 ] - [ -0.0324968100000000, 0.1866863700000000, 0.0142942600000000 ] - [ -0.0325059900000000, 0.1867042300000000, 0.0143410400000000 ] - [ -0.0324831900000000, 0.1868964200000000, -0.0149657400000000 ] - [ -0.0323572000000000, 0.1871850600000000, -0.0146984000000000 ] - [ -0.0330913300000000, -0.1865387600000000, 0.0145339400000000 ] - [ -0.0310723100000000, -0.1863817800000000, 0.0155407000000000 ] - [ 0.0324110200000000, 0.1867463100000000, 0.0143738500000000 ] - [ 0.0325163200000000, 0.1867207700000000, 0.0142819100000000 ] - [ 0.0325440900000000, -0.1867387100000000, -0.0142154600000000 ] - [ 0.0326513300000000, -0.1866775200000000, -0.0143168900000000 ] - [ -0.0586019700000000, 0.0445768500000000, 0.0666065600000000 ] - [ -0.0588178800000000, 0.0442997800000000, 0.0652289100000000 ] - [ -0.0586982000000000, -0.0438319500000000, -0.0654435500000000 ] - [ -0.0586855100000000, -0.0440358600000000, -0.0655194500000000 ] - [ 0.0587235300000000, 0.0437852600000000, -0.0655413700000000 ] - [ 0.0585946200000000, 0.0438277400000000, -0.0655282800000000 ] - [ 0.0588358500000000, -0.0439262900000000, 0.0654943500000000 ] - [ 0.0588354300000000, -0.0439196200000000, 0.0654869300000000 ] - [ 0.0588392100000000, -0.0439626700000000, -0.0653652800000000 ] - [ 0.0588767000000000, -0.0439315800000000, -0.0655777400000000 ] - [ 0.0597902400000000, 0.0426496200000000, 0.0657867300000000 ] - [ 0.0592666300000000, 0.0419842300000000, 0.0645694900000000 ] - [ -0.0587924100000000, -0.0438554500000000, 0.0654678900000000 ] - [ -0.0587942900000000, -0.0439227900000000, 0.0654694200000000 ] - [ -0.0587672900000000, 0.0439331400000000, -0.0655927000000000 ] - [ -0.0587673000000000, 0.0439685600000000, -0.0655675000000000 ] - [ 0.0594044300000000, -0.0154679100000000, 0.0007642100000000 ] - [ 0.0599816000000000, -0.0168232600000000, 0.0007176800000000 ] - [ 0.0592948300000000, 0.0163153500000000, -0.0013118400000000 ] - [ 0.0597528700000000, 0.0165562200000000, -0.0015291700000000 ] - [ -0.0598015700000000, -0.0163388400000000, -0.0013386500000000 ] - [ -0.0594359200000000, -0.0159330900000000, -0.0012166500000000 ] - [ -0.0596754500000000, 0.0163817900000000, 0.0014924300000000 ] - [ -0.0596761200000000, 0.0163447200000000, 0.0014611800000000 ] - [ -0.0596304800000000, 0.0163368200000000, -0.0014784800000000 ] - [ -0.0597429000000000, 0.0163492600000000, -0.0014583200000000 ] - [ -0.0576791200000000, -0.0144758000000000, 0.0015325900000000 ] - [ -0.0566531900000000, -0.0181608600000000, -0.0000986200000000 ] - [ 0.0596422800000000, 0.0163052800000000, 0.0014381900000000 ] - [ 0.0596344600000000, 0.0163549900000000, 0.0014558900000000 ] - [ 0.0595518100000000, -0.0164089000000000, -0.0014823300000000 ] - [ 0.0596042400000000, -0.0165390100000000, -0.0012962500000000 ] - [ 0.0143780500000000, 0.0231668200000000, 0.0003537500000000 ] - [ 0.0139492600000000, 0.0236078500000000, 0.0002408500000000 ] - [ 0.0143352800000000, -0.0235875600000000, -0.0000112800000000 ] - [ 0.0142674400000000, -0.0237554300000000, 0.0001533500000000 ] - [ -0.0139581700000000, 0.0227861600000000, 0.0026840400000000 ] - [ -0.0144052200000000, 0.0231367600000000, 0.0005572300000000 ] - [ -0.0141987400000000, -0.0236778000000000, -0.0000465900000000 ] - [ -0.0141996700000000, -0.0235763100000000, 0.0000023300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002738500000000, -0.0000621600000000, 0.0000283100000000 ] - [ -0.0005690300000000, -0.0005950100000000, -0.0000701900000000 ] - [ 0.0007946800000000, -0.0000359400000000, -0.0000221100000000 ] - [ 0.0008153600000000, -0.0000249300000000, -0.0000466100000000 ] - [ 0.0013969800000000, 0.0005834100000000, -0.0001654100000000 ] - [ 0.0008295600000000, 0.0000387000000000, 0.0003163300000000 ] - [ -0.0007877300000000, 0.0000326200000000, 0.0000262200000000 ] - [ -0.0007516200000000, 0.0000306600000000, 0.0000416000000000 ] - [ -0.0089800700000000, 0.0066358200000000, -0.0003654300000000 ] - [ -0.0089331000000000, 0.0069095300000000, -0.0001189500000000 ] - [ -0.0088762900000000, -0.0071230700000000, -0.0000249800000000 ] - [ -0.0088460400000000, -0.0070787000000000, -0.0000734600000000 ] - [ 0.0085434100000000, 0.0070546800000000, 0.0010040700000000 ] - [ 0.0087636600000000, 0.0072885700000000, -0.0000597900000000 ] - [ 0.0088762300000000, -0.0070871600000000, -0.0000164600000000 ] - [ 0.0088445400000000, -0.0070664000000000, 0.0000028200000000 ] - [ 0.0039989700000000, 0.1716070700000000, 0.0754898100000000 ] - [ 0.0099522100000000, 0.1885405500000000, 0.0871328700000000 ] - [ 0.0193200000000000, -0.1869210400000000, -0.0860229600000000 ] - [ 0.0194061700000000, -0.1865665500000000, -0.0866330000000000 ] - [ -0.0195060900000000, 0.1864441700000000, -0.0865835500000000 ] - [ -0.0193641200000000, 0.1868866000000000, -0.0862409000000000 ] - [ -0.0193870800000000, -0.1868090600000000, 0.0861950400000000 ] - [ -0.0193388600000000, -0.1868361000000000, 0.0861971900000000 ] - [ -0.0193216700000000, -0.1873557300000000, -0.0852391600000000 ] - [ -0.0195816500000000, -0.1869665700000000, -0.0863223000000000 ] - [ -0.0193425400000000, 0.1870962800000000, 0.0862555300000000 ] - [ -0.0196009500000000, 0.1865574500000000, 0.0867586000000000 ] - [ 0.0193350400000000, -0.1867703000000000, 0.0862169500000000 ] - [ 0.0194080300000000, -0.1866853300000000, 0.0863583700000000 ] - [ 0.0194186600000000, 0.1868500800000000, -0.0861558100000000 ] - [ 0.0196087100000000, 0.1867250100000000, -0.0862285100000000 ] - [ 0.0128980400000000, -0.0823654900000000, -0.1259128900000000 ] - [ -0.0372138700000000, -0.0833905500000000, -0.1303902000000000 ] - [ -0.0373307600000000, 0.0862772300000000, 0.1321816300000000 ] - [ -0.0375395400000000, 0.0864182900000000, 0.1323350300000000 ] - [ 0.0374857500000000, -0.0861677200000000, 0.1322667100000000 ] - [ 0.0375142200000000, -0.0861353800000000, 0.1322232900000000 ] - [ 0.0376047700000000, 0.0862429300000000, -0.1323354300000000 ] - [ 0.0376456400000000, 0.0862640400000000, -0.1323675400000000 ] - [ 0.0376339700000000, 0.0862681100000000, 0.1323648300000000 ] - [ 0.0374014600000000, 0.0862099000000000, 0.1328660600000000 ] - [ 0.0381244900000000, -0.0861248500000000, -0.1324665400000000 ] - [ 0.0381998400000000, -0.0860948800000000, -0.1325987400000000 ] - [ -0.0376040000000000, 0.0862703100000000, -0.1323742600000000 ] - [ -0.0376492500000000, 0.0862173700000000, -0.1323659900000000 ] - [ -0.0374877600000000, -0.0863838200000000, 0.1326915500000000 ] - [ -0.0376334200000000, -0.0861740100000000, 0.1325337400000000 ] - [ 0.0030679700000000, 0.0237241200000000, -0.0388273000000000 ] - [ 0.0176679900000000, 0.0185297600000000, -0.0463628800000000 ] - [ 0.0195729300000000, -0.0204332900000000, 0.0452734400000000 ] - [ 0.0193729800000000, -0.0202086400000000, 0.0448306600000000 ] - [ -0.0195035100000000, 0.0200964500000000, 0.0446169700000000 ] - [ -0.0194743500000000, 0.0199561700000000, 0.0446236400000000 ] - [ -0.0195209600000000, -0.0202376800000000, -0.0447708000000000 ] - [ -0.0194596700000000, -0.0201846500000000, -0.0446744300000000 ] - [ -0.0195928000000000, -0.0199292100000000, 0.0428217400000000 ] - [ -0.0197164900000000, -0.0187456500000000, 0.0430084700000000 ] - [ -0.0196890700000000, 0.0201266000000000, -0.0446176700000000 ] - [ -0.0201622300000000, 0.0194421500000000, -0.0434813200000000 ] - [ 0.0194651000000000, -0.0201174200000000, -0.0445890700000000 ] - [ 0.0195025300000000, -0.0201019800000000, -0.0447196700000000 ] - [ 0.0191741500000000, 0.0201737800000000, 0.0445853700000000 ] - [ 0.0193624800000000, 0.0201450600000000, 0.0447059200000000 ] - [ 0.0317698700000000, -0.1841004900000000, 0.0136649400000000 ] - [ 0.0329981600000000, -0.1866559000000000, 0.0145748500000000 ] - [ 0.0322874100000000, 0.1870348100000000, -0.0146596000000000 ] - [ 0.0323712400000000, 0.1867476400000000, -0.0144277700000000 ] - [ -0.0324890600000000, -0.1867232500000000, -0.0142705500000000 ] - [ -0.0323974600000000, -0.1867369400000000, -0.0142871500000000 ] - [ -0.0324896200000000, 0.1867603500000000, 0.0144210800000000 ] - [ -0.0324798500000000, 0.1867427800000000, 0.0143742000000000 ] - [ -0.0325064400000000, 0.1865451500000000, -0.0137460500000000 ] - [ -0.0326327900000000, 0.1862571900000000, -0.0140141500000000 ] - [ -0.0319174300000000, -0.1869146000000000, 0.0141860400000000 ] - [ -0.0338919400000000, -0.1870514000000000, 0.0131928900000000 ] - [ 0.0325755400000000, 0.1867029700000000, 0.0143451400000000 ] - [ 0.0324702500000000, 0.1867254500000000, 0.0144327200000000 ] - [ 0.0324411000000000, -0.1867067100000000, -0.0145011300000000 ] - [ 0.0323349600000000, -0.1867670900000000, -0.0143998900000000 ] - [ -0.0590042000000000, 0.0432446100000000, 0.0643792700000000 ] - [ -0.0587813400000000, 0.0435032200000000, 0.0657641900000000 ] - [ -0.0589090100000000, -0.0439773300000000, -0.0655478900000000 ] - [ -0.0589180600000000, -0.0437692900000000, -0.0654692700000000 ] - [ 0.0588844000000000, 0.0440198900000000, -0.0654504600000000 ] - [ 0.0590106800000000, 0.0439789400000000, -0.0654588200000000 ] - [ 0.0587707500000000, -0.0438807700000000, 0.0654974700000000 ] - [ 0.0587705900000000, -0.0438867600000000, 0.0655045800000000 ] - [ 0.0587681300000000, -0.0438483000000000, -0.0656254700000000 ] - [ 0.0587292500000000, -0.0438763100000000, -0.0654127500000000 ] - [ 0.0579832100000000, 0.0451084700000000, 0.0652051200000000 ] - [ 0.0583222400000000, 0.0458196000000000, 0.0664144000000000 ] - [ -0.0588153100000000, -0.0439520700000000, 0.0655231700000000 ] - [ -0.0588126200000000, -0.0438839400000000, 0.0655220400000000 ] - [ -0.0588389100000000, 0.0438715900000000, -0.0654004500000000 ] - [ -0.0588390100000000, 0.0438365700000000, -0.0654246200000000 ] - [ 0.0598678700000000, -0.0171759200000000, 0.0021282100000000 ] - [ 0.0592820100000000, -0.0158358100000000, 0.0021879200000000 ] - [ 0.0599712900000000, 0.0163171700000000, -0.0015668100000000 ] - [ 0.0595107800000000, 0.0160788600000000, -0.0013505000000000 ] - [ -0.0594523000000000, -0.0163014200000000, -0.0015420500000000 ] - [ -0.0598270400000000, -0.0166968900000000, -0.0016606200000000 ] - [ -0.0595879600000000, 0.0162529100000000, 0.0013861100000000 ] - [ -0.0595869400000000, 0.0162897400000000, 0.0014181000000000 ] - [ -0.0596341900000000, 0.0162990200000000, -0.0013983400000000 ] - [ -0.0595205900000000, 0.0162884900000000, -0.0014218700000000 ] - [ -0.0616550600000000, -0.0182256700000000, 0.0013267600000000 ] - [ -0.0625295800000000, -0.0145058800000000, 0.0029493300000000 ] - [ 0.0596217200000000, 0.0163292800000000, 0.0014419400000000 ] - [ 0.0596280200000000, 0.0162791500000000, 0.0014234500000000 ] - [ 0.0597126500000000, -0.0162250200000000, -0.0013966600000000 ] - [ 0.0596592300000000, -0.0160954200000000, -0.0015808700000000 ] - [ 0.0141587500000000, 0.0239927600000000, -0.0003606000000000 ] - [ 0.0145867800000000, 0.0235555800000000, -0.0002466400000000 ] - [ 0.0142013100000000, -0.0235716700000000, 0.0000104700000000 ] - [ 0.0142696900000000, -0.0234033500000000, -0.0001549000000000 ] - [ -0.0145967300000000, 0.0243756900000000, -0.0027036000000000 ] - [ -0.0141366400000000, 0.0240129000000000, -0.0005475400000000 ] - [ -0.0143380100000000, -0.0234818200000000, 0.0000462500000000 ] - [ -0.0143379200000000, -0.0235849400000000, -0.0000020500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010191000000000, 0.0000963500000000, -0.0001317500000000 ] - [ -0.0004022200000000, 0.0003305300000000, 0.0000073000000000 ] - [ 0.0008087100000000, 0.0000448300000000, 0.0000074500000000 ] - [ 0.0007950100000000, -0.0000122600000000, -0.0000024100000000 ] - [ -0.0001808500000000, 0.0045882500000000, -0.0046447300000000 ] - [ 0.0008365400000000, -0.0000559500000000, 0.0000619100000000 ] - [ -0.0007905100000000, -0.0000370400000000, 0.0000424700000000 ] - [ -0.0008064900000000, -0.0000035700000000, 0.0000187200000000 ] - [ -0.0087144300000000, 0.0074735600000000, 0.0003536700000000 ] - [ -0.0088972100000000, 0.0070361000000000, 0.0000533500000000 ] - [ -0.0088733800000000, -0.0071131300000000, 0.0000164000000000 ] - [ -0.0088210700000000, -0.0070816500000000, 0.0000320800000000 ] - [ 0.0092206700000000, 0.0072670900000000, -0.0009104100000000 ] - [ 0.0089619500000000, 0.0071485000000000, -0.0000753500000000 ] - [ 0.0088432300000000, -0.0070883800000000, -0.0000007000000000 ] - [ 0.0088489500000000, -0.0070774200000000, -0.0000244000000000 ] - [ 0.0334075700000000, 0.2141933200000000, 0.1029797200000000 ] - [ 0.0173387800000000, 0.1875250100000000, 0.0865748700000000 ] - [ 0.0194075900000000, -0.1867078900000000, -0.0861779200000000 ] - [ 0.0194114900000000, -0.1866727600000000, -0.0862492400000000 ] - [ -0.0187078200000000, 0.1875228300000000, -0.0852807100000000 ] - [ -0.0194034800000000, 0.1868285900000000, -0.0862304200000000 ] - [ -0.0193134300000000, -0.1868091500000000, 0.0861595300000000 ] - [ -0.0193744500000000, -0.1867840600000000, 0.0862398800000000 ] - [ -0.0187525100000000, -0.1870802600000000, -0.0862302900000000 ] - [ -0.0191954500000000, -0.1867819800000000, -0.0863207300000000 ] - [ -0.0197746800000000, 0.1865858600000000, 0.0863184500000000 ] - [ -0.0192316500000000, 0.1868097200000000, 0.0864784900000000 ] - [ 0.0193218800000000, -0.1868568800000000, 0.0861235000000000 ] - [ 0.0193596300000000, -0.1868052700000000, 0.0862104400000000 ] - [ 0.0193221800000000, 0.1867167500000000, -0.0863719000000000 ] - [ 0.0194269500000000, 0.1867454600000000, -0.0862258800000000 ] - [ -0.0421684800000000, -0.1278561600000000, -0.1464907700000000 ] - [ -0.0404335900000000, -0.0866973300000000, -0.1325300700000000 ] - [ -0.0375696100000000, 0.0862311300000000, 0.1322884700000000 ] - [ -0.0374287800000000, 0.0862705600000000, 0.1323169600000000 ] - [ 0.0376793700000000, -0.0865884400000000, 0.1323959200000000 ] - [ 0.0377105500000000, -0.0861942700000000, 0.1322805500000000 ] - [ 0.0376025600000000, 0.0862373900000000, -0.1322967300000000 ] - [ 0.0375821500000000, 0.0862338700000000, -0.1323758000000000 ] - [ 0.0375814100000000, 0.0863321200000000, 0.1324075400000000 ] - [ 0.0376351900000000, 0.0861346700000000, 0.1325055600000000 ] - [ 0.0377219200000000, -0.0865308000000000, -0.1322950400000000 ] - [ 0.0377518200000000, -0.0865120800000000, -0.1321214800000000 ] - [ -0.0375754000000000, 0.0862308300000000, -0.1323286600000000 ] - [ -0.0376289400000000, 0.0862314500000000, -0.1323690200000000 ] - [ -0.0374612700000000, -0.0861182500000000, 0.1320978700000000 ] - [ -0.0376713800000000, -0.0861963900000000, 0.1323567500000000 ] - [ 0.0145037500000000, 0.0272265500000000, -0.0407564000000000 ] - [ 0.0247909900000000, 0.0171157600000000, -0.0467082700000000 ] - [ 0.0194075800000000, -0.0197210800000000, 0.0441279800000000 ] - [ 0.0194017300000000, -0.0200299800000000, 0.0444882000000000 ] - [ -0.0193886800000000, 0.0202256200000000, 0.0447617900000000 ] - [ -0.0198191200000000, 0.0201734900000000, 0.0448845400000000 ] - [ -0.0193998900000000, -0.0199942500000000, -0.0446154500000000 ] - [ -0.0194790700000000, -0.0200969900000000, -0.0446403000000000 ] - [ -0.0192566000000000, -0.0206848900000000, 0.0458986900000000 ] - [ -0.0198003500000000, -0.0197120700000000, 0.0440258100000000 ] - [ -0.0198973500000000, 0.0203416400000000, -0.0450657200000000 ] - [ -0.0195528400000000, 0.0207048400000000, -0.0442924300000000 ] - [ 0.0195644700000000, -0.0203489100000000, -0.0452373200000000 ] - [ 0.0194716800000000, -0.0200889400000000, -0.0446878700000000 ] - [ 0.0195882800000000, 0.0201934800000000, 0.0446852000000000 ] - [ 0.0194854700000000, 0.0200982800000000, 0.0446923900000000 ] - [ 0.0315780600000000, -0.1850160800000000, 0.0157027400000000 ] - [ 0.0322532900000000, -0.1867359500000000, 0.0144827500000000 ] - [ 0.0325903800000000, 0.1865366100000000, -0.0139116300000000 ] - [ 0.0325430800000000, 0.1867043800000000, -0.0143800200000000 ] - [ -0.0325898400000000, -0.1868004500000000, -0.0143246300000000 ] - [ -0.0325297200000000, -0.1867647400000000, -0.0142661000000000 ] - [ -0.0325632800000000, 0.1866372800000000, 0.0143429500000000 ] - [ -0.0324882200000000, 0.1866934400000000, 0.0143407000000000 ] - [ -0.0325860800000000, 0.1868103500000000, -0.0146769400000000 ] - [ -0.0325321700000000, 0.1865131600000000, -0.0141410300000000 ] - [ -0.0327242900000000, -0.1864225200000000, 0.0144490100000000 ] - [ -0.0324229300000000, -0.1856308200000000, 0.0144369500000000 ] - [ 0.0323412300000000, 0.1869770500000000, 0.0144824600000000 ] - [ 0.0325221000000000, 0.1867232200000000, 0.0143691900000000 ] - [ 0.0323511800000000, -0.1866827800000000, -0.0143687400000000 ] - [ 0.0323775500000000, -0.1867442100000000, -0.0144055300000000 ] - [ -0.0594866700000000, 0.0432708100000000, 0.0642388900000000 ] - [ -0.0589919500000000, 0.0442824700000000, 0.0648000300000000 ] - [ -0.0587705300000000, -0.0439980300000000, -0.0655353300000000 ] - [ -0.0587565200000000, -0.0439272500000000, -0.0655770200000000 ] - [ 0.0587479800000000, 0.0439617100000000, -0.0655204100000000 ] - [ 0.0588845300000000, 0.0439805700000000, -0.0653490000000000 ] - [ 0.0588008300000000, -0.0439236700000000, 0.0655088100000000 ] - [ 0.0587578600000000, -0.0438922200000000, 0.0655008000000000 ] - [ 0.0587899000000000, -0.0439499100000000, -0.0655139400000000 ] - [ 0.0587369300000000, -0.0439772300000000, -0.0654208800000000 ] - [ 0.0570804200000000, 0.0445435300000000, 0.0644393700000000 ] - [ 0.0580992800000000, 0.0416675200000000, 0.0646233700000000 ] - [ -0.0587992200000000, -0.0439346500000000, 0.0654943200000000 ] - [ -0.0588237200000000, -0.0439277800000000, 0.0654608600000000 ] - [ -0.0587163900000000, 0.0437565500000000, -0.0655180100000000 ] - [ -0.0587518700000000, 0.0438565100000000, -0.0655496700000000 ] - [ 0.0601584400000000, -0.0140544100000000, 0.0005167300000000 ] - [ 0.0599521500000000, -0.0154880100000000, 0.0016053300000000 ] - [ 0.0595605800000000, 0.0164473900000000, -0.0014074800000000 ] - [ 0.0595827900000000, 0.0162837300000000, -0.0014843900000000 ] - [ -0.0594246100000000, -0.0170346200000000, -0.0020867400000000 ] - [ -0.0596574400000000, -0.0164840500000000, -0.0015439800000000 ] - [ -0.0596279800000000, 0.0163565000000000, 0.0014299100000000 ] - [ -0.0596049500000000, 0.0162887900000000, 0.0014188100000000 ] - [ -0.0597094400000000, 0.0164096100000000, -0.0014132400000000 ] - [ -0.0595042700000000, 0.0163147300000000, -0.0013739200000000 ] - [ -0.0596927900000000, -0.0161862500000000, 0.0004959500000000 ] - [ -0.0605120100000000, -0.0151786100000000, 0.0029806600000000 ] - [ 0.0597526400000000, 0.0163444800000000, 0.0014806400000000 ] - [ 0.0596065900000000, 0.0163428000000000, 0.0014202400000000 ] - [ 0.0595707600000000, -0.0161934800000000, -0.0015518100000000 ] - [ 0.0596967000000000, -0.0161771100000000, -0.0013004800000000 ] - [ 0.0144535700000000, 0.0228723700000000, 0.0006896300000000 ] - [ 0.0141357600000000, 0.0233697100000000, 0.0000408800000000 ] - [ 0.0143022300000000, -0.0236476900000000, 0.0000092300000000 ] - [ 0.0142729300000000, -0.0235904800000000, 0.0000004200000000 ] - [ -0.0154417600000000, 0.0232597700000000, 0.0019467400000000 ] - [ -0.0142857900000000, 0.0237689800000000, -0.0003271900000000 ] - [ -0.0142303000000000, -0.0235970500000000, 0.0000323600000000 ] - [ -0.0142749900000000, -0.0235699300000000, 0.0000030400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005865200000000, -0.0000994900000000, 0.0001272900000000 ] - [ -0.0012170600000000, -0.0003302500000000, -0.0000065600000000 ] - [ 0.0008037000000000, -0.0000450900000000, -0.0000093900000000 ] - [ 0.0008159200000000, 0.0000125600000000, 0.0000018800000000 ] - [ 0.0018174800000000, -0.0047020100000000, 0.0047697000000000 ] - [ 0.0007732000000000, 0.0000546300000000, -0.0000630500000000 ] - [ -0.0008212500000000, 0.0000371400000000, -0.0000429900000000 ] - [ -0.0008052300000000, 0.0000036200000000, -0.0000194700000000 ] - [ -0.0089918600000000, 0.0067028800000000, -0.0003566200000000 ] - [ -0.0088057500000000, 0.0071491500000000, -0.0000519400000000 ] - [ -0.0088310800000000, -0.0070715900000000, -0.0000173100000000 ] - [ -0.0088841700000000, -0.0071025200000000, -0.0000336400000000 ] - [ 0.0084860000000000, 0.0069117200000000, 0.0009165000000000 ] - [ 0.0087411800000000, 0.0070365100000000, 0.0000752900000000 ] - [ 0.0088615700000000, -0.0070958400000000, -0.0000004000000000 ] - [ 0.0088550900000000, -0.0071066400000000, 0.0000234700000000 ] - [ 0.0059582400000000, 0.1599189300000000, 0.0700052000000000 ] - [ 0.0214108300000000, 0.1860262900000000, 0.0858537000000000 ] - [ 0.0193168300000000, -0.1868655500000000, -0.0862664800000000 ] - [ 0.0193153100000000, -0.1869022200000000, -0.0861970000000000 ] - [ -0.0200133700000000, 0.1860580600000000, -0.0871551100000000 ] - [ -0.0193238600000000, 0.1867457800000000, -0.0862173200000000 ] - [ -0.0194122800000000, -0.1867652000000000, 0.0862877600000000 ] - [ -0.0193533800000000, -0.1867903100000000, 0.0862075900000000 ] - [ -0.0199754400000000, -0.1864945100000000, -0.0862197800000000 ] - [ -0.0195316400000000, -0.1867913000000000, -0.0861243400000000 ] - [ -0.0189488000000000, 0.1869964200000000, 0.0861320200000000 ] - [ -0.0194984000000000, 0.1867703000000000, 0.0859657200000000 ] - [ 0.0194058700000000, -0.1867173500000000, 0.0863247400000000 ] - [ 0.0193681700000000, -0.1867692900000000, 0.0862374600000000 ] - [ 0.0194042800000000, 0.1868567100000000, -0.0860730400000000 ] - [ 0.0193001400000000, 0.1868293600000000, -0.0862202900000000 ] - [ -0.0336555200000000, -0.0449967100000000, -0.1189170600000000 ] - [ -0.0347674700000000, -0.0857789300000000, -0.1321807200000000 ] - [ -0.0376557000000000, 0.0862304900000000, 0.1324169500000000 ] - [ -0.0377991600000000, 0.0861923200000000, 0.1323880700000000 ] - [ 0.0375493900000000, -0.0858767400000000, 0.1323080400000000 ] - [ 0.0375189800000000, -0.0862673000000000, 0.1324247200000000 ] - [ 0.0376236500000000, 0.0862258700000000, -0.1324076300000000 ] - [ 0.0376439500000000, 0.0862292400000000, -0.1323286100000000 ] - [ 0.0376494700000000, 0.0861326100000000, 0.1322935400000000 ] - [ 0.0375895600000000, 0.0863285700000000, 0.1321971900000000 ] - [ 0.0375047300000000, -0.0859386200000000, -0.1324174700000000 ] - [ 0.0374778900000000, -0.0859516900000000, -0.1325855100000000 ] - [ -0.0376510300000000, 0.0862329900000000, -0.1323756800000000 ] - [ -0.0375985500000000, 0.0862315200000000, -0.1323353600000000 ] - [ -0.0377646300000000, -0.0863411700000000, 0.1326100800000000 ] - [ -0.0375546100000000, -0.0862661600000000, 0.1323466400000000 ] - [ 0.0243715600000000, 0.0130273800000000, -0.0485707700000000 ] - [ 0.0141456300000000, 0.0231076000000000, -0.0426868600000000 ] - [ 0.0195612600000000, -0.0205125500000000, 0.0452785100000000 ] - [ 0.0195668000000000, -0.0202032200000000, 0.0449124200000000 ] - [ -0.0195802900000000, 0.0200060600000000, 0.0446382100000000 ] - [ -0.0191538000000000, 0.0200594600000000, 0.0445181100000000 ] - [ -0.0195692100000000, -0.0202428600000000, -0.0447881400000000 ] - [ -0.0194898400000000, -0.0201367300000000, -0.0447614200000000 ] - [ -0.0197030700000000, -0.0195285300000000, 0.0434789100000000 ] - [ -0.0191673500000000, -0.0205268300000000, 0.0453828800000000 ] - [ -0.0190674200000000, 0.0198938300000000, -0.0443330000000000 ] - [ -0.0194253500000000, 0.0195369200000000, -0.0451111400000000 ] - [ 0.0194063300000000, -0.0198903200000000, -0.0441735800000000 ] - [ 0.0194978300000000, -0.0201453600000000, -0.0447136800000000 ] - [ 0.0193778600000000, 0.0200401000000000, 0.0447148300000000 ] - [ 0.0194839700000000, 0.0201346600000000, 0.0447077300000000 ] - [ 0.0333789800000000, -0.1884003400000000, 0.0130227800000000 ] - [ 0.0327201400000000, -0.1867051300000000, 0.0142386700000000 ] - [ 0.0323930700000000, 0.1869100800000000, -0.0148116600000000 ] - [ 0.0324407600000000, 0.1867387000000000, -0.0143400700000000 ] - [ -0.0323956000000000, -0.1866459800000000, -0.0143947300000000 ] - [ -0.0324576100000000, -0.1866811200000000, -0.0144516000000000 ] - [ -0.0324198500000000, 0.1868088400000000, 0.0143776300000000 ] - [ -0.0324958100000000, 0.1867512600000000, 0.0143786600000000 ] - [ -0.0324072100000000, 0.1866171600000000, -0.0140311500000000 ] - [ -0.0324512500000000, 0.1869352300000000, -0.0145804700000000 ] - [ -0.0322520900000000, -0.1870365500000000, 0.0142686700000000 ] - [ -0.0325348300000000, -0.1878191200000000, 0.0142873400000000 ] - [ 0.0326395700000000, 0.1864711100000000, 0.0142421400000000 ] - [ 0.0324616900000000, 0.1867214600000000, 0.0143500900000000 ] - [ 0.0326360700000000, -0.1867613300000000, -0.0143461900000000 ] - [ 0.0326083900000000, -0.1867011200000000, -0.0143110300000000 ] - [ -0.0581312900000000, 0.0445405500000000, 0.0667334500000000 ] - [ -0.0586015200000000, 0.0435322800000000, 0.0661776700000000 ] - [ -0.0588324800000000, -0.0438071400000000, -0.0654520200000000 ] - [ -0.0588447200000000, -0.0438797500000000, -0.0654011600000000 ] - [ 0.0588554600000000, 0.0438449700000000, -0.0654684400000000 ] - [ 0.0587124300000000, 0.0438256600000000, -0.0656429200000000 ] - [ 0.0588008400000000, -0.0438813300000000, 0.0654803000000000 ] - [ 0.0588443400000000, -0.0439132500000000, 0.0654877700000000 ] - [ 0.0588108300000000, -0.0438546900000000, -0.0654743100000000 ] - [ 0.0588640800000000, -0.0438290100000000, -0.0655672300000000 ] - [ 0.0605706700000000, 0.0432679900000000, 0.0665413000000000 ] - [ 0.0594738000000000, 0.0461473800000000, 0.0663678200000000 ] - [ -0.0588024500000000, -0.0438703700000000, 0.0654938000000000 ] - [ -0.0587783100000000, -0.0438767700000000, 0.0655278500000000 ] - [ -0.0588854500000000, 0.0440505400000000, -0.0654716000000000 ] - [ -0.0588505600000000, 0.0439499300000000, -0.0654406600000000 ] - [ 0.0591295100000000, -0.0185594700000000, 0.0023638600000000 ] - [ 0.0593301500000000, -0.0171486300000000, 0.0012760800000000 ] - [ 0.0597170400000000, 0.0161868200000000, -0.0014757200000000 ] - [ 0.0596902300000000, 0.0163544900000000, -0.0013952300000000 ] - [ -0.0598599300000000, -0.0155934000000000, -0.0007870100000000 ] - [ -0.0596137000000000, -0.0161505100000000, -0.0013343400000000 ] - [ -0.0596444100000000, 0.0162801100000000, 0.0014510600000000 ] - [ -0.0596675400000000, 0.0163464900000000, 0.0014616200000000 ] - [ -0.0595572000000000, 0.0162306400000000, -0.0014653100000000 ] - [ -0.0597707300000000, 0.0163217600000000, -0.0015077100000000 ] - [ -0.0595845300000000, -0.0165124200000000, 0.0023893600000000 ] - [ -0.0587678200000000, -0.0174689600000000, -0.0001000800000000 ] - [ 0.0595218800000000, 0.0162887900000000, 0.0013995100000000 ] - [ 0.0596651800000000, 0.0162925000000000, 0.0014595300000000 ] - [ 0.0597006300000000, -0.0164445900000000, -0.0013258000000000 ] - [ 0.0595755900000000, -0.0164614400000000, -0.0015775500000000 ] - [ 0.0140797400000000, 0.0242876500000000, -0.0006837800000000 ] - [ 0.0143966800000000, 0.0237914100000000, -0.0000392600000000 ] - [ 0.0142326000000000, -0.0235093800000000, -0.0000090300000000 ] - [ 0.0142629500000000, -0.0235686200000000, -0.0000017500000000 ] - [ -0.0130843100000000, 0.0238857700000000, -0.0019724000000000 ] - [ -0.0142535800000000, 0.0233878900000000, 0.0003363600000000 ] - [ -0.0143078200000000, -0.0235646700000000, -0.0000330700000000 ] - [ -0.0142603600000000, -0.0235891700000000, -0.0000039200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008131000000000, -0.0000277100000000, 0.0002232800000000 ] - [ -0.0005436200000000, -0.0000046500000000, 0.0001031800000000 ] - [ 0.0008466900000000, 0.0000142600000000, -0.0000422100000000 ] - [ 0.0007829900000000, -0.0000126500000000, -0.0000266100000000 ] - [ 0.0013257800000000, -0.0045476000000000, 0.0035276700000000 ] - [ 0.0008329700000000, 0.0000684200000000, 0.0001294600000000 ] - [ -0.0007839800000000, -0.0000382400000000, 0.0000200900000000 ] - [ -0.0007894400000000, 0.0000005300000000, 0.0000135600000000 ] - [ -0.0086609600000000, 0.0072685800000000, 0.0000756700000000 ] - [ -0.0089344300000000, 0.0070875900000000, 0.0000251100000000 ] - [ -0.0088673200000000, -0.0071056100000000, -0.0000628400000000 ] - [ -0.0088623100000000, -0.0069897100000000, -0.0001297900000000 ] - [ 0.0077099600000000, 0.0063898000000000, 0.0018745500000000 ] - [ 0.0089125400000000, 0.0071311500000000, -0.0000356100000000 ] - [ 0.0088287500000000, -0.0071050100000000, -0.0000529000000000 ] - [ 0.0088576700000000, -0.0070869700000000, -0.0000474800000000 ] - [ 0.0297258300000000, 0.2035212000000000, 0.0999789200000000 ] - [ 0.0169195800000000, 0.1877904400000000, 0.0858480400000000 ] - [ 0.0192865900000000, -0.1868464700000000, -0.0858772300000000 ] - [ 0.0192672100000000, -0.1866487500000000, -0.0863732500000000 ] - [ -0.0192041800000000, 0.1874229600000000, -0.0855436600000000 ] - [ -0.0193551300000000, 0.1868224500000000, -0.0862060900000000 ] - [ -0.0194113100000000, -0.1867083200000000, 0.0863129000000000 ] - [ -0.0193612200000000, -0.1867645500000000, 0.0862226800000000 ] - [ -0.0203116900000000, -0.1866079400000000, -0.0859634400000000 ] - [ -0.0195092200000000, -0.1864013700000000, -0.0865396000000000 ] - [ -0.0195859400000000, 0.1862388100000000, 0.0864127700000000 ] - [ -0.0191095200000000, 0.1863398400000000, 0.0862005900000000 ] - [ 0.0193881300000000, -0.1867786600000000, 0.0862081300000000 ] - [ 0.0193211700000000, -0.1867743000000000, 0.0862721700000000 ] - [ 0.0193698100000000, 0.1866775200000000, -0.0862571600000000 ] - [ 0.0193657100000000, 0.1867401500000000, -0.0861643700000000 ] - [ -0.0444666300000000, -0.1001107300000000, -0.1627548400000000 ] - [ -0.0395669900000000, -0.0864086800000000, -0.1323539200000000 ] - [ -0.0377795300000000, 0.0861684400000000, 0.1324813300000000 ] - [ -0.0376297900000000, 0.0861965000000000, 0.1323728400000000 ] - [ 0.0376945500000000, -0.0862770900000000, 0.1324697000000000 ] - [ 0.0377388400000000, -0.0861595300000000, 0.1323472600000000 ] - [ 0.0376288800000000, 0.0861762900000000, -0.1323632300000000 ] - [ 0.0375970000000000, 0.0862549000000000, -0.1324315100000000 ] - [ 0.0375993900000000, 0.0862870400000000, 0.1318079200000000 ] - [ 0.0370988100000000, 0.0863876100000000, 0.1329287600000000 ] - [ 0.0374942000000000, -0.0861716300000000, -0.1320665700000000 ] - [ 0.0373679200000000, -0.0860002000000000, -0.1321217700000000 ] - [ -0.0375898800000000, 0.0862080000000000, -0.1323209200000000 ] - [ -0.0375984900000000, 0.0862485000000000, -0.1323788900000000 ] - [ -0.0372709800000000, -0.0859765800000000, 0.1322491200000000 ] - [ -0.0374282300000000, -0.0862365400000000, 0.1323800600000000 ] - [ 0.0156849100000000, 0.0230468100000000, -0.0380356300000000 ] - [ 0.0231353500000000, 0.0182667500000000, -0.0458611700000000 ] - [ 0.0197258400000000, -0.0199054100000000, 0.0445818300000000 ] - [ 0.0194995800000000, -0.0200519000000000, 0.0449644200000000 ] - [ -0.0194451600000000, 0.0201410600000000, 0.0447314800000000 ] - [ -0.0195970400000000, 0.0201175100000000, 0.0447245400000000 ] - [ -0.0194853900000000, -0.0200463500000000, -0.0446995100000000 ] - [ -0.0194066600000000, -0.0201412800000000, -0.0446702300000000 ] - [ -0.0177822300000000, -0.0190412300000000, 0.0476194600000000 ] - [ -0.0187862800000000, -0.0201507600000000, 0.0441210100000000 ] - [ -0.0193561600000000, 0.0201753800000000, -0.0448327900000000 ] - [ -0.0191225600000000, 0.0193830900000000, -0.0438046900000000 ] - [ 0.0196796300000000, -0.0204926100000000, -0.0453331600000000 ] - [ 0.0194541100000000, -0.0201729400000000, -0.0447315400000000 ] - [ 0.0194128400000000, 0.0201510800000000, 0.0446575400000000 ] - [ 0.0193010000000000, 0.0200498900000000, 0.0446753100000000 ] - [ 0.0319177700000000, -0.1860236300000000, 0.0134693500000000 ] - [ 0.0326565100000000, -0.1869739300000000, 0.0142334000000000 ] - [ 0.0324633500000000, 0.1866918800000000, -0.0143396300000000 ] - [ 0.0324549000000000, 0.1868711100000000, -0.0146608400000000 ] - [ -0.0322478000000000, -0.1867040600000000, -0.0144012300000000 ] - [ -0.0325420300000000, -0.1866320900000000, -0.0144146600000000 ] - [ -0.0325576700000000, 0.1866641700000000, 0.0143387300000000 ] - [ -0.0325225400000000, 0.1866921400000000, 0.0143195100000000 ] - [ -0.0324926800000000, 0.1867612100000000, -0.0149792100000000 ] - [ -0.0326242800000000, 0.1866953300000000, -0.0141827000000000 ] - [ -0.0328229300000000, -0.1864375400000000, 0.0143221100000000 ] - [ -0.0327102500000000, -0.1853778600000000, 0.0138536100000000 ] - [ 0.0322826600000000, 0.1871038800000000, 0.0148567700000000 ] - [ 0.0324907200000000, 0.1867068800000000, 0.0144136000000000 ] - [ 0.0324880100000000, -0.1867162000000000, -0.0144528100000000 ] - [ 0.0325315900000000, -0.1866246700000000, -0.0143628600000000 ] - [ -0.0583150500000000, 0.0434851400000000, 0.0656727700000000 ] - [ -0.0592699200000000, 0.0434416300000000, 0.0657357000000000 ] - [ -0.0588466100000000, -0.0439507700000000, -0.0654879300000000 ] - [ -0.0588736300000000, -0.0445113200000000, -0.0647105900000000 ] - [ 0.0586995600000000, 0.0438893600000000, -0.0655263600000000 ] - [ 0.0585631300000000, 0.0439294800000000, -0.0654415400000000 ] - [ 0.0588073700000000, -0.0438919100000000, 0.0654949400000000 ] - [ 0.0587616400000000, -0.0438374700000000, 0.0654794600000000 ] - [ 0.0588231000000000, -0.0440698900000000, -0.0653991300000000 ] - [ 0.0588375600000000, -0.0438888600000000, -0.0655202500000000 ] - [ 0.0598833000000000, 0.0422198800000000, 0.0651638600000000 ] - [ 0.0578774500000000, 0.0430237600000000, 0.0651067100000000 ] - [ -0.0587985800000000, -0.0439059800000000, 0.0654890600000000 ] - [ -0.0588096100000000, -0.0438455600000000, 0.0655188600000000 ] - [ -0.0588339400000000, 0.0438635700000000, -0.0654626200000000 ] - [ -0.0587734600000000, 0.0438696200000000, -0.0654975900000000 ] - [ 0.0595121100000000, -0.0163591100000000, 0.0012867200000000 ] - [ 0.0594135000000000, -0.0165418000000000, 0.0018088700000000 ] - [ 0.0599145200000000, 0.0163245000000000, -0.0016726400000000 ] - [ 0.0595289300000000, 0.0162608700000000, -0.0014071400000000 ] - [ -0.0593193200000000, -0.0156267900000000, 0.0001391100000000 ] - [ -0.0597006500000000, -0.0164349900000000, -0.0014877000000000 ] - [ -0.0596048000000000, 0.0162497700000000, 0.0014054500000000 ] - [ -0.0595985400000000, 0.0162972500000000, 0.0014661700000000 ] - [ -0.0596803500000000, 0.0162348300000000, -0.0015798200000000 ] - [ -0.0595768900000000, 0.0161987600000000, -0.0014481800000000 ] - [ -0.0584789200000000, -0.0153610200000000, 0.0016589600000000 ] - [ -0.0597582700000000, -0.0157463500000000, 0.0017430100000000 ] - [ 0.0597374100000000, 0.0162452000000000, 0.0014164400000000 ] - [ 0.0596004500000000, 0.0162410100000000, 0.0014097600000000 ] - [ 0.0596261300000000, -0.0163528900000000, -0.0015686500000000 ] - [ 0.0596900400000000, -0.0162504500000000, -0.0015806300000000 ] - [ 0.0143494800000000, 0.0234798200000000, -0.0001587000000000 ] - [ 0.0143168000000000, 0.0236017900000000, -0.0002261500000000 ] - [ 0.0142407000000000, -0.0235621300000000, 0.0000207100000000 ] - [ 0.0142598500000000, -0.0235085900000000, -0.0000771800000000 ] - [ -0.0147600400000000, 0.0223911900000000, 0.0019333500000000 ] - [ -0.0141668500000000, 0.0236787900000000, -0.0001304600000000 ] - [ -0.0142164800000000, -0.0234612200000000, -0.0000271900000000 ] - [ -0.0142653100000000, -0.0234963000000000, -0.0000313700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007953600000000, 0.0000245900000000, -0.0002243800000000 ] - [ -0.0010742700000000, 0.0000045800000000, -0.0001017700000000 ] - [ 0.0007646600000000, -0.0000144400000000, 0.0000422400000000 ] - [ 0.0008279400000000, 0.0000124100000000, 0.0000262000000000 ] - [ 0.0002978000000000, 0.0044542800000000, -0.0034733700000000 ] - [ 0.0007789300000000, -0.0000691700000000, -0.0001314100000000 ] - [ -0.0008268200000000, 0.0000383600000000, -0.0000195800000000 ] - [ -0.0008220000000000, -0.0000005300000000, -0.0000137600000000 ] - [ -0.0090424900000000, 0.0069155100000000, -0.0000752700000000 ] - [ -0.0087698700000000, 0.0070969000000000, -0.0000239200000000 ] - [ -0.0088364200000000, -0.0070788200000000, 0.0000622200000000 ] - [ -0.0088417300000000, -0.0071939100000000, 0.0001286100000000 ] - [ 0.0100342700000000, 0.0078106000000000, -0.0019225200000000 ] - [ 0.0087894400000000, 0.0070533600000000, 0.0000378600000000 ] - [ 0.0088747000000000, -0.0070793300000000, 0.0000526600000000 ] - [ 0.0088457400000000, -0.0070974300000000, 0.0000476700000000 ] - [ 0.0092588900000000, 0.1703397000000000, 0.0725447500000000 ] - [ 0.0218332700000000, 0.1857637100000000, 0.0865859500000000 ] - [ 0.0194404100000000, -0.1867326700000000, -0.0865689800000000 ] - [ 0.0194588400000000, -0.1869285600000000, -0.0860706100000000 ] - [ -0.0195173200000000, 0.1861572800000000, -0.0869001000000000 ] - [ -0.0193714600000000, 0.1867535300000000, -0.0862413300000000 ] - [ -0.0193159000000000, -0.1868672100000000, 0.0861354900000000 ] - [ -0.0193659800000000, -0.1868106200000000, 0.0862253800000000 ] - [ -0.0184355800000000, -0.1869618300000000, -0.0864744200000000 ] - [ -0.0192218700000000, -0.1871715000000000, -0.0859050600000000 ] - [ -0.0191398400000000, 0.1873408600000000, 0.0860211400000000 ] - [ -0.0196184500000000, 0.1872388200000000, 0.0862454400000000 ] - [ 0.0193387700000000, -0.1867968600000000, 0.0862390300000000 ] - [ 0.0194058700000000, -0.1868024000000000, 0.0861756600000000 ] - [ 0.0193585800000000, 0.1868979800000000, -0.0861901500000000 ] - [ 0.0193617000000000, 0.1868361700000000, -0.0862825800000000 ] - [ -0.0309818800000000, -0.0725405800000000, -0.1019589400000000 ] - [ -0.0356555700000000, -0.0860590000000000, -0.1323504900000000 ] - [ -0.0374433900000000, 0.0862970000000000, 0.1322257900000000 ] - [ -0.0375962100000000, 0.0862678000000000, 0.1323324200000000 ] - [ 0.0375321700000000, -0.0861890000000000, 0.1322324400000000 ] - [ 0.0374905800000000, -0.0863034100000000, 0.1323578500000000 ] - [ 0.0375983900000000, 0.0862872000000000, -0.1323410600000000 ] - [ 0.0376300000000000, 0.0862077400000000, -0.1322732100000000 ] - [ 0.0376271500000000, 0.0861732200000000, 0.1328873600000000 ] - [ 0.0381266700000000, 0.0860795900000000, 0.1317773500000000 ] - [ 0.0377322100000000, -0.0862935900000000, -0.1326407200000000 ] - [ 0.0378622100000000, -0.0864637100000000, -0.1325796200000000 ] - [ -0.0376365000000000, 0.0862551200000000, -0.1323835100000000 ] - [ -0.0376285600000000, 0.0862149100000000, -0.1323257500000000 ] - [ -0.0379587400000000, -0.0864885100000000, 0.1324542500000000 ] - [ -0.0378009000000000, -0.0862261300000000, 0.1323252400000000 ] - [ 0.0232231500000000, 0.0172300200000000, -0.0513951400000000 ] - [ 0.0158207700000000, 0.0219768900000000, -0.0435426100000000 ] - [ 0.0192412100000000, -0.0203284800000000, 0.0448214200000000 ] - [ 0.0194665700000000, -0.0201824200000000, 0.0444373400000000 ] - [ -0.0195241500000000, 0.0200926200000000, 0.0446695300000000 ] - [ -0.0193725800000000, 0.0201150700000000, 0.0446764500000000 ] - [ -0.0194827100000000, -0.0201866900000000, -0.0447013900000000 ] - [ -0.0195619500000000, -0.0200918800000000, -0.0447314100000000 ] - [ -0.0211570200000000, -0.0211791400000000, 0.0418146600000000 ] - [ -0.0201723800000000, -0.0200936000000000, 0.0452919700000000 ] - [ -0.0196107200000000, 0.0200586900000000, -0.0445737100000000 ] - [ -0.0198477300000000, 0.0208599100000000, -0.0456073900000000 ] - [ 0.0192861400000000, -0.0197363500000000, -0.0440656500000000 ] - [ 0.0195144900000000, -0.0200618600000000, -0.0446703500000000 ] - [ 0.0195561200000000, 0.0200815900000000, 0.0447438200000000 ] - [ 0.0196674900000000, 0.0201835300000000, 0.0447253800000000 ] - [ 0.0330892900000000, -0.1874518000000000, 0.0152448900000000 ] - [ 0.0323261100000000, -0.1864733300000000, 0.0144850900000000 ] - [ 0.0325208800000000, 0.1867543600000000, -0.0143763900000000 ] - [ 0.0325284000000000, 0.1865724500000000, -0.0140598400000000 ] - [ -0.0327390700000000, -0.1867414900000000, -0.0143165100000000 ] - [ -0.0324441500000000, -0.1868135900000000, -0.0143020800000000 ] - [ -0.0324273700000000, 0.1867805200000000, 0.0143795000000000 ] - [ -0.0324614100000000, 0.1867534000000000, 0.0144000200000000 ] - [ -0.0324908200000000, 0.1866857200000000, -0.0137474800000000 ] - [ -0.0323629800000000, 0.1867520700000000, -0.0145389900000000 ] - [ -0.0321614700000000, -0.1870143500000000, 0.0143930100000000 ] - [ -0.0322624500000000, -0.1880845700000000, 0.0148625900000000 ] - [ 0.0327010700000000, 0.1863406600000000, 0.0138583700000000 ] - [ 0.0324938100000000, 0.1867394500000000, 0.0143060600000000 ] - [ 0.0324982700000000, -0.1867277600000000, -0.0142675700000000 ] - [ 0.0324528000000000, -0.1868215100000000, -0.0143548000000000 ] - [ -0.0592924600000000, 0.0443309000000000, 0.0653218900000000 ] - [ -0.0583330300000000, 0.0443673100000000, 0.0652552800000000 ] - [ -0.0587566700000000, -0.0438576000000000, -0.0655002800000000 ] - [ -0.0587290400000000, -0.0433009000000000, -0.0662744100000000 ] - [ 0.0589038500000000, 0.0439181300000000, -0.0654620300000000 ] - [ 0.0590441400000000, 0.0438776300000000, -0.0655421400000000 ] - [ 0.0587947900000000, -0.0439143900000000, 0.0654937900000000 ] - [ 0.0588404400000000, -0.0439684300000000, 0.0655094700000000 ] - [ 0.0587774700000000, -0.0437373800000000, -0.0655888700000000 ] - [ 0.0587631100000000, -0.0439155900000000, -0.0654687200000000 ] - [ 0.0577098900000000, 0.0456250700000000, 0.0657695600000000 ] - [ 0.0597306900000000, 0.0447860900000000, 0.0658838500000000 ] - [ -0.0588035100000000, -0.0439008300000000, 0.0654976100000000 ] - [ -0.0587928300000000, -0.0439606300000000, 0.0654696000000000 ] - [ -0.0587686900000000, 0.0439416800000000, -0.0655271300000000 ] - [ -0.0588294300000000, 0.0439357900000000, -0.0654911000000000 ] - [ 0.0597593700000000, -0.0162835400000000, 0.0015888400000000 ] - [ 0.0598628700000000, -0.0160971000000000, 0.0010717400000000 ] - [ 0.0593619000000000, 0.0163133600000000, -0.0012089700000000 ] - [ 0.0597441500000000, 0.0163790600000000, -0.0014727500000000 ] - [ -0.0599659300000000, -0.0170554800000000, -0.0030713200000000 ] - [ -0.0595728800000000, -0.0162014300000000, -0.0013930100000000 ] - [ -0.0596678200000000, 0.0163863500000000, 0.0014742000000000 ] - [ -0.0596743900000000, 0.0163387500000000, 0.0014135300000000 ] - [ -0.0595936300000000, 0.0164019100000000, -0.0013007000000000 ] - [ -0.0596954400000000, 0.0164390200000000, -0.0014320100000000 ] - [ -0.0608303800000000, -0.0173318900000000, 0.0012616400000000 ] - [ -0.0595291400000000, -0.0168936300000000, 0.0011701400000000 ] - [ 0.0595359600000000, 0.0163902500000000, 0.0014644500000000 ] - [ 0.0596720800000000, 0.0163963000000000, 0.0014711400000000 ] - [ 0.0596463900000000, -0.0162813600000000, -0.0013111900000000 ] - [ 0.0595821400000000, -0.0163863200000000, -0.0012983300000000 ] - [ 0.0141843300000000, 0.0236866000000000, 0.0001611700000000 ] - [ 0.0142170200000000, 0.0235574900000000, 0.0002252500000000 ] - [ 0.0142945700000000, -0.0235971000000000, -0.0000196700000000 ] - [ 0.0142756700000000, -0.0236523100000000, 0.0000763500000000 ] - [ -0.0137839900000000, 0.0248034000000000, -0.0019597900000000 ] - [ -0.0143731300000000, 0.0234828700000000, 0.0001329400000000 ] - [ -0.0143177700000000, -0.0236993700000000, 0.0000287000000000 ] - [ -0.0142703500000000, -0.0236628900000000, 0.0000320200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002433600000000, 0.0034130000000000, 0.0020522200000000 ] - [ 0.0000580000000000, -0.0008358200000000, -0.0002344000000000 ] - [ 0.0008173700000000, -0.0000291600000000, -0.0000709400000000 ] - [ 0.0007813400000000, -0.0000390500000000, -0.0000686800000000 ] - [ 0.0008409100000000, -0.0006573900000000, 0.0005243600000000 ] - [ 0.0008713500000000, 0.0002940700000000, 0.0003608000000000 ] - [ -0.0007749100000000, 0.0000150300000000, 0.0000130400000000 ] - [ -0.0007554600000000, 0.0000392800000000, 0.0000355700000000 ] - [ -0.0087317400000000, 0.0069372300000000, -0.0001421400000000 ] - [ -0.0088677600000000, 0.0068887000000000, -0.0001038000000000 ] - [ -0.0089172700000000, -0.0071185800000000, -0.0000467200000000 ] - [ -0.0087729700000000, -0.0070992200000000, -0.0000248700000000 ] - [ 0.0093447400000000, 0.0075173500000000, -0.0008343400000000 ] - [ 0.0087335200000000, 0.0071832500000000, 0.0003795100000000 ] - [ 0.0088408700000000, -0.0070669600000000, 0.0000092900000000 ] - [ 0.0088578700000000, -0.0070290800000000, -0.0000315700000000 ] - [ 0.0202525800000000, 0.1890050800000000, 0.0873500400000000 ] - [ 0.0217073800000000, 0.1824335700000000, 0.0849954000000000 ] - [ 0.0195614500000000, -0.1865873100000000, -0.0865169300000000 ] - [ 0.0193310700000000, -0.1865386500000000, -0.0864087100000000 ] - [ -0.0190445200000000, 0.1872315300000000, -0.0856536300000000 ] - [ -0.0193544100000000, 0.1867055200000000, -0.0863074700000000 ] - [ -0.0194152000000000, -0.1866288100000000, 0.0864708300000000 ] - [ -0.0193405600000000, -0.1867688500000000, 0.0862402300000000 ] - [ -0.0167351700000000, -0.1871840100000000, -0.0861321100000000 ] - [ -0.0192977400000000, -0.1867729200000000, -0.0863623400000000 ] - [ -0.0190913400000000, 0.1868420400000000, 0.0859608300000000 ] - [ -0.0195084100000000, 0.1866751300000000, 0.0864976200000000 ] - [ 0.0195756400000000, -0.1866844400000000, 0.0864820500000000 ] - [ 0.0193690000000000, -0.1866639000000000, 0.0864260200000000 ] - [ 0.0194247000000000, 0.1867570700000000, -0.0861884900000000 ] - [ 0.0196159400000000, 0.1867822900000000, -0.0860787900000000 ] - [ -0.0211730400000000, -0.0913014200000000, -0.1362547500000000 ] - [ -0.0358232700000000, -0.0809095300000000, -0.1286897500000000 ] - [ -0.0377131100000000, 0.0863121600000000, 0.1321067600000000 ] - [ -0.0375129100000000, 0.0863177800000000, 0.1323312200000000 ] - [ 0.0376416900000000, -0.0863256200000000, 0.1323811000000000 ] - [ 0.0376140800000000, -0.0858976300000000, 0.1322301100000000 ] - [ 0.0376611500000000, 0.0863182100000000, -0.1323467700000000 ] - [ 0.0376007200000000, 0.0862397100000000, -0.1324254200000000 ] - [ 0.0377335500000000, 0.0864567500000000, 0.1340390300000000 ] - [ 0.0378605600000000, 0.0859168300000000, 0.1330397900000000 ] - [ 0.0378275300000000, -0.0858161300000000, -0.1324671800000000 ] - [ 0.0383015000000000, -0.0861635900000000, -0.1327006900000000 ] - [ -0.0376038300000000, 0.0861531600000000, -0.1321510500000000 ] - [ -0.0376425600000000, 0.0862472000000000, -0.1323783900000000 ] - [ -0.0373131900000000, -0.0861243300000000, 0.1324134100000000 ] - [ -0.0375019200000000, -0.0862285600000000, 0.1325251800000000 ] - [ -0.0156951500000000, 0.0172898800000000, -0.0415883600000000 ] - [ 0.0226260900000000, 0.0176981100000000, -0.0460859100000000 ] - [ 0.0194144700000000, -0.0202164300000000, 0.0450692000000000 ] - [ 0.0195430100000000, -0.0201237900000000, 0.0450945600000000 ] - [ -0.0194125300000000, 0.0200236600000000, 0.0443967500000000 ] - [ -0.0197709100000000, 0.0198894100000000, 0.0446862000000000 ] - [ -0.0194710900000000, -0.0201870400000000, -0.0447683500000000 ] - [ -0.0195169900000000, -0.0203026000000000, -0.0448004800000000 ] - [ -0.0195988800000000, -0.0208721200000000, 0.0452659500000000 ] - [ -0.0200309900000000, -0.0153475400000000, 0.0384863900000000 ] - [ -0.0199851600000000, 0.0197563500000000, -0.0441052500000000 ] - [ -0.0194554400000000, 0.0185362800000000, -0.0433343200000000 ] - [ 0.0197274900000000, -0.0203643900000000, -0.0452046600000000 ] - [ 0.0192894500000000, -0.0200214900000000, -0.0446857800000000 ] - [ 0.0191089000000000, 0.0198942800000000, 0.0444734800000000 ] - [ 0.0192452100000000, 0.0200849900000000, 0.0446416100000000 ] - [ 0.0349587000000000, -0.1835036200000000, 0.0103656400000000 ] - [ 0.0328706000000000, -0.1868681100000000, 0.0146510000000000 ] - [ 0.0325536400000000, 0.1869449800000000, -0.0144178900000000 ] - [ 0.0323831200000000, 0.1867933700000000, -0.0145287800000000 ] - [ -0.0323888200000000, -0.1866976500000000, -0.0143324200000000 ] - [ -0.0324995600000000, -0.1865943200000000, -0.0144392300000000 ] - [ -0.0324918700000000, 0.1867519000000000, 0.0143816500000000 ] - [ -0.0323837000000000, 0.1868211200000000, 0.0143125700000000 ] - [ -0.0325216200000000, 0.1872132600000000, -0.0146352900000000 ] - [ -0.0331505400000000, 0.1850843600000000, -0.0125181100000000 ] - [ -0.0326309600000000, -0.1874689500000000, 0.0137883900000000 ] - [ -0.0330826700000000, -0.1829360800000000, 0.0143028800000000 ] - [ 0.0323117700000000, 0.1869679200000000, 0.0147180900000000 ] - [ 0.0326037200000000, 0.1866496200000000, 0.0143824300000000 ] - [ 0.0326161300000000, -0.1864509900000000, -0.0141906500000000 ] - [ 0.0323406700000000, -0.1867396300000000, -0.0143357700000000 ] - [ -0.0584363100000000, 0.0442714200000000, 0.0660952500000000 ] - [ -0.0588422400000000, 0.0437383900000000, 0.0657670800000000 ] - [ -0.0589168700000000, -0.0443011200000000, -0.0655926900000000 ] - [ -0.0588452100000000, -0.0436122500000000, -0.0657339200000000 ] - [ 0.0588198400000000, 0.0440193300000000, -0.0654044500000000 ] - [ 0.0587660700000000, 0.0439824200000000, -0.0653176900000000 ] - [ 0.0587928300000000, -0.0439272500000000, 0.0655410900000000 ] - [ 0.0587244600000000, -0.0438092600000000, 0.0654609000000000 ] - [ 0.0588209200000000, -0.0439741700000000, -0.0656049300000000 ] - [ 0.0587866600000000, -0.0437356400000000, -0.0656926600000000 ] - [ 0.0615339400000000, 0.0425428000000000, 0.0668284700000000 ] - [ 0.0600292300000000, 0.0446257100000000, 0.0663281900000000 ] - [ -0.0588302600000000, -0.0439040200000000, 0.0655006700000000 ] - [ -0.0588316000000000, -0.0438380500000000, 0.0655197900000000 ] - [ -0.0589616100000000, 0.0437739700000000, -0.0654637400000000 ] - [ -0.0587765400000000, 0.0438474000000000, -0.0655370100000000 ] - [ 0.0588904400000000, -0.0162513000000000, 0.0006291900000000 ] - [ 0.0595988200000000, -0.0184025600000000, 0.0047996800000000 ] - [ 0.0595866700000000, 0.0161275600000000, -0.0013375500000000 ] - [ 0.0595960900000000, 0.0160695200000000, -0.0014270300000000 ] - [ -0.0597368400000000, -0.0165897200000000, -0.0014362100000000 ] - [ -0.0598294700000000, -0.0166908500000000, -0.0016946800000000 ] - [ -0.0596410900000000, 0.0162466800000000, 0.0014737900000000 ] - [ -0.0595303000000000, 0.0162157800000000, 0.0013688700000000 ] - [ -0.0597012200000000, 0.0158753100000000, -0.0014081400000000 ] - [ -0.0590385700000000, 0.0164373900000000, -0.0012761200000000 ] - [ -0.0604835600000000, -0.0181214400000000, 0.0011526400000000 ] - [ -0.0584662900000000, -0.0160087000000000, 0.0008917000000000 ] - [ 0.0596828000000000, 0.0162141300000000, 0.0014084700000000 ] - [ 0.0595353300000000, 0.0161836100000000, 0.0013923200000000 ] - [ 0.0596835400000000, -0.0161578300000000, -0.0013277100000000 ] - [ 0.0596906200000000, -0.0161512500000000, -0.0015604900000000 ] - [ 0.0145501200000000, 0.0236644900000000, -0.0002851700000000 ] - [ 0.0145405500000000, 0.0242260300000000, -0.0007983400000000 ] - [ 0.0141923500000000, -0.0234529400000000, -0.0001519400000000 ] - [ 0.0142220300000000, -0.0234350000000000, -0.0001200700000000 ] - [ -0.0146866600000000, 0.0234007000000000, -0.0019672800000000 ] - [ -0.0142707600000000, 0.0239082800000000, -0.0001008500000000 ] - [ -0.0143488800000000, -0.0232864300000000, -0.0002509900000000 ] - [ -0.0144650400000000, -0.0236368800000000, 0.0000415300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013701100000000, -0.0033896400000000, -0.0020484000000000 ] - [ -0.0016731100000000, 0.0008386500000000, 0.0002277600000000 ] - [ 0.0007905100000000, 0.0000300000000000, 0.0000781900000000 ] - [ 0.0008260000000000, 0.0000395300000000, 0.0000759200000000 ] - [ 0.0007680600000000, 0.0006608300000000, -0.0005347500000000 ] - [ 0.0007349800000000, -0.0002949400000000, -0.0003690700000000 ] - [ -0.0008320700000000, -0.0000145500000000, -0.0000059400000000 ] - [ -0.0008519800000000, -0.0000384100000000, -0.0000281500000000 ] - [ -0.0089719200000000, 0.0072461400000000, 0.0001415400000000 ] - [ -0.0088402400000000, 0.0072959700000000, 0.0001032400000000 ] - [ -0.0087903500000000, -0.0070641000000000, 0.0000463100000000 ] - [ -0.0089367500000000, -0.0070829500000000, 0.0000252000000000 ] - [ 0.0083621000000000, 0.0066607700000000, 0.0008396700000000 ] - [ 0.0089675600000000, 0.0069989400000000, -0.0003841300000000 ] - [ 0.0088675200000000, -0.0071155200000000, -0.0000084400000000 ] - [ 0.0088516700000000, -0.0071532100000000, 0.0000326000000000 ] - [ 0.0185652500000000, 0.1845150600000000, 0.0850832400000000 ] - [ 0.0166391200000000, 0.1912296500000000, 0.0874456300000000 ] - [ 0.0191731100000000, -0.1869918900000000, -0.0859288900000000 ] - [ 0.0194052000000000, -0.1870383100000000, -0.0860421700000000 ] - [ -0.0196863800000000, 0.1863425900000000, -0.0867859100000000 ] - [ -0.0193798500000000, 0.1868680000000000, -0.0861356400000000 ] - [ -0.0193193300000000, -0.1869427500000000, 0.0859839000000000 ] - [ -0.0193937500000000, -0.1868059900000000, 0.0862115300000000 ] - [ -0.0219807100000000, -0.1864219900000000, -0.0862513700000000 ] - [ -0.0194414600000000, -0.1868068800000000, -0.0860833600000000 ] - [ -0.0196445300000000, 0.1867277000000000, 0.0864839500000000 ] - [ -0.0192206700000000, 0.1868949200000000, 0.0859424600000000 ] - [ 0.0191569500000000, -0.1868876100000000, 0.0859707200000000 ] - [ 0.0193647400000000, -0.1869098300000000, 0.0860273000000000 ] - [ 0.0193060200000000, 0.1868151900000000, -0.0862521100000000 ] - [ 0.0191151000000000, 0.1867896800000000, -0.0863631400000000 ] - [ -0.0531651300000000, -0.0814303900000000, -0.1287208700000000 ] - [ -0.0394368100000000, -0.0915589700000000, -0.1360152900000000 ] - [ -0.0375264200000000, 0.0861553800000000, 0.1325942300000000 ] - [ -0.0377282200000000, 0.0861500100000000, 0.1323671300000000 ] - [ 0.0375965200000000, -0.0861367800000000, 0.1323131900000000 ] - [ 0.0376269600000000, -0.0865656900000000, 0.1324657700000000 ] - [ 0.0375781700000000, 0.0861465100000000, -0.1323531300000000 ] - [ 0.0376391500000000, 0.0862262300000000, -0.1322739200000000 ] - [ 0.0375010600000000, 0.0860077300000000, 0.1306676200000000 ] - [ 0.0373846600000000, 0.0865472900000000, 0.1316570400000000 ] - [ 0.0374093900000000, -0.0866492500000000, -0.1322232500000000 ] - [ 0.0369339800000000, -0.0862930100000000, -0.1319860400000000 ] - [ -0.0376342600000000, 0.0863091400000000, -0.1325483700000000 ] - [ -0.0375969800000000, 0.0862183200000000, -0.1323211900000000 ] - [ -0.0379255600000000, -0.0863373600000000, 0.1322812100000000 ] - [ -0.0377385000000000, -0.0862325600000000, 0.1321691400000000 ] - [ 0.0541742900000000, 0.0232357500000000, -0.0475731300000000 ] - [ 0.0162788900000000, 0.0225624100000000, -0.0433160700000000 ] - [ 0.0195532900000000, -0.0200210800000000, 0.0443363500000000 ] - [ 0.0194228000000000, -0.0201161700000000, 0.0443076400000000 ] - [ -0.0195502000000000, 0.0202124600000000, 0.0450090900000000 ] - [ -0.0191927400000000, 0.0203475800000000, 0.0447208700000000 ] - [ -0.0194956600000000, -0.0200530500000000, -0.0446378300000000 ] - [ -0.0194485300000000, -0.0199350400000000, -0.0446040900000000 ] - [ -0.0193649400000000, -0.0193681900000000, 0.0441307000000000 ] - [ -0.0189460100000000, -0.0249358200000000, 0.0509919300000000 ] - [ -0.0189752200000000, 0.0204905200000000, -0.0453135300000000 ] - [ -0.0195011800000000, 0.0217138000000000, -0.0460891400000000 ] - [ 0.0192406700000000, -0.0198750500000000, -0.0442016600000000 ] - [ 0.0196797500000000, -0.0202187400000000, -0.0447184700000000 ] - [ 0.0198540700000000, 0.0203396600000000, 0.0449331400000000 ] - [ 0.0197210200000000, 0.0201536100000000, 0.0447652900000000 ] - [ 0.0300072900000000, -0.1899161500000000, 0.0183547100000000 ] - [ 0.0321143700000000, -0.1865732100000000, 0.0140754000000000 ] - [ 0.0324363900000000, 0.1865085500000000, -0.0142987400000000 ] - [ 0.0326064100000000, 0.1866576400000000, -0.0141864100000000 ] - [ -0.0325957400000000, -0.1867448600000000, -0.0143932300000000 ] - [ -0.0324859900000000, -0.1868510700000000, -0.0142841400000000 ] - [ -0.0324962300000000, 0.1867007500000000, 0.0143372200000000 ] - [ -0.0326059900000000, 0.1866302600000000, 0.0144052000000000 ] - [ -0.0324686500000000, 0.1862384500000000, -0.0140809100000000 ] - [ -0.0318321500000000, 0.1883805700000000, -0.0162192900000000 ] - [ -0.0323490100000000, -0.1859789400000000, 0.0149373600000000 ] - [ -0.0318484900000000, -0.1905302800000000, 0.0144310100000000 ] - [ 0.0326774400000000, 0.1864859900000000, 0.0140003600000000 ] - [ 0.0323832000000000, 0.1868041500000000, 0.0143366400000000 ] - [ 0.0323728600000000, -0.1869901500000000, -0.0145302800000000 ] - [ 0.0326435600000000, -0.1867038500000000, -0.0143933500000000 ] - [ -0.0591719300000000, 0.0435211100000000, 0.0648943500000000 ] - [ -0.0587722100000000, 0.0440648900000000, 0.0652220100000000 ] - [ -0.0586889500000000, -0.0435116500000000, -0.0654059900000000 ] - [ -0.0587623800000000, -0.0441984400000000, -0.0652602700000000 ] - [ 0.0587933500000000, 0.0437778600000000, -0.0655873600000000 ] - [ 0.0588489000000000, 0.0438169600000000, -0.0656735000000000 ] - [ 0.0588139500000000, -0.0438846200000000, 0.0654545300000000 ] - [ 0.0588835700000000, -0.0440029400000000, 0.0655351300000000 ] - [ 0.0587867800000000, -0.0438374500000000, -0.0653913600000000 ] - [ 0.0588211800000000, -0.0440761900000000, -0.0652991900000000 ] - [ 0.0561497600000000, 0.0452616300000000, 0.0641234000000000 ] - [ 0.0575021300000000, 0.0430778700000000, 0.0646063300000000 ] - [ -0.0587768500000000, -0.0439081000000000, 0.0654945000000000 ] - [ -0.0587758600000000, -0.0439740500000000, 0.0654755600000000 ] - [ -0.0586508200000000, 0.0440273000000000, -0.0655272000000000 ] - [ -0.0588364000000000, 0.0439495400000000, -0.0654541000000000 ] - [ 0.0603645800000000, -0.0163778900000000, 0.0022413900000000 ] - [ 0.0596553000000000, -0.0141949800000000, -0.0019427000000000 ] - [ 0.0596727600000000, 0.0165110300000000, -0.0015482000000000 ] - [ 0.0596595000000000, 0.0165692200000000, -0.0014560000000000 ] - [ -0.0595310300000000, -0.0160394500000000, -0.0014481800000000 ] - [ -0.0594351400000000, -0.0159323100000000, -0.0011823600000000 ] - [ -0.0596182000000000, 0.0163879700000000, 0.0014053600000000 ] - [ -0.0597295700000000, 0.0164213200000000, 0.0015146200000000 ] - [ -0.0595669800000000, 0.0167883500000000, -0.0014930900000000 ] - [ -0.0602261500000000, 0.0162000000000000, -0.0016084600000000 ] - [ -0.0587810400000000, -0.0145082000000000, 0.0017310900000000 ] - [ -0.0608514100000000, -0.0165922500000000, 0.0020293900000000 ] - [ 0.0595775600000000, 0.0164239500000000, 0.0014771300000000 ] - [ 0.0597245300000000, 0.0164520500000000, 0.0014912500000000 ] - [ 0.0595827400000000, -0.0164656600000000, -0.0015497900000000 ] - [ 0.0595752000000000, -0.0164738600000000, -0.0013207500000000 ] - [ 0.0139975900000000, 0.0234843600000000, 0.0002826600000000 ] - [ 0.0140022700000000, 0.0229119900000000, 0.0007961200000000 ] - [ 0.0143407200000000, -0.0237133000000000, 0.0001493900000000 ] - [ 0.0143140300000000, -0.0237272200000000, 0.0001204700000000 ] - [ -0.0138549800000000, 0.0237459500000000, 0.0019786300000000 ] - [ -0.0142745800000000, 0.0232373100000000, 0.0001012800000000 ] - [ -0.0141812600000000, -0.0238882300000000, 0.0002615400000000 ] - [ -0.0140688900000000, -0.0235260800000000, -0.0000412100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029946100000000, 0.0070735300000000, 0.0043026900000000 ] - [ -0.0010789100000000, 0.0002346400000000, 0.0003574600000000 ] - [ 0.0007871500000000, -0.0000343900000000, -0.0000560500000000 ] - [ 0.0007894700000000, -0.0000180700000000, -0.0000604800000000 ] - [ 0.0004493700000000, 0.0005670600000000, 0.0000431700000000 ] - [ 0.0010065900000000, 0.0001664400000000, 0.0002429900000000 ] - [ -0.0008069900000000, 0.0000406500000000, -0.0001056700000000 ] - [ -0.0007987500000000, 0.0000054400000000, -0.0000390700000000 ] - [ -0.0086216900000000, 0.0072558200000000, -0.0001544700000000 ] - [ -0.0088680100000000, 0.0071555600000000, -0.0000236400000000 ] - [ -0.0087215600000000, -0.0071402700000000, -0.0004377300000000 ] - [ -0.0088735400000000, -0.0070460600000000, -0.0000860500000000 ] - [ 0.0087002800000000, 0.0069019600000000, 0.0003229900000000 ] - [ 0.0084627100000000, 0.0065167800000000, -0.0002512300000000 ] - [ 0.0087633800000000, -0.0071338000000000, 0.0000007300000000 ] - [ 0.0089027000000000, -0.0070651800000000, -0.0000401000000000 ] - [ 0.0212359400000000, 0.1848870100000000, 0.0849950200000000 ] - [ 0.0171345200000000, 0.1933578300000000, 0.0886079500000000 ] - [ 0.0194505900000000, -0.1868681600000000, -0.0863184300000000 ] - [ 0.0191654100000000, -0.1866665100000000, -0.0861672100000000 ] - [ -0.0194800400000000, 0.1866404400000000, -0.0862882300000000 ] - [ -0.0193455100000000, 0.1867742300000000, -0.0861840300000000 ] - [ -0.0194357200000000, -0.1861204000000000, 0.0872662800000000 ] - [ -0.0193552500000000, -0.1867672800000000, 0.0862875600000000 ] - [ -0.0206409400000000, -0.1811681600000000, -0.0884849800000000 ] - [ -0.0189190500000000, -0.1870618700000000, -0.0861176900000000 ] - [ -0.0198243300000000, 0.1868515500000000, 0.0859312900000000 ] - [ -0.0193116300000000, 0.1867962600000000, 0.0859028100000000 ] - [ 0.0196986000000000, -0.1864908100000000, 0.0868583000000000 ] - [ 0.0193339900000000, -0.1867035100000000, 0.0863483300000000 ] - [ 0.0193885200000000, 0.1868630100000000, -0.0860020100000000 ] - [ 0.0192708100000000, 0.1869018600000000, -0.0861564100000000 ] - [ -0.0410167100000000, -0.0791295500000000, -0.1294436700000000 ] - [ -0.0360129200000000, -0.0892213300000000, -0.1341989800000000 ] - [ -0.0379395200000000, 0.0866305200000000, 0.1325616600000000 ] - [ -0.0377154600000000, 0.0863210400000000, 0.1324171800000000 ] - [ 0.0376031200000000, -0.0861208600000000, 0.1323185000000000 ] - [ 0.0374641900000000, -0.0861729900000000, 0.1323407100000000 ] - [ 0.0377451700000000, 0.0863569200000000, -0.1324185900000000 ] - [ 0.0376921800000000, 0.0862539500000000, -0.1323243400000000 ] - [ 0.0374479300000000, 0.0856611200000000, 0.1334033200000000 ] - [ 0.0362612100000000, 0.0866408100000000, 0.1323211900000000 ] - [ 0.0376342200000000, -0.0860075300000000, -0.1322848500000000 ] - [ 0.0369462100000000, -0.0856508600000000, -0.1330785900000000 ] - [ -0.0376247300000000, 0.0860024600000000, -0.1319706100000000 ] - [ -0.0376109700000000, 0.0862619400000000, -0.1322934800000000 ] - [ -0.0376793600000000, -0.0861540500000000, 0.1323074100000000 ] - [ -0.0376518500000000, -0.0862484300000000, 0.1324094500000000 ] - [ 0.0164369200000000, -0.0241337500000000, -0.0454999700000000 ] - [ 0.0170411000000000, 0.0217739400000000, -0.0437234700000000 ] - [ 0.0195759500000000, -0.0204203000000000, 0.0451108300000000 ] - [ 0.0194813200000000, -0.0205216200000000, 0.0450803600000000 ] - [ -0.0193837300000000, 0.0197142400000000, 0.0441450100000000 ] - [ -0.0192499700000000, 0.0198807100000000, 0.0445514500000000 ] - [ -0.0195469800000000, -0.0202872500000000, -0.0449536600000000 ] - [ -0.0196611300000000, -0.0201529700000000, -0.0449265000000000 ] - [ -0.0202259800000000, -0.0196773700000000, 0.0447445800000000 ] - [ -0.0146908700000000, -0.0230600700000000, 0.0465149600000000 ] - [ -0.0191120500000000, 0.0196507900000000, -0.0446526900000000 ] - [ -0.0178905100000000, 0.0183196600000000, -0.0431893700000000 ] - [ 0.0197261000000000, -0.0200755500000000, -0.0447439800000000 ] - [ 0.0193822200000000, -0.0200950700000000, -0.0446952800000000 ] - [ 0.0192555100000000, 0.0188796200000000, 0.0440850000000000 ] - [ 0.0194452100000000, 0.0200956700000000, 0.0445886000000000 ] - [ 0.0332910400000000, -0.1773436600000000, 0.0041552200000000 ] - [ 0.0324940200000000, -0.1864073900000000, 0.0143313800000000 ] - [ 0.0323928200000000, 0.1868969700000000, -0.0145970600000000 ] - [ 0.0325302800000000, 0.1869269800000000, -0.0144944900000000 ] - [ -0.0327014200000000, -0.1864472200000000, -0.0141240800000000 ] - [ -0.0325403800000000, -0.1866513300000000, -0.0144557700000000 ] - [ -0.0323642300000000, 0.1868320800000000, 0.0144057700000000 ] - [ -0.0325068300000000, 0.1867976500000000, 0.0144912900000000 ] - [ -0.0327828200000000, 0.1868155700000000, -0.0146216600000000 ] - [ -0.0326802000000000, 0.1873391000000000, -0.0151601500000000 ] - [ -0.0316668600000000, -0.1863222800000000, 0.0147218300000000 ] - [ -0.0304053800000000, -0.1816565200000000, 0.0162901400000000 ] - [ 0.0324373500000000, 0.1866083200000000, 0.0142911200000000 ] - [ 0.0324826300000000, 0.1867345600000000, 0.0144063200000000 ] - [ 0.0332491100000000, -0.1859874600000000, -0.0144135600000000 ] - [ 0.0326091700000000, -0.1866700900000000, -0.0141936300000000 ] - [ -0.0604246700000000, 0.0482865800000000, 0.0652963800000000 ] - [ -0.0595299300000000, 0.0437700000000000, 0.0650574700000000 ] - [ -0.0583743000000000, -0.0441507000000000, -0.0656865900000000 ] - [ -0.0590369300000000, -0.0440287400000000, -0.0652815200000000 ] - [ 0.0588596400000000, 0.0438984800000000, -0.0654634000000000 ] - [ 0.0588312900000000, 0.0439189700000000, -0.0654441900000000 ] - [ 0.0587484400000000, -0.0438878600000000, 0.0655476200000000 ] - [ 0.0588889900000000, -0.0438960600000000, 0.0655017500000000 ] - [ 0.0588547500000000, -0.0438937400000000, -0.0654481500000000 ] - [ 0.0588059900000000, -0.0437974500000000, -0.0652666600000000 ] - [ 0.0572460400000000, 0.0447084300000000, 0.0656053800000000 ] - [ 0.0594147500000000, 0.0436594500000000, 0.0648066200000000 ] - [ -0.0587825000000000, -0.0438017000000000, 0.0655304000000000 ] - [ -0.0588384000000000, -0.0438370400000000, 0.0655400000000000 ] - [ -0.0591455100000000, 0.0441822300000000, -0.0654514900000000 ] - [ -0.0588873700000000, 0.0439791600000000, -0.0654166800000000 ] - [ 0.0630356900000000, -0.0155857700000000, 0.0023823600000000 ] - [ 0.0590178900000000, -0.0165935400000000, 0.0009676500000000 ] - [ 0.0600253700000000, 0.0165583100000000, -0.0011491200000000 ] - [ 0.0596308500000000, 0.0163087900000000, -0.0013146400000000 ] - [ -0.0595663300000000, -0.0163876400000000, -0.0015316900000000 ] - [ -0.0596652600000000, -0.0162642700000000, -0.0014050700000000 ] - [ -0.0595620700000000, 0.0159440500000000, 0.0009933800000000 ] - [ -0.0596570200000000, 0.0162556200000000, 0.0014469200000000 ] - [ -0.0601425700000000, 0.0171742500000000, -0.0015946900000000 ] - [ -0.0595372700000000, 0.0163118300000000, -0.0015690600000000 ] - [ -0.0603609700000000, -0.0133849700000000, 0.0030587600000000 ] - [ -0.0595126200000000, -0.0164550900000000, 0.0011641000000000 ] - [ 0.0594509800000000, 0.0161285900000000, 0.0013078600000000 ] - [ 0.0595685800000000, 0.0161409800000000, 0.0014051400000000 ] - [ 0.0598680100000000, -0.0166346900000000, -0.0016931000000000 ] - [ 0.0595976100000000, -0.0165854700000000, -0.0017801000000000 ] - [ 0.0135867700000000, 0.0234007100000000, 0.0001979700000000 ] - [ 0.0144825600000000, 0.0237475400000000, 0.0002317000000000 ] - [ 0.0141141800000000, -0.0234563100000000, -0.0006124000000000 ] - [ 0.0142382500000000, -0.0234193700000000, -0.0000554600000000 ] - [ -0.0140317300000000, 0.0238331900000000, 0.0006222600000000 ] - [ -0.0142505300000000, 0.0236397300000000, 0.0000024900000000 ] - [ -0.0141202400000000, -0.0236885900000000, -0.0005002800000000 ] - [ -0.0142572600000000, -0.0235826200000000, -0.0000308500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045027500000000, -0.0068826400000000, -0.0041980600000000 ] - [ -0.0005283600000000, -0.0002357000000000, -0.0003591700000000 ] - [ 0.0008173100000000, 0.0000345900000000, 0.0000558200000000 ] - [ 0.0008163700000000, 0.0000178600000000, 0.0000609900000000 ] - [ 0.0011572800000000, -0.0005665200000000, -0.0000439800000000 ] - [ 0.0005974300000000, -0.0001696100000000, -0.0002453400000000 ] - [ -0.0007985900000000, -0.0000418500000000, 0.0001066000000000 ] - [ -0.0008063600000000, -0.0000043800000000, 0.0000396700000000 ] - [ -0.0090942200000000, 0.0069207100000000, 0.0001571000000000 ] - [ -0.0088449900000000, 0.0070241300000000, 0.0000230300000000 ] - [ -0.0089915800000000, -0.0070398400000000, 0.0004402100000000 ] - [ -0.0088393300000000, -0.0071336800000000, 0.0000870200000000 ] - [ 0.0090136600000000, 0.0072776900000000, -0.0003230200000000 ] - [ 0.0092478300000000, 0.0076649800000000, 0.0002453900000000 ] - [ 0.0089480300000000, -0.0070447800000000, -0.0000003500000000 ] - [ 0.0088109500000000, -0.0071133500000000, 0.0000403000000000 ] - [ 0.0175080200000000, 0.1886670200000000, 0.0874361900000000 ] - [ 0.0215178000000000, 0.1802200100000000, 0.0838479400000000 ] - [ 0.0192907200000000, -0.1867032500000000, -0.0861326400000000 ] - [ 0.0195761100000000, -0.1869041400000000, -0.0862869700000000 ] - [ -0.0192611100000000, 0.1869303700000000, -0.0861581800000000 ] - [ -0.0193938800000000, 0.1867972700000000, -0.0862636600000000 ] - [ -0.0193049700000000, -0.1874529800000000, 0.0851795000000000 ] - [ -0.0193847100000000, -0.1868029500000000, 0.0861610500000000 ] - [ -0.0180826400000000, -0.1925353000000000, -0.0838121500000000 ] - [ -0.0198249800000000, -0.1865038700000000, -0.0863301200000000 ] - [ -0.0189125500000000, 0.1867222700000000, 0.0865143200000000 ] - [ -0.0194255800000000, 0.1867797900000000, 0.0865448400000000 ] - [ 0.0190371600000000, -0.1870798600000000, 0.0855881200000000 ] - [ 0.0194045500000000, -0.1868667500000000, 0.0861008500000000 ] - [ 0.0193498700000000, 0.1867074000000000, -0.0864465100000000 ] - [ 0.0194721200000000, 0.1866679500000000, -0.0862910000000000 ] - [ -0.0340958000000000, -0.0933323000000000, -0.1352671400000000 ] - [ -0.0392172300000000, -0.0832331800000000, -0.1304955000000000 ] - [ -0.0373089800000000, 0.0858356700000000, 0.1321330900000000 ] - [ -0.0375315300000000, 0.0861449100000000, 0.1322812200000000 ] - [ 0.0376485700000000, -0.0863443800000000, 0.1323734800000000 ] - [ 0.0377888500000000, -0.0862909500000000, 0.1323498700000000 ] - [ 0.0375048100000000, 0.0861053800000000, -0.1322727600000000 ] - [ 0.0375580400000000, 0.0862109200000000, -0.1323685100000000 ] - [ 0.0378010100000000, 0.0868151500000000, 0.1312611000000000 ] - [ 0.0389882000000000, 0.0858232200000000, 0.1323736100000000 ] - [ 0.0376129600000000, -0.0864587900000000, -0.1324081000000000 ] - [ 0.0382985900000000, -0.0868224300000000, -0.1316080000000000 ] - [ -0.0376254500000000, 0.0864579800000000, -0.1327214200000000 ] - [ -0.0376402900000000, 0.0862023700000000, -0.1323992300000000 ] - [ -0.0375728500000000, -0.0863114900000000, 0.1323837200000000 ] - [ -0.0375987400000000, -0.0862156800000000, 0.1322823600000000 ] - [ 0.0223963300000000, 0.0640705000000000, -0.0436324200000000 ] - [ 0.0219094000000000, 0.0184815500000000, -0.0456851400000000 ] - [ 0.0193828000000000, -0.0198249200000000, 0.0442992300000000 ] - [ 0.0194751100000000, -0.0197186600000000, 0.0443250100000000 ] - [ -0.0195773300000000, 0.0205264300000000, 0.0452694900000000 ] - [ -0.0197127900000000, 0.0203643800000000, 0.0448611800000000 ] - [ -0.0194148400000000, -0.0199544200000000, -0.0444570800000000 ] - [ -0.0192960700000000, -0.0200904800000000, -0.0444839400000000 ] - [ -0.0187244400000000, -0.0205720000000000, 0.0446691800000000 ] - [ -0.0242817900000000, -0.0171774700000000, 0.0428889400000000 ] - [ -0.0198503800000000, 0.0205876900000000, -0.0447553600000000 ] - [ -0.0210719900000000, 0.0219303200000000, -0.0462238700000000 ] - [ 0.0192385700000000, -0.0201677400000000, -0.0446677000000000 ] - [ 0.0195813600000000, -0.0201477800000000, -0.0447164100000000 ] - [ 0.0197052900000000, 0.0213677200000000, 0.0453267600000000 ] - [ 0.0195178700000000, 0.0201449600000000, 0.0448241500000000 ] - [ 0.0318023300000000, -0.1957995400000000, 0.0241852400000000 ] - [ 0.0324898000000000, -0.1870398600000000, 0.0143984100000000 ] - [ 0.0325973100000000, 0.1865543100000000, -0.0141253700000000 ] - [ 0.0324585000000000, 0.1865213200000000, -0.0142280100000000 ] - [ -0.0322872400000000, -0.1870021200000000, -0.0146002700000000 ] - [ -0.0324488300000000, -0.1867997900000000, -0.0142669400000000 ] - [ -0.0326259300000000, 0.1866178100000000, 0.0143170700000000 ] - [ -0.0324826600000000, 0.1866529000000000, 0.0142302200000000 ] - [ -0.0322045600000000, 0.1866352800000000, -0.0141001200000000 ] - [ -0.0323110100000000, 0.1861070100000000, -0.0135601100000000 ] - [ -0.0333321100000000, -0.1871160800000000, 0.0140046500000000 ] - [ -0.0346189200000000, -0.1918441400000000, 0.0123998400000000 ] - [ 0.0325521900000000, 0.1868447300000000, 0.0144337300000000 ] - [ 0.0325067700000000, 0.1867167300000000, 0.0143175300000000 ] - [ 0.0317351200000000, -0.1874652700000000, -0.0143020600000000 ] - [ 0.0323776500000000, -0.1867796800000000, -0.0145316800000000 ] - [ -0.0572114800000000, 0.0396002700000000, 0.0656776900000000 ] - [ -0.0580757100000000, 0.0440299400000000, 0.0659424600000000 ] - [ -0.0592434400000000, -0.0436510300000000, -0.0653087200000000 ] - [ -0.0585766000000000, -0.0437780700000000, -0.0657163400000000 ] - [ 0.0587594600000000, 0.0439066600000000, -0.0655316000000000 ] - [ 0.0587884400000000, 0.0438861300000000, -0.0655520300000000 ] - [ 0.0588676400000000, -0.0439192700000000, 0.0654502100000000 ] - [ 0.0587279800000000, -0.0439107000000000, 0.0654960700000000 ] - [ 0.0587627000000000, -0.0439133400000000, -0.0655507900000000 ] - [ 0.0588090300000000, -0.0440077700000000, -0.0657322600000000 ] - [ 0.0603291000000000, 0.0431274100000000, 0.0653947500000000 ] - [ 0.0581432900000000, 0.0440651000000000, 0.0661747600000000 ] - [ -0.0588346000000000, -0.0440060400000000, 0.0654673600000000 ] - [ -0.0587782800000000, -0.0439706000000000, 0.0654563400000000 ] - [ -0.0584696400000000, 0.0436234400000000, -0.0655477700000000 ] - [ -0.0587293500000000, 0.0438256700000000, -0.0655797200000000 ] - [ 0.0561917900000000, -0.0170387100000000, 0.0004755300000000 ] - [ 0.0602523100000000, -0.0160379000000000, 0.0019207900000000 ] - [ 0.0592271100000000, 0.0160685100000000, -0.0017323500000000 ] - [ 0.0596227100000000, 0.0163166000000000, -0.0015636900000000 ] - [ -0.0596891000000000, -0.0162370600000000, -0.0013464600000000 ] - [ -0.0595895800000000, -0.0163574600000000, -0.0014707800000000 ] - [ -0.0596931800000000, 0.0166856400000000, 0.0018817900000000 ] - [ -0.0595957700000000, 0.0163696000000000, 0.0014296100000000 ] - [ -0.0591251400000000, 0.0154815000000000, -0.0012970700000000 ] - [ -0.0597164400000000, 0.0163154200000000, -0.0013049100000000 ] - [ -0.0588808400000000, -0.0193116500000000, -0.0002215800000000 ] - [ -0.0597200000000000, -0.0161803900000000, 0.0017077200000000 ] - [ 0.0598047000000000, 0.0165017700000000, 0.0015752000000000 ] - [ 0.0596843400000000, 0.0164831700000000, 0.0014720500000000 ] - [ 0.0593841900000000, -0.0159835200000000, -0.0011775100000000 ] - [ 0.0596566700000000, -0.0160392500000000, -0.0010959200000000 ] - [ 0.0149665500000000, 0.0237468600000000, -0.0002014700000000 ] - [ 0.0140602900000000, 0.0233997900000000, -0.0002360400000000 ] - [ 0.0144279300000000, -0.0236972000000000, 0.0006125100000000 ] - [ 0.0143045000000000, -0.0237286200000000, 0.0000574900000000 ] - [ -0.0145128700000000, 0.0233169300000000, -0.0006181900000000 ] - [ -0.0142935100000000, 0.0235038400000000, -0.0000025900000000 ] - [ -0.0144137200000000, -0.0234800700000000, 0.0005152000000000 ] - [ -0.0142857500000000, -0.0235662700000000, 0.0000305500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007558600000000, 0.0040838000000000, 0.0003310100000000 ] - [ -0.0009208800000000, 0.0002984400000000, -0.0001711700000000 ] - [ 0.0008559900000000, 0.0000861400000000, 0.0001673200000000 ] - [ 0.0007843100000000, 0.0000215600000000, 0.0000798500000000 ] - [ 0.0013228100000000, -0.0002393900000000, -0.0003886400000000 ] - [ 0.0006420000000000, -0.0001953400000000, -0.0003803700000000 ] - [ -0.0007852600000000, -0.0000180500000000, 0.0000893900000000 ] - [ -0.0008331200000000, -0.0000071300000000, 0.0000650500000000 ] - [ -0.0087625500000000, 0.0067905400000000, 0.0003496100000000 ] - [ -0.0089535400000000, 0.0070319500000000, 0.0001147500000000 ] - [ -0.0089115900000000, -0.0068998600000000, 0.0004018500000000 ] - [ -0.0088925000000000, -0.0071752800000000, 0.0000669400000000 ] - [ 0.0088843000000000, 0.0072664500000000, 0.0000823900000000 ] - [ 0.0091215900000000, 0.0074013800000000, 0.0002914600000000 ] - [ 0.0090913800000000, -0.0070758000000000, -0.0000099200000000 ] - [ 0.0087331600000000, -0.0071753000000000, 0.0000016800000000 ] - [ 0.0202867200000000, 0.1851599900000000, 0.0850146800000000 ] - [ 0.0200548000000000, 0.1884869800000000, 0.0901326300000000 ] - [ 0.0194454500000000, -0.1865637700000000, -0.0859500100000000 ] - [ 0.0194647700000000, -0.1866346100000000, -0.0863743900000000 ] - [ -0.0193811600000000, 0.1866788200000000, -0.0864573800000000 ] - [ -0.0193198200000000, 0.1867871900000000, -0.0862031300000000 ] - [ -0.0192337700000000, -0.1872001100000000, 0.0853786600000000 ] - [ -0.0194239600000000, -0.1868059200000000, 0.0861979100000000 ] - [ -0.0181014000000000, -0.1883056900000000, -0.0837166700000000 ] - [ -0.0196628000000000, -0.1867332700000000, -0.0857588500000000 ] - [ -0.0190187700000000, 0.1867401700000000, 0.0860679600000000 ] - [ -0.0193452000000000, 0.1867681700000000, 0.0865677200000000 ] - [ 0.0193081700000000, -0.1870589800000000, 0.0857802400000000 ] - [ 0.0195044000000000, -0.1868436900000000, 0.0861179100000000 ] - [ 0.0194656600000000, 0.1866208100000000, -0.0865126400000000 ] - [ 0.0192915900000000, 0.1867040500000000, -0.0864719100000000 ] - [ -0.0432694300000000, -0.0823442800000000, -0.1256574700000000 ] - [ -0.0359496500000000, -0.0882353400000000, -0.1334961200000000 ] - [ -0.0370479500000000, 0.0856582300000000, 0.1322259600000000 ] - [ -0.0374905000000000, 0.0860212200000000, 0.1326087000000000 ] - [ 0.0377068500000000, -0.0862959800000000, 0.1323786000000000 ] - [ 0.0377007100000000, -0.0864172100000000, 0.1323718400000000 ] - [ 0.0375518700000000, 0.0861463000000000, -0.1323426600000000 ] - [ 0.0376481400000000, 0.0861733400000000, -0.1323132300000000 ] - [ 0.0395183600000000, 0.0874532900000000, 0.1352899800000000 ] - [ 0.0393101500000000, 0.0855521200000000, 0.1317583400000000 ] - [ 0.0377032700000000, -0.0866001200000000, -0.1324792000000000 ] - [ 0.0388444500000000, -0.0858248500000000, -0.1314482900000000 ] - [ -0.0377367900000000, 0.0867652000000000, -0.1329804100000000 ] - [ -0.0376025400000000, 0.0862209000000000, -0.1323747900000000 ] - [ -0.0377379800000000, -0.0862187000000000, 0.1323035800000000 ] - [ -0.0376165300000000, -0.0862257600000000, 0.1323223600000000 ] - [ 0.0223776800000000, 0.0190217100000000, -0.0818009200000000 ] - [ 0.0181014900000000, 0.0211023800000000, -0.0441432100000000 ] - [ 0.0191172800000000, -0.0197146700000000, 0.0440585800000000 ] - [ 0.0190912900000000, -0.0197426700000000, 0.0440375700000000 ] - [ -0.0197932800000000, 0.0206839100000000, 0.0450869200000000 ] - [ -0.0195047400000000, 0.0202786000000000, 0.0448782200000000 ] - [ -0.0194198300000000, -0.0198724700000000, -0.0443004900000000 ] - [ -0.0193833800000000, -0.0199009900000000, -0.0444020400000000 ] - [ -0.0189185800000000, -0.0200831800000000, 0.0438494800000000 ] - [ -0.0257648400000000, -0.0183039200000000, 0.0463986100000000 ] - [ -0.0200916300000000, 0.0201722300000000, -0.0452744200000000 ] - [ -0.0208651600000000, 0.0216301600000000, -0.0446828000000000 ] - [ 0.0189847800000000, -0.0200838100000000, -0.0444347500000000 ] - [ 0.0195010100000000, -0.0201311200000000, -0.0446303600000000 ] - [ 0.0197175500000000, 0.0207504700000000, 0.0454821800000000 ] - [ 0.0195475900000000, 0.0202401700000000, 0.0447322200000000 ] - [ 0.0314209700000000, -0.1954634900000000, 0.0335300600000000 ] - [ 0.0319121400000000, -0.1872595600000000, 0.0142610600000000 ] - [ 0.0326827800000000, 0.1865013100000000, -0.0140997400000000 ] - [ 0.0325838300000000, 0.1865674400000000, -0.0140629400000000 ] - [ -0.0322709300000000, -0.1870699200000000, -0.0144425100000000 ] - [ -0.0325005700000000, -0.1868545200000000, -0.0144775700000000 ] - [ -0.0325708800000000, 0.1866055800000000, 0.0142485800000000 ] - [ -0.0326167400000000, 0.1865970600000000, 0.0141286600000000 ] - [ -0.0324048900000000, 0.1864507500000000, -0.0138360000000000 ] - [ -0.0319620700000000, 0.1872720800000000, -0.0145260700000000 ] - [ -0.0322737000000000, -0.1867567500000000, 0.0147682900000000 ] - [ -0.0304624100000000, -0.1847692300000000, 0.0140663500000000 ] - [ 0.0326781100000000, 0.1866317300000000, 0.0142000300000000 ] - [ 0.0324724900000000, 0.1867095200000000, 0.0142738300000000 ] - [ 0.0322138500000000, -0.1870728600000000, -0.0139977400000000 ] - [ 0.0324278400000000, -0.1867408500000000, -0.0144094500000000 ] - [ -0.0568562600000000, 0.0419495600000000, 0.0623064900000000 ] - [ -0.0584258700000000, 0.0444548100000000, 0.0656669400000000 ] - [ -0.0588069400000000, -0.0437863600000000, -0.0653707000000000 ] - [ -0.0584958700000000, -0.0439423800000000, -0.0658614800000000 ] - [ 0.0587860600000000, 0.0438120100000000, -0.0655806800000000 ] - [ 0.0589251600000000, 0.0439114800000000, -0.0654902800000000 ] - [ 0.0589024300000000, -0.0439351600000000, 0.0654355500000000 ] - [ 0.0587275500000000, -0.0440209200000000, 0.0654999200000000 ] - [ 0.0588545300000000, -0.0439233400000000, -0.0654392300000000 ] - [ 0.0590080800000000, -0.0444425100000000, -0.0657231200000000 ] - [ 0.0575360700000000, 0.0451172700000000, 0.0659597000000000 ] - [ 0.0600440900000000, 0.0436138200000000, 0.0688043500000000 ] - [ -0.0588453000000000, -0.0440031300000000, 0.0654684400000000 ] - [ -0.0588131400000000, -0.0439181400000000, 0.0654857400000000 ] - [ -0.0585760400000000, 0.0436863500000000, -0.0655840200000000 ] - [ -0.0587701300000000, 0.0437114000000000, -0.0656842500000000 ] - [ 0.0553184500000000, -0.0175765100000000, 0.0007023400000000 ] - [ 0.0608047100000000, -0.0150885700000000, 0.0008287600000000 ] - [ 0.0588732300000000, 0.0156848300000000, -0.0018598200000000 ] - [ 0.0596390500000000, 0.0165777100000000, -0.0016121000000000 ] - [ -0.0594019500000000, -0.0162481900000000, -0.0014777500000000 ] - [ -0.0595828500000000, -0.0160575300000000, -0.0013524300000000 ] - [ -0.0597129100000000, 0.0165707200000000, 0.0020063500000000 ] - [ -0.0596242300000000, 0.0164376000000000, 0.0015293200000000 ] - [ -0.0584252800000000, 0.0137280100000000, 0.0002821500000000 ] - [ -0.0602446600000000, 0.0164080200000000, -0.0015052600000000 ] - [ -0.0604773900000000, -0.0149060800000000, 0.0022830100000000 ] - [ -0.0600992600000000, -0.0163521800000000, 0.0009894800000000 ] - [ 0.0596982400000000, 0.0162654800000000, 0.0014241300000000 ] - [ 0.0596778100000000, 0.0164537900000000, 0.0014415200000000 ] - [ 0.0593822900000000, -0.0158097300000000, -0.0009370000000000 ] - [ 0.0595309700000000, -0.0161159300000000, -0.0013680600000000 ] - [ 0.0152023300000000, 0.0238573200000000, -0.0002850700000000 ] - [ 0.0140626500000000, 0.0230219700000000, 0.0005594500000000 ] - [ 0.0143272400000000, -0.0237232500000000, 0.0003703000000000 ] - [ 0.0143614500000000, -0.0237685500000000, 0.0002044800000000 ] - [ -0.0145585100000000, 0.0237912800000000, 0.0004818500000000 ] - [ -0.0142689700000000, 0.0233791600000000, 0.0001305100000000 ] - [ -0.0145803300000000, -0.0223990500000000, -0.0001579700000000 ] - [ -0.0141226300000000, -0.0236327900000000, -0.0001223500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023505800000000, -0.0040453300000000, -0.0003389200000000 ] - [ -0.0006856500000000, -0.0003002400000000, 0.0001696200000000 ] - [ 0.0007511600000000, -0.0000854700000000, -0.0001679400000000 ] - [ 0.0008237900000000, -0.0000217000000000, -0.0000804700000000 ] - [ 0.0002847000000000, 0.0002387100000000, 0.0003891100000000 ] - [ 0.0009637000000000, 0.0001941800000000, 0.0003813900000000 ] - [ -0.0008222400000000, 0.0000170700000000, -0.0000894200000000 ] - [ -0.0007746100000000, 0.0000074100000000, -0.0000653400000000 ] - [ -0.0089514600000000, 0.0073897700000000, -0.0003493200000000 ] - [ -0.0087631800000000, 0.0071511700000000, -0.0001154000000000 ] - [ -0.0088024300000000, -0.0072843100000000, -0.0004013000000000 ] - [ -0.0088233900000000, -0.0070100600000000, -0.0000657000000000 ] - [ 0.0088301500000000, 0.0069174700000000, -0.0000812300000000 ] - [ 0.0085958900000000, 0.0067842700000000, -0.0002905700000000 ] - [ 0.0086235900000000, -0.0071072800000000, 0.0000114100000000 ] - [ 0.0089821300000000, -0.0070080300000000, -0.0000014200000000 ] - [ 0.0184318100000000, 0.1884030100000000, 0.0874293800000000 ] - [ 0.0186543700000000, 0.1850829600000000, 0.0822887300000000 ] - [ 0.0192848200000000, -0.1870127500000000, -0.0865026100000000 ] - [ 0.0192655000000000, -0.1869396200000000, -0.0860774500000000 ] - [ -0.0193477300000000, 0.1868993300000000, -0.0859871400000000 ] - [ -0.0194097000000000, 0.1867889100000000, -0.0862448000000000 ] - [ -0.0194984300000000, -0.1863826100000000, 0.0870606800000000 ] - [ -0.0193072000000000, -0.1867689600000000, 0.0862502000000000 ] - [ -0.0206036600000000, -0.1854229800000000, -0.0884711100000000 ] - [ -0.0190695400000000, -0.1868400800000000, -0.0866891000000000 ] - [ -0.0197097300000000, 0.1868362400000000, 0.0863839600000000 ] - [ -0.0193861400000000, 0.1868125400000000, 0.0858812800000000 ] - [ 0.0194254400000000, -0.1865140200000000, 0.0866741500000000 ] - [ 0.0192267500000000, -0.1867306900000000, 0.0863323500000000 ] - [ 0.0192659000000000, 0.1869532800000000, -0.0859363800000000 ] - [ 0.0194409900000000, 0.1868705400000000, -0.0859771900000000 ] - [ -0.0318234700000000, -0.0901582500000000, -0.1390136300000000 ] - [ -0.0392804800000000, -0.0842141600000000, -0.1311748500000000 ] - [ -0.0381872600000000, 0.0868085400000000, 0.1324692700000000 ] - [ -0.0377461700000000, 0.0864447700000000, 0.1320852900000000 ] - [ 0.0375339200000000, -0.0861729000000000, 0.1323140100000000 ] - [ 0.0375397200000000, -0.0860507800000000, 0.1323206200000000 ] - [ 0.0376866200000000, 0.0863189700000000, -0.1323484600000000 ] - [ 0.0375896700000000, 0.0862946000000000, -0.1323781600000000 ] - [ 0.0357650600000000, 0.0850324000000000, 0.1294879000000000 ] - [ 0.0359408600000000, 0.0869085900000000, 0.1329324600000000 ] - [ 0.0375367200000000, -0.0858675600000000, -0.1322173700000000 ] - [ 0.0363980200000000, -0.0866440600000000, -0.1332488200000000 ] - [ -0.0375044800000000, 0.0857014900000000, -0.1317167200000000 ] - [ -0.0376362500000000, 0.0862465200000000, -0.1323176000000000 ] - [ -0.0375007500000000, -0.0862485100000000, 0.1323868100000000 ] - [ -0.0376215200000000, -0.0862415100000000, 0.1323695300000000 ] - [ 0.0163948200000000, 0.0208837800000000, -0.0075237300000000 ] - [ 0.0208651200000000, 0.0191391300000000, -0.0452639100000000 ] - [ 0.0198464400000000, -0.0205276600000000, 0.0453420400000000 ] - [ 0.0198751400000000, -0.0204994200000000, 0.0453604800000000 ] - [ -0.0191747300000000, 0.0195574100000000, 0.0443126900000000 ] - [ -0.0194642900000000, 0.0199672900000000, 0.0445250000000000 ] - [ -0.0195469900000000, -0.0203702000000000, -0.0451022800000000 ] - [ -0.0195764100000000, -0.0203446400000000, -0.0449994600000000 ] - [ -0.0200505600000000, -0.0201595800000000, 0.0455482400000000 ] - [ -0.0132556800000000, -0.0219306200000000, 0.0430263600000000 ] - [ -0.0188781000000000, 0.0200682800000000, -0.0441278700000000 ] - [ -0.0181047600000000, 0.0185949700000000, -0.0447154200000000 ] - [ 0.0199841600000000, -0.0201610400000000, -0.0449725000000000 ] - [ 0.0194650200000000, -0.0201112800000000, -0.0447715600000000 ] - [ 0.0192517800000000, 0.0195071800000000, 0.0439298900000000 ] - [ 0.0194179400000000, 0.0200027800000000, 0.0446715700000000 ] - [ 0.0337160700000000, -0.1775105500000000, -0.0052607400000000 ] - [ 0.0330716000000000, -0.1861875100000000, 0.0144612000000000 ] - [ 0.0323098600000000, 0.1869461000000000, -0.0146184200000000 ] - [ 0.0324058300000000, 0.1868795300000000, -0.0146556200000000 ] - [ -0.0327177200000000, -0.1863757000000000, -0.0142779700000000 ] - [ -0.0324907500000000, -0.1865944100000000, -0.0142448700000000 ] - [ -0.0324185300000000, 0.1868407900000000, 0.0144710200000000 ] - [ -0.0323735400000000, 0.1868485000000000, 0.0145878000000000 ] - [ -0.0325885500000000, 0.1869965700000000, -0.0148833400000000 ] - [ -0.0330320100000000, 0.1861754200000000, -0.0141913900000000 ] - [ -0.0327175600000000, -0.1866861500000000, 0.0139544600000000 ] - [ -0.0345206500000000, -0.1886657500000000, 0.0146848100000000 ] - [ 0.0323107100000000, 0.1868174000000000, 0.0145212000000000 ] - [ 0.0325166500000000, 0.1867375400000000, 0.0144472200000000 ] - [ 0.0327688800000000, -0.1863842700000000, -0.0147306500000000 ] - [ 0.0325609800000000, -0.1867052000000000, -0.0143100000000000 ] - [ -0.0607819300000000, 0.0459096100000000, 0.0687309600000000 ] - [ -0.0591571900000000, 0.0433520200000000, 0.0653380600000000 ] - [ -0.0587932100000000, -0.0440191800000000, -0.0656254100000000 ] - [ -0.0591015600000000, -0.0438640300000000, -0.0651432500000000 ] - [ 0.0588187600000000, 0.0439912600000000, -0.0654167200000000 ] - [ 0.0586794700000000, 0.0438942400000000, -0.0655091000000000 ] - [ 0.0587017000000000, -0.0438678100000000, 0.0655633700000000 ] - [ 0.0588769000000000, -0.0437814700000000, 0.0654982300000000 ] - [ 0.0587490100000000, -0.0438818100000000, -0.0655580000000000 ] - [ 0.0585989100000000, -0.0433585500000000, -0.0652769400000000 ] - [ 0.0600184400000000, 0.0427127800000000, 0.0650432900000000 ] - [ 0.0575093800000000, 0.0441493900000000, 0.0621457000000000 ] - [ -0.0587604300000000, -0.0438002000000000, 0.0655299300000000 ] - [ -0.0587927300000000, -0.0438843200000000, 0.0655119800000000 ] - [ -0.0590241100000000, 0.0441138000000000, -0.0654174400000000 ] - [ -0.0588335000000000, 0.0440904800000000, -0.0653152200000000 ] - [ 0.0638923400000000, -0.0150627800000000, 0.0021620700000000 ] - [ 0.0584646800000000, -0.0175480500000000, 0.0020685400000000 ] - [ 0.0603719300000000, 0.0169394400000000, -0.0010269600000000 ] - [ 0.0596156700000000, 0.0160577700000000, -0.0012722700000000 ] - [ -0.0598530200000000, -0.0163850000000000, -0.0014047100000000 ] - [ -0.0596753900000000, -0.0165743100000000, -0.0015324100000000 ] - [ -0.0595479900000000, 0.0160690400000000, 0.0008748300000000 ] - [ -0.0596305700000000, 0.0161950700000000, 0.0013537700000000 ] - [ -0.0608382300000000, 0.0189194300000000, -0.0031621500000000 ] - [ -0.0590107900000000, 0.0162277100000000, -0.0013751000000000 ] - [ -0.0587696600000000, -0.0177451900000000, 0.0005964200000000 ] - [ -0.0591310200000000, -0.0162878500000000, 0.0018931700000000 ] - [ 0.0595593000000000, 0.0163661700000000, 0.0014594500000000 ] - [ 0.0595779500000000, 0.0161772400000000, 0.0014413900000000 ] - [ 0.0598684000000000, -0.0168203800000000, -0.0019422600000000 ] - [ 0.0597233100000000, -0.0165165600000000, -0.0015139600000000 ] - [ 0.0133444700000000, 0.0233079600000000, 0.0002820600000000 ] - [ 0.0144715000000000, 0.0241382800000000, -0.0005660800000000 ] - [ 0.0142064300000000, -0.0234393400000000, -0.0003752600000000 ] - [ 0.0141761700000000, -0.0233908100000000, -0.0002020000000000 ] - [ -0.0139801600000000, 0.0233647400000000, -0.0004873900000000 ] - [ -0.0142675500000000, 0.0237787000000000, -0.0001298500000000 ] - [ -0.0139455000000000, -0.0247796700000000, 0.0001737900000000 ] - [ -0.0144156000000000, -0.0235274100000000, 0.0001215300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008880700000000, 0.0003292500000000, 0.0003714700000000 ] - [ -0.0010314600000000, 0.0001757800000000, -0.0002160500000000 ] - [ 0.0007853400000000, 0.0000138100000000, 0.0000818500000000 ] - [ 0.0008147200000000, 0.0000009200000000, 0.0000582000000000 ] - [ 0.0007735100000000, -0.0002835100000000, 0.0001210900000000 ] - [ 0.0007359100000000, 0.0000427300000000, 0.0000609400000000 ] - [ -0.0008202300000000, -0.0000585000000000, 0.0000792100000000 ] - [ -0.0008031500000000, 0.0000003000000000, 0.0000424900000000 ] - [ -0.0089365500000000, 0.0068047800000000, 0.0002582000000000 ] - [ -0.0088406000000000, 0.0069748700000000, 0.0000904700000000 ] - [ -0.0088627000000000, -0.0070612200000000, 0.0000865500000000 ] - [ -0.0088487300000000, -0.0070941800000000, 0.0000178600000000 ] - [ 0.0090273500000000, 0.0070668500000000, -0.0000341400000000 ] - [ 0.0118207800000000, 0.0089833900000000, 0.0019309500000000 ] - [ 0.0088786700000000, -0.0071017100000000, -0.0000017300000000 ] - [ 0.0088361900000000, -0.0071209400000000, -0.0000045600000000 ] - [ 0.0189850500000000, 0.1874282700000000, 0.0859671500000000 ] - [ 0.0210066600000000, 0.1873758200000000, 0.0853432700000000 ] - [ 0.0194793500000000, -0.1867208600000000, -0.0863617400000000 ] - [ 0.0192730100000000, -0.1867621400000000, -0.0860904900000000 ] - [ -0.0195106600000000, 0.1866227300000000, -0.0864677700000000 ] - [ -0.0194114200000000, 0.1867629300000000, -0.0861943700000000 ] - [ -0.0192958300000000, -0.1871949400000000, 0.0857569000000000 ] - [ -0.0193238400000000, -0.1868271500000000, 0.0861688300000000 ] - [ -0.0195354400000000, -0.1856379700000000, -0.0883059000000000 ] - [ -0.0193352200000000, -0.1870030600000000, -0.0859590200000000 ] - [ -0.0173725300000000, 0.1868980000000000, 0.0863316500000000 ] - [ -0.0187321100000000, 0.1867279400000000, 0.0864116100000000 ] - [ 0.0191464500000000, -0.1868647200000000, 0.0860109900000000 ] - [ 0.0193850200000000, -0.1867796100000000, 0.0862064800000000 ] - [ 0.0195044200000000, 0.1868206900000000, -0.0862976900000000 ] - [ 0.0193972800000000, 0.1867925800000000, -0.0863129300000000 ] - [ -0.0369036200000000, -0.0871194900000000, -0.1329420600000000 ] - [ -0.0381192800000000, -0.0864644400000000, -0.1321861500000000 ] - [ -0.0374066600000000, 0.0861332400000000, 0.1323802000000000 ] - [ -0.0374922900000000, 0.0861800400000000, 0.1323891900000000 ] - [ 0.0376094600000000, -0.0861334300000000, 0.1325996200000000 ] - [ 0.0375170400000000, -0.0861964300000000, 0.1323030300000000 ] - [ 0.0376103500000000, 0.0861595600000000, -0.1322870000000000 ] - [ 0.0376012000000000, 0.0862351600000000, -0.1323212200000000 ] - [ 0.0376250500000000, 0.0861418300000000, 0.1323509900000000 ] - [ 0.0377551100000000, 0.0861900500000000, 0.1322216300000000 ] - [ 0.0370251500000000, -0.0859870900000000, -0.1320175800000000 ] - [ 0.0390272800000000, -0.0863129500000000, -0.1321303400000000 ] - [ -0.0376961200000000, 0.0863821400000000, -0.1325633500000000 ] - [ -0.0375903700000000, 0.0862010500000000, -0.1323535200000000 ] - [ -0.0375622300000000, -0.0863740300000000, 0.1323568500000000 ] - [ -0.0374561000000000, -0.0863469300000000, 0.1323125000000000 ] - [ 0.0219632300000000, 0.0208762800000000, -0.0458565700000000 ] - [ 0.0198659200000000, 0.0201221400000000, -0.0452834100000000 ] - [ 0.0195392600000000, -0.0200100200000000, 0.0445108800000000 ] - [ 0.0193700800000000, -0.0201483600000000, 0.0446097800000000 ] - [ -0.0193808600000000, 0.0203276900000000, 0.0449268100000000 ] - [ -0.0194915800000000, 0.0201661700000000, 0.0446952200000000 ] - [ -0.0194791700000000, -0.0199825800000000, -0.0446237200000000 ] - [ -0.0193698300000000, -0.0201259500000000, -0.0445769800000000 ] - [ -0.0195067600000000, -0.0204065500000000, 0.0447934900000000 ] - [ -0.0201495200000000, -0.0202919100000000, 0.0452335800000000 ] - [ -0.0196253100000000, 0.0192852000000000, -0.0449240400000000 ] - [ -0.0201197600000000, 0.0180200700000000, -0.0467403800000000 ] - [ 0.0192976100000000, -0.0200571700000000, -0.0445160200000000 ] - [ 0.0195929700000000, -0.0201021000000000, -0.0447224300000000 ] - [ 0.0196049800000000, 0.0208778700000000, 0.0449829900000000 ] - [ 0.0193338900000000, 0.0202345500000000, 0.0447671400000000 ] - [ 0.0031367300000000, -0.1736670600000000, 0.0259040500000000 ] - [ 0.0326443500000000, -0.1869600300000000, 0.0142940000000000 ] - [ 0.0323728400000000, 0.1866293200000000, -0.0142738700000000 ] - [ 0.0324249000000000, 0.1866767800000000, -0.0143317900000000 ] - [ -0.0323505900000000, -0.1867749000000000, -0.0143883500000000 ] - [ -0.0324629900000000, -0.1867443900000000, -0.0144667900000000 ] - [ -0.0326269100000000, 0.1866697500000000, 0.0144200700000000 ] - [ -0.0325083900000000, 0.1866696000000000, 0.0142792600000000 ] - [ -0.0323112800000000, 0.1867172000000000, -0.0142942100000000 ] - [ -0.0321585800000000, 0.1871876100000000, -0.0147352800000000 ] - [ -0.0328942700000000, -0.1867485400000000, 0.0142608700000000 ] - [ -0.0331978100000000, -0.1876711400000000, 0.0153198400000000 ] - [ 0.0327126200000000, 0.1867111000000000, 0.0143241900000000 ] - [ 0.0324865200000000, 0.1867460200000000, 0.0143989700000000 ] - [ 0.0312740900000000, -0.1870685900000000, -0.0147167600000000 ] - [ 0.0323403700000000, -0.1868049700000000, -0.0144039600000000 ] - [ -0.0463661800000000, 0.0296129600000000, 0.0568446200000000 ] - [ -0.0543277000000000, 0.0462717000000000, 0.0667122300000000 ] - [ -0.0587387300000000, -0.0437675900000000, -0.0654809500000000 ] - [ -0.0586744900000000, -0.0437992000000000, -0.0654985000000000 ] - [ 0.0588323600000000, 0.0438500700000000, -0.0654609800000000 ] - [ 0.0588763700000000, 0.0439888200000000, -0.0652751900000000 ] - [ 0.0588443400000000, -0.0439300400000000, 0.0654221700000000 ] - [ 0.0587551400000000, -0.0439467100000000, 0.0655041100000000 ] - [ 0.0587811600000000, -0.0437921300000000, -0.0655931400000000 ] - [ 0.0588222400000000, -0.0442859200000000, -0.0654034200000000 ] - [ 0.0585939500000000, 0.0441829600000000, 0.0658728300000000 ] - [ 0.0593710200000000, 0.0444257600000000, 0.0658539900000000 ] - [ -0.0588006800000000, -0.0439572900000000, 0.0655123000000000 ] - [ -0.0587889900000000, -0.0439488200000000, 0.0655039400000000 ] - [ -0.0584529000000000, 0.0439223800000000, -0.0656691300000000 ] - [ -0.0588188500000000, 0.0439043500000000, -0.0654008700000000 ] - [ 0.0606549300000000, -0.0165750700000000, 0.0038188000000000 ] - [ 0.0628141000000000, -0.0178247000000000, 0.0001542400000000 ] - [ 0.0594970900000000, 0.0162912500000000, -0.0015443900000000 ] - [ 0.0596694900000000, 0.0162722300000000, -0.0014404600000000 ] - [ -0.0595210400000000, -0.0164057000000000, -0.0015376600000000 ] - [ -0.0596032400000000, -0.0162182000000000, -0.0014637900000000 ] - [ -0.0596682900000000, 0.0165940300000000, 0.0015182400000000 ] - [ -0.0596524800000000, 0.0163876900000000, 0.0014355300000000 ] - [ -0.0595781400000000, 0.0160864400000000, -0.0011542200000000 ] - [ -0.0598552000000000, 0.0164089800000000, -0.0015565400000000 ] - [ -0.0592053700000000, -0.0158265100000000, 0.0012222000000000 ] - [ -0.0594057500000000, -0.0165022100000000, 0.0011741300000000 ] - [ 0.0596550300000000, 0.0163872100000000, 0.0014242300000000 ] - [ 0.0596180000000000, 0.0164068300000000, 0.0014427200000000 ] - [ 0.0597552800000000, -0.0164935100000000, -0.0017717200000000 ] - [ 0.0596356700000000, -0.0163230100000000, -0.0014940700000000 ] - [ 0.0135758700000000, 0.0240079100000000, -0.0011496600000000 ] - [ 0.0142544900000000, 0.0235469800000000, -0.0003009400000000 ] - [ 0.0142873500000000, -0.0236402100000000, 0.0000454400000000 ] - [ 0.0142611000000000, -0.0235770100000000, -0.0000026700000000 ] - [ -0.0145020900000000, 0.0235114300000000, -0.0002143300000000 ] - [ -0.0143030000000000, 0.0235234300000000, -0.0001377500000000 ] - [ -0.0142599000000000, -0.0235122400000000, -0.0000870700000000 ] - [ -0.0142038800000000, -0.0236098300000000, 0.0000466100000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007265100000000, -0.0003259300000000, -0.0003680200000000 ] - [ -0.0005830000000000, -0.0001722000000000, 0.0002096300000000 ] - [ 0.0008262800000000, -0.0000135400000000, -0.0000806400000000 ] - [ 0.0007965000000000, -0.0000008400000000, -0.0000572100000000 ] - [ 0.0008401300000000, 0.0002784600000000, -0.0001197000000000 ] - [ 0.0008742800000000, -0.0000434800000000, -0.0000609700000000 ] - [ -0.0007912700000000, 0.0000580600000000, -0.0000784900000000 ] - [ -0.0008073900000000, -0.0000001900000000, -0.0000411500000000 ] - [ -0.0087656000000000, 0.0073772700000000, -0.0002568100000000 ] - [ -0.0088612500000000, 0.0072062600000000, -0.0000884000000000 ] - [ -0.0088412100000000, -0.0071225000000000, -0.0000851800000000 ] - [ -0.0088538400000000, -0.0070900200000000, -0.0000181800000000 ] - [ 0.0086731100000000, 0.0071161500000000, 0.0000352700000000 ] - [ 0.0058101800000000, 0.0051330500000000, -0.0019886500000000 ] - [ 0.0088251500000000, -0.0070825600000000, 0.0000016800000000 ] - [ 0.0088664500000000, -0.0070634200000000, 0.0000043900000000 ] - [ 0.0197519400000000, 0.1861480700000000, 0.0864758700000000 ] - [ 0.0177031700000000, 0.1861758100000000, 0.0871357900000000 ] - [ 0.0192488600000000, -0.1868550200000000, -0.0860849700000000 ] - [ 0.0194541500000000, -0.1868129300000000, -0.0863591700000000 ] - [ -0.0192167900000000, 0.1869512100000000, -0.0859805800000000 ] - [ -0.0193171500000000, 0.1868121700000000, -0.0862536600000000 ] - [ -0.0194304800000000, -0.1863826700000000, 0.0866881100000000 ] - [ -0.0194032300000000, -0.1867486600000000, 0.0862783800000000 ] - [ -0.0191843700000000, -0.1879194900000000, -0.0841749200000000 ] - [ -0.0193935700000000, -0.1865750400000000, -0.0864858300000000 ] - [ -0.0213203600000000, 0.1866804800000000, 0.0861097500000000 ] - [ -0.0200108200000000, 0.1868563200000000, 0.0860503000000000 ] - [ 0.0195775800000000, -0.1867121100000000, 0.0864331900000000 ] - [ 0.0193429100000000, -0.1867958300000000, 0.0862413100000000 ] - [ 0.0192232600000000, 0.1867533400000000, -0.0861507700000000 ] - [ 0.0193311800000000, 0.1867809400000000, -0.0861384100000000 ] - [ -0.0383212900000000, -0.0853189500000000, -0.1317705600000000 ] - [ -0.0371123400000000, -0.0859977500000000, -0.1325163600000000 ] - [ -0.0378177800000000, 0.0863306800000000, 0.1323226900000000 ] - [ -0.0377362100000000, 0.0862823000000000, 0.1323153700000000 ] - [ 0.0376169200000000, -0.0863276900000000, 0.1321082800000000 ] - [ 0.0377095600000000, -0.0862687300000000, 0.1324008200000000 ] - [ 0.0376174500000000, 0.0863030000000000, -0.1324172000000000 ] - [ 0.0376270400000000, 0.0862277000000000, -0.1323823300000000 ] - [ 0.0376016200000000, 0.0863207200000000, 0.1323530900000000 ] - [ 0.0374787900000000, 0.0862709200000000, 0.1324826700000000 ] - [ 0.0381983600000000, -0.0864596400000000, -0.1326789600000000 ] - [ 0.0362077300000000, -0.0862008900000000, -0.1325782300000000 ] - [ -0.0375317400000000, 0.0860837100000000, -0.1321448100000000 ] - [ -0.0376369300000000, 0.0862617400000000, -0.1323506300000000 ] - [ -0.0376655600000000, -0.0860892000000000, 0.1323464600000000 ] - [ -0.0377726100000000, -0.0861162800000000, 0.1323910200000000 ] - [ 0.0170106600000000, 0.0193843100000000, -0.0435621300000000 ] - [ 0.0191077800000000, 0.0201135100000000, -0.0441227600000000 ] - [ 0.0194268800000000, -0.0202195900000000, 0.0448840200000000 ] - [ 0.0195976700000000, -0.0200814200000000, 0.0447876800000000 ] - [ -0.0195869100000000, 0.0199091500000000, 0.0444791700000000 ] - [ -0.0194767400000000, 0.0200701200000000, 0.0447043700000000 ] - [ -0.0194883500000000, -0.0202491400000000, -0.0447766300000000 ] - [ -0.0195970700000000, -0.0201065900000000, -0.0448204800000000 ] - [ -0.0194585500000000, -0.0198329100000000, 0.0446102200000000 ] - [ -0.0188362600000000, -0.0199276500000000, 0.0441637500000000 ] - [ -0.0193418100000000, 0.0209459400000000, -0.0444790800000000 ] - [ -0.0188846400000000, 0.0222289200000000, -0.0426816800000000 ] - [ 0.0196679800000000, -0.0201769400000000, -0.0448839600000000 ] - [ 0.0193770600000000, -0.0201309600000000, -0.0446784600000000 ] - [ 0.0193610000000000, 0.0193598100000000, 0.0444270400000000 ] - [ 0.0196353600000000, 0.0199988500000000, 0.0446335500000000 ] - [ 0.0619806300000000, -0.2003795300000000, 0.0025971900000000 ] - [ 0.0323368600000000, -0.1864661200000000, 0.0144270800000000 ] - [ 0.0326128900000000, 0.1868144900000000, -0.0144435300000000 ] - [ 0.0325595200000000, 0.1867666000000000, -0.0143854800000000 ] - [ -0.0326332600000000, -0.1866716600000000, -0.0143325400000000 ] - [ -0.0325226500000000, -0.1867017100000000, -0.0142509100000000 ] - [ -0.0323599000000000, 0.1867738200000000, 0.0142990600000000 ] - [ -0.0324770200000000, 0.1867729700000000, 0.0144378200000000 ] - [ -0.0326697200000000, 0.1867285100000000, -0.0144246000000000 ] - [ -0.0328261900000000, 0.1862548500000000, -0.0139807300000000 ] - [ -0.0320950300000000, -0.1866996700000000, 0.0144522000000000 ] - [ -0.0317871300000000, -0.1857912800000000, 0.0134129300000000 ] - [ 0.0322742400000000, 0.1867347200000000, 0.0143941400000000 ] - [ 0.0324985400000000, 0.1866994200000000, 0.0143206100000000 ] - [ 0.0336986500000000, -0.1863796200000000, -0.0139794300000000 ] - [ 0.0326449300000000, -0.1866358500000000, -0.0143144000000000 ] - [ -0.0714404500000000, 0.0587032700000000, 0.0743504200000000 ] - [ -0.0631059300000000, 0.0415840700000000, 0.0643048100000000 ] - [ -0.0588651200000000, -0.0440399700000000, -0.0655078600000000 ] - [ -0.0589258500000000, -0.0440049000000000, -0.0654900800000000 ] - [ 0.0587702900000000, 0.0439559700000000, -0.0655280700000000 ] - [ 0.0587272100000000, 0.0438183200000000, -0.0657128600000000 ] - [ 0.0587587400000000, -0.0438767200000000, 0.0655659500000000 ] - [ 0.0588460600000000, -0.0438590000000000, 0.0654851400000000 ] - [ 0.0588209300000000, -0.0440143400000000, -0.0653954300000000 ] - [ 0.0587817200000000, -0.0435192200000000, -0.0655861800000000 ] - [ 0.0590100200000000, 0.0436292000000000, 0.0651176500000000 ] - [ 0.0582348300000000, 0.0433886300000000, 0.0651374600000000 ] - [ -0.0588024400000000, -0.0438496100000000, 0.0654758300000000 ] - [ -0.0588132700000000, -0.0438576300000000, 0.0654850700000000 ] - [ -0.0591504700000000, 0.0438832300000000, -0.0653241000000000 ] - [ -0.0587812100000000, 0.0439012400000000, -0.0655875700000000 ] - [ 0.0586813500000000, -0.0160550400000000, -0.0009158100000000 ] - [ 0.0563972200000000, -0.0147532600000000, 0.0027550900000000 ] - [ 0.0597738700000000, 0.0163437700000000, -0.0013384600000000 ] - [ 0.0596034600000000, 0.0163656900000000, -0.0014410400000000 ] - [ -0.0597479200000000, -0.0162314700000000, -0.0013400900000000 ] - [ -0.0596686400000000, -0.0164183300000000, -0.0014179300000000 ] - [ -0.0596051600000000, 0.0160443300000000, 0.0013627100000000 ] - [ -0.0596187100000000, 0.0162495200000000, 0.0014448300000000 ] - [ -0.0596965200000000, 0.0165484000000000, -0.0017322100000000 ] - [ -0.0594181600000000, 0.0162284400000000, -0.0013240400000000 ] - [ -0.0600677600000000, -0.0168213200000000, 0.0016711200000000 ] - [ -0.0598622500000000, -0.0161337100000000, 0.0017058400000000 ] - [ 0.0596181800000000, 0.0162486200000000, 0.0014562000000000 ] - [ 0.0596548400000000, 0.0162304200000000, 0.0014382900000000 ] - [ 0.0595165400000000, -0.0161439300000000, -0.0011043100000000 ] - [ 0.0596392900000000, -0.0163139100000000, -0.0013864600000000 ] - [ 0.0149565600000000, 0.0231566800000000, 0.0011282600000000 ] - [ 0.0142780300000000, 0.0236115000000000, 0.0003101500000000 ] - [ 0.0142490200000000, -0.0235195400000000, -0.0000440200000000 ] - [ 0.0142741900000000, -0.0235836000000000, 0.0000015500000000 ] - [ -0.0140372700000000, 0.0236465200000000, 0.0002076800000000 ] - [ -0.0142314800000000, 0.0236374900000000, 0.0001379600000000 ] - [ -0.0142728100000000, -0.0236478300000000, 0.0000941400000000 ] - [ -0.0143316700000000, -0.0235501400000000, -0.0000469800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006795000000000, 0.0000275100000000, 0.0004167200000000 ] - [ -0.0008221300000000, 0.0000727600000000, -0.0001834600000000 ] - [ 0.0008446300000000, 0.0000550300000000, 0.0000361800000000 ] - [ 0.0008003600000000, 0.0000203100000000, 0.0000187000000000 ] - [ 0.0009137400000000, 0.0000223700000000, -0.0003058600000000 ] - [ 0.0008332800000000, -0.0003356900000000, -0.0002884800000000 ] - [ -0.0008024500000000, -0.0000485500000000, 0.0000295400000000 ] - [ -0.0008080000000000, -0.0000117200000000, 0.0000119000000000 ] - [ -0.0088473400000000, 0.0074209100000000, -0.0000783300000000 ] - [ -0.0088262700000000, 0.0070359500000000, 0.0001130400000000 ] - [ -0.0088842500000000, -0.0070228800000000, 0.0001344500000000 ] - [ -0.0088439800000000, -0.0071032900000000, -0.0000033600000000 ] - [ 0.0090258900000000, 0.0070089200000000, 0.0000681800000000 ] - [ 0.0107607100000000, 0.0080686900000000, 0.0016031200000000 ] - [ 0.0089312100000000, -0.0070948100000000, -0.0000553000000000 ] - [ 0.0088047900000000, -0.0071497800000000, -0.0000128400000000 ] - [ 0.0195257400000000, 0.1867894500000000, 0.0863539100000000 ] - [ 0.0203452000000000, 0.1867095700000000, 0.0861931100000000 ] - [ 0.0193570900000000, -0.1867901500000000, -0.0861172900000000 ] - [ 0.0194128300000000, -0.1868107400000000, -0.0863306900000000 ] - [ -0.0192992600000000, 0.1867883700000000, -0.0862509800000000 ] - [ -0.0193857800000000, 0.1867758700000000, -0.0862664800000000 ] - [ -0.0193328200000000, -0.1872368400000000, 0.0856863500000000 ] - [ -0.0193863400000000, -0.1867885800000000, 0.0862298500000000 ] - [ -0.0188867500000000, -0.1842137600000000, -0.0904546000000000 ] - [ -0.0195638600000000, -0.1868672300000000, -0.0859793300000000 ] - [ -0.0198335900000000, 0.1854510600000000, 0.0853170100000000 ] - [ -0.0196760200000000, 0.1863861600000000, 0.0859779000000000 ] - [ 0.0192371600000000, -0.1869098300000000, 0.0858685700000000 ] - [ 0.0194746800000000, -0.1867885500000000, 0.0861958800000000 ] - [ 0.0193362600000000, 0.1867663600000000, -0.0862802000000000 ] - [ 0.0193918700000000, 0.1867005500000000, -0.0862949100000000 ] - [ -0.0402034700000000, -0.0845553300000000, -0.1316366600000000 ] - [ -0.0376775400000000, -0.0862446100000000, -0.1326029000000000 ] - [ -0.0373041300000000, 0.0860467600000000, 0.1323217100000000 ] - [ -0.0375895500000000, 0.0862149600000000, 0.1325018000000000 ] - [ 0.0376146600000000, -0.0863088600000000, 0.1323334800000000 ] - [ 0.0375995900000000, -0.0862731700000000, 0.1322607800000000 ] - [ 0.0375772100000000, 0.0861453800000000, -0.1322947000000000 ] - [ 0.0375950600000000, 0.0862027600000000, -0.1323221700000000 ] - [ 0.0377867400000000, 0.0863238600000000, 0.1323899000000000 ] - [ 0.0380774500000000, 0.0860205200000000, 0.1323254300000000 ] - [ 0.0374241600000000, -0.0859194500000000, -0.1320611200000000 ] - [ 0.0372714000000000, -0.0851459300000000, -0.1310051000000000 ] - [ -0.0376357300000000, 0.0864835100000000, -0.1327342100000000 ] - [ -0.0376121100000000, 0.0862323300000000, -0.1323359600000000 ] - [ -0.0376314300000000, -0.0861916400000000, 0.1323462900000000 ] - [ -0.0375705200000000, -0.0862528500000000, 0.1322535900000000 ] - [ 0.0226350400000000, 0.0291945700000000, -0.0535022900000000 ] - [ 0.0193314700000000, 0.0204308200000000, -0.0452410900000000 ] - [ 0.0192699100000000, -0.0199504100000000, 0.0444797100000000 ] - [ 0.0194211400000000, -0.0199192900000000, 0.0445453900000000 ] - [ -0.0195043700000000, 0.0203881700000000, 0.0450474700000000 ] - [ -0.0196095400000000, 0.0201849500000000, 0.0448300100000000 ] - [ -0.0194626400000000, -0.0200151700000000, -0.0445841500000000 ] - [ -0.0193924200000000, -0.0200502400000000, -0.0445756300000000 ] - [ -0.0190010800000000, -0.0200346700000000, 0.0444312400000000 ] - [ -0.0211296900000000, -0.0195066800000000, 0.0452509700000000 ] - [ -0.0187330800000000, 0.0205111200000000, -0.0447336000000000 ] - [ -0.0232756200000000, 0.0252322200000000, -0.0427451700000000 ] - [ 0.0192480600000000, -0.0202399500000000, -0.0446085900000000 ] - [ 0.0195661500000000, -0.0201131600000000, -0.0446880300000000 ] - [ 0.0197506100000000, 0.0208501900000000, 0.0450456400000000 ] - [ 0.0194639000000000, 0.0201657400000000, 0.0447175900000000 ] - [ 0.0462966700000000, -0.2378237200000000, 0.0110869900000000 ] - [ 0.0322382500000000, -0.1888618500000000, 0.0140630400000000 ] - [ 0.0325858900000000, 0.1866551300000000, -0.0142275600000000 ] - [ 0.0325378900000000, 0.1866420100000000, -0.0143022700000000 ] - [ -0.0324419500000000, -0.1868772400000000, -0.0144010600000000 ] - [ -0.0324718500000000, -0.1867588100000000, -0.0142607100000000 ] - [ -0.0325447600000000, 0.1866507900000000, 0.0144081700000000 ] - [ -0.0325436700000000, 0.1866183300000000, 0.0142717800000000 ] - [ -0.0324989300000000, 0.1866009500000000, -0.0141986700000000 ] - [ -0.0320267700000000, 0.1872695200000000, -0.0148733800000000 ] - [ -0.0324666700000000, -0.1869270000000000, 0.0143348400000000 ] - [ -0.0315577100000000, -0.1867174300000000, 0.0146756200000000 ] - [ 0.0325044200000000, 0.1867886700000000, 0.0143567500000000 ] - [ 0.0324689700000000, 0.1867120600000000, 0.0143292800000000 ] - [ 0.0321495500000000, -0.1875656900000000, -0.0149228400000000 ] - [ 0.0324087300000000, -0.1868120900000000, -0.0144419200000000 ] - [ -0.0743419200000000, 0.0750657900000000, 0.0794318300000000 ] - [ -0.0586149000000000, 0.0449608500000000, 0.0653157700000000 ] - [ -0.0589904900000000, -0.0438645100000000, -0.0653936100000000 ] - [ -0.0587960700000000, -0.0438880400000000, -0.0654988400000000 ] - [ 0.0587995000000000, 0.0438870600000000, -0.0655877100000000 ] - [ 0.0587766800000000, 0.0439100800000000, -0.0656784500000000 ] - [ 0.0588483100000000, -0.0439055500000000, 0.0654363100000000 ] - [ 0.0587525500000000, -0.0438973900000000, 0.0654771900000000 ] - [ 0.0588757000000000, -0.0439650500000000, -0.0655050800000000 ] - [ 0.0588150400000000, -0.0443439200000000, -0.0655490400000000 ] - [ 0.0597269500000000, 0.0438606700000000, 0.0649272600000000 ] - [ 0.0588409000000000, 0.0441134700000000, 0.0646756400000000 ] - [ -0.0588132800000000, -0.0439261800000000, 0.0654854000000000 ] - [ -0.0588105000000000, -0.0439032800000000, 0.0654846100000000 ] - [ -0.0586236200000000, 0.0438045000000000, -0.0653440600000000 ] - [ -0.0587302700000000, 0.0439324800000000, -0.0655098800000000 ] - [ 0.0617156200000000, -0.0142451300000000, 0.0032205400000000 ] - [ 0.0580049600000000, -0.0170786900000000, -0.0000414500000000 ] - [ 0.0594604900000000, 0.0161858900000000, -0.0016572500000000 ] - [ 0.0597404000000000, 0.0165310900000000, -0.0015400000000000 ] - [ -0.0596216300000000, -0.0159116000000000, -0.0009492300000000 ] - [ -0.0595769100000000, -0.0163048200000000, -0.0014390900000000 ] - [ -0.0596430000000000, 0.0165082500000000, 0.0016755500000000 ] - [ -0.0596204800000000, 0.0163657100000000, 0.0015229000000000 ] - [ -0.0593308200000000, 0.0158965500000000, -0.0014062900000000 ] - [ -0.0600003600000000, 0.0163634200000000, -0.0015220700000000 ] - [ -0.0599555200000000, -0.0167952900000000, 0.0016070400000000 ] - [ -0.0601474400000000, -0.0162726700000000, 0.0016564700000000 ] - [ 0.0597220400000000, 0.0163036500000000, 0.0014940800000000 ] - [ 0.0596283900000000, 0.0163539100000000, 0.0014102100000000 ] - [ 0.0595145900000000, -0.0163610400000000, -0.0015067600000000 ] - [ 0.0595745400000000, -0.0162140500000000, -0.0012700800000000 ] - [ 0.0147298100000000, 0.0245517700000000, -0.0004207200000000 ] - [ 0.0142273800000000, 0.0235354900000000, 0.0001148500000000 ] - [ 0.0142991000000000, -0.0236489300000000, 0.0001875800000000 ] - [ 0.0142559900000000, -0.0236749400000000, 0.0000214300000000 ] - [ -0.0139687000000000, 0.0229745000000000, -0.0002451100000000 ] - [ -0.0142709700000000, 0.0236223300000000, 0.0001397200000000 ] - [ -0.0143409800000000, -0.0233250900000000, 0.0002246400000000 ] - [ -0.0141658800000000, -0.0236288100000000, -0.0001042600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009369900000000, -0.0000278400000000, -0.0004230200000000 ] - [ -0.0007872700000000, -0.0000735300000000, 0.0001827400000000 ] - [ 0.0007667200000000, -0.0000554800000000, -0.0000371900000000 ] - [ 0.0008112200000000, -0.0000204100000000, -0.0000197300000000 ] - [ 0.0006966400000000, -0.0000241600000000, 0.0003084500000000 ] - [ 0.0007772100000000, 0.0003382800000000, 0.0002905200000000 ] - [ -0.0008093700000000, 0.0000483900000000, -0.0000289800000000 ] - [ -0.0008035700000000, 0.0000119400000000, -0.0000118000000000 ] - [ -0.0088583200000000, 0.0067609100000000, 0.0000792800000000 ] - [ -0.0088778300000000, 0.0071483800000000, -0.0001141300000000 ] - [ -0.0088199200000000, -0.0071626200000000, -0.0001367700000000 ] - [ -0.0088602000000000, -0.0070809700000000, 0.0000028600000000 ] - [ 0.0086797300000000, 0.0071777000000000, -0.0000673400000000 ] - [ 0.0069075100000000, 0.0061033000000000, -0.0016275500000000 ] - [ 0.0087715900000000, -0.0070891900000000, 0.0000556800000000 ] - [ 0.0089005100000000, -0.0070337900000000, 0.0000124900000000 ] - [ 0.0191930900000000, 0.1867767100000000, 0.0860886300000000 ] - [ 0.0183993600000000, 0.1868668700000000, 0.0862454800000000 ] - [ 0.0193680300000000, -0.1867863100000000, -0.0863309800000000 ] - [ 0.0193172300000000, -0.1867669000000000, -0.0861206900000000 ] - [ -0.0194273700000000, 0.1867863100000000, -0.0861964200000000 ] - [ -0.0193409900000000, 0.1867985700000000, -0.0861807000000000 ] - [ -0.0193958500000000, -0.1863377900000000, 0.0867657600000000 ] - [ -0.0193411200000000, -0.1867863900000000, 0.0862176100000000 ] - [ -0.0198211000000000, -0.1893987700000000, -0.0818988000000000 ] - [ -0.0191623400000000, -0.1867083400000000, -0.0864668000000000 ] - [ -0.0189132800000000, 0.1881232200000000, 0.0871257400000000 ] - [ -0.0190489400000000, 0.1871963200000000, 0.0864693500000000 ] - [ 0.0194887300000000, -0.1866636600000000, 0.0865796800000000 ] - [ 0.0192525700000000, -0.1867859700000000, 0.0862519000000000 ] - [ 0.0193908100000000, 0.1868076100000000, -0.0861668000000000 ] - [ 0.0193365100000000, 0.1868729800000000, -0.0861520700000000 ] - [ -0.0349742800000000, -0.0879396100000000, -0.1330649100000000 ] - [ -0.0375421500000000, -0.0862140600000000, -0.1321024500000000 ] - [ -0.0379253000000000, 0.0864202900000000, 0.1323838800000000 ] - [ -0.0376385500000000, 0.0862492000000000, 0.1322027400000000 ] - [ 0.0376133000000000, -0.0861544800000000, 0.1323710600000000 ] - [ 0.0376269300000000, -0.0861895600000000, 0.1324424800000000 ] - [ 0.0376500400000000, 0.0863171800000000, -0.1324108200000000 ] - [ 0.0376321800000000, 0.0862605800000000, -0.1323829700000000 ] - [ 0.0374346900000000, 0.0861307900000000, 0.1323140600000000 ] - [ 0.0371483000000000, 0.0864425700000000, 0.1323816700000000 ] - [ 0.0377979300000000, -0.0865333900000000, -0.1326383900000000 ] - [ 0.0379393700000000, -0.0873344400000000, -0.1337118900000000 ] - [ -0.0375911300000000, 0.0859777100000000, -0.1319707400000000 ] - [ -0.0376158800000000, 0.0862306600000000, -0.1323681800000000 ] - [ -0.0375977600000000, -0.0862703200000000, 0.1323578600000000 ] - [ -0.0376584200000000, -0.0862095400000000, 0.1324506700000000 ] - [ 0.0162275500000000, 0.0107472900000000, -0.0355500400000000 ] - [ 0.0196332400000000, 0.0198084100000000, -0.0441696700000000 ] - [ 0.0196981400000000, -0.0202823100000000, 0.0449228900000000 ] - [ 0.0195490300000000, -0.0203148600000000, 0.0448558800000000 ] - [ -0.0194640700000000, 0.0198441400000000, 0.0443544100000000 ] - [ -0.0193595200000000, 0.0200473800000000, 0.0445715400000000 ] - [ -0.0195059600000000, -0.0202182000000000, -0.0448173100000000 ] - [ -0.0195749000000000, -0.0201838000000000, -0.0448249900000000 ] - [ -0.0199683000000000, -0.0202039800000000, 0.0449754400000000 ] - [ -0.0178255600000000, -0.0207276500000000, 0.0441526500000000 ] - [ -0.0202305100000000, 0.0197279400000000, -0.0446640700000000 ] - [ -0.0156884800000000, 0.0150559500000000, -0.0466426200000000 ] - [ 0.0197216400000000, -0.0199925700000000, -0.0447919200000000 ] - [ 0.0194036200000000, -0.0201199900000000, -0.0447140200000000 ] - [ 0.0192178700000000, 0.0193835200000000, 0.0443584000000000 ] - [ 0.0195060800000000, 0.0200666200000000, 0.0446832700000000 ] - [ 0.0195788600000000, -0.1363005000000000, 0.0166602900000000 ] - [ 0.0327322600000000, -0.1846003400000000, 0.0146634100000000 ] - [ 0.0324008800000000, 0.1867906700000000, -0.0144907900000000 ] - [ 0.0324479900000000, 0.1868038000000000, -0.0144170800000000 ] - [ -0.0325453700000000, -0.1865685600000000, -0.0143127100000000 ] - [ -0.0325146900000000, -0.1866881700000000, -0.0144550600000000 ] - [ -0.0324408800000000, 0.1867932300000000, 0.0143108500000000 ] - [ -0.0324403000000000, 0.1868259400000000, 0.0144443700000000 ] - [ -0.0324877200000000, 0.1868466400000000, -0.0145227300000000 ] - [ -0.0329595500000000, 0.1861748600000000, -0.0138496000000000 ] - [ -0.0325155000000000, -0.1865171000000000, 0.0143852800000000 ] - [ -0.0334374700000000, -0.1867352800000000, 0.0140496900000000 ] - [ 0.0324806700000000, 0.1866564000000000, 0.0143601200000000 ] - [ 0.0325152800000000, 0.1867335900000000, 0.0143898100000000 ] - [ 0.0328385000000000, -0.1858803700000000, -0.0137819700000000 ] - [ 0.0325777100000000, -0.1866322200000000, -0.0142769800000000 ] - [ -0.0440758100000000, 0.0136946300000000, 0.0520887300000000 ] - [ -0.0589797300000000, 0.0428367200000000, 0.0656671900000000 ] - [ -0.0586103400000000, -0.0439428100000000, -0.0655964200000000 ] - [ -0.0588058100000000, -0.0439179900000000, -0.0654903000000000 ] - [ 0.0588038800000000, 0.0439203700000000, -0.0654014700000000 ] - [ 0.0588290000000000, 0.0438991800000000, -0.0653094900000000 ] - [ 0.0587539400000000, -0.0439006300000000, 0.0655516000000000 ] - [ 0.0588504100000000, -0.0439081900000000, 0.0655113000000000 ] - [ 0.0587256700000000, -0.0438409500000000, -0.0654855000000000 ] - [ 0.0587875400000000, -0.0434645600000000, -0.0654366000000000 ] - [ 0.0578511300000000, 0.0439522000000000, 0.0660698800000000 ] - [ 0.0587641300000000, 0.0437035500000000, 0.0663316200000000 ] - [ -0.0587886400000000, -0.0438799100000000, 0.0655029400000000 ] - [ -0.0587920300000000, -0.0439033800000000, 0.0655034300000000 ] - [ -0.0589792200000000, 0.0439983500000000, -0.0656437800000000 ] - [ -0.0588689800000000, 0.0438749300000000, -0.0654798200000000 ] - [ 0.0575796500000000, -0.0183556200000000, -0.0003369700000000 ] - [ 0.0612793100000000, -0.0155402000000000, 0.0029113900000000 ] - [ 0.0598139200000000, 0.0164521500000000, -0.0012219500000000 ] - [ 0.0595307600000000, 0.0161056300000000, -0.0013403800000000 ] - [ -0.0596484600000000, -0.0167326000000000, -0.0019375700000000 ] - [ -0.0596960100000000, -0.0163317100000000, -0.0014399600000000 ] - [ -0.0596296400000000, 0.0161292600000000, 0.0011976700000000 ] - [ -0.0596518900000000, 0.0162704700000000, 0.0013574600000000 ] - [ -0.0599595100000000, 0.0167719200000000, -0.0014936000000000 ] - [ -0.0592719400000000, 0.0162752000000000, -0.0013566800000000 ] - [ -0.0593149000000000, -0.0158410700000000, 0.0012741200000000 ] - [ -0.0591127000000000, -0.0163728100000000, 0.0012242700000000 ] - [ 0.0595502900000000, 0.0163339600000000, 0.0013872500000000 ] - [ 0.0596446200000000, 0.0162820700000000, 0.0014703500000000 ] - [ 0.0597543900000000, -0.0162741000000000, -0.0013686900000000 ] - [ 0.0596954600000000, -0.0164185400000000, -0.0016066100000000 ] - [ 0.0138237300000000, 0.0226229600000000, 0.0004158600000000 ] - [ 0.0143055800000000, 0.0236201200000000, -0.0001149400000000 ] - [ 0.0142352000000000, -0.0235128200000000, -0.0001907400000000 ] - [ 0.0142794800000000, -0.0234843000000000, -0.0000214600000000 ] - [ -0.0145756000000000, 0.0241897000000000, 0.0002466500000000 ] - [ -0.0142642200000000, 0.0235362100000000, -0.0001411700000000 ] - [ -0.0141858700000000, -0.0238548400000000, -0.0002093200000000 ] - [ -0.0143695600000000, -0.0235319600000000, 0.0001044600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002832100000000, 0.0005251400000000, 0.0018173200000000 ] - [ -0.0007877800000000, -0.0000632800000000, 0.0000841200000000 ] - [ 0.0007616500000000, -0.0000875500000000, -0.0001428800000000 ] - [ 0.0008176600000000, -0.0000225500000000, -0.0000661700000000 ] - [ 0.0005684900000000, 0.0000525200000000, 0.0001943300000000 ] - [ 0.0009004300000000, 0.0000577300000000, 0.0001381700000000 ] - [ -0.0008947000000000, -0.0000414500000000, 0.0001074300000000 ] - [ -0.0008165000000000, 0.0000179800000000, -0.0000437600000000 ] - [ -0.0088113400000000, 0.0073479300000000, -0.0003282300000000 ] - [ -0.0088050100000000, 0.0071170200000000, -0.0000775300000000 ] - [ -0.0088382900000000, -0.0071939400000000, -0.0001584400000000 ] - [ -0.0088362600000000, -0.0070736900000000, -0.0000203900000000 ] - [ 0.0089034200000000, 0.0071229900000000, -0.0001132400000000 ] - [ 0.0106253400000000, 0.0082367600000000, 0.0009311500000000 ] - [ 0.0086775600000000, -0.0070792700000000, 0.0000276400000000 ] - [ 0.0089379200000000, -0.0070295100000000, -0.0000080500000000 ] - [ 0.0192972500000000, 0.1867054000000000, 0.0860445300000000 ] - [ 0.0185646100000000, 0.1869151600000000, 0.0866003800000000 ] - [ 0.0193534700000000, -0.1868517900000000, -0.0863126600000000 ] - [ 0.0194220400000000, -0.1868520100000000, -0.0863621800000000 ] - [ -0.0194133900000000, 0.1868225500000000, -0.0861029000000000 ] - [ -0.0193499600000000, 0.1868452100000000, -0.0861618500000000 ] - [ -0.0195078400000000, -0.1864818200000000, 0.0870588200000000 ] - [ -0.0193776900000000, -0.1867642900000000, 0.0862686900000000 ] - [ -0.0200716100000000, -0.1916226200000000, -0.0812786800000000 ] - [ -0.0193626600000000, -0.1867751600000000, -0.0863323300000000 ] - [ -0.0200282100000000, 0.1863626200000000, 0.0861344500000000 ] - [ -0.0195535000000000, 0.1866435900000000, 0.0859303400000000 ] - [ 0.0194347200000000, -0.1866768000000000, 0.0864758100000000 ] - [ 0.0192913000000000, -0.1867543700000000, 0.0863255300000000 ] - [ 0.0194068400000000, 0.1868396300000000, -0.0861168000000000 ] - [ 0.0194907700000000, 0.1868047000000000, -0.0860903800000000 ] - [ -0.0369061900000000, -0.0848893200000000, -0.1332364900000000 ] - [ -0.0378258400000000, -0.0861083900000000, -0.1324767800000000 ] - [ -0.0379173200000000, 0.0866812400000000, 0.1323716700000000 ] - [ -0.0376835000000000, 0.0862119400000000, 0.1320521500000000 ] - [ 0.0375251700000000, -0.0862665100000000, 0.1323089400000000 ] - [ 0.0375418300000000, -0.0863245400000000, 0.1322962000000000 ] - [ 0.0376781100000000, 0.0862492900000000, -0.1323729300000000 ] - [ 0.0376310900000000, 0.0862503800000000, -0.1323924400000000 ] - [ 0.0370023500000000, 0.0859057900000000, 0.1317342200000000 ] - [ 0.0372719700000000, 0.0864517300000000, 0.1325305900000000 ] - [ 0.0374392700000000, -0.0861416200000000, -0.1323871900000000 ] - [ 0.0364345000000000, -0.0861658000000000, -0.1328641600000000 ] - [ -0.0375995000000000, 0.0861079300000000, -0.1318545300000000 ] - [ -0.0376903100000000, 0.0862218600000000, -0.1322987500000000 ] - [ -0.0377556000000000, -0.0862196000000000, 0.1322601900000000 ] - [ -0.0376547800000000, -0.0861847800000000, 0.1323468900000000 ] - [ 0.0153959700000000, 0.0098257900000000, -0.0250588900000000 ] - [ 0.0197676300000000, 0.0200801200000000, -0.0447975300000000 ] - [ 0.0195465900000000, -0.0203578600000000, 0.0449629100000000 ] - [ 0.0196578800000000, -0.0202555800000000, 0.0449989300000000 ] - [ -0.0194492700000000, 0.0198733500000000, 0.0446147500000000 ] - [ -0.0195559600000000, 0.0202042600000000, 0.0445820700000000 ] - [ -0.0195081400000000, -0.0201668700000000, -0.0448136900000000 ] - [ -0.0194409900000000, -0.0202522700000000, -0.0449318200000000 ] - [ -0.0197640700000000, -0.0203813700000000, 0.0452264000000000 ] - [ -0.0176334100000000, -0.0209190200000000, 0.0445315400000000 ] - [ -0.0189087600000000, 0.0204739100000000, -0.0442911000000000 ] - [ -0.0194025100000000, 0.0220525700000000, -0.0450115300000000 ] - [ 0.0198460100000000, -0.0200514800000000, -0.0448641800000000 ] - [ 0.0195095400000000, -0.0201664700000000, -0.0447891600000000 ] - [ 0.0193106700000000, 0.0201597400000000, 0.0450552400000000 ] - [ 0.0194514600000000, 0.0199434900000000, 0.0446489200000000 ] - [ 0.0442845100000000, -0.1892838100000000, -0.0259548400000000 ] - [ 0.0324233000000000, -0.1870128300000000, 0.0145876200000000 ] - [ 0.0324072300000000, 0.1868540600000000, -0.0142767800000000 ] - [ 0.0324654400000000, 0.1867798900000000, -0.0144828000000000 ] - [ -0.0325224500000000, -0.1866781200000000, -0.0142096100000000 ] - [ -0.0326012500000000, -0.1868195400000000, -0.0140770000000000 ] - [ -0.0325524700000000, 0.1866739600000000, 0.0143097400000000 ] - [ -0.0324132200000000, 0.1868084800000000, 0.0143340300000000 ] - [ -0.0324279000000000, 0.1868843000000000, -0.0146101500000000 ] - [ -0.0328708400000000, 0.1862076000000000, -0.0138647200000000 ] - [ -0.0323959300000000, -0.1867486100000000, 0.0142043200000000 ] - [ -0.0334513800000000, -0.1864121200000000, 0.0145941500000000 ] - [ 0.0324562300000000, 0.1867250800000000, 0.0143680600000000 ] - [ 0.0325308000000000, 0.1867528100000000, 0.0143486100000000 ] - [ 0.0328662200000000, -0.1861546700000000, -0.0131100700000000 ] - [ 0.0325386600000000, -0.1866398700000000, -0.0143440600000000 ] - [ -0.0677547700000000, 0.0564251900000000, 0.0784986700000000 ] - [ -0.0581762400000000, 0.0436609800000000, 0.0650664800000000 ] - [ -0.0587324800000000, -0.0439832200000000, -0.0655193200000000 ] - [ -0.0588759200000000, -0.0438643100000000, -0.0654348200000000 ] - [ 0.0588936600000000, 0.0440617200000000, -0.0654265700000000 ] - [ 0.0588550300000000, 0.0440855200000000, -0.0655603700000000 ] - [ 0.0587794500000000, -0.0438730900000000, 0.0655469400000000 ] - [ 0.0588634600000000, -0.0438840900000000, 0.0654598600000000 ] - [ 0.0587475300000000, -0.0438526600000000, -0.0655585800000000 ] - [ 0.0587988900000000, -0.0433923300000000, -0.0654393900000000 ] - [ 0.0583790200000000, 0.0440334200000000, 0.0655924000000000 ] - [ 0.0584141000000000, 0.0437185900000000, 0.0651047500000000 ] - [ -0.0588129300000000, -0.0438917200000000, 0.0654992400000000 ] - [ -0.0588582900000000, -0.0438634200000000, 0.0654845800000000 ] - [ -0.0586741300000000, 0.0433271300000000, -0.0655302100000000 ] - [ -0.0585779500000000, 0.0440513000000000, -0.0653820000000000 ] - [ 0.0629276000000000, -0.0135501300000000, 0.0028319700000000 ] - [ 0.0583610800000000, -0.0170807300000000, 0.0003183000000000 ] - [ 0.0597412600000000, 0.0164586100000000, -0.0013475200000000 ] - [ 0.0597360300000000, 0.0162896700000000, -0.0014419000000000 ] - [ -0.0595298200000000, -0.0163430800000000, -0.0012225300000000 ] - [ -0.0596848500000000, -0.0164783700000000, -0.0015511600000000 ] - [ -0.0596120100000000, 0.0162653000000000, 0.0008543500000000 ] - [ -0.0596055200000000, 0.0162187900000000, 0.0013902300000000 ] - [ -0.0604253500000000, 0.0175782100000000, -0.0019458900000000 ] - [ -0.0592922200000000, 0.0162851500000000, -0.0013720500000000 ] - [ -0.0594516900000000, -0.0164591400000000, 0.0016156400000000 ] - [ -0.0591492500000000, -0.0167915700000000, 0.0013911600000000 ] - [ 0.0596042300000000, 0.0162676200000000, 0.0014011300000000 ] - [ 0.0596140100000000, 0.0162832400000000, 0.0014595200000000 ] - [ 0.0592031800000000, -0.0165766400000000, -0.0017422800000000 ] - [ 0.0596663400000000, -0.0162586300000000, -0.0014066100000000 ] - [ 0.0138119700000000, 0.0228073400000000, 0.0006175200000000 ] - [ 0.0144685300000000, 0.0236953800000000, 0.0000156700000000 ] - [ 0.0143002700000000, -0.0234914700000000, -0.0001266700000000 ] - [ 0.0142253500000000, -0.0235673700000000, -0.0000674100000000 ] - [ -0.0144255500000000, 0.0231614800000000, -0.0005780600000000 ] - [ -0.0142606800000000, 0.0237925800000000, -0.0000003400000000 ] - [ -0.0138335000000000, -0.0244802300000000, 0.0001026100000000 ] - [ -0.0144242000000000, -0.0236104100000000, 0.0000835100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013071900000000, -0.0005060300000000, -0.0017418600000000 ] - [ -0.0008218300000000, 0.0000615500000000, -0.0000830900000000 ] - [ 0.0008496900000000, 0.0000876400000000, 0.0001427100000000 ] - [ 0.0007930200000000, 0.0000228900000000, 0.0000660700000000 ] - [ 0.0010413600000000, -0.0000504800000000, -0.0001950900000000 ] - [ 0.0007104800000000, -0.0000552100000000, -0.0001378800000000 ] - [ -0.0007130500000000, 0.0000429200000000, -0.0001117400000000 ] - [ -0.0007940200000000, -0.0000178900000000, 0.0000439400000000 ] - [ -0.0088931600000000, 0.0068349500000000, 0.0003293600000000 ] - [ -0.0089017200000000, 0.0070700900000000, 0.0000764100000000 ] - [ -0.0088704300000000, -0.0069932300000000, 0.0001570900000000 ] - [ -0.0088732000000000, -0.0071127100000000, 0.0000201600000000 ] - [ 0.0087983200000000, 0.0070653500000000, 0.0001150000000000 ] - [ 0.0070529100000000, 0.0059294000000000, -0.0009327000000000 ] - [ 0.0090311300000000, -0.0071065500000000, -0.0000272700000000 ] - [ 0.0087720600000000, -0.0071563100000000, 0.0000080200000000 ] - [ 0.0194336800000000, 0.1868637000000000, 0.0864090000000000 ] - [ 0.0201549200000000, 0.1866510200000000, 0.0858585200000000 ] - [ 0.0193740400000000, -0.1867240500000000, -0.0861345500000000 ] - [ 0.0193068100000000, -0.1867243700000000, -0.0860845400000000 ] - [ -0.0193135600000000, 0.1867544000000000, -0.0863453600000000 ] - [ -0.0193780200000000, 0.1867307100000000, -0.0862883200000000 ] - [ -0.0192200000000000, -0.1870919800000000, 0.0853788800000000 ] - [ -0.0193507400000000, -0.1868103400000000, 0.0861765800000000 ] - [ -0.0186357700000000, -0.1820073200000000, -0.0910810500000000 ] - [ -0.0193639300000000, -0.1867998000000000, -0.0861138800000000 ] - [ -0.0187056700000000, 0.1872201000000000, 0.0863169500000000 ] - [ -0.0191733300000000, 0.1869370800000000, 0.0865196500000000 ] - [ 0.0192923200000000, -0.1868960700000000, 0.0859715900000000 ] - [ 0.0194360400000000, -0.1868208800000000, 0.0861195000000000 ] - [ 0.0193206800000000, 0.1867341000000000, -0.0863347800000000 ] - [ 0.0192347100000000, 0.1867720000000000, -0.0863579500000000 ] - [ -0.0383004400000000, -0.0875692700000000, -0.1314594100000000 ] - [ -0.0374064500000000, -0.0863522900000000, -0.1322233700000000 ] - [ -0.0373152600000000, 0.0857815700000000, 0.1323328300000000 ] - [ -0.0375444800000000, 0.0862517900000000, 0.1326512200000000 ] - [ 0.0377057500000000, -0.0861965800000000, 0.1323921400000000 ] - [ 0.0376881000000000, -0.0861392200000000, 0.1324071500000000 ] - [ 0.0375509600000000, 0.0862142500000000, -0.1323297900000000 ] - [ 0.0375979900000000, 0.0862126100000000, -0.1323100000000000 ] - [ 0.0382216300000000, 0.0865518400000000, 0.1329640600000000 ] - [ 0.0379562300000000, 0.0860119900000000, 0.1321722300000000 ] - [ 0.0377897400000000, -0.0863220000000000, -0.1323149000000000 ] - [ 0.0387849200000000, -0.0863159100000000, -0.1318538000000000 ] - [ -0.0376281300000000, 0.0863478200000000, -0.1328510000000000 ] - [ -0.0375392700000000, 0.0862414200000000, -0.1324043300000000 ] - [ -0.0374724200000000, -0.0862423100000000, 0.1324436900000000 ] - [ -0.0375744700000000, -0.0862794400000000, 0.1323535300000000 ] - [ 0.0233944900000000, 0.0298672700000000, -0.0638530000000000 ] - [ 0.0192002400000000, 0.0201564100000000, -0.0446007200000000 ] - [ 0.0194222800000000, -0.0198774200000000, 0.0444427900000000 ] - [ 0.0193102600000000, -0.0199804100000000, 0.0444045400000000 ] - [ -0.0195188700000000, 0.0203589600000000, 0.0447827900000000 ] - [ -0.0194091000000000, 0.0200251800000000, 0.0448180800000000 ] - [ -0.0194595000000000, -0.0200692900000000, -0.0445895900000000 ] - [ -0.0195281700000000, -0.0199825500000000, -0.0444713100000000 ] - [ -0.0192048200000000, -0.0198510700000000, 0.0441773400000000 ] - [ -0.0213300700000000, -0.0193104900000000, 0.0448648700000000 ] - [ -0.0200657200000000, 0.0197655600000000, -0.0451076400000000 ] - [ -0.0195385000000000, 0.0181714000000000, -0.0443958700000000 ] - [ 0.0191242400000000, -0.0201853000000000, -0.0445420400000000 ] - [ 0.0194593800000000, -0.0200689400000000, -0.0446143200000000 ] - [ 0.0196579000000000, 0.0200570800000000, 0.0443256600000000 ] - [ 0.0195175700000000, 0.0202908300000000, 0.0447513100000000 ] - [ 0.0209769000000000, -0.1837212500000000, 0.0541272400000000 ] - [ 0.0325558500000000, -0.1864162400000000, 0.0141380300000000 ] - [ 0.0325757700000000, 0.1865926400000000, -0.0144402300000000 ] - [ 0.0325179800000000, 0.1866670800000000, -0.0142353700000000 ] - [ -0.0324662700000000, -0.1867702800000000, -0.0145043400000000 ] - [ -0.0323849700000000, -0.1866289600000000, -0.0146378000000000 ] - [ -0.0324301500000000, 0.1867728800000000, 0.0144066100000000 ] - [ -0.0325706300000000, 0.1866375800000000, 0.0143835600000000 ] - [ -0.0325570300000000, 0.1865618700000000, -0.0141080800000000 ] - [ -0.0321154900000000, 0.1872333000000000, -0.0148522800000000 ] - [ -0.0325868400000000, -0.1867016000000000, 0.0145124200000000 ] - [ -0.0315441400000000, -0.1870417200000000, 0.0141224800000000 ] - [ 0.0325251300000000, 0.1867237200000000, 0.0143504800000000 ] - [ 0.0324512300000000, 0.1866941200000000, 0.0143696500000000 ] - [ 0.0321286000000000, -0.1872996700000000, -0.0156182300000000 ] - [ 0.0324485800000000, -0.1868083900000000, -0.0143703200000000 ] - [ -0.0499785200000000, 0.0315300200000000, 0.0524865000000000 ] - [ -0.0594252300000000, 0.0441346200000000, 0.0659209400000000 ] - [ -0.0588701900000000, -0.0438222300000000, -0.0654692500000000 ] - [ -0.0587280900000000, -0.0439425200000000, -0.0655529500000000 ] - [ 0.0587077400000000, 0.0437478000000000, -0.0655661300000000 ] - [ 0.0587459400000000, 0.0437232600000000, -0.0654302700000000 ] - [ 0.0588237200000000, -0.0439324000000000, 0.0654411100000000 ] - [ 0.0587414100000000, -0.0439190600000000, 0.0655286800000000 ] - [ 0.0588550600000000, -0.0439536900000000, -0.0654281800000000 ] - [ 0.0588060600000000, -0.0444126100000000, -0.0655478700000000 ] - [ 0.0592120200000000, 0.0437795400000000, 0.0654022300000000 ] - [ 0.0591928100000000, 0.0441071300000000, 0.0658927600000000 ] - [ -0.0587902500000000, -0.0439129600000000, 0.0654883400000000 ] - [ -0.0587451000000000, -0.0439423300000000, 0.0655025300000000 ] - [ -0.0589377400000000, 0.0445015600000000, -0.0654594900000000 ] - [ -0.0590253600000000, 0.0437564500000000, -0.0656116800000000 ] - [ 0.0563305700000000, -0.0190988500000000, -0.0000075300000000 ] - [ 0.0609157000000000, -0.0155548100000000, 0.0025658000000000 ] - [ 0.0595268900000000, 0.0161787900000000, -0.0015326600000000 ] - [ 0.0595336000000000, 0.0163453100000000, -0.0014379700000000 ] - [ -0.0597390400000000, -0.0162959500000000, -0.0016586400000000 ] - [ -0.0595831700000000, -0.0161605400000000, -0.0013300500000000 ] - [ -0.0596560800000000, 0.0163674000000000, 0.0020287800000000 ] - [ -0.0596639100000000, 0.0164169300000000, 0.0014895000000000 ] - [ -0.0588579600000000, 0.0150929000000000, -0.0009716900000000 ] - [ -0.0599757500000000, 0.0163523000000000, -0.0015069000000000 ] - [ -0.0598185300000000, -0.0161889000000000, 0.0012689100000000 ] - [ -0.0601158200000000, -0.0158544200000000, 0.0014878300000000 ] - [ 0.0596661900000000, 0.0163688400000000, 0.0014811900000000 ] - [ 0.0596556200000000, 0.0163512500000000, 0.0014200800000000 ] - [ 0.0600723600000000, -0.0160523800000000, -0.0011322900000000 ] - [ 0.0595991800000000, -0.0163845100000000, -0.0014758400000000 ] - [ 0.0147434400000000, 0.0243660900000000, -0.0006237400000000 ] - [ 0.0140651900000000, 0.0234686000000000, -0.0000165700000000 ] - [ 0.0142353000000000, -0.0236672800000000, 0.0001240100000000 ] - [ 0.0143113800000000, -0.0235905300000000, 0.0000674100000000 ] - [ -0.0141024600000000, 0.0240082800000000, 0.0005783300000000 ] - [ -0.0142730300000000, 0.0233713800000000, 0.0000004500000000 ] - [ -0.0146989600000000, -0.0226981200000000, -0.0000786400000000 ] - [ -0.0141120900000000, -0.0235476000000000, -0.0000834000000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008018600000000, -0.0008408900000000, 0.0022362800000000 ] - [ -0.0004751300000000, 0.0002114600000000, -0.0000649400000000 ] - [ 0.0008306000000000, -0.0000033200000000, -0.0000163100000000 ] - [ 0.0007934600000000, 0.0000184600000000, -0.0000139600000000 ] - [ 0.0009768900000000, 0.0000394700000000, -0.0000904400000000 ] - [ 0.0009568100000000, -0.0002428800000000, -0.0002229700000000 ] - [ -0.0008096200000000, 0.0000039600000000, -0.0000263900000000 ] - [ -0.0007654600000000, 0.0000156400000000, 0.0000192400000000 ] - [ -0.0090920500000000, 0.0074559500000000, -0.0003386800000000 ] - [ -0.0088210500000000, 0.0071480100000000, -0.0000153200000000 ] - [ -0.0088710700000000, -0.0070887800000000, -0.0000181000000000 ] - [ -0.0088394900000000, -0.0070816300000000, -0.0000051300000000 ] - [ 0.0088329200000000, 0.0068491000000000, -0.0000924400000000 ] - [ 0.0082145900000000, 0.0072438400000000, 0.0001521400000000 ] - [ 0.0088576600000000, -0.0070876200000000, -0.0000194200000000 ] - [ 0.0088371800000000, -0.0071181300000000, -0.0000069600000000 ] - [ 0.0191034300000000, 0.1870914500000000, 0.0864802900000000 ] - [ 0.0199335000000000, 0.1883847400000000, 0.0849259500000000 ] - [ 0.0192395300000000, -0.1867032000000000, -0.0863476900000000 ] - [ 0.0194493000000000, -0.1865153200000000, -0.0864991800000000 ] - [ -0.0192502100000000, 0.1868179300000000, -0.0861395800000000 ] - [ -0.0192976300000000, 0.1868252200000000, -0.0862237500000000 ] - [ -0.0193842600000000, -0.1866065100000000, 0.0864779800000000 ] - [ -0.0193867300000000, -0.1867256300000000, 0.0863087000000000 ] - [ -0.0192744500000000, -0.1865797000000000, -0.0863461200000000 ] - [ -0.0194749000000000, -0.1866031900000000, -0.0865627500000000 ] - [ -0.0205593200000000, 0.1867564200000000, 0.0862225800000000 ] - [ -0.0191280500000000, 0.1863757500000000, 0.0857052400000000 ] - [ 0.0193752200000000, -0.1867518000000000, 0.0862274500000000 ] - [ 0.0193894900000000, -0.1867776700000000, 0.0861730000000000 ] - [ 0.0192929100000000, 0.1868320400000000, -0.0860879700000000 ] - [ 0.0194465100000000, 0.1865998500000000, -0.0863475800000000 ] - [ -0.0374025300000000, -0.0869107900000000, -0.1318617900000000 ] - [ -0.0376296900000000, -0.0864284600000000, -0.1328239600000000 ] - [ -0.0375104100000000, 0.0862017100000000, 0.1323971100000000 ] - [ -0.0375018700000000, 0.0861899500000000, 0.1324264600000000 ] - [ 0.0375352600000000, -0.0861774900000000, 0.1322495000000000 ] - [ 0.0374060300000000, -0.0863164100000000, 0.1321097500000000 ] - [ 0.0376486700000000, 0.0862316100000000, -0.1323587700000000 ] - [ 0.0376483300000000, 0.0861884300000000, -0.1323129600000000 ] - [ 0.0376508900000000, 0.0862210300000000, 0.1323751600000000 ] - [ 0.0376894000000000, 0.0861671200000000, 0.1323909700000000 ] - [ 0.0385917000000000, -0.0844626000000000, -0.1334380100000000 ] - [ 0.0380853300000000, -0.0855437200000000, -0.1314260800000000 ] - [ -0.0376048300000000, 0.0862293400000000, -0.1323495700000000 ] - [ -0.0376069400000000, 0.0862537900000000, -0.1323604100000000 ] - [ -0.0375803300000000, -0.0861461200000000, 0.1323852900000000 ] - [ -0.0375796700000000, -0.0861819900000000, 0.1323245400000000 ] - [ 0.0198591800000000, 0.0185255900000000, -0.0427566400000000 ] - [ 0.0194458500000000, 0.0194065800000000, -0.0443564200000000 ] - [ 0.0193742900000000, -0.0205557100000000, 0.0447135500000000 ] - [ 0.0194448200000000, -0.0198861100000000, 0.0443993700000000 ] - [ -0.0194768500000000, 0.0200694800000000, 0.0446850800000000 ] - [ -0.0195321200000000, 0.0200979500000000, 0.0448236900000000 ] - [ -0.0194963200000000, -0.0201745100000000, -0.0448016300000000 ] - [ -0.0195650200000000, -0.0200341900000000, -0.0446253500000000 ] - [ -0.0194660900000000, -0.0200673000000000, 0.0447505700000000 ] - [ -0.0195008500000000, -0.0201131400000000, 0.0448980900000000 ] - [ -0.0167661900000000, 0.0216799100000000, -0.0434492400000000 ] - [ -0.0182793500000000, 0.0195175700000000, -0.0459562800000000 ] - [ 0.0194599000000000, -0.0201404100000000, -0.0447434400000000 ] - [ 0.0194583200000000, -0.0200840400000000, -0.0447110700000000 ] - [ 0.0193336300000000, 0.0197801500000000, 0.0444761800000000 ] - [ 0.0195187900000000, 0.0200418900000000, 0.0446703800000000 ] - [ 0.0451521800000000, -0.2020933900000000, 0.0053726900000000 ] - [ 0.0368052900000000, -0.1865603300000000, 0.0150027700000000 ] - [ 0.0325556000000000, 0.1869147100000000, -0.0144294500000000 ] - [ 0.0326179400000000, 0.1867187700000000, -0.0142852500000000 ] - [ -0.0324623600000000, -0.1867199300000000, -0.0142646000000000 ] - [ -0.0324187900000000, -0.1866963700000000, -0.0143022000000000 ] - [ -0.0324495100000000, 0.1867699100000000, 0.0143807900000000 ] - [ -0.0325381000000000, 0.1866734700000000, 0.0142965100000000 ] - [ -0.0325130800000000, 0.1867954900000000, -0.0144116200000000 ] - [ -0.0324741300000000, 0.1867321700000000, -0.0143579400000000 ] - [ -0.0327037700000000, -0.1876669400000000, 0.0147743200000000 ] - [ -0.0319210400000000, -0.1867635300000000, 0.0147500000000000 ] - [ 0.0324930800000000, 0.1867352200000000, 0.0143466700000000 ] - [ 0.0325043500000000, 0.1867317200000000, 0.0143013900000000 ] - [ 0.0328410800000000, -0.1865437200000000, -0.0144862300000000 ] - [ 0.0324739000000000, -0.1866517600000000, -0.0145826400000000 ] - [ -0.1142959100000000, 0.0456132900000000, 0.0638230500000000 ] - [ -0.0595527200000000, 0.0460235300000000, 0.0664845900000000 ] - [ -0.0590013600000000, -0.0439435400000000, -0.0655385700000000 ] - [ -0.0589630200000000, -0.0439635900000000, -0.0655024400000000 ] - [ 0.0587511500000000, 0.0439747700000000, -0.0655155400000000 ] - [ 0.0586289400000000, 0.0438602300000000, -0.0656287100000000 ] - [ 0.0587943100000000, -0.0439450100000000, 0.0655159000000000 ] - [ 0.0588012000000000, -0.0439195700000000, 0.0655400200000000 ] - [ 0.0588712000000000, -0.0439830900000000, -0.0653915900000000 ] - [ 0.0587231100000000, -0.0438485800000000, -0.0655745800000000 ] - [ 0.0590969700000000, 0.0444207200000000, 0.0656481700000000 ] - [ 0.0583012500000000, 0.0435708100000000, 0.0652054700000000 ] - [ -0.0588139300000000, -0.0439036300000000, 0.0655155100000000 ] - [ -0.0587779100000000, -0.0439088300000000, 0.0654970100000000 ] - [ -0.0590596500000000, 0.0438560200000000, -0.0653380700000000 ] - [ -0.0586896800000000, 0.0439075400000000, -0.0654407100000000 ] - [ 0.0615178200000000, -0.0166087500000000, 0.0006245200000000 ] - [ 0.0885002700000000, -0.0040428100000000, 0.0056286400000000 ] - [ 0.0596927800000000, 0.0162511500000000, -0.0014574200000000 ] - [ 0.0597017800000000, 0.0165017900000000, -0.0015435600000000 ] - [ -0.0598218700000000, -0.0164373100000000, -0.0015316100000000 ] - [ -0.0595896700000000, -0.0164314800000000, -0.0014737900000000 ] - [ -0.0596102100000000, 0.0161958600000000, 0.0013707500000000 ] - [ -0.0595425800000000, 0.0162943700000000, 0.0014043000000000 ] - [ -0.0596330000000000, 0.0163307800000000, -0.0014410700000000 ] - [ -0.0596603900000000, 0.0161617800000000, -0.0013463300000000 ] - [ -0.0598106200000000, -0.0162417600000000, 0.0013904300000000 ] - [ -0.0594894600000000, -0.0166200700000000, 0.0018431800000000 ] - [ 0.0596140900000000, 0.0163288300000000, 0.0014623800000000 ] - [ 0.0596167300000000, 0.0163344500000000, 0.0014284000000000 ] - [ 0.0596842900000000, -0.0165058700000000, -0.0013910300000000 ] - [ 0.0596551200000000, -0.0158757100000000, -0.0013950500000000 ] - [ 0.0143079400000000, 0.0238285400000000, -0.0000964300000000 ] - [ 0.0158005700000000, 0.0216424700000000, 0.0037144400000000 ] - [ 0.0142746800000000, -0.0235735100000000, -0.0000377400000000 ] - [ 0.0142217700000000, -0.0236972500000000, 0.0000169200000000 ] - [ -0.0140436200000000, 0.0236983900000000, 0.0001484400000000 ] - [ -0.0141481300000000, 0.0237746800000000, 0.0000853700000000 ] - [ -0.0142713700000000, -0.0235265200000000, 0.0000647500000000 ] - [ -0.0142972500000000, -0.0234907800000000, -0.0000604500000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023728200000000, 0.0008154900000000, -0.0021880300000000 ] - [ -0.0011388200000000, -0.0002148000000000, 0.0000581800000000 ] - [ 0.0007813700000000, 0.0000031400000000, 0.0000150800000000 ] - [ 0.0008179900000000, -0.0000184100000000, 0.0000131200000000 ] - [ 0.0006380800000000, -0.0000386800000000, 0.0000912700000000 ] - [ 0.0006548800000000, 0.0002490400000000, 0.0002272500000000 ] - [ -0.0008019400000000, -0.0000037000000000, 0.0000260800000000 ] - [ -0.0008458500000000, -0.0000149600000000, -0.0000183100000000 ] - [ -0.0086163100000000, 0.0067234500000000, 0.0003379100000000 ] - [ -0.0088815000000000, 0.0070345200000000, 0.0000135500000000 ] - [ -0.0088333500000000, -0.0070960700000000, 0.0000173100000000 ] - [ -0.0088649800000000, -0.0071029500000000, 0.0000044600000000 ] - [ 0.0088717800000000, 0.0073393700000000, 0.0000976300000000 ] - [ 0.0094910000000000, 0.0069413600000000, -0.0001506700000000 ] - [ 0.0088468000000000, -0.0070963500000000, 0.0000199400000000 ] - [ 0.0088667500000000, -0.0070658000000000, 0.0000076700000000 ] - [ 0.0196144800000000, 0.1864729700000000, 0.0859632000000000 ] - [ 0.0187747600000000, 0.1851683000000000, 0.0875419400000000 ] - [ 0.0194859900000000, -0.1868713100000000, -0.0861039600000000 ] - [ 0.0192730800000000, -0.1870592200000000, -0.0859432300000000 ] - [ -0.0194748500000000, 0.1867562500000000, -0.0863076700000000 ] - [ -0.0194268600000000, 0.1867488200000000, -0.0862246800000000 ] - [ -0.0193433100000000, -0.1869675000000000, 0.0859701300000000 ] - [ -0.0193400600000000, -0.1868499900000000, 0.0861370700000000 ] - [ -0.0194518800000000, -0.1870021000000000, -0.0860903400000000 ] - [ -0.0192508200000000, -0.1869775000000000, -0.0858761400000000 ] - [ -0.0181866100000000, 0.1867971100000000, 0.0862127300000000 ] - [ -0.0195895200000000, 0.1871841500000000, 0.0867307500000000 ] - [ 0.0193521800000000, -0.1868225100000000, 0.0862212100000000 ] - [ 0.0193372000000000, -0.1867956800000000, 0.0862762400000000 ] - [ 0.0194331900000000, 0.1867430400000000, -0.0863573200000000 ] - [ 0.0192796600000000, 0.1869743000000000, -0.0861003900000000 ] - [ -0.0378008300000000, -0.0855559800000000, -0.1328387300000000 ] - [ -0.0375884900000000, -0.0860385100000000, -0.1318868300000000 ] - [ -0.0377169500000000, 0.0862639100000000, 0.1323071600000000 ] - [ -0.0377299700000000, 0.0862783700000000, 0.1322820600000000 ] - [ 0.0376916500000000, -0.0862850400000000, 0.1324533600000000 ] - [ 0.0378174900000000, -0.0861443800000000, 0.1325901900000000 ] - [ 0.0375786000000000, 0.0862317400000000, -0.1323462200000000 ] - [ 0.0375785300000000, 0.0862751600000000, -0.1323917300000000 ] - [ 0.0375751600000000, 0.0862421300000000, 0.1323294600000000 ] - [ 0.0375373100000000, 0.0862944400000000, 0.1323165100000000 ] - [ 0.0367801500000000, -0.0879538800000000, -0.1312641500000000 ] - [ 0.0371362300000000, -0.0869182100000000, -0.1332786300000000 ] - [ -0.0376229100000000, 0.0862329800000000, -0.1323542200000000 ] - [ -0.0376208100000000, 0.0862087400000000, -0.1323435500000000 ] - [ -0.0376479700000000, -0.0863154300000000, 0.1323194500000000 ] - [ -0.0376469600000000, -0.0862810300000000, 0.1323801200000000 ] - [ 0.0191140700000000, 0.0217331600000000, -0.0466815200000000 ] - [ 0.0195065700000000, 0.0208547200000000, -0.0450865000000000 ] - [ 0.0195994600000000, -0.0196905200000000, 0.0446998000000000 ] - [ 0.0195249800000000, -0.0203508800000000, 0.0450055100000000 ] - [ -0.0194936200000000, 0.0201630600000000, 0.0447166000000000 ] - [ -0.0194396600000000, 0.0201344300000000, 0.0445771900000000 ] - [ -0.0194726700000000, -0.0200596900000000, -0.0446008000000000 ] - [ -0.0194033500000000, -0.0201995500000000, -0.0447748800000000 ] - [ -0.0194977800000000, -0.0201638600000000, 0.0446451600000000 ] - [ -0.0194638500000000, -0.0201146800000000, 0.0444893800000000 ] - [ -0.0221411200000000, 0.0185901700000000, -0.0459305900000000 ] - [ -0.0207963100000000, 0.0207829200000000, -0.0434201800000000 ] - [ 0.0195105200000000, -0.0200926500000000, -0.0446588000000000 ] - [ 0.0195113000000000, -0.0201485500000000, -0.0446906500000000 ] - [ 0.0196350600000000, 0.0204500900000000, 0.0449232700000000 ] - [ 0.0194495100000000, 0.0201935100000000, 0.0447326600000000 ] - [ 0.0200782100000000, -0.1718338300000000, 0.0231521300000000 ] - [ 0.0280288400000000, -0.1869254900000000, 0.0137551400000000 ] - [ 0.0324291000000000, 0.1865351000000000, -0.0142937600000000 ] - [ 0.0323665000000000, 0.1867285500000000, -0.0144348900000000 ] - [ -0.0325239100000000, -0.1867245700000000, -0.0144519700000000 ] - [ -0.0325677100000000, -0.1867489000000000, -0.0144129400000000 ] - [ -0.0325347700000000, 0.1866757300000000, 0.0143382900000000 ] - [ -0.0324470400000000, 0.1867715900000000, 0.0144208500000000 ] - [ -0.0324730600000000, 0.1866455700000000, -0.0143061300000000 ] - [ -0.0325145000000000, 0.1867048700000000, -0.0143527700000000 ] - [ -0.0322877200000000, -0.1857911600000000, 0.0139429500000000 ] - [ -0.0330570000000000, -0.1866868100000000, 0.0139730200000000 ] - [ 0.0324912500000000, 0.1867106800000000, 0.0143718200000000 ] - [ 0.0324803200000000, 0.1867135100000000, 0.0144167700000000 ] - [ 0.0321437700000000, -0.1868994500000000, -0.0142244100000000 ] - [ 0.0325116300000000, -0.1867905200000000, -0.0141370300000000 ] - [ -0.0021941900000000, 0.0431635100000000, 0.0676640500000000 ] - [ -0.0580202900000000, 0.0417527100000000, 0.0644947500000000 ] - [ -0.0586023100000000, -0.0438637300000000, -0.0654513800000000 ] - [ -0.0586394800000000, -0.0438432800000000, -0.0654866900000000 ] - [ 0.0588516400000000, 0.0438324700000000, -0.0654741200000000 ] - [ 0.0589723300000000, 0.0439493500000000, -0.0653612200000000 ] - [ 0.0588079300000000, -0.0438612900000000, 0.0654728300000000 ] - [ 0.0588009600000000, -0.0438863200000000, 0.0654485800000000 ] - [ 0.0587283600000000, -0.0438210900000000, -0.0655984800000000 ] - [ 0.0588751200000000, -0.0439524200000000, -0.0654143800000000 ] - [ 0.0585021300000000, 0.0433956100000000, 0.0653545800000000 ] - [ 0.0592975500000000, 0.0442399500000000, 0.0657842600000000 ] - [ -0.0587888600000000, -0.0439027400000000, 0.0654730300000000 ] - [ -0.0588244900000000, -0.0438974800000000, 0.0654913400000000 ] - [ -0.0585375900000000, 0.0439502800000000, -0.0656501500000000 ] - [ -0.0589071300000000, 0.0438977600000000, -0.0655484700000000 ] - [ 0.0577236800000000, -0.0160309200000000, 0.0022526200000000 ] - [ 0.0294894700000000, -0.0290914000000000, -0.0031104900000000 ] - [ 0.0595805300000000, 0.0163853000000000, -0.0014229500000000 ] - [ 0.0595710400000000, 0.0161343000000000, -0.0013354200000000 ] - [ -0.0594495500000000, -0.0162027900000000, -0.0013435700000000 ] - [ -0.0596824900000000, -0.0162066600000000, -0.0014066500000000 ] - [ -0.0596625000000000, 0.0164406400000000, 0.0015090500000000 ] - [ -0.0597297100000000, 0.0163429200000000, 0.0014759900000000 ] - [ -0.0596400200000000, 0.0163090200000000, -0.0014417800000000 ] - [ -0.0596104300000000, 0.0164775200000000, -0.0015340000000000 ] - [ -0.0594607600000000, -0.0163977900000000, 0.0014820100000000 ] - [ -0.0597866900000000, -0.0160220100000000, 0.0010384100000000 ] - [ 0.0596591400000000, 0.0163076800000000, 0.0014182100000000 ] - [ 0.0596557900000000, 0.0163016900000000, 0.0014518800000000 ] - [ 0.0595858500000000, -0.0161312300000000, -0.0014857400000000 ] - [ 0.0596078800000000, -0.0167584300000000, -0.0014822900000000 ] - [ 0.0142321800000000, 0.0233297300000000, 0.0000943000000000 ] - [ 0.0127091000000000, 0.0255130000000000, -0.0037447600000000 ] - [ 0.0142605800000000, -0.0235857900000000, 0.0000372500000000 ] - [ 0.0143132700000000, -0.0234611000000000, -0.0000184500000000 ] - [ -0.0144890300000000, 0.0234613300000000, -0.0001453200000000 ] - [ -0.0143853800000000, 0.0233854600000000, -0.0000837000000000 ] - [ -0.0142633200000000, -0.0236366400000000, -0.0000621400000000 ] - [ -0.0142372300000000, -0.0236724600000000, 0.0000600500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020129500000000, 0.0005821500000000, -0.0014191600000000 ] - [ -0.0007836400000000, 0.0000535300000000, -0.0001078200000000 ] - [ 0.0007912100000000, -0.0000154600000000, 0.0000190000000000 ] - [ 0.0008241600000000, -0.0000125100000000, 0.0000300400000000 ] - [ 0.0008950500000000, 0.0000494900000000, 0.0000161300000000 ] - [ 0.0006504200000000, 0.0002468200000000, 0.0001710800000000 ] - [ -0.0007963500000000, 0.0000271000000000, 0.0000374800000000 ] - [ -0.0007893100000000, 0.0000374800000000, 0.0000778300000000 ] - [ -0.0083197700000000, 0.0086260200000000, -0.0022570600000000 ] - [ -0.0088688200000000, 0.0070000800000000, -0.0001526200000000 ] - [ -0.0088552800000000, -0.0071006600000000, 0.0000437300000000 ] - [ -0.0088693800000000, -0.0070916900000000, 0.0000217700000000 ] - [ 0.0086054900000000, 0.0071702900000000, 0.0000063600000000 ] - [ 0.0092879300000000, 0.0075903000000000, 0.0001722900000000 ] - [ 0.0088426900000000, -0.0070845300000000, 0.0000266500000000 ] - [ 0.0088746200000000, -0.0070984800000000, 0.0000703100000000 ] - [ 0.0197162500000000, 0.1868995400000000, 0.0860649000000000 ] - [ 0.0192992400000000, 0.1879190300000000, 0.0867706700000000 ] - [ 0.0195254400000000, -0.1866764700000000, -0.0863895300000000 ] - [ 0.0192731800000000, -0.1869755700000000, -0.0859515000000000 ] - [ -0.0193695600000000, 0.1867474200000000, -0.0863431200000000 ] - [ -0.0192044300000000, 0.1868066500000000, -0.0862285400000000 ] - [ -0.0193251400000000, -0.1869648700000000, 0.0859315400000000 ] - [ -0.0192805400000000, -0.1868603300000000, 0.0860644000000000 ] - [ -0.0199703500000000, -0.1869416200000000, -0.0865258200000000 ] - [ -0.0192250700000000, -0.1867789900000000, -0.0863826500000000 ] - [ -0.0180595900000000, 0.1884184900000000, 0.0870708200000000 ] - [ -0.0209536500000000, 0.1878528800000000, 0.0869573900000000 ] - [ 0.0193635800000000, -0.1868260400000000, 0.0861698500000000 ] - [ 0.0193254500000000, -0.1867680000000000, 0.0862152100000000 ] - [ 0.0193717000000000, 0.1868221100000000, -0.0862302300000000 ] - [ 0.0194670000000000, 0.1866766000000000, -0.0863328800000000 ] - [ -0.0369480500000000, -0.0868707800000000, -0.1327686200000000 ] - [ -0.0372210000000000, -0.0858596300000000, -0.1328127900000000 ] - [ -0.0376860800000000, 0.0861368500000000, 0.1323055100000000 ] - [ -0.0374786300000000, 0.0862101300000000, 0.1317393900000000 ] - [ 0.0377296500000000, -0.0861736900000000, 0.1323668300000000 ] - [ 0.0376882700000000, -0.0861538300000000, 0.1323263400000000 ] - [ 0.0375892300000000, 0.0862106900000000, -0.1323632500000000 ] - [ 0.0375953500000000, 0.0862424200000000, -0.1324177400000000 ] - [ 0.0375542200000000, 0.0861827800000000, 0.1321851800000000 ] - [ 0.0375829900000000, 0.0861581000000000, 0.1323654400000000 ] - [ 0.0388745800000000, -0.0855862400000000, -0.1340524800000000 ] - [ 0.0395301400000000, -0.0884781100000000, -0.1332351400000000 ] - [ -0.0376596400000000, 0.0861987200000000, -0.1323490200000000 ] - [ -0.0375924900000000, 0.0862063300000000, -0.1324096200000000 ] - [ -0.0375826700000000, -0.0863792300000000, 0.1323916300000000 ] - [ -0.0375473900000000, -0.0862781000000000, 0.1323852900000000 ] - [ 0.0198744400000000, 0.0244444300000000, -0.0467020700000000 ] - [ 0.0193271600000000, 0.0199938800000000, -0.0441509600000000 ] - [ 0.0198765700000000, -0.0203589400000000, 0.0448149400000000 ] - [ 0.0191845200000000, -0.0202349700000000, 0.0446570500000000 ] - [ -0.0196095100000000, 0.0201200800000000, 0.0447917500000000 ] - [ -0.0195724400000000, 0.0201414800000000, 0.0446937700000000 ] - [ -0.0195014300000000, -0.0200937800000000, -0.0446648500000000 ] - [ -0.0193826700000000, -0.0201019400000000, -0.0445785300000000 ] - [ -0.0195494600000000, -0.0200979700000000, 0.0446777600000000 ] - [ -0.0193086000000000, -0.0200041700000000, 0.0441553100000000 ] - [ -0.0181417100000000, 0.0209214000000000, -0.0435034100000000 ] - [ -0.0202742400000000, 0.0199511900000000, -0.0449809600000000 ] - [ 0.0194783200000000, -0.0200070600000000, -0.0445967400000000 ] - [ 0.0194118300000000, -0.0200429900000000, -0.0446814900000000 ] - [ 0.0193623400000000, 0.0204037900000000, 0.0449151300000000 ] - [ 0.0194390500000000, 0.0202011100000000, 0.0448924300000000 ] - [ 0.0183356300000000, -0.1565284200000000, 0.0265481300000000 ] - [ 0.0348357900000000, -0.1856586700000000, 0.0141298100000000 ] - [ 0.0323561300000000, 0.1867624200000000, -0.0144399900000000 ] - [ 0.0323895200000000, 0.1867373200000000, -0.0143198600000000 ] - [ -0.0324393500000000, -0.1867387300000000, -0.0145184200000000 ] - [ -0.0325774200000000, -0.1867166600000000, -0.0145432400000000 ] - [ -0.0325190200000000, 0.1867203600000000, 0.0143298200000000 ] - [ -0.0325358500000000, 0.1867284200000000, 0.0143418200000000 ] - [ -0.0323811100000000, 0.1866601400000000, -0.0143090800000000 ] - [ -0.0328746200000000, 0.1862842100000000, -0.0138507800000000 ] - [ -0.0327711900000000, -0.1867703600000000, 0.0144909000000000 ] - [ -0.0330172500000000, -0.1865171600000000, 0.0141670100000000 ] - [ 0.0325461200000000, 0.1866997100000000, 0.0143488000000000 ] - [ 0.0325380300000000, 0.1867232500000000, 0.0143203400000000 ] - [ 0.0325103900000000, -0.1868179700000000, -0.0137721400000000 ] - [ 0.0324938700000000, -0.1866932800000000, -0.0145105300000000 ] - [ -0.0579071900000000, -0.0043630300000000, 0.0564054600000000 ] - [ -0.0566586300000000, 0.0440622300000000, 0.0660955800000000 ] - [ -0.0587604000000000, -0.0439383200000000, -0.0655108500000000 ] - [ -0.0587405800000000, -0.0439198400000000, -0.0655430600000000 ] - [ 0.0587297400000000, 0.0438878000000000, -0.0654413200000000 ] - [ 0.0588462200000000, 0.0439041700000000, -0.0654177100000000 ] - [ 0.0587586400000000, -0.0439171200000000, 0.0654883600000000 ] - [ 0.0587843200000000, -0.0439431300000000, 0.0654887800000000 ] - [ 0.0587194300000000, -0.0438724400000000, -0.0654322800000000 ] - [ 0.0588536900000000, -0.0434459400000000, -0.0657613000000000 ] - [ 0.0582904600000000, 0.0439613600000000, 0.0658064700000000 ] - [ 0.0591405200000000, 0.0438852500000000, 0.0656819200000000 ] - [ -0.0588000900000000, -0.0439244400000000, 0.0654994800000000 ] - [ -0.0587950400000000, -0.0439322700000000, 0.0654764100000000 ] - [ -0.0588472100000000, 0.0436107800000000, -0.0655316100000000 ] - [ -0.0587965600000000, 0.0438388500000000, -0.0655111000000000 ] - [ 0.0540806800000000, -0.0187690300000000, 0.0005765300000000 ] - [ 0.0719708400000000, -0.0064794300000000, 0.0049928800000000 ] - [ 0.0596257800000000, 0.0163431200000000, -0.0013845700000000 ] - [ 0.0595992100000000, 0.0162244500000000, -0.0013441100000000 ] - [ -0.0595596200000000, -0.0162069200000000, -0.0013852000000000 ] - [ -0.0596561800000000, -0.0163918200000000, -0.0015183300000000 ] - [ -0.0596795700000000, 0.0164765200000000, 0.0015583300000000 ] - [ -0.0596366300000000, 0.0163933200000000, 0.0014064000000000 ] - [ -0.0594652800000000, 0.0161618200000000, -0.0013934400000000 ] - [ -0.0594591200000000, 0.0163606500000000, -0.0014056100000000 ] - [ -0.0591566800000000, -0.0157607900000000, 0.0009157200000000 ] - [ -0.0597524000000000, -0.0159858100000000, 0.0013762200000000 ] - [ 0.0596502000000000, 0.0163802300000000, 0.0014375400000000 ] - [ 0.0596744300000000, 0.0163458800000000, 0.0014803900000000 ] - [ 0.0594583500000000, -0.0162523300000000, -0.0014430600000000 ] - [ 0.0598140800000000, -0.0158555500000000, -0.0012033100000000 ] - [ 0.0143165700000000, 0.0234576000000000, -0.0001455100000000 ] - [ 0.0127103300000000, 0.0226377200000000, -0.0000117100000000 ] - [ 0.0142854200000000, -0.0235798700000000, 0.0000659100000000 ] - [ 0.0142547100000000, -0.0235320600000000, -0.0000034000000000 ] - [ -0.0144252000000000, 0.0234477400000000, 0.0000540100000000 ] - [ -0.0141845800000000, 0.0236551000000000, -0.0000785400000000 ] - [ -0.0142777500000000, -0.0235640600000000, 0.0000046900000000 ] - [ -0.0143668000000000, -0.0236076600000000, 0.0002297100000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004004700000000, -0.0005719600000000, 0.0014105200000000 ] - [ -0.0008287400000000, -0.0000541600000000, 0.0001084100000000 ] - [ 0.0008201600000000, 0.0000154000000000, -0.0000191800000000 ] - [ 0.0007874500000000, 0.0000125900000000, -0.0000299000000000 ] - [ 0.0007175000000000, -0.0000489500000000, -0.0000174900000000 ] - [ 0.0009585400000000, -0.0002385900000000, -0.0001702300000000 ] - [ -0.0008149000000000, -0.0000269800000000, -0.0000373800000000 ] - [ -0.0008222400000000, -0.0000373500000000, -0.0000777200000000 ] - [ -0.0093726100000000, 0.0056030200000000, 0.0021993300000000 ] - [ -0.0088362900000000, 0.0071862200000000, 0.0001520900000000 ] - [ -0.0088488000000000, -0.0070844500000000, -0.0000446900000000 ] - [ -0.0088353100000000, -0.0070923200000000, -0.0000217800000000 ] - [ 0.0090961400000000, 0.0070131200000000, -0.0000056500000000 ] - [ 0.0084204900000000, 0.0065931100000000, -0.0001691400000000 ] - [ 0.0088608400000000, -0.0071000100000000, -0.0000262000000000 ] - [ 0.0088310200000000, -0.0070859900000000, -0.0000695000000000 ] - [ 0.0190091200000000, 0.1866715700000000, 0.0863845500000000 ] - [ 0.0194238200000000, 0.1856244400000000, 0.0856872100000000 ] - [ 0.0192034400000000, -0.1868979400000000, -0.0860579600000000 ] - [ 0.0194545400000000, -0.1866132700000000, -0.0864813100000000 ] - [ -0.0193577000000000, 0.1868267700000000, -0.0861047700000000 ] - [ -0.0195235100000000, 0.1867683800000000, -0.0862190100000000 ] - [ -0.0194017000000000, -0.1866100800000000, 0.0865154300000000 ] - [ -0.0194450400000000, -0.1867160200000000, 0.0863806600000000 ] - [ -0.0187454800000000, -0.1866499500000000, -0.0858906200000000 ] - [ -0.0194991300000000, -0.1867969300000000, -0.0860659800000000 ] - [ -0.0206545200000000, 0.1851888100000000, 0.0853961400000000 ] - [ -0.0177760400000000, 0.1857306500000000, 0.0854990200000000 ] - [ 0.0193631800000000, -0.1867481300000000, 0.0862778200000000 ] - [ 0.0194012500000000, -0.1868062700000000, 0.0862325000000000 ] - [ 0.0193549300000000, 0.1867538100000000, -0.0862173500000000 ] - [ 0.0192606900000000, 0.1868987300000000, -0.0861143600000000 ] - [ -0.0382817800000000, -0.0856012100000000, -0.1319228600000000 ] - [ -0.0380188100000000, -0.0866101700000000, -0.1318870200000000 ] - [ -0.0375439900000000, 0.0863273500000000, 0.1323988200000000 ] - [ -0.0377479900000000, 0.0862570800000000, 0.1329498900000000 ] - [ 0.0374962100000000, -0.0862907000000000, 0.1323382300000000 ] - [ 0.0375381900000000, -0.0863090800000000, 0.1323785800000000 ] - [ 0.0376379700000000, 0.0862525200000000, -0.1323408900000000 ] - [ 0.0376315200000000, 0.0862211000000000, -0.1322869500000000 ] - [ 0.0376715600000000, 0.0862774800000000, 0.1325178900000000 ] - [ 0.0376413200000000, 0.0863057900000000, 0.1323388900000000 ] - [ 0.0364174200000000, -0.0868621000000000, -0.1306474200000000 ] - [ 0.0356960900000000, -0.0839983900000000, -0.1314730800000000 ] - [ -0.0375664200000000, 0.0862626300000000, -0.1323545100000000 ] - [ -0.0376345000000000, 0.0862569100000000, -0.1322947600000000 ] - [ -0.0376453900000000, -0.0860852900000000, 0.1323137400000000 ] - [ -0.0376806400000000, -0.0861850200000000, 0.1323193500000000 ] - [ 0.0191143800000000, 0.0157434200000000, -0.0427391800000000 ] - [ 0.0196422700000000, 0.0202392300000000, -0.0452508600000000 ] - [ 0.0190959200000000, -0.0198736400000000, 0.0445856600000000 ] - [ 0.0197791500000000, -0.0199990500000000, 0.0447390800000000 ] - [ -0.0193569300000000, 0.0201132400000000, 0.0446093100000000 ] - [ -0.0193959800000000, 0.0200935300000000, 0.0447077600000000 ] - [ -0.0194676400000000, -0.0201401900000000, -0.0447362300000000 ] - [ -0.0195852300000000, -0.0201316200000000, -0.0448224400000000 ] - [ -0.0194210000000000, -0.0201318400000000, 0.0447228500000000 ] - [ -0.0196579200000000, -0.0202291900000000, 0.0452432700000000 ] - [ -0.0208485200000000, 0.0193259100000000, -0.0459046500000000 ] - [ -0.0187157600000000, 0.0203414100000000, -0.0444425600000000 ] - [ 0.0194914100000000, -0.0202263500000000, -0.0448041500000000 ] - [ 0.0195563800000000, -0.0201914500000000, -0.0447196600000000 ] - [ 0.0196050300000000, 0.0198300300000000, 0.0444843800000000 ] - [ 0.0195300900000000, 0.0200325700000000, 0.0445102700000000 ] - [ 0.0474318800000000, -0.2179000900000000, 0.0016422500000000 ] - [ 0.0301480500000000, -0.1877831900000000, 0.0145990600000000 ] - [ 0.0326286500000000, 0.1866834300000000, -0.0142791600000000 ] - [ 0.0325952000000000, 0.1867071800000000, -0.0143980000000000 ] - [ -0.0325454300000000, -0.1867057300000000, -0.0142002200000000 ] - [ -0.0324070200000000, -0.1867280300000000, -0.0141767200000000 ] - [ -0.0324659000000000, 0.1867249900000000, 0.0143891800000000 ] - [ -0.0324484800000000, 0.1867173100000000, 0.0143772500000000 ] - [ -0.0326032100000000, 0.1867835500000000, -0.0144104200000000 ] - [ -0.0321079100000000, 0.1871628800000000, -0.0148711100000000 ] - [ -0.0322173100000000, -0.1866796000000000, 0.0142328800000000 ] - [ -0.0319801600000000, -0.1869275700000000, 0.0145511400000000 ] - [ 0.0324383600000000, 0.1867456200000000, 0.0143702300000000 ] - [ 0.0324469200000000, 0.1867226500000000, 0.0143994300000000 ] - [ 0.0324711200000000, -0.1866242000000000, -0.0149420600000000 ] - [ 0.0324908400000000, -0.1867509900000000, -0.0142112600000000 ] - [ -0.0603700300000000, 0.0930473200000000, 0.0752332200000000 ] - [ -0.0609295900000000, 0.0437514500000000, 0.0648980000000000 ] - [ -0.0588406700000000, -0.0438660900000000, -0.0654799900000000 ] - [ -0.0588613300000000, -0.0438870700000000, -0.0654459800000000 ] - [ 0.0588718000000000, 0.0439179700000000, -0.0655474900000000 ] - [ 0.0587563400000000, 0.0439018800000000, -0.0655715400000000 ] - [ 0.0588426500000000, -0.0438889000000000, 0.0655005600000000 ] - [ 0.0588183600000000, -0.0438627400000000, 0.0654997500000000 ] - [ 0.0588816800000000, -0.0439320400000000, -0.0655569500000000 ] - [ 0.0587503800000000, -0.0443631500000000, -0.0652271900000000 ] - [ 0.0593152600000000, 0.0438461200000000, 0.0651821500000000 ] - [ 0.0584712900000000, 0.0439351200000000, 0.0653154100000000 ] - [ -0.0588015000000000, -0.0438810300000000, 0.0654895900000000 ] - [ -0.0588070800000000, -0.0438736300000000, 0.0655121600000000 ] - [ -0.0587528700000000, 0.0441947200000000, -0.0654578700000000 ] - [ -0.0588061800000000, 0.0439680800000000, -0.0654773100000000 ] - [ 0.0651808700000000, -0.0138626300000000, 0.0023007600000000 ] - [ 0.0471359900000000, -0.0261477400000000, -0.0021958800000000 ] - [ 0.0596477900000000, 0.0162957600000000, -0.0014951000000000 ] - [ 0.0596730700000000, 0.0164117400000000, -0.0015366700000000 ] - [ -0.0597103900000000, -0.0164266800000000, -0.0014900300000000 ] - [ -0.0596168600000000, -0.0162442500000000, -0.0013626800000000 ] - [ -0.0595933100000000, 0.0161613800000000, 0.0013210300000000 ] - [ -0.0596365100000000, 0.0162444500000000, 0.0014752900000000 ] - [ -0.0598128300000000, 0.0164896100000000, -0.0014947300000000 ] - [ -0.0598125600000000, 0.0162739000000000, -0.0014773500000000 ] - [ -0.0601107400000000, -0.0168776400000000, 0.0019600500000000 ] - [ -0.0595215500000000, -0.0166444100000000, 0.0015006300000000 ] - [ 0.0596223500000000, 0.0162575800000000, 0.0014439100000000 ] - [ 0.0595983000000000, 0.0162899800000000, 0.0014003700000000 ] - [ 0.0598140800000000, -0.0163859600000000, -0.0014405300000000 ] - [ 0.0594557700000000, -0.0167832600000000, -0.0016761700000000 ] - [ 0.0142175900000000, 0.0237000700000000, 0.0001518500000000 ] - [ 0.0158332300000000, 0.0245250900000000, 0.0000089800000000 ] - [ 0.0142496600000000, -0.0235808000000000, -0.0000677400000000 ] - [ 0.0142806400000000, -0.0236270400000000, 0.0000038600000000 ] - [ -0.0141106800000000, 0.0237051300000000, -0.0000546500000000 ] - [ -0.0143515900000000, 0.0235042000000000, 0.0000790500000000 ] - [ -0.0142552300000000, -0.0236046400000000, -0.0000010900000000 ] - [ -0.0141691500000000, -0.0235522700000000, -0.0002263100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015718000000000, -0.0015028400000000, 0.0026109500000000 ] - [ -0.0007559900000000, 0.0000208800000000, -0.0000559200000000 ] - [ 0.0008195600000000, 0.0000146300000000, -0.0000052700000000 ] - [ 0.0007938500000000, 0.0000140000000000, -0.0000034900000000 ] - [ 0.0008984500000000, -0.0000990400000000, 0.0000026900000000 ] - [ 0.0006042000000000, 0.0000165600000000, 0.0000650700000000 ] - [ -0.0007783100000000, -0.0000037400000000, -0.0000163300000000 ] - [ -0.0008069600000000, -0.0000224000000000, -0.0000233100000000 ] - [ -0.0094196800000000, 0.0048242900000000, 0.0024423500000000 ] - [ -0.0089748400000000, 0.0072384600000000, 0.0001115300000000 ] - [ -0.0088533600000000, -0.0070850000000000, -0.0000218200000000 ] - [ -0.0088505800000000, -0.0071022100000000, -0.0000277600000000 ] - [ 0.0088415200000000, 0.0070571600000000, -0.0000083900000000 ] - [ 0.0088202600000000, 0.0071057500000000, 0.0000702900000000 ] - [ 0.0088774000000000, -0.0070986300000000, -0.0000238300000000 ] - [ 0.0088337800000000, -0.0070759100000000, -0.0000467700000000 ] - [ 0.0191317300000000, 0.1869528300000000, 0.0859626900000000 ] - [ 0.0187025600000000, 0.1870716200000000, 0.0858884000000000 ] - [ 0.0193115400000000, -0.1867634600000000, -0.0863755400000000 ] - [ 0.0191746400000000, -0.1864633500000000, -0.0865687700000000 ] - [ -0.0194337800000000, 0.1867625100000000, -0.0862175600000000 ] - [ -0.0195057600000000, 0.1867815300000000, -0.0862177100000000 ] - [ -0.0193740500000000, -0.1867249000000000, 0.0863796200000000 ] - [ -0.0193793200000000, -0.1867206100000000, 0.0863423900000000 ] - [ -0.0191255000000000, -0.1863270900000000, -0.0864662200000000 ] - [ -0.0192741400000000, -0.1867274600000000, -0.0863785200000000 ] - [ -0.0188410400000000, 0.1876687600000000, 0.0863578600000000 ] - [ -0.0181411100000000, 0.1876298200000000, 0.0863248700000000 ] - [ 0.0193392100000000, -0.1867209200000000, 0.0862443100000000 ] - [ 0.0193583400000000, -0.1867879700000000, 0.0862129600000000 ] - [ 0.0193323000000000, 0.1867900700000000, -0.0861362100000000 ] - [ 0.0192721700000000, 0.1868270000000000, -0.0861725400000000 ] - [ -0.0365028400000000, -0.0874791800000000, -0.1321778100000000 ] - [ -0.0378885100000000, -0.0869269600000000, -0.1321145600000000 ] - [ -0.0376669100000000, 0.0861898800000000, 0.1323583700000000 ] - [ -0.0375902700000000, 0.0861436700000000, 0.1331409400000000 ] - [ 0.0375668000000000, -0.0862058300000000, 0.1323215500000000 ] - [ 0.0375779100000000, -0.0863777700000000, 0.1324042900000000 ] - [ 0.0376156700000000, 0.0862171700000000, -0.1323518700000000 ] - [ 0.0376235200000000, 0.0862250000000000, -0.1323676500000000 ] - [ 0.0377446400000000, 0.0862120800000000, 0.1324469600000000 ] - [ 0.0375318200000000, 0.0863055100000000, 0.1323255600000000 ] - [ 0.0373174400000000, -0.0872964300000000, -0.1326344300000000 ] - [ 0.0385432500000000, -0.0871011700000000, -0.1327388500000000 ] - [ -0.0376420700000000, 0.0862315400000000, -0.1323571200000000 ] - [ -0.0376405500000000, 0.0862652500000000, -0.1323280600000000 ] - [ -0.0375167000000000, -0.0862093300000000, 0.1323847400000000 ] - [ -0.0375420700000000, -0.0861770200000000, 0.1323492000000000 ] - [ 0.0200891800000000, 0.0199212900000000, -0.0478986900000000 ] - [ 0.0197614800000000, 0.0196714100000000, -0.0445289300000000 ] - [ 0.0195756000000000, -0.0203021500000000, 0.0448291000000000 ] - [ 0.0197190800000000, -0.0198933200000000, 0.0443393100000000 ] - [ -0.0193911800000000, 0.0200858200000000, 0.0446178200000000 ] - [ -0.0193050800000000, 0.0200653300000000, 0.0447094000000000 ] - [ -0.0195234600000000, -0.0201634400000000, -0.0447661800000000 ] - [ -0.0194432500000000, -0.0201171900000000, -0.0447016500000000 ] - [ -0.0195886700000000, -0.0200639300000000, 0.0447625900000000 ] - [ -0.0196768800000000, -0.0198799100000000, 0.0444787400000000 ] - [ -0.0208586600000000, 0.0202191100000000, -0.0442593900000000 ] - [ -0.0203658600000000, 0.0194542600000000, -0.0413578700000000 ] - [ 0.0194834300000000, -0.0201457400000000, -0.0447323400000000 ] - [ 0.0195024500000000, -0.0201563800000000, -0.0447147200000000 ] - [ 0.0194502900000000, 0.0200696400000000, 0.0446164900000000 ] - [ 0.0195251400000000, 0.0200372300000000, 0.0445151100000000 ] - [ 0.0237832300000000, -0.1731155500000000, 0.0273882000000000 ] - [ 0.0337193400000000, -0.1868923900000000, 0.0139280400000000 ] - [ 0.0324786600000000, 0.1868238900000000, -0.0143831500000000 ] - [ 0.0324970800000000, 0.1867173300000000, -0.0142988600000000 ] - [ -0.0324583200000000, -0.1866299900000000, -0.0142910500000000 ] - [ -0.0322730700000000, -0.1865384900000000, -0.0144250900000000 ] - [ -0.0324203700000000, 0.1867807300000000, 0.0144120600000000 ] - [ -0.0325016400000000, 0.1867402200000000, 0.0143248400000000 ] - [ -0.0325909800000000, 0.1867139700000000, -0.0144249600000000 ] - [ -0.0324014500000000, 0.1866639800000000, -0.0143036900000000 ] - [ -0.0328718600000000, -0.1872965100000000, 0.0144586500000000 ] - [ -0.0328529800000000, -0.1875541600000000, 0.0139685300000000 ] - [ 0.0325112500000000, 0.1867316700000000, 0.0143647500000000 ] - [ 0.0325016700000000, 0.1867323900000000, 0.0143501100000000 ] - [ 0.0326667300000000, -0.1868713100000000, -0.0143915400000000 ] - [ 0.0323992500000000, -0.1867071900000000, -0.0142447900000000 ] - [ -0.0607740900000000, 0.0345111500000000, 0.0392641300000000 ] - [ -0.0578058000000000, 0.0445125400000000, 0.0659656600000000 ] - [ -0.0587568800000000, -0.0439188900000000, -0.0654320300000000 ] - [ -0.0587927400000000, -0.0439515300000000, -0.0655332300000000 ] - [ 0.0587800700000000, 0.0438493700000000, -0.0654623900000000 ] - [ 0.0586676800000000, 0.0438261700000000, -0.0654887500000000 ] - [ 0.0587792700000000, -0.0438965300000000, 0.0655136600000000 ] - [ 0.0587551800000000, -0.0438978600000000, 0.0654969300000000 ] - [ 0.0589053900000000, -0.0438409100000000, -0.0654446400000000 ] - [ 0.0587206200000000, -0.0441695300000000, -0.0654195400000000 ] - [ 0.0586561500000000, 0.0442163500000000, 0.0658620700000000 ] - [ 0.0590907300000000, 0.0440901700000000, 0.0659712000000000 ] - [ -0.0587796200000000, -0.0439079800000000, 0.0655213900000000 ] - [ -0.0587981400000000, -0.0438850400000000, 0.0655125500000000 ] - [ -0.0589571000000000, 0.0439404600000000, -0.0653815100000000 ] - [ -0.0588554600000000, 0.0439201500000000, -0.0654634700000000 ] - [ 0.0573351100000000, -0.0177228200000000, 0.0010188000000000 ] - [ 0.0659578400000000, -0.0126806600000000, 0.0080501100000000 ] - [ 0.0596284100000000, 0.0162483700000000, -0.0015138600000000 ] - [ 0.0596295200000000, 0.0162480700000000, -0.0014546200000000 ] - [ -0.0596565800000000, -0.0163450600000000, -0.0014252800000000 ] - [ -0.0596808700000000, -0.0162443800000000, -0.0013744400000000 ] - [ -0.0596156500000000, 0.0162441200000000, 0.0013976600000000 ] - [ -0.0596085900000000, 0.0162631300000000, 0.0013810800000000 ] - [ -0.0595745800000000, 0.0162990800000000, -0.0012240400000000 ] - [ -0.0597813000000000, 0.0163902400000000, -0.0013679300000000 ] - [ -0.0594730600000000, -0.0162077900000000, 0.0011610200000000 ] - [ -0.0600789700000000, -0.0165543100000000, 0.0015826700000000 ] - [ 0.0596171000000000, 0.0163193900000000, 0.0014545900000000 ] - [ 0.0596007100000000, 0.0162874300000000, 0.0014290200000000 ] - [ 0.0598086900000000, -0.0162753300000000, -0.0014987100000000 ] - [ 0.0600361600000000, -0.0167538500000000, -0.0019949800000000 ] - [ 0.0139579800000000, 0.0233522400000000, 0.0000545100000000 ] - [ 0.0166229400000000, 0.0238943600000000, 0.0018001100000000 ] - [ 0.0142417900000000, -0.0235626800000000, -0.0000371200000000 ] - [ 0.0142809000000000, -0.0235155300000000, 0.0000206200000000 ] - [ -0.0141762200000000, 0.0237041200000000, 0.0001085100000000 ] - [ -0.0142078100000000, 0.0235318300000000, 0.0000080800000000 ] - [ -0.0143034600000000, -0.0234649300000000, -0.0001173500000000 ] - [ -0.0142354800000000, -0.0235205200000000, -0.0001926100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0031216700000000, 0.0014746900000000, -0.0025596900000000 ] - [ -0.0008559600000000, -0.0000195800000000, 0.0000602600000000 ] - [ 0.0007917500000000, -0.0000146700000000, 0.0000053000000000 ] - [ 0.0008172400000000, -0.0000138000000000, 0.0000032800000000 ] - [ 0.0007142900000000, 0.0000973800000000, -0.0000029900000000 ] - [ 0.0010057900000000, -0.0000193600000000, -0.0000652200000000 ] - [ -0.0008326300000000, 0.0000038700000000, 0.0000158300000000 ] - [ -0.0008048000000000, 0.0000222500000000, 0.0000228400000000 ] - [ -0.0082673200000000, 0.0094253100000000, -0.0024992600000000 ] - [ -0.0087289800000000, 0.0069466500000000, -0.0001107600000000 ] - [ -0.0088494500000000, -0.0070991400000000, 0.0000217500000000 ] - [ -0.0088524000000000, -0.0070823100000000, 0.0000274300000000 ] - [ 0.0088589200000000, 0.0071250600000000, 0.0000070300000000 ] - [ 0.0088845700000000, 0.0070799200000000, -0.0000683300000000 ] - [ 0.0088257000000000, -0.0070858200000000, 0.0000233900000000 ] - [ 0.0088687900000000, -0.0071080500000000, 0.0000459700000000 ] - [ 0.0195963600000000, 0.1866252900000000, 0.0864842100000000 ] - [ 0.0200294900000000, 0.1865253400000000, 0.0865637200000000 ] - [ 0.0194128600000000, -0.1868128600000000, -0.0860713800000000 ] - [ 0.0195472400000000, -0.1871105200000000, -0.0858814300000000 ] - [ -0.0192944400000000, 0.1868125800000000, -0.0862306300000000 ] - [ -0.0192219200000000, 0.1867926900000000, -0.0862306500000000 ] - [ -0.0193521300000000, -0.1868490100000000, 0.0860694400000000 ] - [ -0.0193483500000000, -0.1868535200000000, 0.0861060400000000 ] - [ -0.0196053700000000, -0.1872465700000000, -0.0859918000000000 ] - [ -0.0194530800000000, -0.1868451500000000, -0.0860724100000000 ] - [ -0.0198877000000000, 0.1859072800000000, 0.0860926800000000 ] - [ -0.0205560100000000, 0.1859680300000000, 0.0861313800000000 ] - [ 0.0193869700000000, -0.1868555300000000, 0.0862025500000000 ] - [ 0.0193682900000000, -0.1867873700000000, 0.0862341800000000 ] - [ 0.0193940800000000, 0.1867866300000000, -0.0863097300000000 ] - [ 0.0194544200000000, 0.1867497900000000, -0.0862733700000000 ] - [ -0.0387303300000000, -0.0849846100000000, -0.1325282800000000 ] - [ -0.0373534800000000, -0.0855493000000000, -0.1325946000000000 ] - [ -0.0375608400000000, 0.0862731800000000, 0.1323462400000000 ] - [ -0.0376389300000000, 0.0863194500000000, 0.1315771200000000 ] - [ 0.0376580400000000, -0.0862574800000000, 0.1323855400000000 ] - [ 0.0376477500000000, -0.0860833800000000, 0.1323032700000000 ] - [ 0.0376110000000000, 0.0862458400000000, -0.1323531600000000 ] - [ 0.0376040100000000, 0.0862379200000000, -0.1323376100000000 ] - [ 0.0374828700000000, 0.0862516500000000, 0.1322571500000000 ] - [ 0.0376950300000000, 0.0861593600000000, 0.1323772800000000 ] - [ 0.0378995100000000, -0.0851944600000000, -0.1320282800000000 ] - [ 0.0366985100000000, -0.0853562900000000, -0.1319613400000000 ] - [ -0.0375852200000000, 0.0862319500000000, -0.1323484700000000 ] - [ -0.0375863900000000, 0.0861981800000000, -0.1323772000000000 ] - [ -0.0377094700000000, -0.0862554900000000, 0.1323199000000000 ] - [ -0.0376849900000000, -0.0862856300000000, 0.1323553500000000 ] - [ 0.0188894800000000, 0.0202984400000000, -0.0414758800000000 ] - [ 0.0192169100000000, 0.0205520800000000, -0.0448584900000000 ] - [ 0.0193962300000000, -0.0199297600000000, 0.0445725900000000 ] - [ 0.0192525000000000, -0.0203332700000000, 0.0450550200000000 ] - [ -0.0195748800000000, 0.0201494600000000, 0.0447829600000000 ] - [ -0.0196622200000000, 0.0201682700000000, 0.0446913200000000 ] - [ -0.0194447400000000, -0.0200713300000000, -0.0446362100000000 ] - [ -0.0195253500000000, -0.0201169400000000, -0.0447013400000000 ] - [ -0.0193818800000000, -0.0201718500000000, 0.0446420700000000 ] - [ -0.0192909400000000, -0.0203510300000000, 0.0449229500000000 ] - [ -0.0181537300000000, 0.0200040300000000, -0.0451763200000000 ] - [ -0.0186453700000000, 0.0208184000000000, -0.0480169800000000 ] - [ 0.0194851400000000, -0.0200879500000000, -0.0446691400000000 ] - [ 0.0194658500000000, -0.0200778500000000, -0.0446867200000000 ] - [ 0.0195156000000000, 0.0201613300000000, 0.0447839400000000 ] - [ 0.0194432400000000, 0.0201955300000000, 0.0448850500000000 ] - [ 0.0412873500000000, -0.2004513900000000, 0.0013752800000000 ] - [ 0.0313119500000000, -0.1865408400000000, 0.0147820600000000 ] - [ 0.0325055900000000, 0.1866212000000000, -0.0143339700000000 ] - [ 0.0324886800000000, 0.1867261900000000, -0.0144178000000000 ] - [ -0.0325252200000000, -0.1868160100000000, -0.0144297500000000 ] - [ -0.0327106300000000, -0.1869071400000000, -0.0142943500000000 ] - [ -0.0325644300000000, 0.1866657300000000, 0.0143075200000000 ] - [ -0.0324828500000000, 0.1867063300000000, 0.0143948600000000 ] - [ -0.0323933600000000, 0.1867333500000000, -0.0142950700000000 ] - [ -0.0325842400000000, 0.1867766600000000, -0.0144130200000000 ] - [ -0.0321165800000000, -0.1861540300000000, 0.0142681100000000 ] - [ -0.0321364300000000, -0.1858984200000000, 0.0147556000000000 ] - [ 0.0324747700000000, 0.1867142400000000, 0.0143547900000000 ] - [ 0.0324829200000000, 0.1867136400000000, 0.0143691700000000 ] - [ 0.0323215900000000, -0.1865714600000000, -0.0143196300000000 ] - [ 0.0325857300000000, -0.1867370200000000, -0.0144739000000000 ] - [ -0.0569410100000000, 0.0533292500000000, 0.0915484100000000 ] - [ -0.0597960400000000, 0.0433150200000000, 0.0650335800000000 ] - [ -0.0588440500000000, -0.0438883700000000, -0.0655564900000000 ] - [ -0.0588084400000000, -0.0438546500000000, -0.0654556000000000 ] - [ 0.0588215900000000, 0.0439556600000000, -0.0655263400000000 ] - [ 0.0589352400000000, 0.0439799600000000, -0.0654991900000000 ] - [ 0.0588228200000000, -0.0439094700000000, 0.0654752400000000 ] - [ 0.0588466800000000, -0.0439090700000000, 0.0654916000000000 ] - [ 0.0586985000000000, -0.0439658200000000, -0.0655438600000000 ] - [ 0.0588808500000000, -0.0436359200000000, -0.0655660000000000 ] - [ 0.0589499400000000, 0.0435922200000000, 0.0651236600000000 ] - [ 0.0585122500000000, 0.0437238200000000, 0.0650210300000000 ] - [ -0.0588221900000000, -0.0438983700000000, 0.0654671200000000 ] - [ -0.0588038200000000, -0.0439207300000000, 0.0654761900000000 ] - [ -0.0586452900000000, 0.0438665100000000, -0.0656031800000000 ] - [ -0.0587479500000000, 0.0438866400000000, -0.0655255100000000 ] - [ 0.0619230000000000, -0.0149245900000000, 0.0018592400000000 ] - [ 0.0533039800000000, -0.0199612200000000, -0.0051229000000000 ] - [ 0.0596436200000000, 0.0163890100000000, -0.0013697100000000 ] - [ 0.0596415500000000, 0.0163878700000000, -0.0014258300000000 ] - [ -0.0596148300000000, -0.0162900000000000, -0.0014545200000000 ] - [ -0.0595925600000000, -0.0163899700000000, -0.0015060100000000 ] - [ -0.0596571600000000, 0.0163929300000000, 0.0014817600000000 ] - [ -0.0596641200000000, 0.0163722300000000, 0.0014986100000000 ] - [ -0.0597015200000000, 0.0163377700000000, -0.0016580200000000 ] - [ -0.0594917200000000, 0.0162465500000000, -0.0015110900000000 ] - [ -0.0597946500000000, -0.0164294600000000, 0.0017153300000000 ] - [ -0.0591935800000000, -0.0160830200000000, 0.0013048200000000 ] - [ 0.0596554400000000, 0.0163170400000000, 0.0014256700000000 ] - [ 0.0596716900000000, 0.0163485800000000, 0.0014514300000000 ] - [ 0.0594643800000000, -0.0163611500000000, -0.0013830400000000 ] - [ 0.0592410200000000, -0.0158884500000000, -0.0008903300000000 ] - [ 0.0145825200000000, 0.0238070900000000, -0.0000656500000000 ] - [ 0.0118907200000000, 0.0232727800000000, -0.0018055500000000 ] - [ 0.0142933400000000, -0.0235979100000000, 0.0000376900000000 ] - [ 0.0142553500000000, -0.0236427700000000, -0.0000203900000000 ] - [ -0.0143616000000000, 0.0234565500000000, -0.0001096600000000 ] - [ -0.0143265100000000, 0.0236270100000000, -0.0000095700000000 ] - [ -0.0142296500000000, -0.0236948600000000, 0.0001200400000000 ] - [ -0.0143000900000000, -0.0236376700000000, 0.0001898100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002530100000000, -0.0002842100000000, -0.0018146100000000 ] - [ -0.0003151700000000, -0.0003234400000000, 0.0006176900000000 ] - [ 0.0007714000000000, -0.0000314600000000, -0.0000060000000000 ] - [ 0.0008378300000000, -0.0000060900000000, 0.0000148000000000 ] - [ 0.0008717700000000, 0.0000451100000000, -0.0000658300000000 ] - [ 0.0007101400000000, 0.0001300700000000, 0.0000309300000000 ] - [ -0.0007915300000000, 0.0000366900000000, 0.0000744100000000 ] - [ -0.0008512000000000, 0.0000107600000000, 0.0000631700000000 ] - [ -0.0086537500000000, 0.0068786500000000, 0.0000942700000000 ] - [ -0.0090123000000000, 0.0074857000000000, -0.0005406100000000 ] - [ -0.0088477600000000, -0.0071326700000000, -0.0000003900000000 ] - [ -0.0088132600000000, -0.0070531200000000, 0.0000856500000000 ] - [ 0.0088303500000000, 0.0064429100000000, -0.0006096800000000 ] - [ 0.0092467600000000, 0.0075640800000000, 0.0002775500000000 ] - [ 0.0087929600000000, -0.0071041500000000, 0.0000852200000000 ] - [ 0.0088961200000000, -0.0070861200000000, 0.0000495000000000 ] - [ 0.0206037600000000, 0.1854234400000000, 0.0872743600000000 ] - [ 0.0195790700000000, 0.1863522000000000, 0.0862436300000000 ] - [ 0.0195554300000000, -0.1869594400000000, -0.0859939300000000 ] - [ 0.0193780700000000, -0.1868168700000000, -0.0862637800000000 ] - [ -0.0193926800000000, 0.1868502300000000, -0.0863053300000000 ] - [ -0.0193598400000000, 0.1868136800000000, -0.0862178400000000 ] - [ -0.0193669400000000, -0.1869502500000000, 0.0859713000000000 ] - [ -0.0193824600000000, -0.1867668200000000, 0.0861498300000000 ] - [ -0.0193278600000000, -0.1878382200000000, -0.0844384000000000 ] - [ -0.0195025500000000, -0.1864584700000000, -0.0869052100000000 ] - [ -0.0199860400000000, 0.1839899800000000, 0.0849408800000000 ] - [ -0.0189168000000000, 0.1872020800000000, 0.0863877200000000 ] - [ 0.0194438400000000, -0.1868302400000000, 0.0863106300000000 ] - [ 0.0193245600000000, -0.1867997600000000, 0.0861997300000000 ] - [ 0.0195920200000000, 0.1866055800000000, -0.0862867600000000 ] - [ 0.0193396600000000, 0.1868015200000000, -0.0861377000000000 ] - [ -0.0378502200000000, -0.0857171100000000, -0.1324813600000000 ] - [ -0.0372659500000000, -0.0859265900000000, -0.1325770300000000 ] - [ -0.0379510400000000, 0.0863092800000000, 0.1320785100000000 ] - [ -0.0374932100000000, 0.0862851600000000, 0.1324596000000000 ] - [ 0.0374363000000000, -0.0864443000000000, 0.1326803200000000 ] - [ 0.0378078700000000, -0.0862100700000000, 0.1322898100000000 ] - [ 0.0375700600000000, 0.0862395100000000, -0.1323834800000000 ] - [ 0.0375694400000000, 0.0862625200000000, -0.1323894100000000 ] - [ 0.0376164400000000, 0.0861554700000000, 0.1323068100000000 ] - [ 0.0375045000000000, 0.0863647700000000, 0.1324105800000000 ] - [ 0.0395878000000000, -0.0861382500000000, -0.1335158100000000 ] - [ 0.0406168400000000, -0.0853360100000000, -0.1322124800000000 ] - [ -0.0376034600000000, 0.0861172300000000, -0.1322526000000000 ] - [ -0.0376107500000000, 0.0862607300000000, -0.1323877100000000 ] - [ -0.0376937100000000, -0.0862962600000000, 0.1323627400000000 ] - [ -0.0376408700000000, -0.0861711100000000, 0.1322985200000000 ] - [ 0.0187493100000000, 0.0235060600000000, -0.0489481500000000 ] - [ 0.0194587100000000, 0.0194961700000000, -0.0435266800000000 ] - [ 0.0194462200000000, -0.0205126800000000, 0.0454405200000000 ] - [ 0.0194592200000000, -0.0201223100000000, 0.0446847800000000 ] - [ -0.0195876000000000, 0.0200548100000000, 0.0449267400000000 ] - [ -0.0196816500000000, 0.0201526900000000, 0.0447460800000000 ] - [ -0.0195016300000000, -0.0200550700000000, -0.0446190700000000 ] - [ -0.0193914300000000, -0.0201506900000000, -0.0447029100000000 ] - [ -0.0195517400000000, -0.0206209100000000, 0.0458927800000000 ] - [ -0.0189026300000000, -0.0200303100000000, 0.0440872700000000 ] - [ -0.0203514600000000, 0.0208434800000000, -0.0438532500000000 ] - [ -0.0183516500000000, 0.0199914000000000, -0.0442437500000000 ] - [ 0.0195411300000000, -0.0199440400000000, -0.0446305000000000 ] - [ 0.0193961500000000, -0.0200627300000000, -0.0446507800000000 ] - [ 0.0195358500000000, 0.0203548500000000, 0.0449418600000000 ] - [ 0.0195435300000000, 0.0200857500000000, 0.0447956100000000 ] - [ 0.0334212900000000, -0.1846701100000000, 0.0176304300000000 ] - [ 0.0357627200000000, -0.1883644100000000, 0.0130665600000000 ] - [ 0.0323551000000000, 0.1868973400000000, -0.0144638500000000 ] - [ 0.0325259300000000, 0.1866177200000000, -0.0144577100000000 ] - [ -0.0323765700000000, -0.1867370400000000, -0.0142533600000000 ] - [ -0.0324577800000000, -0.1867821000000000, -0.0144104300000000 ] - [ -0.0325246100000000, 0.1867160300000000, 0.0143373300000000 ] - [ -0.0325097300000000, 0.1867379900000000, 0.0143292400000000 ] - [ -0.0324368700000000, 0.1870302000000000, -0.0151335400000000 ] - [ -0.0327093300000000, 0.1863610000000000, -0.0140187600000000 ] - [ -0.0320654800000000, -0.1864061300000000, 0.0141725900000000 ] - [ -0.0322668300000000, -0.1862074900000000, 0.0138815600000000 ] - [ 0.0325118400000000, 0.1866370900000000, 0.0143277700000000 ] - [ 0.0324741500000000, 0.1867309400000000, 0.0143379800000000 ] - [ 0.0326092900000000, -0.1868416800000000, -0.0139248300000000 ] - [ 0.0324891800000000, -0.1867825500000000, -0.0143904300000000 ] - [ -0.0569184300000000, 0.0383923200000000, 0.0632190000000000 ] - [ -0.0286440900000000, 0.0566175900000000, 0.0720348100000000 ] - [ -0.0587447000000000, -0.0438916400000000, -0.0654872700000000 ] - [ -0.0587355800000000, -0.0438661300000000, -0.0654904700000000 ] - [ 0.0586134100000000, 0.0438266200000000, -0.0655144400000000 ] - [ 0.0588468700000000, 0.0439215700000000, -0.0655367700000000 ] - [ 0.0588268000000000, -0.0439460100000000, 0.0654733500000000 ] - [ 0.0588940900000000, -0.0439026200000000, 0.0654674200000000 ] - [ 0.0588045100000000, -0.0437293400000000, -0.0654314300000000 ] - [ 0.0587762300000000, -0.0437281300000000, -0.0656397700000000 ] - [ 0.0586292900000000, 0.0434281800000000, 0.0653350700000000 ] - [ 0.0589485400000000, 0.0440150100000000, 0.0659327200000000 ] - [ -0.0588234500000000, -0.0439163600000000, 0.0654756000000000 ] - [ -0.0588202200000000, -0.0439405600000000, 0.0654593500000000 ] - [ -0.0587533600000000, 0.0437262800000000, -0.0656656400000000 ] - [ -0.0587771900000000, 0.0440819400000000, -0.0658887400000000 ] - [ 0.0097432200000000, -0.0209647500000000, -0.0075929000000000 ] - [ 0.0599033600000000, -0.0152418200000000, 0.0026043800000000 ] - [ 0.0595743800000000, 0.0163327600000000, -0.0013361100000000 ] - [ 0.0596901600000000, 0.0162358000000000, -0.0014244400000000 ] - [ -0.0595858900000000, -0.0163500000000000, -0.0013194600000000 ] - [ -0.0597155900000000, -0.0163119700000000, -0.0014474200000000 ] - [ -0.0597482800000000, 0.0164650600000000, 0.0014902000000000 ] - [ -0.0596609500000000, 0.0163443600000000, 0.0015049200000000 ] - [ -0.0599210400000000, 0.0167117200000000, -0.0017790200000000 ] - [ -0.0592551200000000, 0.0160831500000000, -0.0012532200000000 ] - [ -0.0596586600000000, -0.0158938400000000, 0.0011909300000000 ] - [ -0.0598118800000000, -0.0162747000000000, 0.0015073800000000 ] - [ 0.0596499100000000, 0.0164004800000000, 0.0014400300000000 ] - [ 0.0596852100000000, 0.0162816400000000, 0.0014396400000000 ] - [ 0.0587874200000000, -0.0148686700000000, -0.0007740700000000 ] - [ 0.0596954800000000, -0.0162339300000000, -0.0014239000000000 ] - [ 0.0208043500000000, 0.0185283300000000, 0.0041267200000000 ] - [ 0.0140691400000000, 0.0234392400000000, -0.0000868800000000 ] - [ 0.0142619100000000, -0.0235723400000000, -0.0000275000000000 ] - [ 0.0142336600000000, -0.0235377600000000, 0.0000681700000000 ] - [ -0.0142709200000000, 0.0234284100000000, -0.0001103400000000 ] - [ -0.0142804100000000, 0.0234543600000000, -0.0000161000000000 ] - [ -0.0141440600000000, -0.0239598000000000, 0.0001639800000000 ] - [ -0.0143813600000000, -0.0234540400000000, -0.0000310500000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013709500000000, 0.0002903400000000, 0.0018512500000000 ] - [ -0.0013009000000000, 0.0003317100000000, -0.0006236000000000 ] - [ 0.0008388700000000, 0.0000318900000000, 0.0000076700000000 ] - [ 0.0007720200000000, 0.0000060400000000, -0.0000138200000000 ] - [ 0.0007368800000000, -0.0000499200000000, 0.0000643600000000 ] - [ 0.0009000600000000, -0.0001337700000000, -0.0000331300000000 ] - [ -0.0008194300000000, -0.0000375700000000, -0.0000744200000000 ] - [ -0.0007590600000000, -0.0000112000000000, -0.0000630900000000 ] - [ -0.0090515100000000, 0.0073085600000000, -0.0000943200000000 ] - [ -0.0086922500000000, 0.0066988400000000, 0.0005424500000000 ] - [ -0.0088572700000000, -0.0070512700000000, 0.0000013400000000 ] - [ -0.0088914100000000, -0.0071316900000000, -0.0000860200000000 ] - [ 0.0088775100000000, 0.0077312300000000, 0.0006012600000000 ] - [ 0.0084490100000000, 0.0066120000000000, -0.0002841800000000 ] - [ 0.0089121000000000, -0.0070804700000000, -0.0000858000000000 ] - [ 0.0088076500000000, -0.0070991900000000, -0.0000498300000000 ] - [ 0.0181388100000000, 0.1881242800000000, 0.0852313200000000 ] - [ 0.0191471000000000, 0.1872295800000000, 0.0862064500000000 ] - [ 0.0191728400000000, -0.1866173200000000, -0.0864543700000000 ] - [ 0.0193466800000000, -0.1867593600000000, -0.0861826300000000 ] - [ -0.0193341000000000, 0.1867201500000000, -0.0861445200000000 ] - [ -0.0193694700000000, 0.1867608100000000, -0.0862292100000000 ] - [ -0.0193594300000000, -0.1866227600000000, 0.0864783700000000 ] - [ -0.0193443200000000, -0.1868088600000000, 0.0862975600000000 ] - [ -0.0193978500000000, -0.1857204600000000, -0.0880376400000000 ] - [ -0.0192269500000000, -0.1871173400000000, -0.0855435800000000 ] - [ -0.0186704000000000, 0.1896303800000000, 0.0875409900000000 ] - [ -0.0198020300000000, 0.1863623500000000, 0.0860632700000000 ] - [ 0.0192792500000000, -0.1867460700000000, 0.0861332000000000 ] - [ 0.0194029400000000, -0.1867756000000000, 0.0862469400000000 ] - [ 0.0191343500000000, 0.1869712900000000, -0.0861565500000000 ] - [ 0.0193880600000000, 0.1867730900000000, -0.0863099300000000 ] - [ -0.0373857500000000, -0.0867462400000000, -0.1322336800000000 ] - [ -0.0379639400000000, -0.0865489600000000, -0.1321271900000000 ] - [ -0.0372734900000000, 0.0861528400000000, 0.1326314300000000 ] - [ -0.0377342400000000, 0.0861775900000000, 0.1322445200000000 ] - [ 0.0377843700000000, -0.0860093100000000, 0.1320333900000000 ] - [ 0.0374153100000000, -0.0862543600000000, 0.1324170300000000 ] - [ 0.0376568000000000, 0.0862229100000000, -0.1323208600000000 ] - [ 0.0376579800000000, 0.0861999600000000, -0.1323140300000000 ] - [ 0.0376119300000000, 0.0863079500000000, 0.1323938000000000 ] - [ 0.0377261200000000, 0.0860982600000000, 0.1322924500000000 ] - [ 0.0356107400000000, -0.0862463800000000, -0.1311636800000000 ] - [ 0.0347396300000000, -0.0870804400000000, -0.1324407900000000 ] - [ -0.0376233700000000, 0.0863480200000000, -0.1324544000000000 ] - [ -0.0376161600000000, 0.0862021700000000, -0.1323164500000000 ] - [ -0.0375313800000000, -0.0861667200000000, 0.1323418000000000 ] - [ -0.0375845900000000, -0.0862924000000000, 0.1324058900000000 ] - [ 0.0202207700000000, 0.0166669000000000, -0.0403737700000000 ] - [ 0.0195120200000000, 0.0207362900000000, -0.0458676300000000 ] - [ 0.0195214100000000, -0.0197081900000000, 0.0439410600000000 ] - [ 0.0195117800000000, -0.0201082700000000, 0.0447075700000000 ] - [ -0.0193781900000000, 0.0201834000000000, 0.0444764500000000 ] - [ -0.0192836900000000, 0.0200827800000000, 0.0446538000000000 ] - [ -0.0194675500000000, -0.0201797000000000, -0.0447831100000000 ] - [ -0.0195789600000000, -0.0200831200000000, -0.0446959200000000 ] - [ -0.0194058700000000, -0.0195968400000000, 0.0434787200000000 ] - [ -0.0200791800000000, -0.0202030400000000, 0.0453204400000000 ] - [ -0.0186465500000000, 0.0193692800000000, -0.0455617500000000 ] - [ -0.0207336100000000, 0.0202041000000000, -0.0452123000000000 ] - [ 0.0194246700000000, -0.0202917900000000, -0.0447688300000000 ] - [ 0.0195736500000000, -0.0201723000000000, -0.0447498300000000 ] - [ 0.0194317100000000, 0.0198767800000000, 0.0444560800000000 ] - [ 0.0194247600000000, 0.0201504800000000, 0.0446035300000000 ] - [ 0.0314482500000000, -0.1888063500000000, 0.0110368400000000 ] - [ 0.0293463300000000, -0.1850901200000000, 0.0156254300000000 ] - [ 0.0326321600000000, 0.1865443400000000, -0.0142518800000000 ] - [ 0.0324599600000000, 0.1868276000000000, -0.0142574900000000 ] - [ -0.0326031100000000, -0.1867101700000000, -0.0144672100000000 ] - [ -0.0325228500000000, -0.1866633400000000, -0.0143128600000000 ] - [ -0.0324606700000000, 0.1867302800000000, 0.0143835500000000 ] - [ -0.0324756600000000, 0.1867071600000000, 0.0143900400000000 ] - [ -0.0325550400000000, 0.1864020700000000, -0.0135687900000000 ] - [ -0.0322714300000000, 0.1870899900000000, -0.0147048200000000 ] - [ -0.0329280700000000, -0.1870470900000000, 0.0145431900000000 ] - [ -0.0327228800000000, -0.1872422800000000, 0.0148519500000000 ] - [ 0.0324752000000000, 0.1868092800000000, 0.0143922200000000 ] - [ 0.0325112700000000, 0.1867150100000000, 0.0143825000000000 ] - [ 0.0323710100000000, -0.1866021000000000, -0.0147985000000000 ] - [ 0.0324933100000000, -0.1866617000000000, -0.0143278600000000 ] - [ -0.0607127100000000, 0.0494925000000000, 0.0678076300000000 ] - [ -0.0876546100000000, 0.0317739000000000, 0.0593742500000000 ] - [ -0.0588569100000000, -0.0439141700000000, -0.0655022100000000 ] - [ -0.0588662900000000, -0.0439403300000000, -0.0655022600000000 ] - [ 0.0589862200000000, 0.0439768500000000, -0.0654733000000000 ] - [ 0.0587541600000000, 0.0438818900000000, -0.0654491700000000 ] - [ 0.0587749800000000, -0.0438603700000000, 0.0655148800000000 ] - [ 0.0587070800000000, -0.0439032100000000, 0.0655226900000000 ] - [ 0.0587978900000000, -0.0440772000000000, -0.0655581200000000 ] - [ 0.0588265600000000, -0.0440820000000000, -0.0653499800000000 ] - [ 0.0589793100000000, 0.0443818000000000, 0.0656574100000000 ] - [ 0.0586518000000000, 0.0437833600000000, 0.0650477900000000 ] - [ -0.0587783400000000, -0.0438891700000000, 0.0655138000000000 ] - [ -0.0587810000000000, -0.0438650400000000, 0.0655302200000000 ] - [ -0.0588516400000000, 0.0440817400000000, -0.0653219900000000 ] - [ -0.0588243800000000, 0.0437231000000000, -0.0650942200000000 ] - [ 0.1082512700000000, -0.0123071700000000, 0.0100185800000000 ] - [ 0.0593244000000000, -0.0174258800000000, 0.0002624200000000 ] - [ 0.0596964200000000, 0.0163045900000000, -0.0015465700000000 ] - [ 0.0595811100000000, 0.0164051800000000, -0.0014589900000000 ] - [ -0.0596883500000000, -0.0162857500000000, -0.0015646100000000 ] - [ -0.0595566700000000, -0.0163242000000000, -0.0014353500000000 ] - [ -0.0595242800000000, 0.0161724000000000, 0.0013906000000000 ] - [ -0.0596113100000000, 0.0162951800000000, 0.0013765900000000 ] - [ -0.0593454300000000, 0.0159207900000000, -0.0010984200000000 ] - [ -0.0600224100000000, 0.0165551100000000, -0.0016300600000000 ] - [ -0.0596065800000000, -0.0167372900000000, 0.0017012000000000 ] - [ -0.0594521900000000, -0.0163578200000000, 0.0013726800000000 ] - [ 0.0596221000000000, 0.0162377400000000, 0.0014414300000000 ] - [ 0.0595865700000000, 0.0163577500000000, 0.0014421600000000 ] - [ 0.0604840500000000, -0.0177758000000000, -0.0021109500000000 ] - [ 0.0595762700000000, -0.0164063300000000, -0.0014619200000000 ] - [ 0.0077689300000000, 0.0286523600000000, -0.0041799000000000 ] - [ 0.0144658200000000, 0.0237222200000000, 0.0000864700000000 ] - [ 0.0142737400000000, -0.0235885400000000, 0.0000279200000000 ] - [ 0.0143014500000000, -0.0236236800000000, -0.0000688200000000 ] - [ -0.0142671300000000, 0.0237297400000000, 0.0001051100000000 ] - [ -0.0142565800000000, 0.0237052300000000, 0.0000170500000000 ] - [ -0.0143918000000000, -0.0231968500000000, -0.0001643200000000 ] - [ -0.0141531600000000, -0.0237065400000000, 0.0000304900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012477000000000, -0.0004954800000000, 0.0005775400000000 ] - [ -0.0005813300000000, -0.0001960400000000, 0.0004523900000000 ] - [ 0.0008142200000000, 0.0000606100000000, -0.0000483700000000 ] - [ 0.0008060400000000, 0.0000228200000000, -0.0000574100000000 ] - [ 0.0007278900000000, 0.0003213400000000, 0.0002997200000000 ] - [ 0.0009246100000000, -0.0000857500000000, 0.0000366000000000 ] - [ -0.0008843300000000, -0.0000756800000000, -0.0002263500000000 ] - [ -0.0007460100000000, -0.0000215300000000, -0.0001046900000000 ] - [ -0.0094536800000000, 0.0074765300000000, 0.0002320100000000 ] - [ -0.0082874400000000, 0.0076041000000000, -0.0001719600000000 ] - [ -0.0088421900000000, -0.0070980900000000, -0.0000592700000000 ] - [ -0.0089455300000000, -0.0071659700000000, -0.0000779600000000 ] - [ 0.0081930200000000, 0.0078196300000000, 0.0008117800000000 ] - [ 0.0090318200000000, 0.0072382200000000, 0.0002411500000000 ] - [ 0.0088552600000000, -0.0070310300000000, -0.0000874000000000 ] - [ 0.0088831700000000, -0.0070826300000000, -0.0000601900000000 ] - [ 0.0200374400000000, 0.1867033500000000, 0.0873638700000000 ] - [ 0.0192580600000000, 0.1867704800000000, 0.0862349000000000 ] - [ 0.0191318800000000, -0.1868783100000000, -0.0861489900000000 ] - [ 0.0192727700000000, -0.1868988000000000, -0.0861403100000000 ] - [ -0.0199209900000000, 0.1869260400000000, -0.0859205700000000 ] - [ -0.0194544900000000, 0.1868521700000000, -0.0862074800000000 ] - [ -0.0194302900000000, -0.1866246400000000, 0.0864800800000000 ] - [ -0.0193998500000000, -0.1866926200000000, 0.0864095500000000 ] - [ -0.0192791400000000, -0.1870343800000000, -0.0858040800000000 ] - [ -0.0192185300000000, -0.1865572600000000, -0.0864736000000000 ] - [ -0.0210338500000000, 0.1902081300000000, 0.0883437800000000 ] - [ -0.0201376100000000, 0.1865426900000000, 0.0862302400000000 ] - [ 0.0194307900000000, -0.1867175700000000, 0.0863024000000000 ] - [ 0.0193439700000000, -0.1867824800000000, 0.0862577800000000 ] - [ 0.0189026300000000, 0.1873550500000000, -0.0860341300000000 ] - [ 0.0193693300000000, 0.1868204200000000, -0.0861745500000000 ] - [ -0.0367659400000000, -0.0839978700000000, -0.1323901100000000 ] - [ -0.0380922300000000, -0.0853997400000000, -0.1325760800000000 ] - [ -0.0376147400000000, 0.0863631700000000, 0.1323558100000000 ] - [ -0.0378527300000000, 0.0861967500000000, 0.1322906400000000 ] - [ 0.0376264600000000, -0.0869486500000000, 0.1316285400000000 ] - [ 0.0372324400000000, -0.0863980500000000, 0.1324661900000000 ] - [ 0.0376789800000000, 0.0862699900000000, -0.1322813700000000 ] - [ 0.0376419300000000, 0.0862036600000000, -0.1323288600000000 ] - [ 0.0376329000000000, 0.0863220800000000, 0.1322673200000000 ] - [ 0.0376442400000000, 0.0862292900000000, 0.1322315200000000 ] - [ 0.0357097700000000, -0.0860223700000000, -0.1313662600000000 ] - [ 0.0394280400000000, -0.0850978500000000, -0.1317768700000000 ] - [ -0.0376029000000000, 0.0862594900000000, -0.1322771800000000 ] - [ -0.0376524700000000, 0.0862576300000000, -0.1322729900000000 ] - [ -0.0377058700000000, -0.0861055000000000, 0.1323848900000000 ] - [ -0.0378365800000000, -0.0860894900000000, 0.1322817100000000 ] - [ 0.0195332700000000, 0.0208445100000000, -0.0459651200000000 ] - [ 0.0173628500000000, 0.0198271000000000, -0.0434659000000000 ] - [ 0.0196747600000000, -0.0198762800000000, 0.0440723200000000 ] - [ 0.0197356900000000, -0.0201277800000000, 0.0449610900000000 ] - [ -0.0192042200000000, 0.0200346600000000, 0.0446346000000000 ] - [ -0.0190967600000000, 0.0201583500000000, 0.0444440400000000 ] - [ -0.0195540300000000, -0.0204910200000000, -0.0449503500000000 ] - [ -0.0195858700000000, -0.0201806200000000, -0.0448223300000000 ] - [ -0.0199301500000000, -0.0192748300000000, 0.0421033700000000 ] - [ -0.0193639500000000, -0.0201268400000000, 0.0447920800000000 ] - [ -0.0176560400000000, 0.0231091100000000, -0.0432684100000000 ] - [ -0.0197651700000000, 0.0199781500000000, -0.0447329500000000 ] - [ 0.0195894000000000, -0.0203098100000000, -0.0446527000000000 ] - [ 0.0196172500000000, -0.0202940300000000, -0.0448391700000000 ] - [ 0.0196296300000000, 0.0197850400000000, 0.0441968400000000 ] - [ 0.0196380100000000, 0.0198390600000000, 0.0445017400000000 ] - [ 0.0321983500000000, -0.1846824600000000, 0.0171259300000000 ] - [ 0.0309622500000000, -0.1874930200000000, 0.0136021100000000 ] - [ 0.0325188500000000, 0.1865930800000000, -0.0142146300000000 ] - [ 0.0325390000000000, 0.1869400400000000, -0.0143839800000000 ] - [ -0.0324048200000000, -0.1863138800000000, -0.0143326500000000 ] - [ -0.0325912700000000, -0.1867112400000000, -0.0141974600000000 ] - [ -0.0322180400000000, 0.1869149900000000, 0.0144024400000000 ] - [ -0.0324239000000000, 0.1867744600000000, 0.0144545700000000 ] - [ -0.0327260000000000, 0.1862831000000000, -0.0131059300000000 ] - [ -0.0324028300000000, 0.1867705100000000, -0.0143894400000000 ] - [ -0.0329858300000000, -0.1872036000000000, 0.0142258400000000 ] - [ -0.0323068800000000, -0.1866759900000000, 0.0138906500000000 ] - [ 0.0324227900000000, 0.1867125400000000, 0.0144068900000000 ] - [ 0.0324045500000000, 0.1867630400000000, 0.0143901900000000 ] - [ 0.0323193200000000, -0.1867659000000000, -0.0140945000000000 ] - [ 0.0324863000000000, -0.1866214500000000, -0.0144200600000000 ] - [ -0.0590884300000000, 0.0414473900000000, 0.0640942100000000 ] - [ -0.0461890900000000, 0.0537258100000000, 0.0691416900000000 ] - [ -0.0587349400000000, -0.0438835600000000, -0.0655664200000000 ] - [ -0.0589865100000000, -0.0440018900000000, -0.0655668500000000 ] - [ 0.0589197100000000, 0.0440117300000000, -0.0654664900000000 ] - [ 0.0589158500000000, 0.0438292600000000, -0.0655672400000000 ] - [ 0.0586803000000000, -0.0437510300000000, 0.0655699000000000 ] - [ 0.0587786300000000, -0.0438328200000000, 0.0655505700000000 ] - [ 0.0588116600000000, -0.0440678400000000, -0.0655139700000000 ] - [ 0.0586438400000000, -0.0438635300000000, -0.0654230400000000 ] - [ 0.0587250400000000, 0.0444626900000000, 0.0656051500000000 ] - [ 0.0590988900000000, 0.0442359800000000, 0.0652559700000000 ] - [ -0.0588130200000000, -0.0438459700000000, 0.0654948900000000 ] - [ -0.0588189600000000, -0.0438791900000000, 0.0655262600000000 ] - [ -0.0589899300000000, 0.0439698200000000, -0.0655373600000000 ] - [ -0.0583630700000000, 0.0443659500000000, -0.0650606300000000 ] - [ 0.0553201400000000, -0.0553501800000000, 0.0098812700000000 ] - [ 0.0607203000000000, -0.0157917900000000, 0.0016453000000000 ] - [ 0.0596176900000000, 0.0162585600000000, -0.0014018200000000 ] - [ 0.0597163100000000, 0.0164689700000000, -0.0015323800000000 ] - [ -0.0596019100000000, -0.0161689100000000, -0.0014009400000000 ] - [ -0.0596398400000000, -0.0164315200000000, -0.0013699700000000 ] - [ -0.0594858500000000, 0.0160811600000000, 0.0013433800000000 ] - [ -0.0596067200000000, 0.0161930900000000, 0.0013704800000000 ] - [ -0.0592364000000000, 0.0162712600000000, -0.0014597900000000 ] - [ -0.0598656700000000, 0.0160894100000000, -0.0013919400000000 ] - [ -0.0600517900000000, -0.0167462300000000, 0.0017163300000000 ] - [ -0.0596743700000000, -0.0168845400000000, 0.0014686200000000 ] - [ 0.0595503900000000, 0.0161805200000000, 0.0014054400000000 ] - [ 0.0596692300000000, 0.0162683600000000, 0.0014323400000000 ] - [ 0.0610874100000000, -0.0205071500000000, -0.0031693300000000 ] - [ 0.0597198400000000, -0.0161432700000000, -0.0013220600000000 ] - [ 0.0094390500000000, 0.0449139600000000, -0.0171056100000000 ] - [ 0.0142912000000000, 0.0235911000000000, 0.0000594400000000 ] - [ 0.0143384500000000, -0.0234697500000000, -0.0000349900000000 ] - [ 0.0142619800000000, -0.0236120300000000, 0.0000022000000000 ] - [ -0.0141938200000000, 0.0235755700000000, 0.0000573300000000 ] - [ -0.0142872500000000, 0.0237699300000000, -0.0001310800000000 ] - [ -0.0144091200000000, -0.0235774700000000, 0.0000261400000000 ] - [ -0.0142769800000000, -0.0234067100000000, -0.0001075300000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003637100000000, 0.0004840600000000, -0.0005782600000000 ] - [ -0.0010264500000000, 0.0001959000000000, -0.0004519900000000 ] - [ 0.0007955200000000, -0.0000606600000000, 0.0000474400000000 ] - [ 0.0008040900000000, -0.0000228800000000, 0.0000560600000000 ] - [ 0.0008808800000000, -0.0003201600000000, -0.0002973200000000 ] - [ 0.0006876500000000, 0.0000854200000000, -0.0000359300000000 ] - [ -0.0007257500000000, 0.0000771300000000, 0.0002256000000000 ] - [ -0.0008639800000000, 0.0000214700000000, 0.0001036200000000 ] - [ -0.0082536500000000, 0.0067089800000000, -0.0002352400000000 ] - [ -0.0094212400000000, 0.0065821200000000, 0.0001718200000000 ] - [ -0.0088644700000000, -0.0070872000000000, 0.0000590400000000 ] - [ -0.0087607100000000, -0.0070185700000000, 0.0000781300000000 ] - [ 0.0095385900000000, 0.0063226600000000, -0.0008476400000000 ] - [ 0.0086757300000000, 0.0069473600000000, -0.0002383600000000 ] - [ 0.0088510600000000, -0.0071545500000000, 0.0000881500000000 ] - [ 0.0088240900000000, -0.0071021500000000, 0.0000603000000000 ] - [ 0.0187386900000000, 0.1868205600000000, 0.0851352500000000 ] - [ 0.0194710700000000, 0.1867964000000000, 0.0862063800000000 ] - [ 0.0195960900000000, -0.1867007400000000, -0.0863009800000000 ] - [ 0.0194576700000000, -0.1866757100000000, -0.0863101700000000 ] - [ -0.0187998700000000, 0.1866473700000000, -0.0865239300000000 ] - [ -0.0192731000000000, 0.1867234700000000, -0.0862397800000000 ] - [ -0.0192992100000000, -0.1869502300000000, 0.0859681400000000 ] - [ -0.0193287300000000, -0.1868840900000000, 0.0860390900000000 ] - [ -0.0194500900000000, -0.1865441700000000, -0.0866392700000000 ] - [ -0.0195165900000000, -0.1870140500000000, -0.0859854600000000 ] - [ -0.0177207400000000, 0.1833827500000000, 0.0841352700000000 ] - [ -0.0186037300000000, 0.1870257600000000, 0.0862143500000000 ] - [ 0.0192985400000000, -0.1868574100000000, 0.0861474400000000 ] - [ 0.0193851600000000, -0.1867931500000000, 0.0861912800000000 ] - [ 0.0198230000000000, 0.1862180700000000, -0.0864153800000000 ] - [ 0.0193591400000000, 0.1867551500000000, -0.0862716400000000 ] - [ -0.0384780800000000, -0.0885030000000000, -0.1323165000000000 ] - [ -0.0371085100000000, -0.0870608100000000, -0.1321332100000000 ] - [ -0.0376187500000000, 0.0861011600000000, 0.1323460900000000 ] - [ -0.0373776900000000, 0.0862676900000000, 0.1324103500000000 ] - [ 0.0375927200000000, -0.0855073600000000, 0.1330588600000000 ] - [ 0.0380007800000000, -0.0860648500000000, 0.1322347600000000 ] - [ 0.0375519100000000, 0.0861932100000000, -0.1324198200000000 ] - [ 0.0375891500000000, 0.0862606100000000, -0.1323724100000000 ] - [ 0.0375973400000000, 0.0861424900000000, 0.1324357800000000 ] - [ 0.0375858700000000, 0.0862360500000000, 0.1324731400000000 ] - [ 0.0394630800000000, -0.0863482200000000, -0.1333385300000000 ] - [ 0.0357775700000000, -0.0873887400000000, -0.1329261500000000 ] - [ -0.0376284400000000, 0.0862029300000000, -0.1324240400000000 ] - [ -0.0375786200000000, 0.0862067800000000, -0.1324297400000000 ] - [ -0.0375262300000000, -0.0863572000000000, 0.1323156200000000 ] - [ -0.0373967000000000, -0.0863740200000000, 0.1324192300000000 ] - [ 0.0194227300000000, 0.0194037600000000, -0.0434510600000000 ] - [ 0.0215865800000000, 0.0203949700000000, -0.0459250800000000 ] - [ 0.0192907300000000, -0.0203549100000000, 0.0453253200000000 ] - [ 0.0192354300000000, -0.0201086000000000, 0.0444396200000000 ] - [ -0.0197709100000000, 0.0201979800000000, 0.0447710600000000 ] - [ -0.0198720400000000, 0.0200770300000000, 0.0449609900000000 ] - [ -0.0194123200000000, -0.0197378100000000, -0.0444469000000000 ] - [ -0.0193806200000000, -0.0200548300000000, -0.0445780000000000 ] - [ -0.0190164500000000, -0.0209557100000000, 0.0472928800000000 ] - [ -0.0196007500000000, -0.0201109500000000, 0.0446097600000000 ] - [ -0.0212861800000000, 0.0171954500000000, -0.0461082300000000 ] - [ -0.0191983200000000, 0.0202651000000000, -0.0446688400000000 ] - [ 0.0193790800000000, -0.0199252500000000, -0.0447514400000000 ] - [ 0.0193488200000000, -0.0199406500000000, -0.0445609600000000 ] - [ 0.0193383600000000, 0.0204489200000000, 0.0452072100000000 ] - [ 0.0193314600000000, 0.0203976500000000, 0.0449018900000000 ] - [ 0.0327205300000000, -0.1887927800000000, 0.0115791600000000 ] - [ 0.0340345900000000, -0.1859547700000000, 0.0151299300000000 ] - [ 0.0324659900000000, 0.1868552700000000, -0.0144980800000000 ] - [ 0.0324451100000000, 0.1865105000000000, -0.0143311300000000 ] - [ -0.0325802900000000, -0.1871347600000000, -0.0143816900000000 ] - [ -0.0323925900000000, -0.1867383200000000, -0.0145176000000000 ] - [ -0.0327674800000000, 0.1865323100000000, 0.0143029000000000 ] - [ -0.0325612500000000, 0.1866749000000000, 0.0142595900000000 ] - [ -0.0322634500000000, 0.1871543000000000, -0.0155936900000000 ] - [ -0.0325826800000000, 0.1866782200000000, -0.0143259700000000 ] - [ -0.0319919300000000, -0.1862497800000000, 0.0144984100000000 ] - [ -0.0326766400000000, -0.1867764600000000, 0.0148303800000000 ] - [ 0.0325609200000000, 0.1867386100000000, 0.0143084300000000 ] - [ 0.0325805400000000, 0.1866869900000000, 0.0143245700000000 ] - [ 0.0326701700000000, -0.1866791500000000, -0.0146206300000000 ] - [ 0.0324967400000000, -0.1868259100000000, -0.0142960600000000 ] - [ -0.0585085000000000, 0.0463555900000000, 0.0668940300000000 ] - [ -0.0712270700000000, 0.0340594500000000, 0.0618627200000000 ] - [ -0.0588684900000000, -0.0439256500000000, -0.0654243200000000 ] - [ -0.0586186600000000, -0.0438095100000000, -0.0654257700000000 ] - [ 0.0586833600000000, 0.0437937800000000, -0.0655232000000000 ] - [ 0.0586893000000000, 0.0439786000000000, -0.0654230900000000 ] - [ 0.0589245800000000, -0.0440606600000000, 0.0654194600000000 ] - [ 0.0588267300000000, -0.0439765900000000, 0.0654398400000000 ] - [ 0.0587894600000000, -0.0437346900000000, -0.0654741500000000 ] - [ 0.0589590500000000, -0.0439451600000000, -0.0655651100000000 ] - [ 0.0588790900000000, 0.0433476700000000, 0.0653854500000000 ] - [ 0.0584987300000000, 0.0435792000000000, 0.0657288900000000 ] - [ -0.0587912300000000, -0.0439633200000000, 0.0654955500000000 ] - [ -0.0587855800000000, -0.0439299400000000, 0.0654637200000000 ] - [ -0.0586134500000000, 0.0438382200000000, -0.0654529000000000 ] - [ -0.0592437500000000, 0.0434403600000000, -0.0659280000000000 ] - [ 0.0639688600000000, 0.0224791800000000, -0.0064977400000000 ] - [ 0.0585370800000000, -0.0168537800000000, 0.0012285200000000 ] - [ 0.0596495200000000, 0.0163803900000000, -0.0014804300000000 ] - [ 0.0595506000000000, 0.0161685500000000, -0.0013513500000000 ] - [ -0.0596669400000000, -0.0164706000000000, -0.0014818000000000 ] - [ -0.0596281900000000, -0.0162052300000000, -0.0015099100000000 ] - [ -0.0597821900000000, 0.0165569400000000, 0.0015390500000000 ] - [ -0.0596594400000000, 0.0164457700000000, 0.0015122600000000 ] - [ -0.0600309700000000, 0.0163686100000000, -0.0014229400000000 ] - [ -0.0593975000000000, 0.0165495700000000, -0.0014888400000000 ] - [ -0.0592082900000000, -0.0158958900000000, 0.0011735700000000 ] - [ -0.0595917100000000, -0.0157531200000000, 0.0014114200000000 ] - [ 0.0597168500000000, 0.0164578400000000, 0.0014775400000000 ] - [ 0.0595971200000000, 0.0163693000000000, 0.0014498400000000 ] - [ 0.0581813000000000, -0.0121588500000000, 0.0002782400000000 ] - [ 0.0595481100000000, -0.0164933100000000, -0.0015572700000000 ] - [ 0.0189677900000000, 0.0025649500000000, 0.0165351100000000 ] - [ 0.0142444900000000, 0.0235677400000000, -0.0000556500000000 ] - [ 0.0141967100000000, -0.0236936200000000, 0.0000341600000000 ] - [ 0.0142728000000000, -0.0235510400000000, -0.0000025100000000 ] - [ -0.0143413200000000, 0.0235889400000000, -0.0000558100000000 ] - [ -0.0142489200000000, 0.0233899400000000, 0.0001332300000000 ] - [ -0.0141252200000000, -0.0235898800000000, -0.0000253800000000 ] - [ -0.0142584000000000, -0.0237567300000000, 0.0001073900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0019328100000000, 0.0003291100000000, 0.0014754200000000 ] - [ -0.0008495900000000, 0.0002638600000000, -0.0001732500000000 ] - [ 0.0007819400000000, -0.0000261400000000, -0.0000256900000000 ] - [ 0.0008153400000000, -0.0000080900000000, -0.0000003500000000 ] - [ 0.0006128600000000, 0.0000121000000000, 0.0000791900000000 ] - [ 0.0008256800000000, -0.0000845500000000, -0.0000178400000000 ] - [ -0.0009694200000000, -0.0001281100000000, -0.0001859000000000 ] - [ -0.0008572600000000, 0.0000122100000000, 0.0000314000000000 ] - [ -0.0082492000000000, 0.0066314300000000, -0.0001274000000000 ] - [ -0.0095192400000000, 0.0068344100000000, -0.0000719500000000 ] - [ -0.0088584900000000, -0.0071025100000000, 0.0000407500000000 ] - [ -0.0088169100000000, -0.0070666000000000, 0.0000768300000000 ] - [ 0.0082450100000000, 0.0084298400000000, 0.0005828900000000 ] - [ 0.0088391300000000, 0.0071126800000000, -0.0000519300000000 ] - [ 0.0088317500000000, -0.0071047100000000, 0.0000660800000000 ] - [ 0.0088643600000000, -0.0070743700000000, 0.0000123200000000 ] - [ 0.0180316100000000, 0.1870256600000000, 0.0887470900000000 ] - [ 0.0194414700000000, 0.1865476500000000, 0.0862305500000000 ] - [ 0.0194579900000000, -0.1868678300000000, -0.0864699500000000 ] - [ 0.0194231600000000, -0.1867312700000000, -0.0861385700000000 ] - [ -0.0190774300000000, 0.1863068500000000, -0.0866714200000000 ] - [ -0.0193092200000000, 0.1867947700000000, -0.0861658900000000 ] - [ -0.0193355900000000, -0.1869356100000000, 0.0859569400000000 ] - [ -0.0192832900000000, -0.1868805700000000, 0.0860643300000000 ] - [ -0.0193031100000000, -0.1871685700000000, -0.0856437600000000 ] - [ -0.0193586300000000, -0.1868857200000000, -0.0862201000000000 ] - [ -0.0213053500000000, 0.1895133300000000, 0.0872421300000000 ] - [ -0.0197195700000000, 0.1864398700000000, 0.0863485800000000 ] - [ 0.0193686300000000, -0.1868417200000000, 0.0862549000000000 ] - [ 0.0193689400000000, -0.1868030400000000, 0.0862121700000000 ] - [ 0.0195724300000000, 0.1862232200000000, -0.0868989500000000 ] - [ 0.0193746900000000, 0.1868101400000000, -0.0862675700000000 ] - [ -0.0383006400000000, -0.0871531700000000, -0.1325100100000000 ] - [ -0.0383528900000000, -0.0860661100000000, -0.1319799200000000 ] - [ -0.0377412200000000, 0.0862662900000000, 0.1321194200000000 ] - [ -0.0375262100000000, 0.0861870400000000, 0.1323847000000000 ] - [ 0.0377076000000000, -0.0855696700000000, 0.1339443600000000 ] - [ 0.0378393400000000, -0.0861263200000000, 0.1323043000000000 ] - [ 0.0375623500000000, 0.0862425500000000, -0.1323869100000000 ] - [ 0.0375937900000000, 0.0862530100000000, -0.1323260400000000 ] - [ 0.0375765500000000, 0.0862571000000000, 0.1322112100000000 ] - [ 0.0375969700000000, 0.0862986000000000, 0.1323434000000000 ] - [ 0.0375092200000000, -0.0871691300000000, -0.1321619700000000 ] - [ 0.0391209200000000, -0.0847041000000000, -0.1320688200000000 ] - [ -0.0376170700000000, 0.0861912500000000, -0.1323759500000000 ] - [ -0.0375988100000000, 0.0862513100000000, -0.1323828800000000 ] - [ -0.0375716400000000, -0.0861182100000000, 0.1322237800000000 ] - [ -0.0377554200000000, -0.0863693200000000, 0.1322115700000000 ] - [ 0.0186686200000000, 0.0210772100000000, -0.0454367700000000 ] - [ 0.0228719500000000, 0.0196367100000000, -0.0453188600000000 ] - [ 0.0193768000000000, -0.0198242000000000, 0.0442852700000000 ] - [ 0.0194691100000000, -0.0199900000000000, 0.0445311900000000 ] - [ -0.0194865000000000, 0.0202084800000000, 0.0446671300000000 ] - [ -0.0197436200000000, 0.0200854800000000, 0.0447912500000000 ] - [ -0.0195154900000000, -0.0196691500000000, -0.0441325000000000 ] - [ -0.0194102600000000, -0.0201227300000000, -0.0446134700000000 ] - [ -0.0194360100000000, -0.0202544900000000, 0.0464167100000000 ] - [ -0.0193173200000000, -0.0202463400000000, 0.0446355200000000 ] - [ -0.0191929800000000, 0.0217716200000000, -0.0438536300000000 ] - [ -0.0189081300000000, 0.0198504500000000, -0.0451498100000000 ] - [ 0.0194475000000000, -0.0199788200000000, -0.0447196700000000 ] - [ 0.0194338000000000, -0.0200813100000000, -0.0447013200000000 ] - [ 0.0193743000000000, 0.0203768600000000, 0.0452023900000000 ] - [ 0.0196040700000000, 0.0204601300000000, 0.0447721400000000 ] - [ 0.0348482000000000, -0.1849404200000000, 0.0158047400000000 ] - [ 0.0311804600000000, -0.1881895300000000, 0.0132374000000000 ] - [ 0.0325954500000000, 0.1865058900000000, -0.0142672300000000 ] - [ 0.0324925400000000, 0.1866231800000000, -0.0143609300000000 ] - [ -0.0325913700000000, -0.1872168200000000, -0.0141418000000000 ] - [ -0.0325157400000000, -0.1867232600000000, -0.0144706000000000 ] - [ -0.0325717400000000, 0.1864816300000000, 0.0137672100000000 ] - [ -0.0324876600000000, 0.1866402000000000, 0.0143096300000000 ] - [ -0.0322052600000000, 0.1867558800000000, -0.0148397600000000 ] - [ -0.0326086000000000, 0.1866390400000000, -0.0142922600000000 ] - [ -0.0322675200000000, -0.1865570400000000, 0.0145334000000000 ] - [ -0.0322278700000000, -0.1865084600000000, 0.0143127200000000 ] - [ 0.0324762300000000, 0.1866691900000000, 0.0143187400000000 ] - [ 0.0324942900000000, 0.1867533600000000, 0.0143784500000000 ] - [ 0.0328274500000000, -0.1866512800000000, -0.0146639500000000 ] - [ 0.0325471600000000, -0.1868896800000000, -0.0143244100000000 ] - [ -0.0596117700000000, 0.0430308500000000, 0.0650692500000000 ] - [ -0.0543974300000000, 0.0474923800000000, 0.0720736300000000 ] - [ -0.0587843400000000, -0.0438475400000000, -0.0655668000000000 ] - [ -0.0586974800000000, -0.0438068800000000, -0.0655101400000000 ] - [ 0.0587058800000000, 0.0438515600000000, -0.0654797700000000 ] - [ 0.0587679800000000, 0.0439816800000000, -0.0654281200000000 ] - [ 0.0588699600000000, -0.0440214500000000, 0.0654522600000000 ] - [ 0.0588369300000000, -0.0438697000000000, 0.0654351600000000 ] - [ 0.0587994800000000, -0.0438522500000000, -0.0652764100000000 ] - [ 0.0588940200000000, -0.0438664400000000, -0.0654236100000000 ] - [ 0.0588502100000000, 0.0433797500000000, 0.0652161300000000 ] - [ 0.0583985600000000, 0.0438426000000000, 0.0656369100000000 ] - [ -0.0587791200000000, -0.0439000700000000, 0.0655083500000000 ] - [ -0.0588131900000000, -0.0439435300000000, 0.0654833400000000 ] - [ -0.0588464800000000, 0.0439039000000000, -0.0655532000000000 ] - [ -0.0588462000000000, 0.0436657000000000, -0.0660485700000000 ] - [ 0.0509698900000000, -0.0084879200000000, -0.0399832900000000 ] - [ 0.0608038700000000, -0.0161045400000000, 0.0018929200000000 ] - [ 0.0595306200000000, 0.0163592000000000, -0.0014463700000000 ] - [ 0.0596192100000000, 0.0162286800000000, -0.0013377200000000 ] - [ -0.0595144800000000, -0.0163599500000000, -0.0012486100000000 ] - [ -0.0596419300000000, -0.0163882200000000, -0.0014761400000000 ] - [ -0.0596850000000000, 0.0164177200000000, 0.0014769300000000 ] - [ -0.0597006700000000, 0.0163906700000000, 0.0015129600000000 ] - [ -0.0599747500000000, 0.0163014500000000, -0.0015729600000000 ] - [ -0.0594477600000000, 0.0163683500000000, -0.0013549000000000 ] - [ -0.0593796000000000, -0.0160451400000000, 0.0017497900000000 ] - [ -0.0597042800000000, -0.0162899700000000, 0.0015299900000000 ] - [ 0.0596356500000000, 0.0163555200000000, 0.0014518000000000 ] - [ 0.0596352800000000, 0.0163282400000000, 0.0014399500000000 ] - [ 0.0589667400000000, -0.0145852400000000, 0.0053232900000000 ] - [ 0.0596168900000000, -0.0164355000000000, -0.0014947400000000 ] - [ 0.0189553500000000, 0.0067723500000000, 0.0217457900000000 ] - [ 0.0143330000000000, 0.0236290000000000, -0.0000344100000000 ] - [ 0.0142831900000000, -0.0236004400000000, 0.0000523800000000 ] - [ 0.0142695500000000, -0.0235711500000000, 0.0000476000000000 ] - [ -0.0143798300000000, 0.0235601500000000, -0.0004060600000000 ] - [ -0.0143620200000000, 0.0235998500000000, -0.0000431000000000 ] - [ -0.0142379200000000, -0.0237747600000000, 0.0000811200000000 ] - [ -0.0143126600000000, -0.0236495400000000, -0.0000128600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002835600000000, -0.0003274200000000, -0.0014274200000000 ] - [ -0.0007614300000000, -0.0002608200000000, 0.0001703500000000 ] - [ 0.0008295600000000, 0.0000253600000000, 0.0000253500000000 ] - [ 0.0007960700000000, 0.0000080100000000, -0.0000001400000000 ] - [ 0.0010008600000000, -0.0000101200000000, -0.0000772100000000 ] - [ 0.0007866300000000, 0.0000848100000000, 0.0000181200000000 ] - [ -0.0006393300000000, 0.0001312900000000, 0.0001910000000000 ] - [ -0.0007549300000000, -0.0000119300000000, -0.0000306600000000 ] - [ -0.0094520200000000, 0.0075531400000000, 0.0001215100000000 ] - [ -0.0081847100000000, 0.0073498700000000, 0.0000715600000000 ] - [ -0.0088463400000000, -0.0070820900000000, -0.0000406400000000 ] - [ -0.0088882100000000, -0.0071184200000000, -0.0000765900000000 ] - [ 0.0094715400000000, 0.0057301600000000, -0.0005986200000000 ] - [ 0.0088664300000000, 0.0070742300000000, 0.0000517300000000 ] - [ 0.0088733100000000, -0.0070794400000000, -0.0000656200000000 ] - [ 0.0088405600000000, -0.0071098400000000, -0.0000118300000000 ] - [ 0.0207336000000000, 0.1864788200000000, 0.0838377700000000 ] - [ 0.0192898100000000, 0.1870200600000000, 0.0862150300000000 ] - [ 0.0192664500000000, -0.1867080700000000, -0.0859799400000000 ] - [ 0.0193044100000000, -0.1868409900000000, -0.0863104500000000 ] - [ -0.0196409200000000, 0.1872608600000000, -0.0857803100000000 ] - [ -0.0194146800000000, 0.1867808900000000, -0.0862808900000000 ] - [ -0.0193914800000000, -0.1866392800000000, 0.0864902500000000 ] - [ -0.0194455500000000, -0.1866931300000000, 0.0863832500000000 ] - [ -0.0194213600000000, -0.1864078300000000, -0.0868032200000000 ] - [ -0.0193669100000000, -0.1866915000000000, -0.0862244600000000 ] - [ -0.0174353600000000, 0.1840558400000000, 0.0851968800000000 ] - [ -0.0190139100000000, 0.1871326000000000, 0.0860967300000000 ] - [ 0.0193592400000000, -0.1867322700000000, 0.0861922800000000 ] - [ 0.0193579700000000, -0.1867719700000000, 0.0862350400000000 ] - [ 0.0191591300000000, 0.1873480300000000, -0.0855466700000000 ] - [ 0.0193533000000000, 0.1867632600000000, -0.0861778900000000 ] - [ -0.0369332200000000, -0.0853062900000000, -0.1322075200000000 ] - [ -0.0368794600000000, -0.0863953500000000, -0.1327170600000000 ] - [ -0.0374833400000000, 0.0861977900000000, 0.1325828700000000 ] - [ -0.0377019800000000, 0.0862759300000000, 0.1323198800000000 ] - [ 0.0375011600000000, -0.0868695800000000, 0.1307344700000000 ] - [ 0.0373915200000000, -0.0863363600000000, 0.1323989700000000 ] - [ 0.0376657400000000, 0.0862212100000000, -0.1323180900000000 ] - [ 0.0376340000000000, 0.0862098800000000, -0.1323787000000000 ] - [ 0.0376539600000000, 0.0862049200000000, 0.1324906800000000 ] - [ 0.0376304400000000, 0.0861643100000000, 0.1323599200000000 ] - [ 0.0377117600000000, -0.0852757800000000, -0.1325593600000000 ] - [ 0.0360695900000000, -0.0877849600000000, -0.1326417300000000 ] - [ -0.0376099100000000, 0.0862719400000000, -0.1323280700000000 ] - [ -0.0376284100000000, 0.0862118300000000, -0.1323215100000000 ] - [ -0.0376538100000000, -0.0863441800000000, 0.1324811900000000 ] - [ -0.0374676700000000, -0.0860923900000000, 0.1324938300000000 ] - [ 0.0202772400000000, 0.0191648500000000, -0.0439765700000000 ] - [ 0.0161257100000000, 0.0205846100000000, -0.0440788900000000 ] - [ 0.0195910900000000, -0.0204128100000000, 0.0451174400000000 ] - [ 0.0195013300000000, -0.0202443100000000, 0.0448703700000000 ] - [ -0.0194949700000000, 0.0200177400000000, 0.0447399600000000 ] - [ -0.0192278100000000, 0.0201464100000000, 0.0446108900000000 ] - [ -0.0194503900000000, -0.0205624400000000, -0.0452628800000000 ] - [ -0.0195589700000000, -0.0201105300000000, -0.0447880700000000 ] - [ -0.0195236500000000, -0.0199615300000000, 0.0429712200000000 ] - [ -0.0196526900000000, -0.0199873900000000, 0.0447648100000000 ] - [ -0.0197678300000000, 0.0184863800000000, -0.0455398300000000 ] - [ -0.0200431300000000, 0.0203891000000000, -0.0442457800000000 ] - [ 0.0195196900000000, -0.0202508000000000, -0.0446831700000000 ] - [ 0.0195356800000000, -0.0201529100000000, -0.0447003100000000 ] - [ 0.0195932500000000, 0.0198559100000000, 0.0441967200000000 ] - [ 0.0193610100000000, 0.0197706200000000, 0.0446260700000000 ] - [ 0.0301139500000000, -0.1884977900000000, 0.0129643800000000 ] - [ 0.0337811700000000, -0.1852370300000000, 0.0154838100000000 ] - [ 0.0323897200000000, 0.1869408800000000, -0.0144529800000000 ] - [ 0.0324931200000000, 0.1868225100000000, -0.0143582000000000 ] - [ -0.0323935600000000, -0.1862287700000000, -0.0145768300000000 ] - [ -0.0324696900000000, -0.1867226200000000, -0.0142478100000000 ] - [ -0.0324160200000000, 0.1869594600000000, 0.0149431800000000 ] - [ -0.0324969700000000, 0.1868052600000000, 0.0144100300000000 ] - [ -0.0327833800000000, 0.1866684100000000, -0.0138665400000000 ] - [ -0.0323762700000000, 0.1868042200000000, -0.0144279800000000 ] - [ -0.0327165400000000, -0.1868902100000000, 0.0141854200000000 ] - [ -0.0327595800000000, -0.1869410900000000, 0.0144075600000000 ] - [ 0.0325082600000000, 0.1867757200000000, 0.0143998700000000 ] - [ 0.0324900200000000, 0.1866928900000000, 0.0143404500000000 ] - [ 0.0321599100000000, -0.1867896500000000, -0.0140524200000000 ] - [ 0.0324395200000000, -0.1865535000000000, -0.0143923300000000 ] - [ -0.0579836500000000, 0.0447555200000000, 0.0659095300000000 ] - [ -0.0631296800000000, 0.0403045100000000, 0.0589006800000000 ] - [ -0.0588190800000000, -0.0439580300000000, -0.0654226400000000 ] - [ -0.0589059100000000, -0.0439994000000000, -0.0654812700000000 ] - [ 0.0588942400000000, 0.0439566200000000, -0.0655091000000000 ] - [ 0.0588351700000000, 0.0438263800000000, -0.0655599300000000 ] - [ 0.0587321000000000, -0.0437841600000000, 0.0655362800000000 ] - [ 0.0587655700000000, -0.0439384100000000, 0.0655526300000000 ] - [ 0.0587993800000000, -0.0439536900000000, -0.0657099900000000 ] - [ 0.0587066200000000, -0.0439380700000000, -0.0655670200000000 ] - [ 0.0587585700000000, 0.0444244300000000, 0.0657701800000000 ] - [ 0.0592033400000000, 0.0439673400000000, 0.0653584900000000 ] - [ -0.0588233900000000, -0.0439064500000000, 0.0654793900000000 ] - [ -0.0587898000000000, -0.0438632400000000, 0.0655058700000000 ] - [ -0.0587517900000000, 0.0439018600000000, -0.0654373900000000 ] - [ -0.0587591000000000, 0.0441388900000000, -0.0649439200000000 ] - [ 0.0685732200000000, -0.0248723300000000, 0.0435947800000000 ] - [ 0.0584616700000000, -0.0165234200000000, 0.0009879900000000 ] - [ 0.0597414600000000, 0.0162775300000000, -0.0014347400000000 ] - [ 0.0596540100000000, 0.0164070700000000, -0.0015422100000000 ] - [ -0.0597594900000000, -0.0162807200000000, -0.0016327400000000 ] - [ -0.0596297500000000, -0.0162500700000000, -0.0014042200000000 ] - [ -0.0595856400000000, 0.0162191500000000, 0.0014036600000000 ] - [ -0.0595726500000000, 0.0162464400000000, 0.0013675400000000 ] - [ -0.0592943400000000, 0.0163356400000000, -0.0013046300000000 ] - [ -0.0598248700000000, 0.0162687900000000, -0.0015255400000000 ] - [ -0.0598897800000000, -0.0165895800000000, 0.0011363000000000 ] - [ -0.0595694800000000, -0.0163485800000000, 0.0013521000000000 ] - [ 0.0596372300000000, 0.0162806800000000, 0.0014294500000000 ] - [ 0.0596379600000000, 0.0163085300000000, 0.0014414400000000 ] - [ 0.0603035200000000, -0.0180343500000000, -0.0082855500000000 ] - [ 0.0596545100000000, -0.0162020800000000, -0.0013847700000000 ] - [ 0.0092970600000000, 0.0411701700000000, -0.0225291400000000 ] - [ 0.0142021100000000, 0.0235291300000000, 0.0000370000000000 ] - [ 0.0142519000000000, -0.0235591600000000, -0.0000519200000000 ] - [ 0.0142656200000000, -0.0235877000000000, -0.0000475300000000 ] - [ -0.0141555900000000, 0.0236012400000000, 0.0004005400000000 ] - [ -0.0141737500000000, 0.0235595500000000, 0.0000417200000000 ] - [ -0.0142991800000000, -0.0233864200000000, -0.0000797600000000 ] - [ -0.0142232200000000, -0.0235102100000000, 0.0000128100000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009921600000000, 0.0000601200000000, 0.0003121600000000 ] - [ -0.0008613500000000, 0.0000925300000000, -0.0001161000000000 ] - [ 0.0008417200000000, -0.0000521300000000, 0.0000018000000000 ] - [ 0.0007621800000000, -0.0000148500000000, -0.0000084700000000 ] - [ 0.0008417200000000, -0.0000521300000000, -0.0000018000000000 ] - [ 0.0007621800000000, -0.0000148500000000, 0.0000084700000000 ] - [ -0.0009921600000000, 0.0000601200000000, -0.0003121600000000 ] - [ -0.0008613500000000, 0.0000925300000000, 0.0001161000000000 ] - [ -0.0050853800000000, 0.0049655900000000, 0.0000000000000000 ] - [ -0.0080337200000000, 0.0071288900000000, 0.0000000000000000 ] - [ -0.0088574400000000, -0.0070696600000000, 0.0000000000000000 ] - [ -0.0088921200000000, -0.0071151500000000, 0.0000000000000000 ] - [ 0.0090041200000000, 0.0069568800000000, 0.0000000000000000 ] - [ 0.0088660000000000, 0.0071326200000000, 0.0000000000000000 ] - [ 0.0088945300000000, -0.0070825100000000, 0.0000000000000000 ] - [ 0.0088355600000000, -0.0070869600000000, 0.0000000000000000 ] - [ 0.0193431400000000, 0.1861677300000000, 0.0871544100000000 ] - [ 0.0194250700000000, 0.1868606400000000, 0.0861486800000000 ] - [ 0.0194272900000000, -0.1866965000000000, -0.0862975700000000 ] - [ 0.0193940700000000, -0.1867649900000000, -0.0862469800000000 ] - [ -0.0190306200000000, 0.1862410000000000, -0.0863299400000000 ] - [ -0.0191523100000000, 0.1867783100000000, -0.0862477200000000 ] - [ -0.0193982000000000, -0.1864765200000000, 0.0866920000000000 ] - [ -0.0193523600000000, -0.1868037900000000, 0.0861871900000000 ] - [ -0.0193982000000000, -0.1864765200000000, -0.0866920000000000 ] - [ -0.0193523600000000, -0.1868037900000000, -0.0861871900000000 ] - [ -0.0190306200000000, 0.1862410000000000, 0.0863299400000000 ] - [ -0.0191523100000000, 0.1867783100000000, 0.0862477200000000 ] - [ 0.0194272900000000, -0.1866965000000000, 0.0862975700000000 ] - [ 0.0193940700000000, -0.1867649900000000, 0.0862469800000000 ] - [ 0.0193431400000000, 0.1861677300000000, -0.0871544100000000 ] - [ 0.0194250700000000, 0.1868606400000000, -0.0861486800000000 ] - [ -0.0375036800000000, -0.0860472600000000, -0.1322691600000000 ] - [ -0.0379311000000000, -0.0863629200000000, -0.1323019500000000 ] - [ -0.0375456900000000, 0.0861965100000000, 0.1323792900000000 ] - [ -0.0376131500000000, 0.0862262800000000, 0.1323605000000000 ] - [ 0.0379226300000000, -0.0850492100000000, 0.1318602600000000 ] - [ 0.0374773900000000, -0.0862152600000000, 0.1324557800000000 ] - [ 0.0376819100000000, 0.0862697700000000, -0.1324027100000000 ] - [ 0.0376819400000000, 0.0862242100000000, -0.1323550900000000 ] - [ 0.0376819100000000, 0.0862697700000000, 0.1324027100000000 ] - [ 0.0376819400000000, 0.0862242100000000, 0.1323550900000000 ] - [ 0.0379226300000000, -0.0850492100000000, -0.1318602600000000 ] - [ 0.0374773900000000, -0.0862152600000000, -0.1324557800000000 ] - [ -0.0375456900000000, 0.0861965100000000, -0.1323792900000000 ] - [ -0.0376131500000000, 0.0862262800000000, -0.1323605000000000 ] - [ -0.0375036800000000, -0.0860472600000000, 0.1322691600000000 ] - [ -0.0379311000000000, -0.0863629200000000, 0.1323019500000000 ] - [ 0.0197534300000000, 0.0194235200000000, -0.0437731400000000 ] - [ 0.0197518100000000, 0.0203223300000000, -0.0449057100000000 ] - [ 0.0194101200000000, -0.0199625500000000, 0.0446405400000000 ] - [ 0.0194393000000000, -0.0200882000000000, 0.0446088600000000 ] - [ -0.0198983200000000, 0.0198702000000000, 0.0444148000000000 ] - [ -0.0194767100000000, 0.0200904900000000, 0.0446987100000000 ] - [ -0.0195690300000000, -0.0199739600000000, -0.0443885600000000 ] - [ -0.0196828800000000, -0.0201072900000000, -0.0448475800000000 ] - [ -0.0195690300000000, -0.0199739600000000, 0.0443885600000000 ] - [ -0.0196828800000000, -0.0201072900000000, 0.0448475800000000 ] - [ -0.0198983200000000, 0.0198702000000000, -0.0444148000000000 ] - [ -0.0194767100000000, 0.0200904900000000, -0.0446987100000000 ] - [ 0.0194101200000000, -0.0199625500000000, -0.0446405400000000 ] - [ 0.0194393000000000, -0.0200882000000000, -0.0446088600000000 ] - [ 0.0197534300000000, 0.0194235200000000, 0.0437731400000000 ] - [ 0.0197518100000000, 0.0203223300000000, 0.0449057100000000 ] - [ 0.0318073100000000, -0.1862694700000000, 0.0138945200000000 ] - [ 0.0324816000000000, -0.1867604700000000, 0.0145609600000000 ] - [ 0.0325118000000000, 0.1866896100000000, -0.0143921600000000 ] - [ 0.0324857400000000, 0.1867339600000000, -0.0143174000000000 ] - [ -0.0327259000000000, -0.1870245900000000, -0.0145197800000000 ] - [ -0.0325279300000000, -0.1867193200000000, -0.0143525700000000 ] - [ -0.0324853300000000, 0.1866451400000000, 0.0139302000000000 ] - [ -0.0324289900000000, 0.1868238100000000, 0.0145156600000000 ] - [ -0.0324853300000000, 0.1866451400000000, -0.0139302000000000 ] - [ -0.0324289900000000, 0.1868238100000000, -0.0145156600000000 ] - [ -0.0327259000000000, -0.1870245900000000, 0.0145197800000000 ] - [ -0.0325279300000000, -0.1867193200000000, 0.0143525700000000 ] - [ 0.0325118000000000, 0.1866896100000000, 0.0143921600000000 ] - [ 0.0324857400000000, 0.1867339600000000, 0.0143174000000000 ] - [ 0.0318073100000000, -0.1862694700000000, -0.0138945200000000 ] - [ 0.0324816000000000, -0.1867604700000000, -0.0145609600000000 ] - [ -0.0587655100000000, 0.0439529600000000, 0.0651843000000000 ] - [ -0.0572486200000000, 0.0423335300000000, 0.0678726600000000 ] - [ -0.0587939000000000, -0.0439206000000000, -0.0654680500000000 ] - [ -0.0588466100000000, -0.0438897100000000, -0.0655066300000000 ] - [ 0.0590245500000000, 0.0440593400000000, -0.0654000500000000 ] - [ 0.0589196500000000, 0.0438200700000000, -0.0654351200000000 ] - [ 0.0587972000000000, -0.0439147400000000, 0.0655297400000000 ] - [ 0.0587718600000000, -0.0440016600000000, 0.0654612700000000 ] - [ 0.0587972000000000, -0.0439147400000000, -0.0655297400000000 ] - [ 0.0587718600000000, -0.0440016600000000, -0.0654612700000000 ] - [ 0.0590245500000000, 0.0440593400000000, 0.0654000500000000 ] - [ 0.0589196500000000, 0.0438200700000000, 0.0654351200000000 ] - [ -0.0587939000000000, -0.0439206000000000, 0.0654680500000000 ] - [ -0.0588466100000000, -0.0438897100000000, 0.0655066300000000 ] - [ -0.0587655100000000, 0.0439529600000000, -0.0651843000000000 ] - [ -0.0572486200000000, 0.0423335300000000, -0.0678726600000000 ] - [ 0.0661232300000000, -0.0210888900000000, 0.0062724800000000 ] - [ 0.0594389300000000, -0.0162963200000000, 0.0015049800000000 ] - [ 0.0596304400000000, 0.0162466300000000, -0.0014555100000000 ] - [ 0.0596025000000000, 0.0163224600000000, -0.0014422600000000 ] - [ -0.0596385400000000, -0.0163944700000000, -0.0015526300000000 ] - [ -0.0596487100000000, -0.0163005200000000, -0.0015342000000000 ] - [ -0.0595149000000000, 0.0161761400000000, 0.0014100600000000 ] - [ -0.0597497600000000, 0.0163086400000000, 0.0014843900000000 ] - [ -0.0595149000000000, 0.0161761400000000, -0.0014100600000000 ] - [ -0.0597497600000000, 0.0163086400000000, -0.0014843900000000 ] - [ -0.0596385400000000, -0.0163944700000000, 0.0015526300000000 ] - [ -0.0596487100000000, -0.0163005200000000, 0.0015342000000000 ] - [ 0.0596304400000000, 0.0162466300000000, 0.0014555100000000 ] - [ 0.0596025000000000, 0.0163224600000000, 0.0014422600000000 ] - [ 0.0661232300000000, -0.0210888900000000, -0.0062724800000000 ] - [ 0.0594389300000000, -0.0162963200000000, -0.0015049800000000 ] - [ -0.0058933000000000, 0.0378779300000000, 0.0000000000000000 ] - [ 0.0144044500000000, 0.0235671700000000, 0.0000000000000000 ] - [ 0.0143141300000000, -0.0235489500000000, 0.0000000000000000 ] - [ 0.0143242300000000, -0.0235705300000000, 0.0000000000000000 ] - [ -0.0142090100000000, 0.0236745500000000, 0.0000000000000000 ] - [ -0.0142287700000000, 0.0236550500000000, 0.0000000000000000 ] - [ -0.0143377800000000, -0.0233677400000000, 0.0000000000000000 ] - [ -0.0141546100000000, -0.0235967200000000, 0.0000000000000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006171100000000, -0.0000577400000000, -0.0003163700000000 ] - [ -0.0007470900000000, -0.0000918100000000, 0.0001144500000000 ] - [ 0.0007663200000000, 0.0000520300000000, 0.0000012000000000 ] - [ 0.0008476200000000, 0.0000147000000000, 0.0000108400000000 ] - [ 0.0007663200000000, 0.0000520300000000, -0.0000012000000000 ] - [ 0.0008476200000000, 0.0000147000000000, -0.0000108400000000 ] - [ -0.0006171100000000, -0.0000577400000000, 0.0003163700000000 ] - [ -0.0007470900000000, -0.0000918100000000, -0.0001144500000000 ] - [ -0.0127061500000000, 0.0092861200000000, 0.0000000000000000 ] - [ -0.0096378300000000, 0.0070701700000000, 0.0000000000000000 ] - [ -0.0088584300000000, -0.0071144200000000, 0.0000000000000000 ] - [ -0.0088231400000000, -0.0070682200000000, 0.0000000000000000 ] - [ 0.0087075200000000, 0.0072309300000000, 0.0000000000000000 ] - [ 0.0088476000000000, 0.0070514200000000, 0.0000000000000000 ] - [ 0.0088213300000000, -0.0071018700000000, 0.0000000000000000 ] - [ 0.0088808200000000, -0.0070966200000000, 0.0000000000000000 ] - [ 0.0193692200000000, 0.1874264300000000, 0.0852680900000000 ] - [ 0.0193016200000000, 0.1867133800000000, 0.0862968500000000 ] - [ 0.0193012700000000, -0.1868778300000000, -0.0861512300000000 ] - [ 0.0193338800000000, -0.1868085300000000, -0.0862001800000000 ] - [ -0.0196983500000000, 0.1873272100000000, -0.0861206500000000 ] - [ -0.0195750500000000, 0.1867955600000000, -0.0861991600000000 ] - [ -0.0193290000000000, -0.1871005700000000, 0.0857505400000000 ] - [ -0.0193749400000000, -0.1867707300000000, 0.0862604800000000 ] - [ -0.0193290000000000, -0.1871005700000000, -0.0857505400000000 ] - [ -0.0193749400000000, -0.1867707300000000, -0.0862604800000000 ] - [ -0.0196983500000000, 0.1873272100000000, 0.0861206500000000 ] - [ -0.0195750500000000, 0.1867955600000000, 0.0861991600000000 ] - [ 0.0193012700000000, -0.1868778300000000, 0.0861512300000000 ] - [ 0.0193338800000000, -0.1868085300000000, 0.0862001800000000 ] - [ 0.0193692200000000, 0.1874264300000000, -0.0852680900000000 ] - [ 0.0193016200000000, 0.1867133800000000, -0.0862968500000000 ] - [ -0.0377278500000000, -0.0864214700000000, -0.1324309500000000 ] - [ -0.0372979700000000, -0.0861019800000000, -0.1323983200000000 ] - [ -0.0376835900000000, 0.0862676400000000, 0.1323225200000000 ] - [ -0.0376146200000000, 0.0862377000000000, 0.1323418400000000 ] - [ 0.0372886300000000, -0.0874070900000000, 0.1328334800000000 ] - [ 0.0377505600000000, -0.0862479500000000, 0.1322462300000000 ] - [ 0.0375466300000000, 0.0861937600000000, -0.1322986000000000 ] - [ 0.0375474600000000, 0.0862403100000000, -0.1323470400000000 ] - [ 0.0375466300000000, 0.0861937600000000, 0.1322986000000000 ] - [ 0.0375474600000000, 0.0862403100000000, 0.1323470400000000 ] - [ 0.0372886300000000, -0.0874070900000000, -0.1328334800000000 ] - [ 0.0377505600000000, -0.0862479500000000, -0.1322462300000000 ] - [ -0.0376835900000000, 0.0862676400000000, -0.1323225200000000 ] - [ -0.0376146200000000, 0.0862377000000000, -0.1323418400000000 ] - [ -0.0377278500000000, -0.0864214700000000, 0.1324309500000000 ] - [ -0.0372979700000000, -0.0861019800000000, 0.1323983200000000 ] - [ 0.0192118900000000, 0.0208149000000000, -0.0456311100000000 ] - [ 0.0192234100000000, 0.0199117300000000, -0.0444968400000000 ] - [ 0.0195576800000000, -0.0202712900000000, 0.0447598400000000 ] - [ 0.0195304300000000, -0.0201488500000000, 0.0447920600000000 ] - [ -0.0190772200000000, 0.0203629600000000, 0.0449933000000000 ] - [ -0.0194909400000000, 0.0201445500000000, 0.0446998900000000 ] - [ -0.0194002300000000, -0.0202618500000000, -0.0450217700000000 ] - [ -0.0192855300000000, -0.0201303400000000, -0.0445528300000000 ] - [ -0.0194002300000000, -0.0202618500000000, 0.0450217700000000 ] - [ -0.0192855300000000, -0.0201303400000000, 0.0445528300000000 ] - [ -0.0190772200000000, 0.0203629600000000, -0.0449933000000000 ] - [ -0.0194909400000000, 0.0201445500000000, -0.0446998900000000 ] - [ 0.0195576800000000, -0.0202712900000000, -0.0447598400000000 ] - [ 0.0195304300000000, -0.0201488500000000, -0.0447920600000000 ] - [ 0.0192118900000000, 0.0208149000000000, 0.0456311100000000 ] - [ 0.0192234100000000, 0.0199117300000000, 0.0444968400000000 ] - [ 0.0331892700000000, -0.1871743700000000, 0.0148265400000000 ] - [ 0.0325057900000000, -0.1866812500000000, 0.0141584400000000 ] - [ 0.0324750100000000, 0.1867549800000000, -0.0143251100000000 ] - [ 0.0325004600000000, 0.1867116700000000, -0.0144011500000000 ] - [ -0.0322614300000000, -0.1864169500000000, -0.0141971900000000 ] - [ -0.0324566400000000, -0.1867251000000000, -0.0143654200000000 ] - [ -0.0324989400000000, 0.1868019000000000, 0.0147937000000000 ] - [ -0.0325576200000000, 0.1866212600000000, 0.0142011600000000 ] - [ -0.0324989400000000, 0.1868019000000000, -0.0147937000000000 ] - [ -0.0325576200000000, 0.1866212600000000, -0.0142011600000000 ] - [ -0.0322614300000000, -0.1864169500000000, 0.0141971900000000 ] - [ -0.0324566400000000, -0.1867251000000000, 0.0143654200000000 ] - [ 0.0324750100000000, 0.1867549800000000, 0.0143251100000000 ] - [ 0.0325004600000000, 0.1867116700000000, 0.0144011500000000 ] - [ 0.0331892700000000, -0.1871743700000000, -0.0148265400000000 ] - [ 0.0325057900000000, -0.1866812500000000, -0.0141584400000000 ] - [ -0.0588424000000000, 0.0438528900000000, 0.0658107800000000 ] - [ -0.0603407400000000, 0.0454555700000000, 0.0631420300000000 ] - [ -0.0588076200000000, -0.0438850000000000, -0.0655223200000000 ] - [ -0.0587544500000000, -0.0439154700000000, -0.0654836100000000 ] - [ 0.0585801500000000, 0.0437440300000000, -0.0655877300000000 ] - [ 0.0586833600000000, 0.0439860400000000, -0.0655557300000000 ] - [ 0.0588050400000000, -0.0438920100000000, 0.0654585800000000 ] - [ 0.0588317800000000, -0.0438039200000000, 0.0655282600000000 ] - [ 0.0588050400000000, -0.0438920100000000, -0.0654585800000000 ] - [ 0.0588317800000000, -0.0438039200000000, -0.0655282600000000 ] - [ 0.0585801500000000, 0.0437440300000000, 0.0655877300000000 ] - [ 0.0586833600000000, 0.0439860400000000, 0.0655557300000000 ] - [ -0.0588076200000000, -0.0438850000000000, 0.0655223200000000 ] - [ -0.0587544500000000, -0.0439154700000000, 0.0654836100000000 ] - [ -0.0588424000000000, 0.0438528900000000, -0.0658107800000000 ] - [ -0.0603407400000000, 0.0454555700000000, -0.0631420300000000 ] - [ 0.0530845000000000, -0.0115593100000000, -0.0033801100000000 ] - [ 0.0598322400000000, -0.0163404900000000, 0.0013754300000000 ] - [ 0.0596378900000000, 0.0163910600000000, -0.0014257000000000 ] - [ 0.0596658900000000, 0.0163139900000000, -0.0014395300000000 ] - [ -0.0596316800000000, -0.0162447200000000, -0.0013302300000000 ] - [ -0.0596215000000000, -0.0163366800000000, -0.0013477500000000 ] - [ -0.0597580700000000, 0.0164625000000000, 0.0014726100000000 ] - [ -0.0595173800000000, 0.0163294700000000, 0.0013962400000000 ] - [ -0.0597580700000000, 0.0164625000000000, -0.0014726100000000 ] - [ -0.0595173800000000, 0.0163294700000000, -0.0013962400000000 ] - [ -0.0596316800000000, -0.0162447200000000, 0.0013302300000000 ] - [ -0.0596215000000000, -0.0163366800000000, 0.0013477500000000 ] - [ 0.0596378900000000, 0.0163910600000000, 0.0014257000000000 ] - [ 0.0596658900000000, 0.0163139900000000, 0.0014395300000000 ] - [ 0.0530845000000000, -0.0115593100000000, 0.0033801100000000 ] - [ 0.0598322400000000, -0.0163404900000000, -0.0013754300000000 ] - [ 0.0346158700000000, 0.0092102400000000, 0.0000000000000000 ] - [ 0.0141322000000000, 0.0235904400000000, 0.0000000000000000 ] - [ 0.0142219900000000, -0.0236111200000000, 0.0000000000000000 ] - [ 0.0142118700000000, -0.0235887700000000, 0.0000000000000000 ] - [ -0.0143279200000000, 0.0234855500000000, 0.0000000000000000 ] - [ -0.0143081500000000, 0.0235036600000000, 0.0000000000000000 ] - [ -0.0141955200000000, -0.0237946700000000, 0.0000000000000000 ] - [ -0.0143820700000000, -0.0235626900000000, 0.0000000000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004952500000000, 0.0001673200000000, -0.0005001600000000 ] - [ -0.0008241400000000, 0.0000368100000000, -0.0001349800000000 ] - [ 0.0006951600000000, -0.0001469000000000, 0.0001565200000000 ] - [ 0.0008247900000000, -0.0000508400000000, 0.0000774000000000 ] - [ 0.0006951600000000, -0.0001469000000000, -0.0001565200000000 ] - [ 0.0008247900000000, -0.0000508400000000, -0.0000774000000000 ] - [ -0.0004952500000000, 0.0001673200000000, 0.0005001600000000 ] - [ -0.0008241400000000, 0.0000368100000000, 0.0001349800000000 ] - [ -0.0105262100000000, 0.0075896300000000, 0.0000000000000000 ] - [ -0.0093946800000000, 0.0067347200000000, 0.0000000000000000 ] - [ -0.0089051400000000, -0.0070485100000000, 0.0000000000000000 ] - [ -0.0087543500000000, -0.0069772400000000, 0.0000000000000000 ] - [ 0.0087682800000000, 0.0075500900000000, 0.0000000000000000 ] - [ 0.0088943700000000, 0.0070890400000000, 0.0000000000000000 ] - [ 0.0088638400000000, -0.0071551700000000, 0.0000000000000000 ] - [ 0.0088564700000000, -0.0071109300000000, 0.0000000000000000 ] - [ 0.0181844700000000, 0.1893576200000000, 0.0825592200000000 ] - [ 0.0193712900000000, 0.1867861400000000, 0.0862882600000000 ] - [ 0.0193739600000000, -0.1868153800000000, -0.0862670700000000 ] - [ 0.0194550400000000, -0.1867394900000000, -0.0861677600000000 ] - [ -0.0195574900000000, 0.1874531500000000, -0.0870213900000000 ] - [ -0.0193850900000000, 0.1866618800000000, -0.0862458100000000 ] - [ -0.0193801300000000, -0.1867267900000000, 0.0863102400000000 ] - [ -0.0194502700000000, -0.1868985400000000, 0.0860457600000000 ] - [ -0.0193801300000000, -0.1867267900000000, -0.0863102400000000 ] - [ -0.0194502700000000, -0.1868985400000000, -0.0860457600000000 ] - [ -0.0195574900000000, 0.1874531500000000, 0.0870213900000000 ] - [ -0.0193850900000000, 0.1866618800000000, 0.0862458100000000 ] - [ 0.0193739600000000, -0.1868153800000000, 0.0862670700000000 ] - [ 0.0194550400000000, -0.1867394900000000, 0.0861677600000000 ] - [ 0.0181844700000000, 0.1893576200000000, -0.0825592200000000 ] - [ 0.0193712900000000, 0.1867861400000000, -0.0862882600000000 ] - [ -0.0380609500000000, -0.0869498700000000, -0.1324472800000000 ] - [ -0.0376213500000000, -0.0864505600000000, -0.1323225700000000 ] - [ -0.0376328600000000, 0.0861575400000000, 0.1323397000000000 ] - [ -0.0374639600000000, 0.0862152800000000, 0.1323944800000000 ] - [ 0.0384390500000000, -0.0865362900000000, 0.1335599300000000 ] - [ 0.0380864300000000, -0.0860532500000000, 0.1322463700000000 ] - [ 0.0375432000000000, 0.0862097900000000, -0.1324404200000000 ] - [ 0.0376450800000000, 0.0862359200000000, -0.1324044200000000 ] - [ 0.0375432000000000, 0.0862097900000000, 0.1324404200000000 ] - [ 0.0376450800000000, 0.0862359200000000, 0.1324044200000000 ] - [ 0.0384390500000000, -0.0865362900000000, -0.1335599300000000 ] - [ 0.0380864300000000, -0.0860532500000000, -0.1322463700000000 ] - [ -0.0376328600000000, 0.0861575400000000, -0.1323397000000000 ] - [ -0.0374639600000000, 0.0862152800000000, -0.1323944800000000 ] - [ -0.0380609500000000, -0.0869498700000000, 0.1324472800000000 ] - [ -0.0376213500000000, -0.0864505600000000, 0.1323225700000000 ] - [ 0.0195755500000000, 0.0199732600000000, -0.0444458900000000 ] - [ 0.0201417400000000, 0.0203189400000000, -0.0452745900000000 ] - [ 0.0193337900000000, -0.0200036500000000, 0.0445745600000000 ] - [ 0.0193172300000000, -0.0199658700000000, 0.0445217400000000 ] - [ -0.0193120300000000, 0.0204030600000000, 0.0445025400000000 ] - [ -0.0198234200000000, 0.0202125100000000, 0.0449169000000000 ] - [ -0.0191582700000000, -0.0202167700000000, -0.0458917700000000 ] - [ -0.0195170500000000, -0.0201331400000000, -0.0446623100000000 ] - [ -0.0191582700000000, -0.0202167700000000, 0.0458917700000000 ] - [ -0.0195170500000000, -0.0201331400000000, 0.0446623100000000 ] - [ -0.0193120300000000, 0.0204030600000000, -0.0445025400000000 ] - [ -0.0198234200000000, 0.0202125100000000, -0.0449169000000000 ] - [ 0.0193337900000000, -0.0200036500000000, -0.0445745600000000 ] - [ 0.0193172300000000, -0.0199658700000000, -0.0445217400000000 ] - [ 0.0195755500000000, 0.0199732600000000, 0.0444458900000000 ] - [ 0.0201417400000000, 0.0203189400000000, 0.0452745900000000 ] - [ 0.0329265900000000, -0.1857920400000000, 0.0135745700000000 ] - [ 0.0324685800000000, -0.1867867000000000, 0.0144609100000000 ] - [ 0.0325469900000000, 0.1866470600000000, -0.0142835900000000 ] - [ 0.0324829800000000, 0.1866175700000000, -0.0143588200000000 ] - [ -0.0324359200000000, -0.1873574000000000, -0.0139184800000000 ] - [ -0.0324474200000000, -0.1867036900000000, -0.0145568400000000 ] - [ -0.0324210200000000, 0.1869702200000000, 0.0152560600000000 ] - [ -0.0325165600000000, 0.1866657300000000, 0.0144023500000000 ] - [ -0.0324210200000000, 0.1869702200000000, -0.0152560600000000 ] - [ -0.0325165600000000, 0.1866657300000000, -0.0144023500000000 ] - [ -0.0324359200000000, -0.1873574000000000, 0.0139184800000000 ] - [ -0.0324474200000000, -0.1867036900000000, 0.0145568400000000 ] - [ 0.0325469900000000, 0.1866470600000000, 0.0142835900000000 ] - [ 0.0324829800000000, 0.1866175700000000, 0.0143588200000000 ] - [ 0.0329265900000000, -0.1857920400000000, -0.0135745700000000 ] - [ 0.0324685800000000, -0.1867867000000000, -0.0144609100000000 ] - [ -0.0585641700000000, 0.0438115000000000, 0.0652822900000000 ] - [ -0.0607410600000000, 0.0429911800000000, 0.0658185300000000 ] - [ -0.0588359600000000, -0.0438876700000000, -0.0654780100000000 ] - [ -0.0587113000000000, -0.0438402100000000, -0.0654317100000000 ] - [ 0.0586931400000000, 0.0438024100000000, -0.0656335200000000 ] - [ 0.0586193600000000, 0.0440080600000000, -0.0654627100000000 ] - [ 0.0588814200000000, -0.0438657900000000, 0.0653795100000000 ] - [ 0.0589186300000000, -0.0439153100000000, 0.0654369100000000 ] - [ 0.0588814200000000, -0.0438657900000000, -0.0653795100000000 ] - [ 0.0589186300000000, -0.0439153100000000, -0.0654369100000000 ] - [ 0.0586931400000000, 0.0438024100000000, 0.0656335200000000 ] - [ 0.0586193600000000, 0.0440080600000000, 0.0654627100000000 ] - [ -0.0588359600000000, -0.0438876700000000, 0.0654780100000000 ] - [ -0.0587113000000000, -0.0438402100000000, 0.0654317100000000 ] - [ -0.0585641700000000, 0.0438115000000000, -0.0652822900000000 ] - [ -0.0607410600000000, 0.0429911800000000, -0.0658185300000000 ] - [ 0.0546281600000000, 0.0046783500000000, -0.0154495900000000 ] - [ 0.0594516700000000, -0.0163013600000000, 0.0014863300000000 ] - [ 0.0596103300000000, 0.0163986100000000, -0.0014426500000000 ] - [ 0.0595752500000000, 0.0162542900000000, -0.0014120500000000 ] - [ -0.0594434900000000, -0.0163215500000000, -0.0014152400000000 ] - [ -0.0594687800000000, -0.0161256000000000, -0.0014595000000000 ] - [ -0.0599990000000000, 0.0162932900000000, 0.0016139100000000 ] - [ -0.0594912200000000, 0.0164623400000000, 0.0014910200000000 ] - [ -0.0599990000000000, 0.0162932900000000, -0.0016139100000000 ] - [ -0.0594912200000000, 0.0164623400000000, -0.0014910200000000 ] - [ -0.0594434900000000, -0.0163215500000000, 0.0014152400000000 ] - [ -0.0594687800000000, -0.0161256000000000, 0.0014595000000000 ] - [ 0.0596103300000000, 0.0163986100000000, 0.0014426500000000 ] - [ 0.0595752500000000, 0.0162542900000000, 0.0014120500000000 ] - [ 0.0546281600000000, 0.0046783500000000, 0.0154495900000000 ] - [ 0.0594516700000000, -0.0163013600000000, -0.0014863300000000 ] - [ 0.0284218800000000, -0.0230973100000000, 0.0000000000000000 ] - [ 0.0142497600000000, 0.0234508500000000, 0.0000000000000000 ] - [ 0.0142600100000000, -0.0236613600000000, 0.0000000000000000 ] - [ 0.0142828700000000, -0.0235430200000000, 0.0000000000000000 ] - [ -0.0143572300000000, 0.0234240400000000, 0.0000000000000000 ] - [ -0.0143373100000000, 0.0234343400000000, 0.0000000000000000 ] - [ -0.0140775200000000, -0.0234309100000000, 0.0000000000000000 ] - [ -0.0143084900000000, -0.0236585100000000, 0.0000000000000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011040800000000, -0.0001708900000000, 0.0005077700000000 ] - [ -0.0007728800000000, -0.0000379700000000, 0.0001413500000000 ] - [ 0.0009019200000000, 0.0001472600000000, -0.0001627700000000 ] - [ 0.0007732000000000, 0.0000485500000000, -0.0000829900000000 ] - [ 0.0009019200000000, 0.0001472600000000, 0.0001627700000000 ] - [ 0.0007732000000000, 0.0000485500000000, 0.0000829900000000 ] - [ -0.0011040800000000, -0.0001708900000000, -0.0005077700000000 ] - [ -0.0007728800000000, -0.0000379700000000, -0.0001413500000000 ] - [ -0.0072355600000000, 0.0065942000000000, 0.0000000000000000 ] - [ -0.0083306200000000, 0.0074401600000000, 0.0000000000000000 ] - [ -0.0088248700000000, -0.0071225600000000, 0.0000000000000000 ] - [ -0.0089761500000000, -0.0071939400000000, 0.0000000000000000 ] - [ 0.0089594800000000, 0.0066182700000000, 0.0000000000000000 ] - [ 0.0088343600000000, 0.0070824600000000, 0.0000000000000000 ] - [ 0.0088660000000000, -0.0070161000000000, 0.0000000000000000 ] - [ 0.0088740000000000, -0.0070598900000000, 0.0000000000000000 ] - [ 0.0205659700000000, 0.1842020900000000, 0.0899219500000000 ] - [ 0.0193757900000000, 0.1867801800000000, 0.0861679400000000 ] - [ 0.0193659300000000, -0.1867468300000000, -0.0861675200000000 ] - [ 0.0192858500000000, -0.1868199200000000, -0.0862676200000000 ] - [ -0.0191823600000000, 0.1861044500000000, -0.0854425200000000 ] - [ -0.0193623400000000, 0.1869088400000000, -0.0862128600000000 ] - [ -0.0193610900000000, -0.1868346700000000, 0.0861205100000000 ] - [ -0.0192911300000000, -0.1866614100000000, 0.0863888900000000 ] - [ -0.0193610900000000, -0.1868346700000000, -0.0861205100000000 ] - [ -0.0192911300000000, -0.1866614100000000, -0.0863888900000000 ] - [ -0.0191823600000000, 0.1861044500000000, 0.0854425200000000 ] - [ -0.0193623400000000, 0.1869088400000000, 0.0862128600000000 ] - [ 0.0193659300000000, -0.1867468300000000, 0.0861675200000000 ] - [ 0.0192858500000000, -0.1868199200000000, 0.0862676200000000 ] - [ 0.0205659700000000, 0.1842020900000000, -0.0899219500000000 ] - [ 0.0193757900000000, 0.1867801800000000, -0.0861679400000000 ] - [ -0.0372025300000000, -0.0855232200000000, -0.1322441600000000 ] - [ -0.0376416700000000, -0.0860198400000000, -0.1323701000000000 ] - [ -0.0376255800000000, 0.0863026700000000, 0.1323319900000000 ] - [ -0.0377933700000000, 0.0862440700000000, 0.1322775500000000 ] - [ 0.0368174000000000, -0.0859015000000000, 0.1311510300000000 ] - [ 0.0371769500000000, -0.0864220400000000, 0.1324453600000000 ] - [ 0.0377155700000000, 0.0862487600000000, -0.1322295800000000 ] - [ 0.0376126100000000, 0.0862235300000000, -0.1322659600000000 ] - [ 0.0377155700000000, 0.0862487600000000, 0.1322295800000000 ] - [ 0.0376126100000000, 0.0862235300000000, 0.1322659600000000 ] - [ 0.0368174000000000, -0.0859015000000000, -0.1311510300000000 ] - [ 0.0371769500000000, -0.0864220400000000, -0.1324453600000000 ] - [ -0.0376255800000000, 0.0863026700000000, -0.1323319900000000 ] - [ -0.0377933700000000, 0.0862440700000000, -0.1322775500000000 ] - [ -0.0372025300000000, -0.0855232200000000, 0.1322441600000000 ] - [ -0.0376416700000000, -0.0860198400000000, 0.1323701000000000 ] - [ 0.0193808300000000, 0.0202824400000000, -0.0449776600000000 ] - [ 0.0188153600000000, 0.0199335700000000, -0.0441413800000000 ] - [ 0.0196166700000000, -0.0202481800000000, 0.0448459000000000 ] - [ 0.0196337400000000, -0.0202823400000000, 0.0448906500000000 ] - [ -0.0196447000000000, 0.0198492300000000, 0.0449130500000000 ] - [ -0.0191383600000000, 0.0200394000000000, 0.0445017500000000 ] - [ -0.0197840300000000, -0.0200152200000000, -0.0435002400000000 ] - [ -0.0194303300000000, -0.0201201000000000, -0.0447552100000000 ] - [ -0.0197840300000000, -0.0200152200000000, 0.0435002400000000 ] - [ -0.0194303300000000, -0.0201201000000000, 0.0447552100000000 ] - [ -0.0196447000000000, 0.0198492300000000, -0.0449130500000000 ] - [ -0.0191383600000000, 0.0200394000000000, -0.0445017500000000 ] - [ 0.0196166700000000, -0.0202481800000000, -0.0448459000000000 ] - [ 0.0196337400000000, -0.0202823400000000, -0.0448906500000000 ] - [ 0.0193808300000000, 0.0202824400000000, 0.0449776600000000 ] - [ 0.0188153600000000, 0.0199335700000000, 0.0441413800000000 ] - [ 0.0320612800000000, -0.1876972400000000, 0.0151431800000000 ] - [ 0.0325218800000000, -0.1866795100000000, 0.0142426100000000 ] - [ 0.0324329700000000, 0.1867974500000000, -0.0144423800000000 ] - [ 0.0324966100000000, 0.1868245800000000, -0.0143660900000000 ] - [ -0.0325588000000000, -0.1861200800000000, -0.0147738700000000 ] - [ -0.0325477700000000, -0.1867667700000000, -0.0141446900000000 ] - [ -0.0325639900000000, 0.1864558900000000, 0.0134571800000000 ] - [ -0.0324636000000000, 0.1867774000000000, 0.0143226500000000 ] - [ -0.0325639900000000, 0.1864558900000000, -0.0134571800000000 ] - [ -0.0324636000000000, 0.1867774000000000, -0.0143226500000000 ] - [ -0.0325588000000000, -0.1861200800000000, 0.0147738700000000 ] - [ -0.0325477700000000, -0.1867667700000000, 0.0141446900000000 ] - [ 0.0324329700000000, 0.1867974500000000, 0.0144423800000000 ] - [ 0.0324966100000000, 0.1868245800000000, 0.0143660900000000 ] - [ 0.0320612800000000, -0.1876972400000000, -0.0151431800000000 ] - [ 0.0325218800000000, -0.1866795100000000, -0.0142426100000000 ] - [ -0.0590548000000000, 0.0440234600000000, 0.0657192800000000 ] - [ -0.0568636800000000, 0.0448493800000000, 0.0651806100000000 ] - [ -0.0587972900000000, -0.0439102500000000, -0.0655149400000000 ] - [ -0.0589216800000000, -0.0439576900000000, -0.0655613100000000 ] - [ 0.0589232300000000, 0.0440308100000000, -0.0653700200000000 ] - [ 0.0589997300000000, 0.0438265400000000, -0.0655408400000000 ] - [ 0.0587469000000000, -0.0439291600000000, 0.0656115700000000 ] - [ 0.0587119800000000, -0.0438821800000000, 0.0655558100000000 ] - [ 0.0587469000000000, -0.0439291600000000, -0.0656115700000000 ] - [ 0.0587119800000000, -0.0438821800000000, -0.0655558100000000 ] - [ 0.0589232300000000, 0.0440308100000000, 0.0653700200000000 ] - [ 0.0589997300000000, 0.0438265400000000, 0.0655408400000000 ] - [ -0.0587972900000000, -0.0439102500000000, 0.0655149400000000 ] - [ -0.0589216800000000, -0.0439576900000000, 0.0655613100000000 ] - [ -0.0590548000000000, 0.0440234600000000, -0.0657192800000000 ] - [ -0.0568636800000000, 0.0448493800000000, -0.0651806100000000 ] - [ 0.0647929500000000, -0.0376717300000000, 0.0189433700000000 ] - [ 0.0597735900000000, -0.0163280500000000, 0.0013886400000000 ] - [ 0.0596374800000000, 0.0162051500000000, -0.0014224000000000 ] - [ 0.0596722800000000, 0.0163469900000000, -0.0014510400000000 ] - [ -0.0597835000000000, -0.0163105100000000, -0.0014576900000000 ] - [ -0.0597584600000000, -0.0165062300000000, -0.0014188600000000 ] - [ -0.0592461200000000, 0.0163118700000000, 0.0012475700000000 ] - [ -0.0597552600000000, 0.0161421500000000, 0.0013731600000000 ] - [ -0.0592461200000000, 0.0163118700000000, -0.0012475700000000 ] - [ -0.0597552600000000, 0.0161421500000000, -0.0013731600000000 ] - [ -0.0597835000000000, -0.0163105100000000, 0.0014576900000000 ] - [ -0.0597584600000000, -0.0165062300000000, 0.0014188600000000 ] - [ 0.0596374800000000, 0.0162051500000000, 0.0014224000000000 ] - [ 0.0596722800000000, 0.0163469900000000, 0.0014510400000000 ] - [ 0.0647929500000000, -0.0376717300000000, -0.0189433700000000 ] - [ 0.0597735900000000, -0.0163280500000000, -0.0013886400000000 ] - [ -0.0002390600000000, 0.0709845300000000, 0.0000000000000000 ] - [ 0.0142835300000000, 0.0237182200000000, 0.0000000000000000 ] - [ 0.0142968500000000, -0.0234641100000000, 0.0000000000000000 ] - [ 0.0142750000000000, -0.0235795700000000, 0.0000000000000000 ] - [ -0.0141774500000000, 0.0237426700000000, 0.0000000000000000 ] - [ -0.0141958200000000, 0.0237350500000000, 0.0000000000000000 ] - [ -0.0144789300000000, -0.0236981800000000, 0.0000000000000000 ] - [ -0.0142492400000000, -0.0234676100000000, 0.0000000000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009240200000000, -0.0004085400000000, 0.0002815100000000 ] - [ -0.0008606400000000, -0.0000199000000000, -0.0000697500000000 ] - [ 0.0007096700000000, -0.0000560100000000, 0.0000867400000000 ] - [ 0.0008329900000000, -0.0000725200000000, 0.0000265600000000 ] - [ 0.0009025300000000, 0.0000580200000000, 0.0000883300000000 ] - [ 0.0007784900000000, 0.0000728400000000, 0.0000263100000000 ] - [ -0.0006832900000000, 0.0004024100000000, 0.0002841700000000 ] - [ -0.0007531600000000, 0.0000217700000000, -0.0000657700000000 ] - [ -0.0088516800000000, 0.0070919800000000, -0.0002786400000000 ] - [ -0.0088464000000000, 0.0070928800000000, 0.0000562200000000 ] - [ -0.0088513600000000, -0.0070922100000000, 0.0000260000000000 ] - [ -0.0088522800000000, -0.0070928100000000, 0.0000248900000000 ] - [ 0.0088520100000000, 0.0070910800000000, -0.0005127400000000 ] - [ 0.0088509900000000, 0.0070921300000000, -0.0000713200000000 ] - [ 0.0088516300000000, -0.0070914000000000, 0.0000404300000000 ] - [ 0.0088513400000000, -0.0070920100000000, 0.0001055100000000 ] - [ 0.0216772300000000, 0.1840252400000000, 0.0885909600000000 ] - [ 0.0195127600000000, 0.1867477500000000, 0.0863012100000000 ] - [ 0.0191719500000000, -0.1869166900000000, -0.0861942400000000 ] - [ 0.0193924300000000, -0.1867861100000000, -0.0862964200000000 ] - [ -0.0196268100000000, 0.1875172200000000, -0.0866170300000000 ] - [ -0.0187635600000000, 0.1869506500000000, -0.0863219900000000 ] - [ -0.0193712000000000, -0.1867122900000000, 0.0862922300000000 ] - [ -0.0192871300000000, -0.1868961300000000, 0.0861788800000000 ] - [ -0.0193541900000000, -0.1868620300000000, -0.0861560300000000 ] - [ -0.0194415500000000, -0.1866780900000000, -0.0862690800000000 ] - [ -0.0191000200000000, 0.1860609400000000, 0.0858426200000000 ] - [ -0.0199726800000000, 0.1866216000000000, 0.0861240100000000 ] - [ 0.0195538100000000, -0.1866601600000000, 0.0862562800000000 ] - [ 0.0193348400000000, -0.1867893900000000, 0.0861520000000000 ] - [ 0.0170867800000000, 0.1894846600000000, -0.0839218000000000 ] - [ 0.0192162600000000, 0.1868256300000000, -0.0861443600000000 ] - [ -0.0372520500000000, -0.0855376700000000, -0.1325127700000000 ] - [ -0.0373631400000000, -0.0861918300000000, -0.1325791700000000 ] - [ -0.0376032300000000, 0.0862411300000000, 0.1323729200000000 ] - [ -0.0377695200000000, 0.0862329500000000, 0.1322740400000000 ] - [ 0.0402875100000000, -0.0881779600000000, 0.1342717300000000 ] - [ 0.0381687800000000, -0.0859011000000000, 0.1322194800000000 ] - [ 0.0376603500000000, 0.0861989900000000, -0.1323805000000000 ] - [ 0.0376113000000000, 0.0862283200000000, -0.1323831600000000 ] - [ 0.0375677700000000, 0.0862643700000000, 0.1323246500000000 ] - [ 0.0376156200000000, 0.0862350600000000, 0.1323197600000000 ] - [ 0.0348988900000000, -0.0842582000000000, -0.1303778000000000 ] - [ 0.0370641500000000, -0.0865645600000000, -0.1324828500000000 ] - [ -0.0376248800000000, 0.0862227600000000, -0.1323324100000000 ] - [ -0.0374612900000000, 0.0862309300000000, -0.1324277500000000 ] - [ -0.0379665800000000, -0.0869110300000000, 0.1321924200000000 ] - [ -0.0378505000000000, -0.0862718900000000, 0.1321276400000000 ] - [ 0.0191979300000000, 0.0203156200000000, -0.0449829800000000 ] - [ 0.0186758500000000, 0.0203464500000000, -0.0441304800000000 ] - [ 0.0196361500000000, -0.0207323800000000, 0.0450760700000000 ] - [ 0.0196066200000000, -0.0201739700000000, 0.0449053600000000 ] - [ -0.0214412600000000, 0.0194984100000000, 0.0451776100000000 ] - [ -0.0195897500000000, 0.0201134800000000, 0.0448315700000000 ] - [ -0.0192198600000000, -0.0195950800000000, -0.0448403300000000 ] - [ -0.0195259900000000, -0.0200863500000000, -0.0448226000000000 ] - [ -0.0197324200000000, -0.0206100700000000, 0.0445090100000000 ] - [ -0.0194432300000000, -0.0201478700000000, 0.0445789500000000 ] - [ -0.0174949800000000, 0.0207394400000000, -0.0442083600000000 ] - [ -0.0193881500000000, 0.0201186500000000, -0.0445712800000000 ] - [ 0.0193347700000000, -0.0195068500000000, -0.0443301900000000 ] - [ 0.0193654900000000, -0.0200607300000000, -0.0444987900000000 ] - [ 0.0197659800000000, 0.0199164200000000, 0.0444159500000000 ] - [ 0.0202708100000000, 0.0198788400000000, 0.0452561400000000 ] - [ 0.0313526000000000, -0.1871406800000000, 0.0149854100000000 ] - [ 0.0321851300000000, -0.1866056500000000, 0.0143765700000000 ] - [ 0.0324473600000000, 0.1869128500000000, -0.0144866200000000 ] - [ 0.0324944600000000, 0.1867448800000000, -0.0144280400000000 ] - [ -0.0327032900000000, -0.1864766600000000, -0.0149384000000000 ] - [ -0.0326285200000000, -0.1868633100000000, -0.0143604300000000 ] - [ -0.0324086800000000, 0.1864929200000000, 0.0144335300000000 ] - [ -0.0325386000000000, 0.1868268900000000, 0.0144431000000000 ] - [ -0.0325903000000000, 0.1869271400000000, -0.0142531800000000 ] - [ -0.0324448400000000, 0.1866183000000000, -0.0142766200000000 ] - [ -0.0322812400000000, -0.1869681800000000, 0.0137814000000000 ] - [ -0.0323528500000000, -0.1865821900000000, 0.0143589500000000 ] - [ 0.0325369700000000, 0.1865347100000000, 0.0142357400000000 ] - [ 0.0324900200000000, 0.1867022300000000, 0.0142932500000000 ] - [ 0.0336302700000000, -0.1863041700000000, -0.0137442200000000 ] - [ 0.0327960400000000, -0.1868354200000000, -0.0143441700000000 ] - [ -0.0588949300000000, 0.0437527100000000, 0.0655553600000000 ] - [ -0.0550543300000000, 0.0438845500000000, 0.0673154600000000 ] - [ -0.0587637500000000, -0.0438359200000000, -0.0655320700000000 ] - [ -0.0588198900000000, -0.0439079600000000, -0.0654752700000000 ] - [ 0.0589494800000000, 0.0438523500000000, -0.0653861100000000 ] - [ 0.0588845900000000, 0.0439834900000000, -0.0654843100000000 ] - [ 0.0587366900000000, -0.0439051800000000, 0.0653758700000000 ] - [ 0.0588608800000000, -0.0441303000000000, 0.0653047400000000 ] - [ 0.0588638000000000, -0.0438992500000000, -0.0656131900000000 ] - [ 0.0587403800000000, -0.0436739000000000, -0.0656875000000000 ] - [ 0.0586553200000000, 0.0439609800000000, 0.0656046100000000 ] - [ 0.0587153800000000, 0.0438258200000000, 0.0655022400000000 ] - [ -0.0588388100000000, -0.0439696000000000, 0.0654571100000000 ] - [ -0.0587844200000000, -0.0439005400000000, 0.0655160200000000 ] - [ -0.0587043300000000, 0.0440500200000000, -0.0654347900000000 ] - [ -0.0625135800000000, 0.0439053500000000, -0.0637097200000000 ] - [ 0.0639199000000000, -0.0335127900000000, 0.0239979400000000 ] - [ 0.0595440600000000, -0.0162622900000000, 0.0014051000000000 ] - [ 0.0596639300000000, 0.0162821800000000, -0.0013873200000000 ] - [ 0.0595678400000000, 0.0163204900000000, -0.0013918100000000 ] - [ -0.0597447300000000, -0.0163767500000000, -0.0018407900000000 ] - [ -0.0596527000000000, -0.0161874000000000, -0.0014817600000000 ] - [ -0.0597949100000000, 0.0162936000000000, 0.0015189700000000 ] - [ -0.0596065300000000, 0.0164254300000000, 0.0014278800000000 ] - [ -0.0594666200000000, 0.0163446400000000, -0.0013578400000000 ] - [ -0.0596681700000000, 0.0162104100000000, -0.0014539100000000 ] - [ -0.0595290600000000, -0.0162634500000000, 0.0010344600000000 ] - [ -0.0596193300000000, -0.0164516400000000, 0.0013967600000000 ] - [ 0.0596085700000000, 0.0163513700000000, 0.0014919600000000 ] - [ 0.0597048700000000, 0.0163156900000000, 0.0014873500000000 ] - [ 0.0556093100000000, 0.0001332600000000, 0.0202775600000000 ] - [ 0.0597173300000000, -0.0163773000000000, -0.0014765900000000 ] - [ 0.0139604000000000, 0.0243703700000000, -0.0562352900000000 ] - [ 0.0142685600000000, 0.0235806800000000, -0.0000507100000000 ] - [ 0.0142678800000000, -0.0235782100000000, 0.0000707500000000 ] - [ 0.0142677500000000, -0.0235790900000000, 0.0000345900000000 ] - [ -0.0142670500000000, 0.0235804100000000, 0.0001919000000000 ] - [ -0.0142673400000000, 0.0235796000000000, -0.0000772300000000 ] - [ -0.0142705800000000, -0.0235805500000000, 0.0001070700000000 ] - [ -0.0142672800000000, -0.0235797800000000, 0.0000687300000000 ]